| 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 | 28.5 | Very low | 31.5 | Very low | 225 Ų | 225 | 153.6 Ų | 153.6 | 100% | 1.108 | 82% | 0.817 | S | S | * | * | 0 | 98.3 | 0 | -60.9 | 177.1 | 78 | 0 | 0 | 105 | |||||
| 2 | L | 34.8 | Very low | 31.4 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | 78.3 | 117.8 | 87.4 | -76.8 | 176.6 | 0 | 0 | 0 | 111.9 | |||||
| 3 | Q | 32 | Very low | 31.5 | Very low | 164 Ų | 164 | 153.5 Ų | 153.5 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | cis | 174 | 129.3 | -41.4 | 165 | 171.5 | 1.7 | 0 | 0 | 108 | ||||
| 4 | E | 26.8 | Very low | 31.4 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -88 | 152.4 | 164.6 | -67.6 | -160 | 158.2 | 0 | 0 | 111.6 | ||||
| 5 | P | 49 | Very low | 31.3 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -121.7 | 111.8 | 165.5 | 35.3 | -21.1 | 0 | 0 | 0 | 112.6 | ||||
| 6 | I | 28.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 151.8 Ų | 151.8 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 138 | 152.9 | -63.5 | 173.5 | 0 | 0 | 0 | 107.5 | ||||
| 7 | L | 37.5 | Very low | 31.2 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -118.9 | 127.6 | 161.8 | -78.5 | 179 | 0 | 0 | 0 | 110.7 | ||||
| 8 | H | 25.8 | Very low | 31.1 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -60.5 | 152 | 169.1 | -114.1 | -105.8 | 0 | 0 | 0 | 111.4 | ||||
| 9 | L | 29.7 | Very low | 31 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | -165.7 | 146.5 | 122.1 | -103.8 | 162.3 | 0 | 0 | 0 | 110.7 | |||||
| 10 | S | 24.8 | Very low | 30.9 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -154 | 160.5 | 176.3 | -60 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | S | 29.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 73.3 | 138.6 | -164.3 | -133.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 12 | E | 29.3 | Very low | 31.3 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | cis | -131.7 | 157.4 | 20.8 | -71.1 | -170.4 | 92.9 | 0 | 0 | 115.5 | ||||
| 13 | K | 33.3 | Very low | 31 | Very low | 162 Ų | 162 | 143 Ų | 143 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | trans | 39.9 | 114.2 | 139.4 | -64.1 | 165.2 | -174.6 | 152.8 | 0 | 121 | ||||
| 14 | E | 30 | Very low | 30.9 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | 40 | 139.8 | 116.3 | -63.3 | -168.5 | 158 | 0 | 0 | 123.3 | |||||
| 15 | N | 30.4 | Very low | 31 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | 89.5 | 110.9 | 141.1 | -82.2 | -42.6 | 0 | 0 | 0 | 121.7 | ||||
| 16 | L | 30.8 | Very low | 30.1 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | 86.4 | 113.3 | 138.5 | -60.7 | 169.9 | 0 | 0 | 0 | 121.3 | ||||
| 17 | N | 30.3 | Very low | 30.3 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 78 | 103 | 132.4 | -65.3 | -7.4 | 0 | 0 | 0 | 121.7 | ||||
| 18 | S | 28.2 | Very low | 29.9 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | 69.5 | 119.7 | 124.5 | 67.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 19 | A | 29.7 | Very low | 30.1 | Very low | 82 Ų | 82 | 147.5 Ų | 147.5 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 53 | 117.6 | 140.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 20 | F | 29.8 | Very low | 30 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | -173.9 | 134 | 97.3 | -106.3 | -77.9 | 0 | 0 | 0 | 111 | |||||
| 21 | L | 27.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -119.2 | 131.1 | 166.1 | -85.4 | 175.7 | 0 | 0 | 0 | 109.7 | ||||
| 22 | P | 38.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -119.8 | 95.4 | 159 | 33.7 | -21.1 | 0 | 0 | 0 | 112 | ||||
| 23 | N | 30.1 | Very low | 30.4 | Very low | 138 Ų | 138 | 156.1 Ų | 156.1 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | 39.9 | 129.4 | 126.7 | -87 | -19.4 | 0 | 0 | 0 | 122.6 | |||||
| 24 | I | 28.5 | Very low | 30.3 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 65% | 0.651 | 78% | 0.784 | S | S | * | * | trans | 73.4 | 114.1 | 130.9 | -59.4 | 165.8 | 0 | 0 | 0 | 118.5 | ||||
| 25 | S | 30.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 152 Ų | 152 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | -146.6 | 143.2 | 119.3 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 26 | H | 29.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -95.8 | 148.3 | -178.3 | -63.2 | -81 | 0 | 0 | 0 | 111.8 | ||||
| 27 | S | 32.3 | Very low | 30.4 | Very low | 132 Ų | 132 | 152.8 Ų | 152.8 | 92% | 0.923 | 79% | 0.788 | S | S | * | * | -162.4 | 156.3 | 122.1 | -96.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 28 | R | 28.1 | Very low | 30.5 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -150.9 | 110.5 | -172.5 | 177.9 | -163.5 | -167.1 | -154.2 | 8.3 | 110 | ||||
| 29 | R | 30.1 | Very low | 31 | Very low | 247 Ų | 247 | 154.1 Ų | 154.1 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | trans | -171.5 | 149.3 | 145.8 | -105.8 | 155.8 | -161.4 | -153.4 | 5.8 | 114.5 | ||||
| 30 | R | 27.3 | Very low | 31.3 | Very low | 230 Ų | 230 | 158.5 Ų | 158.5 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -53.6 | 158.7 | 170.4 | -52.6 | 161.7 | 173.7 | 167.8 | -5.8 | 112.6 | ||||
| 31 | I | 34 | Very low | 31.5 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | -163.5 | 147.3 | 111.7 | -99.4 | 155.7 | 0 | 0 | 0 | 112.6 | |||||
| 32 | D | 28.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 60% | 0.604 | 78% | 0.784 | S | S | * | * | trans | -45.9 | 160.6 | -178.5 | -79.2 | 12.6 | 0 | 0 | 0 | 121.9 | ||||
| 33 | K | 31.5 | Very low | 31.3 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | 88.2 | 172.4 | 140.9 | -78.2 | 156.8 | -169.2 | 130.2 | 0 | 119.9 | ||||
| 34 | S | 30.7 | Very low | 31 | Very low | 94 Ų | 94 | 157.1 Ų | 157.1 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -158.6 | 156 | -135.4 | 56 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 35 | N | 28.7 | Very low | 31.1 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 74.1 | 136.1 | 169.7 | -51.7 | -6.2 | 0 | 0 | 0 | 114.2 | ||||
| 36 | T | 32.6 | Very low | 31 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | -153.4 | 159.8 | 64.3 | 35.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 37 | E | 32.5 | Very low | 31.2 | Very low | 169 Ų | 169 | 157 Ų | 157 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 65.2 | 148.2 | 142.5 | -75.5 | 166.4 | -133.8 | 0 | 0 | 121.2 | ||||
| 38 | D | 32.8 | Very low | 30.8 | Very low | 98 Ų | 98 | 156.6 Ų | 156.6 | 52% | 0.524 | 78% | 0.78 | S | S | . | * | cis | -165 | 130.2 | -22.4 | -155.6 | 33.9 | 0 | 0 | 0 | 111.1 | K40 | D38-K40 WeakPolarHBondContact OD2-CE 3.32Å; D38-K40 IonicContact OD2-NZ 3.7Å; D38-K40 PolarHBondContact OD2-NZ 3.39Å | ||
| 39 | I | 38.3 | Very low | 30.9 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -141.2 | 135.5 | 156.9 | -63.7 | -172.7 | 0 | 0 | 0 | 108.3 | ||||
| 40 | K | 35.7 | Very low | 31 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -102 | 143.3 | -162.7 | -70.2 | 169.3 | 171.3 | 107 | 0 | 113.7 | D38 | D38-K40 WeakPolarHBondContact OD2-CE 3.32Å; D38-K40 IonicContact OD2-NZ 3.7Å; D38-K40 PolarHBondContact OD2-NZ 3.39Å | ||
| 41 | G | 34.6 | Very low | 31 | Very low | 77 Ų | 77 | 150.9 Ų | 150.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -152.7 | 114.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 42 | L | 30.9 | Very low | 31.3 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -62 | 160.8 | -179.6 | -89.3 | 65.3 | 0 | 0 | 0 | 113.9 | ||||
| 43 | C | 29.9 | Very low | 31.3 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -167.8 | 162.3 | -18.2 | -163.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 44 | R | 24.4 | Very low | 31.2 | Very low | 242 Ų | 242 | 146.8 Ų | 146.8 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -92.3 | 143.5 | 158 | -86.9 | -175.3 | 174 | 178.6 | -1.2 | 110.3 | ||||
| 45 | V | 30.2 | Very low | 31 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -146 | 137.2 | 157.4 | -179 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 46 | S | 29.5 | Very low | 31.3 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -144 | 115.1 | 163.8 | -66.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 47 | Q | 32.2 | Very low | 31.2 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -177.4 | 131.3 | 135.7 | -109.3 | 177.8 | -75.4 | 0 | 0 | 115 | ||||
| 48 | E | 25.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 58% | 0.575 | 79% | 0.791 | S | S | * | * | trans | 59.4 | 136.9 | 135.9 | -89.1 | -175.1 | 98.5 | 0 | 0 | 125.9 | ||||
| 49 | R | 29.9 | Very low | 31.4 | Very low | 210 Ų | 210 | 149.8 Ų | 149.8 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | 72.4 | 102.3 | 148.4 | -65.9 | 173.6 | -157.7 | -175.8 | 11.9 | 120.4 | ||||
| 50 | K | 31 | Very low | 31.2 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | -161.7 | 138.6 | 106 | -108.7 | 171.4 | -177.4 | 176.7 | 0 | 112.5 | |||||
| 51 | M | 27.4 | Very low | 30.9 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | -91.1 | 153.3 | 153.5 | -79.4 | -74.7 | -168.7 | 0 | 0 | 108.2 | ||||
| 52 | P | 40.6 | Very low | 30.8 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -132.8 | 167.6 | 112.3 | 38.1 | -30.5 | 0 | 0 | 0 | 112.9 | |||||
| 53 | A | 28.4 | Very low | 30.8 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 155.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 54 | L | 30.3 | Very low | 30.7 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -133.9 | 120.2 | 145.9 | -97.1 | 175 | 0 | 0 | 0 | 109.1 | ||||
| 55 | S | 25.9 | Very low | 31 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -115.8 | 132.5 | 161.7 | 53 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 56 | T | 34.6 | Very low | 31 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -142.1 | 102.6 | 173.7 | -49.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 57 | T | 31.2 | Very low | 31 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -81.8 | 159.5 | 159.6 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 58 | P | 40.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -116.1 | 161.2 | 131.3 | 33.4 | -31.9 | 0 | 0 | 0 | 111.7 | ||||
| 59 | R | 28.2 | Very low | 31.5 | Very low | 196 Ų | 196 | 141 Ų | 141 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | trans | -136.4 | 130.7 | -169.9 | 154.9 | -175 | 162.6 | -174.1 | -3.7 | 109 | Q61 | R59-Q61 VanDerWaalsContact CZ-OE1 3.26Š| ||
| 60 | T | 34 | Very low | 31.5 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -134.6 | 137.3 | 163.5 | 31.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 61 | Q | 29 | Very low | 31.7 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -108.7 | 150 | -175 | -68.7 | 166.4 | -107.4 | 0 | 0 | 110.4 | R59 | R59-Q61 VanDerWaalsContact CZ-OE1 3.26Š| ||
| 62 | G | 32.6 | Very low | 31.7 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -151.4 | 35.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 63 | H | 31 | Very low | 31.1 | Very low | 169 Ų | 169 | 132 Ų | 132 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | 50.8 | 120.1 | 157.6 | -72 | 89.5 | 0 | 0 | 0 | 122.4 | ||||
| 64 | C | 28.2 | Very low | 31 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 70.9 | 154.5 | 139.7 | -61.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 65 | R | 29.8 | Very low | 30.7 | Very low | 232 Ų | 232 | 136 Ų | 136 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | cis | -157.2 | 148.9 | 2.9 | -134.2 | 174.8 | -175.6 | -162.6 | 1.7 | 110.8 | ||||
| 66 | S | 31.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 45.2 | 91.5 | 153.6 | -174.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 67 | G | 30.1 | Very low | 30.8 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | 126.1 | -175.3 | 87.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 68 | S | 33.1 | Very low | 31.1 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | cis | -168.3 | 147.1 | -10.9 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 69 | T | 33.4 | Very low | 30.4 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | 54.7 | 132.8 | 169.1 | 51.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 70 | N | 31.6 | Very low | 30.5 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -158 | 150.4 | 6 | -111.6 | -6.9 | 0 | 0 | 0 | 111.9 | ||||
| 71 | T | 34.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 45.1 | 109.1 | 153.8 | 56.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 72 | D | 26.9 | Very low | 30.3 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | cis | 59.8 | 139 | 42.7 | -94.7 | -33.6 | 0 | 0 | 0 | 114.9 | ||||
| 73 | S | 29.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | cis | -156.1 | 174.5 | 12.7 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 74 | L | 24.5 | Very low | 30 | Very low | 155 Ų | 155 | 135 Ų | 135 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -113.1 | 154.3 | 169.5 | -81.4 | 167.2 | 0 | 0 | 0 | 111.9 | ||||
| 75 | F | 25.4 | Very low | 30.1 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | 52.6 | 114.4 | 150.6 | -102.5 | -97.1 | 0 | 0 | 0 | 121.5 | ||||
| 76 | V | 29.5 | Very low | 30 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | -144.9 | 137.5 | 143.6 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 77 | R | 33.4 | Very low | 29.8 | Very low | 232 Ų | 232 | 140.2 Ų | 140.2 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -146.7 | 160.4 | 154.2 | -115.2 | -173.5 | 176.8 | -169.7 | 0.7 | 105.3 | ||||
| 78 | P | 36.8 | Very low | 29.8 | Very low | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -158.6 | -164.6 | 49.4 | 43.1 | -19.3 | 0 | 0 | 0 | 117.7 | ||||
| 79 | N | 26.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 78.3 | 99.4 | 142.5 | -75 | -1.1 | 0 | 0 | 0 | 125.8 | ||||
| 80 | S | 29.9 | Very low | 29.4 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | 102.7 | 146.9 | 100.1 | 81.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 81 | Q | 30.1 | Very low | 29.1 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 70.9 | 149.2 | 157.5 | -62.4 | -154.1 | 12.2 | 0 | 0 | 118.7 | ||||
| 82 | V | 29.2 | Very low | 29.1 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | cis | -161.3 | 144.7 | -10.1 | 120.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | S | 29.1 | Very low | 29.2 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 46.3 | 169.5 | 153.4 | -62.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 84 | A | 27.2 | Very low | 29.1 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | -176.8 | 134.5 | -40.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 85 | K | 29.8 | Very low | 29.3 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | -173.6 | 118.2 | 149 | -106.6 | 156.8 | 178 | 172.6 | 0 | 110.1 | ||||
| 86 | L | 28.7 | Very low | 29.5 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | 65.3 | 114.7 | 98.4 | -88.6 | 76.2 | 0 | 0 | 0 | 114 | |||||
| 87 | R | 26.6 | Very low | 29.5 | Very low | 238 Ų | 238 | 132.2 Ų | 132.2 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | 75.5 | 144.5 | 77.6 | -83.1 | -166.4 | 173.1 | -171.6 | -1.7 | 113.2 | |||||
| 88 | A | 29.9 | Very low | 29.6 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | cis | -167.1 | -176.9 | -14.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 89 | A | 29.1 | Very low | 29.5 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 87% | 0.868 | 73% | 0.727 | S | S | * | * | cis | -150.1 | -173 | 3.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 90 | G | 29.3 | Very low | 29.5 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | cis | -145.4 | -174.2 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 91 | E | 25.2 | Very low | 29.8 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | cis | 63.7 | 148.7 | 30.7 | -86.9 | -129.8 | 126.1 | 0 | 0 | 115 | ||||
| 92 | P | 35.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | cis | -139.6 | 155.7 | 16.4 | 41.7 | -23.5 | 0 | 0 | 0 | 119.4 | ||||
| 93 | T | 27.6 | Very low | 29.9 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 59% | 0.589 | 71% | 0.711 | S | S | * | * | trans | 37.6 | 126.1 | 136.9 | 72.4 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 94 | L | 28.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 132 Ų | 132 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | 57.4 | 119.7 | 119.3 | -58.9 | 171.9 | 0 | 0 | 0 | 123.8 | |||||
| 95 | K | 28.1 | Very low | 30.1 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | 160 | 129.5 | 102.7 | -98.6 | 140.9 | -177.7 | 175.4 | 0 | 116.9 | T728 | K95-T728 CarbonylContact C-O 3.5Å; K95-T728 VanDerWaalsContact C-O 3.27Å; K95-T728 PolarHBondContact N-O 3Å | |||
| 96 | K | 29.6 | Very low | 30.1 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 70% | 0.7 | 71% | 0.707 | S | S | * | * | trans | 68 | 99.9 | 134.8 | -73 | -171.6 | 172.5 | -169.9 | 0 | 123.5 | T728 | K96-T728 PolarHBondContact N-O 3.26Š| ||
| 97 | S | 30.4 | Very low | 30.1 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | 68.6 | 124.7 | 119.1 | 66 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 98 | S | 34.2 | Very low | 30.1 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | trans | 67.8 | 147.6 | 143 | -72.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 99 | S | 34.7 | Very low | 30.1 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | cis | -169.8 | 147.5 | -17.9 | 61.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 100 | Y | 27.4 | Very low | 30.1 | Very low | 214 Ų | 214 | 129.7 Ų | 129.7 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | trans | 56.2 | 142.7 | 161.3 | -62.9 | -65.7 | 0 | 0 | 0 | 117.7 | ||||
| 101 | Q | 35.6 | Very low | 30.1 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | cis | -148.8 | -159.4 | 12.4 | -129.3 | 171.7 | 27.8 | 0 | 0 | 107.6 | ||||
| 102 | N | 29.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 56% | 0.556 | 72% | 0.721 | S | S | * | * | cis | -151.9 | -171.8 | 13.3 | -139.6 | -27.1 | 0 | 0 | 0 | 114.9 | ||||
| 103 | I | 31.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 131 Ų | 131 | 58% | 0.579 | 72% | 0.724 | S | S | * | * | trans | -82.4 | 141 | -169.3 | -65.9 | 154.9 | 0 | 0 | 0 | 115.8 | I105 | I103-I105 HydrophobicContact CG2-CD1 3.89Å; I103-I105 HydrophobicContact CG2-CG1 3.98Å | ||
| 104 | K | 30.8 | Very low | 30.3 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | -178.6 | 151 | 118.5 | -95.4 | -174.1 | 179.3 | 178.7 | 0 | 108.9 | |||||
| 105 | I | 29.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | cis | 162.8 | 149.4 | -19.8 | -104.7 | 175.6 | 0 | 0 | 0 | 104.4 | I103 | I103-I105 HydrophobicContact CG2-CD1 3.89Å; I103-I105 HydrophobicContact CG2-CG1 3.98Å | ||
| 106 | A | 31.4 | Very low | 30.5 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | 81.3 | 105.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 107 | N | 27.7 | Very low | 30.7 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | 62.1 | 134.6 | 123.7 | -67 | 3.7 | 0 | 0 | 0 | 124.6 | |||||
| 108 | N | 26.6 | Very low | 30.6 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | 65.3 | 133.3 | 141.6 | -68 | -3.1 | 0 | 0 | 0 | 121.2 | ||||
| 109 | G | 29.5 | Very low | 30.5 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | 120 | 95.6 | 134.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 110 | K | 29.4 | Very low | 30.3 | Very low | 219 Ų | 219 | 140.2 Ų | 140.2 | 95% | 0.952 | 76% | 0.763 | S | S | * | * | trans | -4.5 | 136 | 154.6 | -60.4 | 174.8 | 175.9 | -179.2 | 0 | 118 | ||||
| 111 | G | 30.8 | Very low | 30.3 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 138.3 | 96.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 112 | Q | 29.8 | Very low | 30.1 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -93.9 | 150.9 | 137.6 | -65.2 | 178.8 | -9.2 | 0 | 0 | 106.6 | ||||
| 113 | A | 32.3 | Very low | 30.3 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -146.8 | 170.2 | 6.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 114 | M | 30.2 | Very low | 30.8 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 16.4 | 120.8 | 154.6 | -53.7 | -54.8 | -170 | 0 | 0 | 119.8 | ||||
| 115 | H | 31.7 | Very low | 30.9 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | 179.6 | 137.5 | 106.3 | -98.6 | -75.5 | 0 | 0 | 0 | 112.3 | |||||
| 116 | S | 29.1 | Very low | 31 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -101.7 | 160.9 | 160.3 | -50.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 117 | S | 33.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | cis | -158.5 | 133.1 | 10.1 | 44.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 118 | N | 28.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | 85.5 | 152.9 | 88.2 | -157.7 | 14.8 | 0 | 0 | 0 | 115.7 | |||||
| 119 | L | 30.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | 73.9 | 162.9 | 178.4 | -61.1 | 143.7 | 0 | 0 | 0 | 117.9 | ||||
| 120 | Q | 30.7 | Very low | 31.8 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | -169.4 | 145.9 | -74.2 | -110.2 | -172.6 | -47.5 | 0 | 0 | 112.2 | |||||
| 121 | V | 28.5 | Very low | 31.9 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | 62.7 | 129 | 147.4 | -179.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 122 | T | 30.4 | Very low | 32.2 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | -171.3 | 160.3 | 67.6 | -29.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 123 | Q | 33.7 | Very low | 32.4 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -96.6 | 164.4 | 159.9 | -61 | -171.8 | -6.2 | 0 | 0 | 111.3 | ||||
| 124 | P | 41.7 | Very low | 32.5 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | -149.9 | 175 | 90.8 | 38.2 | -20.1 | 0 | 0 | 0 | 115.5 | |||||
| 125 | G | 32.3 | Very low | 32.6 | Very low | 64 Ų | 64 | 147.6 Ų | 147.6 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | -154.7 | 175.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 126 | K | 31.7 | Very low | 32.7 | Very low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | trans | -173.3 | 158.6 | 173.4 | -111.9 | 156.7 | -171.6 | 171.5 | 0 | 115.2 | ||||
| 127 | R | 32.8 | Very low | 32.8 | Very low | 239 Ų | 239 | 147.2 Ų | 147.2 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | 77.8 | 151 | 170.4 | -60.1 | 177 | 173.2 | 178.8 | -2.7 | 117.4 | ||||
| 128 | K | 33.5 | Very low | 32.7 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | cis | -173.9 | 158.9 | -45.5 | -119.9 | -172.4 | 178.3 | -169.7 | 0 | 110.1 | ||||
| 129 | N | 30.5 | Very low | 32.6 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 72.1 | 148.4 | 168.9 | -62.3 | 2.9 | 0 | 0 | 0 | 117.1 | ||||
| 130 | L | 34.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | cis | -161.4 | 139.3 | -14.3 | -110.4 | 168.3 | 0 | 0 | 0 | 110.5 | ||||
| 131 | N | 32.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 43.8 | 145 | 147.1 | -71.2 | 1.3 | 0 | 0 | 0 | 123 | ||||
| 132 | S | 36.1 | Very low | 32.7 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | -161.8 | 144.7 | 3.5 | 49.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 133 | K | 35.1 | Very low | 33 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | 63.7 | 122.3 | 143.7 | -77.3 | -175.1 | 176.9 | 179.4 | 0 | 122.8 | ||||
| 134 | Q | 34.5 | Very low | 33 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 71.7 | 144.2 | 140.2 | -62.3 | -178.7 | -55.2 | 0 | 0 | 118.3 | ||||
| 135 | K | 32.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | cis | -156.9 | 144.3 | -8.4 | -126.4 | -175 | 169.8 | -161.3 | 0 | 111.3 | ||||
| 136 | H | 32.6 | Very low | 32.6 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 61% | 0.606 | 76% | 0.764 | S | S | * | * | trans | 50.1 | 123.9 | 157.1 | -61.5 | -55.5 | 0 | 0 | 0 | 122.9 | ||||
| 137 | H | 32.3 | Very low | 32.4 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | trans | 38.5 | 99.1 | 134.9 | -46.7 | -55.5 | 0 | 0 | 0 | 118.8 | ||||
| 138 | S | 29.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | 87.2 | 86.3 | 61 | 73.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 139 | S | 27.4 | Very low | 32.3 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | trans | -138.8 | 133.9 | 139.6 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 140 | A | 34.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -151.6 | 121 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 141 | A | 29.4 | Very low | 32.3 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | -111.1 | 171.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 142 | N | 29.1 | Very low | 32.1 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | 81.1 | 152.4 | 157.7 | -60.3 | -23.4 | 0 | 0 | 0 | 120.2 | ||||
| 143 | I | 36.7 | Very low | 31.7 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -96.6 | 159.1 | -176.8 | -62 | 151.4 | 0 | 0 | 0 | 108.9 | ||||
| 144 | P | 34.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -124.4 | 135.9 | 134.9 | 10 | 10.5 | 0 | 0 | 0 | 112.3 | ||||
| 145 | T | 32.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | 59.4 | 136.6 | 73.1 | -5.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 146 | V | 31.4 | Very low | 31.2 | Very low | 127 Ų | 127 | 129 Ų | 129 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | cis | -149.9 | 162.8 | 36.1 | -177.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 147 | C | 28 | Very low | 31 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | -50.7 | 171.8 | 175.7 | -43.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 148 | S | 31.8 | Very low | 31.5 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | 179.9 | 156.1 | 66.8 | -54.9 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 149 | K | 33.6 | Very low | 31.6 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 73.2 | 149.1 | 151.5 | -72.3 | 166.1 | -177.4 | 179.9 | 0 | 120.4 | ||||
| 150 | N | 30.1 | Very low | 31.7 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | cis | -172 | 165.5 | -28.4 | -114.1 | 24.1 | 0 | 0 | 0 | 111.2 | ||||
| 151 | A | 33.5 | Very low | 31.5 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 71.6 | 147.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 152 | E | 29 | Very low | 31.5 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -157.6 | 159.6 | -7.1 | -121.1 | 178.9 | 156.5 | 0 | 0 | 113.2 | ||||
| 153 | L | 29 | Very low | 31.5 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 43.6 | 117.8 | 155.7 | -60.8 | 171.7 | 0 | 0 | 0 | 122.6 | ||||
| 154 | T | 32.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 93% | 0.933 | 77% | 0.772 | S | S | * | * | 173.9 | 177.5 | 114 | 32.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 155 | S | 27 | Very low | 31.5 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -134.5 | 179.3 | -165.5 | 60.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 156 | S | 32.1 | Very low | 32 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | 95 | 171.9 | 174.5 | 79.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 157 | E | 27.5 | Very low | 32.5 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -128.6 | -163 | -135.8 | -143.2 | -159 | 128.4 | 0 | 0 | 113.7 | ||||
| 158 | P | 43.1 | Very low | 33.3 | Very low | 92 Ų | 92 | 139 Ų | 139 | 60% | 0.597 | 76% | 0.755 | S | S | * | * | -115.7 | 175 | -117.2 | 42.4 | -28.1 | 0 | 0 | 0 | 115.4 | |||||
| 159 | H | 32.4 | Very low | 33.9 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -149 | 163.7 | 157.5 | -119.2 | 54.3 | 0 | 0 | 0 | 116 | ||||
| 160 | F | 28.2 | Very low | 34.6 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | trans | -74.3 | 157.4 | -168.5 | -81 | -113.8 | 0 | 0 | 0 | 115.2 | ||||
| 161 | Q | 29.8 | Very low | 35.5 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -157.1 | 91.2 | 141.5 | -159.8 | 68.9 | 9.2 | 0 | 0 | 113 | ||||
| 162 | T | 30.3 | Very low | 36.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | -130.3 | 44.1 | 179.3 | 42.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 163 | H | 28.8 | Very low | 38.2 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | trans | -116 | 60.7 | -174.7 | -81.2 | -77.2 | 0 | 0 | 0 | 115.1 | ||||
| 164 | L | 33.5 | Very low | 40.1 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 93% | 0.932 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -139.3 | 17.5 | 174 | -83.2 | -176.6 | 0 | 0 | 0 | 116.6 | ||
| 165 | N | 37.9 | Very low | 41.7 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -128.8 | 9.8 | -175.7 | -144.2 | 5.8 | 0 | 0 | 0 | 116.5 | ||
| 166 | T | 43.6 | Very low | 43.6 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 57% | 0.571 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -87 | -36.7 | -176.1 | 51 | 0 | 0 | 0 | 0 | 114.3 | S168 N169 A170 | T166-S168 PolarHBondContact O-N 2.95Å; T166-N169 PolarHBondContact O-N 3.48Å; T166-A170 PolarHBondContact O-N 2.67Å |
| 167 | H | 40 | Very low | 45.6 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.6 | -27.3 | -169.5 | -76.9 | 60.8 | 0 | 0 | 0 | 114 | ||
| 168 | S | 44.7 | Very low | 47.9 | Very low | 77 Ų | 77 | 119 Ų | 119 | 54% | 0.538 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.4 | -43.4 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | T166 R172 | T166-S168 PolarHBondContact O-N 2.95Å; S168-R172 PolarHBondContact O-N 2.8Å |
| 169 | N | 44.6 | Very low | 49.8 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.4 | -39.9 | -176.8 | -78.3 | -26.5 | 0 | 0 | 0 | 112.8 | T166 H171 R172 I173 | T166-N169 PolarHBondContact O-N 3.48Å; N169-H171 VanDerWaalsContact C-N 3.28Å; N169-H171 PolarHBondContact O-N 3.32Å; N169-R172 PolarHBondContact O-N 2.91Å; N169-R172 VanDerWaalsContact O-N 3.17Å; N169-I173 VanDerWaalsContact O-CG1 3.31Å; N169-I173 WeakPolarHBondContact O-CG1 3.26Å; N169-I173 PolarHBondContact O-N 3.4Å |
| 170 | A | 49.3 | Very low | 52.1 | Low | 63 Ų | 63 | 115.9 Ų | 115.9 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -55.2 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T166 R172 I173 S174 | T166-A170 PolarHBondContact O-N 2.67Å; A170-R172 PolarHBondContact O-N 2.92Å; A170-I173 PolarHBondContact O-N 3.04Å; A170-S174 PolarHBondContact O-N 3.35Å; A170-S174 VanDerWaalsContact O-N 3.09Å |
| 171 | H | 48.8 | Very low | 54.7 | Low | 137 Ų | 137 | 111 Ų | 111 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.2 | -32.5 | -178.7 | -149 | -30.6 | 0 | 0 | 0 | 112.9 | N169 V175 | N169-H171 VanDerWaalsContact C-N 3.28Å; N169-H171 PolarHBondContact O-N 3.32Å; H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3.27Å |
| 172 | R | 55.3 | Low | 57.3 | Low | 169 Ų | 169 | 109.8 Ų | 109.8 | 64% | 0.638 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.4 | -37.1 | 174.2 | -63.8 | -173.3 | 76.9 | -170.2 | 4.2 | 112.5 | S168 N169 A170 V175 N176 | S168-R172 PolarHBondContact O-N 2.8Å; N169-R172 PolarHBondContact O-N 2.91Å; N169-R172 VanDerWaalsContact O-N 3.17Å; A170-R172 PolarHBondContact O-N 2.92Å; R172-V175 PolarHBondContact O-N 2.75Å; R172-N176 WeakPolarHBondContact O-CB 3.44Å; R172-N176 VanDerWaalsContact O-CG 3.26Å; R172-N176 PolarHBondContact O-N 3.3Å; R172-N176 PolarHBondContact O-OD1 2.83Å |
| 173 | I | 64.9 | Low | 60 | Low | 118 Ų | 118 | 108.4 Ų | 108.4 | 61% | 0.605 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.6 | -43.9 | 176.5 | -67.7 | 163.8 | 0 | 0 | 0 | 110.5 | N169 A170 N176 S177 | N169-I173 VanDerWaalsContact O-CG1 3.31Å; N169-I173 WeakPolarHBondContact O-CG1 3.26Å; N169-I173 PolarHBondContact O-N 3.4Å; A170-I173 PolarHBondContact O-N 3.04Å; I173-N176 PolarHBondContact O-N 2.91Å; I173-S177 WeakPolarHBondContact O-CB 3.29Å; I173-S177 PolarHBondContact O-N 2.71Å |
| 174 | S | 67.7 | Low | 62.6 | Low | 59 Ų | 59 | 105.2 Ų | 105.2 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.1 | -51.6 | 173.7 | 156.6 | 0 | 0 | 0 | 0 | 112.3 | A170 N176 S177 D178 | A170-S174 PolarHBondContact O-N 3.35Å; A170-S174 VanDerWaalsContact O-N 3.09Å; S174-N176 VanDerWaalsContact C-N 3.32Å; S174-N176 PolarHBondContact O-N 2.86Å; S174-S177 WeakPolarHBondContact O-CB 3.12Å; S174-S177 PolarHBondContact O-N 2.76Å; S174-S177 VanDerWaalsContact O-N 3.09Å; S174-D178 PolarHBondContact O-N 2.68Å |
| 175 | V | 66.2 | Low | 65.2 | Low | 69 Ų | 69 | 103.7 Ų | 103.7 | 42% | 0.418 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | -179.3 | 170.8 | 0 | 0 | 0 | 0 | 112 | H171 R172 L179 | H171-V175 WeakPolarHBondContact O-CG2 3.47Å; H171-V175 PolarHBondContact O-N 3.27Å; R172-V175 PolarHBondContact O-N 2.75Å; V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CB 3.21Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.28Å |
| 176 | N | 66.7 | Low | 67.5 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 174.6 | -73.4 | -0.3 | 0 | 0 | 0 | 112.1 | R172 I173 S174 L179 L180 | R172-N176 WeakPolarHBondContact O-CB 3.44Å; R172-N176 VanDerWaalsContact O-CG 3.26Å; R172-N176 PolarHBondContact O-N 3.3Å; R172-N176 PolarHBondContact O-OD1 2.83Å; I173-N176 PolarHBondContact O-N 2.91Å; S174-N176 VanDerWaalsContact C-N 3.32Å; S174-N176 PolarHBondContact O-N 2.86Å; N176-L179 PolarHBondContact O-N 3.49Å; N176-L180 WeakPolarHBondContact O-CB 3.4Å; N176-L180 PolarHBondContact O-N 3.19Å |
| 177 | S | 75.1 | Confident | 69.6 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 177.1 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | I173 S174 L180 S181 | I173-S177 WeakPolarHBondContact O-CB 3.29Å; I173-S177 PolarHBondContact O-N 2.71Å; S174-S177 WeakPolarHBondContact O-CB 3.12Å; S174-S177 PolarHBondContact O-N 2.76Å; S174-S177 VanDerWaalsContact O-N 3.09Å; S177-L180 PolarHBondContact O-N 2.81Å; S177-S181 VanDerWaalsContact O-CB 3.24Å; S177-S181 WeakPolarHBondContact O-CB 3.15Å; S177-S181 PolarHBondContact O-N 3.44Å; S177-S181 PolarHBondContact O-OG 2.81Å |
| 178 | D | 76.1 | Confident | 72 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 57% | 0.567 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -38.5 | 175.8 | -81.8 | -39.9 | 0 | 0 | 0 | 112.5 | S174 R182 | S174-D178 PolarHBondContact O-N 2.68Å; D178-R182 WeakPolarHBondContact O-CB 3.1Å; D178-R182 PolarHBondContact O-N 2.89Å; D178-R182 VanDerWaalsContact O-N 3.09Å |
| 179 | L | 81.3 | Confident | 74.2 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 173.7 | -78.1 | 168.2 | 0 | 0 | 0 | 111.5 | V175 N176 S181 R182 V183 | V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CB 3.21Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.28Å; N176-L179 PolarHBondContact O-N 3.49Å; L179-S181 PolarHBondContact O-N 3.24Å; L179-R182 WeakPolarHBondContact O-CB 3.48Å; L179-R182 PolarHBondContact O-N 3.47Å; L179-R182 VanDerWaalsContact O-N 3.08Å; L179-V183 WeakPolarHBondContact O-CG2 3.37Å; L179-V183 PolarHBondContact O-N 3.21Å |
| 180 | L | 81.6 | Confident | 76.2 | Confident | 115 Ų | 115 | 106.8 Ų | 106.8 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 178.3 | -165.2 | 71.1 | 0 | 0 | 0 | 110.9 | N176 S177 R182 V183 E184 | N176-L180 WeakPolarHBondContact O-CB 3.4Å; N176-L180 PolarHBondContact O-N 3.19Å; S177-L180 PolarHBondContact O-N 2.81Å; L180-R182 PolarHBondContact O-N 2.8Å; L180-R182 VanDerWaalsContact O-N 3.11Å; L180-V183 PolarHBondContact O-N 2.89Å; L180-E184 PolarHBondContact O-N 2.73Å |
| 181 | S | 83.1 | Confident | 78.1 | Confident | 56 Ų | 56 | 108 Ų | 108 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -23 | 175.2 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | S177 L179 R185 | S177-S181 VanDerWaalsContact O-CB 3.24Å; S177-S181 WeakPolarHBondContact O-CB 3.15Å; S177-S181 PolarHBondContact O-N 3.44Å; S177-S181 PolarHBondContact O-OG 2.81Å; L179-S181 PolarHBondContact O-N 3.24Å; S181-R185 PolarHBondContact O-NE 2.96Å; S181-R185 PolarHBondContact O-NH2 3.38Å |
| 182 | R | 83.6 | Confident | 80 | Confident | 148 Ų | 148 | 104.4 Ų | 104.4 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -85.2 | -45.5 | 175.4 | -172.9 | 174 | -169.8 | 143.1 | 3.1 | 112 | D178 L179 L180 E184 R185 E186 | D178-R182 WeakPolarHBondContact O-CB 3.1Å; D178-R182 PolarHBondContact O-N 2.89Å; D178-R182 VanDerWaalsContact O-N 3.09Å; L179-R182 WeakPolarHBondContact O-CB 3.48Å; L179-R182 PolarHBondContact O-N 3.47Å; L179-R182 VanDerWaalsContact O-N 3.08Å; L180-R182 PolarHBondContact O-N 2.8Å; L180-R182 VanDerWaalsContact O-N 3.11Å; R182-E184 VanDerWaalsContact C-N 3.3Å; R182-E184 PolarHBondContact O-N 2.97Å; R182-R185 PolarHBondContact O-N 3.48Å; R182-E186 WeakPolarHBondContact CG-OE1 3.09Å; R182-E186 IonicContact NE-OE1 2.91Å; R182-E186 PolarHBondContact NE-OE1 2.77Å; R182-E186 VanDerWaalsContact NE-OE1 3.17Å; R182-E186 PolarHBondContact O-N 2.84Å |
| 183 | V | 87 | Confident | 81.6 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 174 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L179 L180 R185 E186 K187 | L179-V183 WeakPolarHBondContact O-CG2 3.37Å; L179-V183 PolarHBondContact O-N 3.21Å; L180-V183 PolarHBondContact O-N 2.89Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 3.36Å; V183-E186 PolarHBondContact O-N 2.78Å; V183-K187 VanDerWaalsContact O-CB 3.23Å; V183-K187 WeakPolarHBondContact O-CB 3.15Å; V183-K187 PolarHBondContact O-N 3.02Å |
| 184 | E | 84.9 | Confident | 82.8 | Confident | 78 Ų | 78 | 102.7 Ų | 102.7 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -31.7 | 179.3 | -146.3 | 66.2 | -133.6 | 0 | 0 | 112.8 | L180 R182 K187 K188 | L180-E184 PolarHBondContact O-N 2.73Å; R182-E184 VanDerWaalsContact C-N 3.3Å; R182-E184 PolarHBondContact O-N 2.97Å; E184-K187 WeakPolarHBondContact OE1-CD 3.49Å; E184-K187 WeakPolarHBondContact OE1-CE 3.1Å; E184-K187 IonicContact OE1-NZ 3.86Å; E184-K187 PolarHBondContact OE1-NZ 3.38Å; E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.3Å; E184-K188 VanDerWaalsContact O-N 3.08Å |
| 185 | R | 87.5 | Confident | 83.9 | Confident | 147 Ų | 147 | 103.5 Ų | 103.5 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.9 | -42.5 | 174.1 | -86.5 | -178.5 | -78.6 | 99.8 | -2.8 | 112.6 | S181 R182 V183 K188 Q189 | S181-R185 PolarHBondContact O-NE 2.96Å; S181-R185 PolarHBondContact O-NH2 3.38Å; R182-R185 PolarHBondContact O-N 3.48Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 3.36Å; R185-K188 PolarHBondContact O-N 3.22Å; R185-Q189 PolarHBondContact O-N 2.78Å |
| 186 | E | 84.8 | Confident | 85.1 | Confident | 80 Ų | 80 | 104.8 Ų | 104.8 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 176.6 | -71.2 | 171.4 | -160.9 | 0 | 0 | 110.1 | R182 V183 Q189 Y190 | R182-E186 WeakPolarHBondContact CG-OE1 3.09Å; R182-E186 IonicContact NE-OE1 2.91Å; R182-E186 PolarHBondContact NE-OE1 2.77Å; R182-E186 VanDerWaalsContact NE-OE1 3.17Å; R182-E186 PolarHBondContact O-N 2.84Å; V183-E186 PolarHBondContact O-N 2.78Å; E186-Q189 WeakPolarHBondContact O-CB 3.46Å; E186-Q189 PolarHBondContact O-N 2.67Å; E186-Q189 VanDerWaalsContact O-N 3.17Å; E186-Y190 HydrophobicContact CB-CE2 4.44Å; E186-Y190 WeakPolarHBondContact O-CD2 3.19Å; E186-Y190 PolarHBondContact O-N 3.5Å |
| 187 | K | 89.5 | Confident | 86.2 | Confident | 94 Ų | 94 | 104.9 Ų | 104.9 | 41% | 0.409 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -53.8 | -54.8 | 169.3 | 172.8 | -176.7 | 155.3 | -162.4 | 0 | 112.2 | V183 E184 Q189 Y190 E191 | V183-K187 VanDerWaalsContact O-CB 3.23Å; V183-K187 WeakPolarHBondContact O-CB 3.15Å; V183-K187 PolarHBondContact O-N 3.02Å; E184-K187 WeakPolarHBondContact OE1-CD 3.49Å; E184-K187 WeakPolarHBondContact OE1-CE 3.1Å; E184-K187 IonicContact OE1-NZ 3.86Å; E184-K187 PolarHBondContact OE1-NZ 3.38Å; K187-Q189 PolarHBondContact O-N 2.76Å; K187-Y190 CarbonylContact O-C 3.27Å; K187-Y190 WeakPolarHBondContact O-CA 3.46Å; K187-Y190 PolarHBondContact O-N 3.34Å; K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 HydrophobicContact CG-CG 4.36Å; K187-E191 WeakPolarHBondContact O-CG 3.19Å; K187-E191 PolarHBondContact O-N 3.04Å |
| 188 | K | 90 | Very high | 87.1 | Confident | 141 Ų | 141 | 105 Ų | 105 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.9 | -32.5 | 177.3 | -80.3 | -168.8 | 174.3 | -168.3 | 0 | 113.3 | E184 R185 E191 A192 | E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.3Å; E184-K188 VanDerWaalsContact O-N 3.08Å; R185-K188 PolarHBondContact O-N 3.22Å; K188-E191 WeakPolarHBondContact CA-OE2 3.37Å; K188-A192 WeakPolarHBondContact O-CB 3.2Å; K188-A192 PolarHBondContact O-N 2.98Å |
| 189 | Q | 89.6 | Confident | 87.8 | Confident | 143 Ų | 143 | 106.5 Ų | 106.5 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.1 | -37.1 | 175 | -170 | 173.8 | 2.2 | 0 | 0 | 112.1 | R185 E186 K187 R193 | R185-Q189 PolarHBondContact O-N 2.78Å; E186-Q189 WeakPolarHBondContact O-CB 3.46Å; E186-Q189 PolarHBondContact O-N 2.67Å; E186-Q189 VanDerWaalsContact O-N 3.17Å; K187-Q189 PolarHBondContact O-N 2.76Å; Q189-R193 WeakPolarHBondContact O-CB 3.44Å; Q189-R193 PolarHBondContact O-N 2.72Å; Q189-R193 VanDerWaalsContact O-N 3.16Å |
| 190 | Y | 87.9 | Confident | 88.2 | Confident | 161 Ų | 161 | 105 Ų | 105 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.7 | -41.8 | 172.2 | -69.2 | -61.5 | 0 | 0 | 0 | 112.6 | E186 K187 A192 R193 I194 | E186-Y190 HydrophobicContact CB-CE2 4.44Å; E186-Y190 WeakPolarHBondContact O-CD2 3.19Å; E186-Y190 PolarHBondContact O-N 3.5Å; K187-Y190 CarbonylContact O-C 3.27Å; K187-Y190 WeakPolarHBondContact O-CA 3.46Å; K187-Y190 PolarHBondContact O-N 3.34Å; Y190-A192 PolarHBondContact O-N 2.67Å; Y190-R193 PolarHBondContact O-N 3.21Å; Y190-I194 WeakPolarHBondContact O-CB 3.28Å; Y190-I194 VanDerWaalsContact O-CG1 3.26Å; Y190-I194 WeakPolarHBondContact O-CG1 3.24Å; Y190-I194 PolarHBondContact O-N 3.29Å |
| 191 | E | 88.4 | Confident | 88.7 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.5 | -50.8 | 175.1 | -72 | 167.9 | 162.8 | 0 | 0 | 110.9 | K187 K188 R193 I194 S195 | K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 HydrophobicContact CG-CG 4.36Å; K187-E191 WeakPolarHBondContact O-CG 3.19Å; K187-E191 PolarHBondContact O-N 3.04Å; K188-E191 WeakPolarHBondContact CA-OE2 3.37Å; E191-R193 VanDerWaalsContact C-N 3.32Å; E191-R193 PolarHBondContact O-N 3.43Å; E191-I194 PolarHBondContact O-N 3.4Å; E191-S195 PolarHBondContact O-N 3.41Å; E191-S195 PolarHBondContact O-OG 2.93Å |
| 192 | A | 88.4 | Confident | 89 | Confident | 61 Ų | 61 | 106 Ų | 106 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | K188 Y190 S195 E196 | K188-A192 WeakPolarHBondContact O-CB 3.2Å; K188-A192 PolarHBondContact O-N 2.98Å; Y190-A192 PolarHBondContact O-N 2.67Å; A192-S195 PolarHBondContact O-N 3.35Å; A192-E196 WeakPolarHBondContact O-CB 3.38Å; A192-E196 PolarHBondContact O-N 3.48Å |
| 193 | R | 89 | Confident | 89.3 | Confident | 145 Ų | 145 | 102.4 Ų | 102.4 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.7 | -30.6 | 178.7 | -168.9 | 55.7 | 160.6 | -169.5 | 0.2 | 112.8 | Q189 Y190 E191 E196 L197 | Q189-R193 WeakPolarHBondContact O-CB 3.44Å; Q189-R193 PolarHBondContact O-N 2.72Å; Q189-R193 VanDerWaalsContact O-N 3.16Å; Y190-R193 PolarHBondContact O-N 3.21Å; E191-R193 VanDerWaalsContact C-N 3.32Å; E191-R193 PolarHBondContact O-N 3.43Å; R193-E196 WeakPolarHBondContact CD-OE2 3.19Å; R193-E196 IonicContact CZ-OE2 2.7Å; R193-E196 IonicContact NE-OE2 3.63Å; R193-E196 VanDerWaalsContact NH1-CD 3.33Å; R193-E196 IonicContact NH1-OE1 2.67Å; R193-E196 PolarHBondContact NH1-OE1 3.49Å; R193-E196 IonicContact NH1-OE2 2.72Å; R193-E196 PolarHBondContact NH1-OE2 3.18Å; R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 2.89Å |
| 194 | I | 90.4 | Very high | 89.4 | Confident | 105 Ų | 105 | 106 Ų | 106 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -47.6 | 172.3 | -70.3 | 163 | 0 | 0 | 0 | 109.4 | Y190 E191 E196 L197 T198 | Y190-I194 WeakPolarHBondContact O-CB 3.28Å; Y190-I194 VanDerWaalsContact O-CG1 3.26Å; Y190-I194 WeakPolarHBondContact O-CG1 3.24Å; Y190-I194 PolarHBondContact O-N 3.29Å; E191-I194 PolarHBondContact O-N 3.4Å; I194-E196 VanDerWaalsContact C-N 3.33Å; I194-E196 PolarHBondContact O-N 2.88Å; I194-L197 PolarHBondContact O-N 3.37Å; I194-L197 VanDerWaalsContact O-N 3.12Å; I194-T198 PolarHBondContact O-N 2.84Å; I194-T198 PolarHBondContact O-OG1 3.36Å; I194-T198 VanDerWaalsContact O-OG1 3.13Å |
| 195 | S | 90.8 | Very high | 89.7 | Confident | 76 Ų | 76 | 107.6 Ų | 107.6 | 53% | 0.531 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | E191 A192 T198 Q199 | E191-S195 PolarHBondContact O-N 3.41Å; E191-S195 PolarHBondContact O-OG 2.93Å; A192-S195 PolarHBondContact O-N 3.35Å; S195-T198 PolarHBondContact O-N 3.34Å; S195-Q199 PolarHBondContact O-N 2.9Å |
| 196 | E | 92.5 | Very high | 89.8 | Confident | 97 Ų | 97 | 105.9 Ų | 105.9 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 174.4 | -175 | -175.1 | -165.3 | 0 | 0 | 111.7 | A192 R193 I194 V200 | A192-E196 WeakPolarHBondContact O-CB 3.38Å; A192-E196 PolarHBondContact O-N 3.48Å; R193-E196 WeakPolarHBondContact CD-OE2 3.19Å; R193-E196 IonicContact CZ-OE2 2.7Å; R193-E196 IonicContact NE-OE2 3.63Å; R193-E196 VanDerWaalsContact NH1-CD 3.33Å; R193-E196 IonicContact NH1-OE1 2.67Å; R193-E196 PolarHBondContact NH1-OE1 3.49Å; R193-E196 IonicContact NH1-OE2 2.72Å; R193-E196 PolarHBondContact NH1-OE2 3.18Å; I194-E196 VanDerWaalsContact C-N 3.33Å; I194-E196 PolarHBondContact O-N 2.88Å; E196-V200 WeakPolarHBondContact O-CG2 3.17Å; E196-V200 PolarHBondContact O-N 3.28Å; E196-V200 VanDerWaalsContact O-N 3.14Å |
| 197 | L | 89.5 | Confident | 90.1 | Very high | 103 Ų | 103 | 108.2 Ų | 108.2 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 177 | -80.7 | 165.4 | 0 | 0 | 0 | 113 | R193 I194 V200 T201 | R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 2.89Å; I194-L197 PolarHBondContact O-N 3.37Å; I194-L197 VanDerWaalsContact O-N 3.12Å; L197-V200 PolarHBondContact O-N 3.36Å; L197-T201 WeakPolarHBondContact O-CB 3.2Å; L197-T201 PolarHBondContact O-N 3.39Å; L197-T201 PolarHBondContact O-OG1 3.39Å |
| 198 | T | 92.6 | Very high | 90.2 | Very high | 71 Ų | 71 | 108.7 Ų | 108.7 | 44% | 0.436 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | I194 S195 V200 T201 E202 | I194-T198 PolarHBondContact O-N 2.84Å; I194-T198 PolarHBondContact O-OG1 3.36Å; I194-T198 VanDerWaalsContact O-OG1 3.13Å; S195-T198 PolarHBondContact O-N 3.34Å; T198-V200 VanDerWaalsContact C-N 3.33Å; T198-V200 PolarHBondContact O-N 3.04Å; T198-T201 WeakPolarHBondContact O-CA 3.3Å; T198-T201 WeakPolarHBondContact O-CB 3.43Å; T198-T201 PolarHBondContact O-N 2.88Å; T198-E202 PolarHBondContact O-N 3.27Å |
| 199 | Q | 91.1 | Very high | 90.3 | Very high | 139 Ų | 139 | 106.8 Ų | 106.8 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 179.3 | -168.8 | 177.5 | 25.4 | 0 | 0 | 112.9 | S195 T201 T203 | S195-Q199 PolarHBondContact O-N 2.9Å; Q199-T201 VanDerWaalsContact C-N 3.28Å; Q199-T201 PolarHBondContact O-N 2.94Å; Q199-T203 PolarHBondContact O-N 2.88Å; Q199-T203 VanDerWaalsContact O-N 3.1Å; Q199-T203 PolarHBondContact O-OG1 3.43Å |
| 200 | V | 90.3 | Very high | 90.5 | Very high | 67 Ų | 67 | 105.3 Ų | 105.3 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -28 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 112.2 | E196 L197 T198 T203 R204 | E196-V200 WeakPolarHBondContact O-CG2 3.17Å; E196-V200 PolarHBondContact O-N 3.28Å; E196-V200 VanDerWaalsContact O-N 3.14Å; L197-V200 PolarHBondContact O-N 3.36Å; T198-V200 VanDerWaalsContact C-N 3.33Å; T198-V200 PolarHBondContact O-N 3.04Å; V200-T203 WeakPolarHBondContact CA-OG1 3.5Å; V200-T203 PolarHBondContact O-OG1 3.09Å; V200-R204 PolarHBondContact O-N 3.19Å |
| 201 | T | 92.4 | Very high | 90.7 | Very high | 90 Ų | 90 | 102 Ų | 102 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -77.3 | -44.8 | 176.6 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | L197 T198 Q199 T203 R204 K205 | L197-T201 WeakPolarHBondContact O-CB 3.2Å; L197-T201 PolarHBondContact O-N 3.39Å; L197-T201 PolarHBondContact O-OG1 3.39Å; T198-T201 WeakPolarHBondContact O-CA 3.3Å; T198-T201 WeakPolarHBondContact O-CB 3.43Å; T198-T201 PolarHBondContact O-N 2.88Å; Q199-T201 VanDerWaalsContact C-N 3.28Å; Q199-T201 PolarHBondContact O-N 2.94Å; T201-T203 PolarHBondContact O-N 3.3Å; T201-R204 PolarHBondContact O-N 2.68Å; T201-K205 PolarHBondContact O-N 3.27Å |
| 202 | E | 89.7 | Confident | 90.9 | Very high | 101 Ų | 101 | 100.9 Ų | 100.9 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 176.5 | -137.8 | 68.3 | -111.3 | 0 | 0 | 111.9 | T198 R204 K205 M206 | T198-E202 PolarHBondContact O-N 3.27Å; E202-R204 PolarHBondContact O-N 2.69Å; E202-K205 WeakPolarHBondContact O-CB 3.41Å; E202-K205 PolarHBondContact O-N 3.07Å; E202-M206 PolarHBondContact O-N 2.96Å; E202-M206 VanDerWaalsContact O-N 3.09Å |
| 203 | T | 90.1 | Very high | 91.1 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 176.8 | 46 | 0 | 0 | 0 | 0 | 112.6 | Q199 V200 T201 M206 E207 | Q199-T203 PolarHBondContact O-N 2.88Å; Q199-T203 VanDerWaalsContact O-N 3.1Å; Q199-T203 PolarHBondContact O-OG1 3.43Å; V200-T203 WeakPolarHBondContact CA-OG1 3.5Å; V200-T203 PolarHBondContact O-OG1 3.09Å; T201-T203 PolarHBondContact O-N 3.3Å; T203-M206 HydrophobicContact CG2-CE 4.19Å; T203-E207 PolarHBondContact O-N 2.83Å; T203-E207 VanDerWaalsContact O-N 3.16Å |
| 204 | R | 88.9 | Confident | 91.2 | Very high | 164 Ų | 164 | 101.8 Ų | 101.8 | 62% | 0.619 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -37.9 | 170.5 | -94.9 | -171.5 | 163.4 | 100 | -0.5 | 113.2 | V200 T201 E202 E207 I208 | V200-R204 PolarHBondContact O-N 3.19Å; T201-R204 PolarHBondContact O-N 2.68Å; E202-R204 PolarHBondContact O-N 2.69Å; R204-E207 PolarHBondContact O-N 3.44Å; R204-I208 WeakPolarHBondContact O-CB 3.49Å; R204-I208 WeakPolarHBondContact O-CD1 3.45Å; R204-I208 VanDerWaalsContact O-CG1 3.25Å; R204-I208 WeakPolarHBondContact O-CG1 3.22Å; R204-I208 PolarHBondContact O-N 3.47Å |
| 205 | K | 91 | Very high | 91.2 | Very high | 110 Ų | 110 | 101.5 Ų | 101.5 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 177.7 | -170.9 | -179.9 | -175.3 | -85.8 | 0 | 110.8 | T201 E202 E207 I208 E209 | T201-K205 PolarHBondContact O-N 3.27Å; E202-K205 WeakPolarHBondContact O-CB 3.41Å; E202-K205 PolarHBondContact O-N 3.07Å; K205-E207 VanDerWaalsContact C-N 3.34Å; K205-E207 PolarHBondContact O-N 2.87Å; K205-I208 PolarHBondContact O-N 3.23Å; K205-E209 IonicContact NZ-OE1 3.65Å; K205-E209 PolarHBondContact NZ-OE1 3.41Å; K205-E209 PolarHBondContact O-N 2.9Å |
| 206 | M | 89.5 | Confident | 91.3 | Very high | 112 Ų | 112 | 105 Ų | 105 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -39.2 | 176.6 | -70.1 | -175.3 | -73.6 | 0 | 0 | 112.8 | E202 T203 E209 K210 | E202-M206 PolarHBondContact O-N 2.96Å; E202-M206 VanDerWaalsContact O-N 3.09Å; T203-M206 HydrophobicContact CG2-CE 4.19Å; M206-E209 PolarHBondContact O-N 3.48Å; M206-K210 WeakPolarHBondContact O-CB 3.05Å; M206-K210 PolarHBondContact O-N 2.95Å |
| 207 | E | 91.2 | Very high | 91.3 | Very high | 128 Ų | 128 | 107.2 Ų | 107.2 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.5 | -34.5 | 177.2 | -169.7 | 160.8 | -139.3 | 0 | 0 | 112.5 | T203 R204 K205 L211 | T203-E207 PolarHBondContact O-N 2.83Å; T203-E207 VanDerWaalsContact O-N 3.16Å; R204-E207 PolarHBondContact O-N 3.44Å; K205-E207 VanDerWaalsContact C-N 3.34Å; K205-E207 PolarHBondContact O-N 2.87Å; E207-L211 HydrophobicContact CG-CD1 4.29Å; E207-L211 WeakPolarHBondContact O-CB 3.43Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.36Å; E207-L211 PolarHBondContact O-N 2.95Å |
| 208 | I | 90.9 | Very high | 91.1 | Very high | 105 Ų | 105 | 105 Ų | 105 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 172.1 | -70.3 | 164.8 | 0 | 0 | 0 | 111.2 | R204 K205 L211 T212 | R204-I208 WeakPolarHBondContact O-CB 3.49Å; R204-I208 WeakPolarHBondContact O-CD1 3.45Å; R204-I208 VanDerWaalsContact O-CG1 3.25Å; R204-I208 WeakPolarHBondContact O-CG1 3.22Å; R204-I208 PolarHBondContact O-N 3.47Å; K205-I208 PolarHBondContact O-N 3.23Å; I208-L211 PolarHBondContact O-N 3.19Å; I208-T212 WeakPolarHBondContact O-CB 3.47Å; I208-T212 PolarHBondContact O-N 3.37Å; I208-T212 PolarHBondContact O-OG1 3.15Å |
| 209 | E | 91.4 | Very high | 91 | Very high | 100 Ų | 100 | 109.1 Ų | 109.1 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 176.5 | -78 | 169 | -179.5 | 0 | 0 | 111.1 | K205 M206 L211 T212 F213 | K205-E209 IonicContact NZ-OE1 3.65Å; K205-E209 PolarHBondContact NZ-OE1 3.41Å; K205-E209 PolarHBondContact O-N 2.9Å; M206-E209 PolarHBondContact O-N 3.48Å; E209-L211 PolarHBondContact O-N 3.46Å; E209-T212 PolarHBondContact O-N 2.78Å; E209-F213 PolarHBondContact O-N 3.1Å |
| 210 | K | 93.8 | Very high | 91 | Very high | 112 Ų | 112 | 108.3 Ų | 108.3 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 174.2 | 179.8 | -176.1 | 173.4 | -68.3 | 0 | 112.1 | M206 T212 F213 E214 | M206-K210 WeakPolarHBondContact O-CB 3.05Å; M206-K210 PolarHBondContact O-N 2.95Å; K210-T212 VanDerWaalsContact C-N 3.32Å; K210-T212 PolarHBondContact O-N 2.83Å; K210-F213 PolarHBondContact O-N 2.78Å; K210-E214 WeakPolarHBondContact CE-OE1 3.23Å; K210-E214 IonicContact NZ-OE1 3.25Å; K210-E214 PolarHBondContact NZ-OE1 3.2Å; K210-E214 IonicContact NZ-OE2 3.4Å; K210-E214 PolarHBondContact NZ-OE2 2.97Å; K210-E214 PolarHBondContact O-N 3.16Å |
| 211 | L | 92.9 | Very high | 90.9 | Very high | 92 Ų | 92 | 110.2 Ų | 110.2 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 179 | -72.8 | 168.9 | 0 | 0 | 0 | 111.8 | E207 I208 E209 F213 E214 V215 | E207-L211 HydrophobicContact CG-CD1 4.29Å; E207-L211 WeakPolarHBondContact O-CB 3.43Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.36Å; E207-L211 PolarHBondContact O-N 2.95Å; I208-L211 PolarHBondContact O-N 3.19Å; E209-L211 PolarHBondContact O-N 3.46Å; L211-F213 VanDerWaalsContact C-N 3.34Å; L211-F213 PolarHBondContact O-N 2.95Å; L211-E214 PolarHBondContact O-N 2.95Å; L211-V215 WeakPolarHBondContact O-CB 3.14Å; L211-V215 VanDerWaalsContact O-CG2 3.32Å; L211-V215 WeakPolarHBondContact O-CG2 3.21Å; L211-V215 PolarHBondContact O-N 3.09Å |
| 212 | T | 93.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 108.3 Ų | 108.3 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | I208 E209 K210 R216 | I208-T212 WeakPolarHBondContact O-CB 3.47Å; I208-T212 PolarHBondContact O-N 3.37Å; I208-T212 PolarHBondContact O-OG1 3.15Å; E209-T212 PolarHBondContact O-N 2.78Å; K210-T212 VanDerWaalsContact C-N 3.32Å; K210-T212 PolarHBondContact O-N 2.83Å; T212-R216 WeakPolarHBondContact O-CB 3.43Å; T212-R216 PolarHBondContact O-N 2.79Å |
| 213 | F | 92.4 | Very high | 90.7 | Very high | 129 Ų | 129 | 106.6 Ų | 106.6 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.8 | -44.6 | 174.6 | -168.5 | -83.5 | 0 | 0 | 0 | 112.2 | E209 K210 L211 V215 R216 R217 | E209-F213 PolarHBondContact O-N 3.1Å; K210-F213 PolarHBondContact O-N 2.78Å; L211-F213 VanDerWaalsContact C-N 3.34Å; L211-F213 PolarHBondContact O-N 2.95Å; F213-V215 VanDerWaalsContact C-N 3.34Å; F213-V215 PolarHBondContact O-N 3.38Å; F213-R216 PolarHBondContact O-N 2.63Å; F213-R217 WeakPolarHBondContact O-CB 3.44Å; F213-R217 PolarHBondContact O-N 2.86Å |
| 214 | E | 91 | Very high | 90.8 | Very high | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 175.8 | -75 | 175.5 | 166 | 0 | 0 | 111.9 | K210 L211 A218 | K210-E214 WeakPolarHBondContact CE-OE1 3.23Å; K210-E214 IonicContact NZ-OE1 3.25Å; K210-E214 PolarHBondContact NZ-OE1 3.2Å; K210-E214 IonicContact NZ-OE2 3.4Å; K210-E214 PolarHBondContact NZ-OE2 2.97Å; K210-E214 PolarHBondContact O-N 3.16Å; L211-E214 PolarHBondContact O-N 2.95Å; E214-A218 WeakPolarHBondContact O-CB 3.33Å; E214-A218 PolarHBondContact O-N 3.37Å |
| 215 | V | 91.1 | Very high | 90.7 | Very high | 100 Ų | 100 | 104.7 Ų | 104.7 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 174.1 | 168.1 | 0 | 0 | 0 | 0 | 111.9 | L211 F213 A218 K219 | L211-V215 WeakPolarHBondContact O-CB 3.14Å; L211-V215 VanDerWaalsContact O-CG2 3.32Å; L211-V215 WeakPolarHBondContact O-CG2 3.21Å; L211-V215 PolarHBondContact O-N 3.09Å; F213-V215 VanDerWaalsContact C-N 3.34Å; F213-V215 PolarHBondContact O-N 3.38Å; V215-A218 PolarHBondContact O-N 2.91Å; V215-K219 WeakPolarHBondContact O-CB 3.34Å; V215-K219 PolarHBondContact O-N 2.88Å |
| 216 | R | 91.2 | Very high | 90.6 | Very high | 148 Ų | 148 | 104.2 Ų | 104.2 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -48 | 178.6 | -166.3 | -174.2 | -60.6 | 117.6 | -3.7 | 110.9 | T212 F213 K219 E220 | T212-R216 WeakPolarHBondContact O-CB 3.43Å; T212-R216 PolarHBondContact O-N 2.79Å; F213-R216 PolarHBondContact O-N 2.63Å; R216-K219 WeakPolarHBondContact O-CB 3.44Å; R216-K219 PolarHBondContact O-N 3.49Å; R216-E220 PolarHBondContact O-N 3.23Å; R216-E220 VanDerWaalsContact O-N 3.09Å |
| 217 | R | 92.3 | Very high | 90.6 | Very high | 144 Ų | 144 | 104.3 Ų | 104.3 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.1 | 179.8 | -178.7 | 171.8 | 153.9 | 6.6 | 112.5 | F213 K219 E220 E221 | F213-R217 WeakPolarHBondContact O-CB 3.44Å; F213-R217 PolarHBondContact O-N 2.86Å; R217-K219 VanDerWaalsContact C-N 3.27Å; R217-K219 PolarHBondContact O-N 3.33Å; R217-E220 PolarHBondContact O-N 3.25Å; R217-E221 IonicContact CZ-OE1 3.77Å; R217-E221 IonicContact NE-OE1 3.47Å; R217-E221 PolarHBondContact NE-OE1 3.46Å; R217-E221 IonicContact NH2-OE1 2.66Å; R217-E221 PolarHBondContact NH2-OE1 3.2Å; R217-E221 PolarHBondContact O-N 3.01Å |
| 218 | A | 87 | Confident | 90.4 | Very high | 57 Ų | 57 | 103.1 Ų | 103.1 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E214 V215 A222 | E214-A218 WeakPolarHBondContact O-CB 3.33Å; E214-A218 PolarHBondContact O-N 3.37Å; V215-A218 PolarHBondContact O-N 2.91Å; A218-A222 WeakPolarHBondContact O-CB 3.31Å; A218-A222 PolarHBondContact O-N 2.98Å |
| 219 | K | 89.9 | Confident | 90 | Very high | 158 Ų | 158 | 101.8 Ų | 101.8 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | 174.3 | -159.9 | -178 | -176.1 | -170.5 | 0 | 111.6 | V215 R216 R217 A222 S223 | V215-K219 WeakPolarHBondContact O-CB 3.34Å; V215-K219 PolarHBondContact O-N 2.88Å; R216-K219 WeakPolarHBondContact O-CB 3.44Å; R216-K219 PolarHBondContact O-N 3.49Å; R217-K219 VanDerWaalsContact C-N 3.27Å; R217-K219 PolarHBondContact O-N 3.33Å; K219-A222 WeakPolarHBondContact O-CB 3.36Å; K219-A222 PolarHBondContact O-N 2.62Å; K219-S223 PolarHBondContact O-N 2.9Å; K219-S223 PolarHBondContact O-OG 3.03Å |
| 220 | E | 90.7 | Very high | 89.8 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.1 | -40.8 | 178.3 | -170.2 | 172.3 | -143.1 | 0 | 0 | 112.9 | R216 R217 A222 S223 K224 | R216-E220 PolarHBondContact O-N 3.23Å; R216-E220 VanDerWaalsContact O-N 3.09Å; R217-E220 PolarHBondContact O-N 3.25Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.96Å; E220-S223 PolarHBondContact O-N 3.31Å; E220-K224 PolarHBondContact O-N 3.06Å; E220-K224 VanDerWaalsContact O-N 3.09Å |
| 221 | E | 89 | Confident | 89.3 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 170.2 | -73.1 | 176.3 | -172.6 | 0 | 0 | 111.2 | R217 K224 A225 | R217-E221 IonicContact CZ-OE1 3.77Å; R217-E221 IonicContact NE-OE1 3.47Å; R217-E221 PolarHBondContact NE-OE1 3.46Å; R217-E221 IonicContact NH2-OE1 2.66Å; R217-E221 PolarHBondContact NH2-OE1 3.2Å; R217-E221 PolarHBondContact O-N 3.01Å; E221-K224 PolarHBondContact O-N 3.08Å; E221-A225 PolarHBondContact O-N 3.44Å; E221-A225 VanDerWaalsContact O-N 3.11Å |
| 222 | A | 86.5 | Confident | 88.8 | Confident | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A218 K219 E220 K224 A225 I226 | A218-A222 WeakPolarHBondContact O-CB 3.31Å; A218-A222 PolarHBondContact O-N 2.98Å; K219-A222 WeakPolarHBondContact O-CB 3.36Å; K219-A222 PolarHBondContact O-N 2.62Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.96Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-K224 PolarHBondContact O-N 3.01Å; A222-A225 WeakPolarHBondContact O-CB 3.32Å; A222-A225 PolarHBondContact O-N 2.92Å; A222-I226 WeakPolarHBondContact O-CG1 3.41Å; A222-I226 PolarHBondContact O-N 3.01Å |
| 223 | S | 90.9 | Very high | 88.5 | Confident | 66 Ų | 66 | 103.3 Ų | 103.3 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 174.7 | -72.6 | 0 | 0 | 0 | 0 | 112.5 | K219 E220 A225 I226 L227 | K219-S223 PolarHBondContact O-N 2.9Å; K219-S223 PolarHBondContact O-OG 3.03Å; E220-S223 PolarHBondContact O-N 3.31Å; S223-A225 PolarHBondContact O-N 3.24Å; S223-I226 PolarHBondContact O-N 3.05Å; S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.16Å |
| 224 | K | 91.4 | Very high | 88.3 | Confident | 144 Ų | 144 | 102.6 Ų | 102.6 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -37.9 | 173.4 | -79.3 | -178.8 | 174.1 | 173.2 | 0 | 113 | E220 E221 A222 I226 L227 L228 | E220-K224 PolarHBondContact O-N 3.06Å; E220-K224 VanDerWaalsContact O-N 3.09Å; E221-K224 PolarHBondContact O-N 3.08Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-K224 PolarHBondContact O-N 3.01Å; K224-I226 VanDerWaalsContact C-N 3.35Å; K224-L227 PolarHBondContact O-N 3.44Å; K224-L228 PolarHBondContact O-N 3.32Å |
| 225 | A | 86.2 | Confident | 87.8 | Confident | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E221 A222 S223 T229 | E221-A225 PolarHBondContact O-N 3.44Å; E221-A225 VanDerWaalsContact O-N 3.11Å; A222-A225 WeakPolarHBondContact O-CB 3.32Å; A222-A225 PolarHBondContact O-N 2.92Å; S223-A225 PolarHBondContact O-N 3.24Å; A225-T229 PolarHBondContact O-N 3.46Å; A225-T229 VanDerWaalsContact O-N 3.14Å; A225-T229 PolarHBondContact O-OG1 2.83Å |
| 226 | I | 89.7 | Confident | 87.2 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 175.7 | -67.4 | 166.8 | 0 | 0 | 0 | 110.5 | A222 S223 K224 L228 T229 E230 | A222-I226 WeakPolarHBondContact O-CG1 3.41Å; A222-I226 PolarHBondContact O-N 3.01Å; S223-I226 PolarHBondContact O-N 3.05Å; K224-I226 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 3.46Å; I226-T229 CarbonylContact O-C 3.59Å; I226-T229 WeakPolarHBondContact O-CA 3.35Å; I226-T229 VanDerWaalsContact O-CB 3.3Å; I226-T229 WeakPolarHBondContact O-CB 3.33Å; I226-T229 PolarHBondContact O-N 2.71Å; I226-E230 PolarHBondContact O-N 2.87Å |
| 227 | L | 89.2 | Confident | 86.9 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.9 | -45.7 | 178.8 | -73.1 | 170.7 | 0 | 0 | 0 | 112.6 | S223 K224 T229 E230 E231 | S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.16Å; K224-L227 PolarHBondContact O-N 3.44Å; L227-T229 PolarHBondContact O-N 3.33Å; L227-E230 PolarHBondContact O-N 2.87Å; L227-E231 PolarHBondContact O-N 3.31Å |
| 228 | L | 86.5 | Confident | 86.4 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -30.9 | 172.9 | -92.5 | 164.2 | 0 | 0 | 0 | 113.1 | K224 I226 E230 T232 | K224-L228 PolarHBondContact O-N 3.32Å; I226-L228 PolarHBondContact O-N 3.46Å; L228-E230 VanDerWaalsContact C-N 3.31Å; L228-T232 WeakPolarHBondContact O-CB 3.39Å; L228-T232 WeakPolarHBondContact O-CG2 3.36Å; L228-T232 PolarHBondContact O-N 3.34Å; L228-T232 PolarHBondContact O-OG1 2.85Å |
| 229 | T | 83.8 | Confident | 86.1 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -78 | -15.8 | 176.2 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | A225 I226 L227 K233 | A225-T229 PolarHBondContact O-N 3.46Å; A225-T229 VanDerWaalsContact O-N 3.14Å; A225-T229 PolarHBondContact O-OG1 2.83Å; I226-T229 CarbonylContact O-C 3.59Å; I226-T229 WeakPolarHBondContact O-CA 3.35Å; I226-T229 VanDerWaalsContact O-CB 3.3Å; I226-T229 WeakPolarHBondContact O-CB 3.33Å; I226-T229 PolarHBondContact O-N 2.71Å; L227-T229 PolarHBondContact O-N 3.33Å; T229-K233 VanDerWaalsContact O-CD 3.31Å; T229-K233 WeakPolarHBondContact O-CD 3.29Å; T229-K233 WeakPolarHBondContact O-CE 3.38Å; T229-K233 WeakPolarHBondContact O-CG 3.38Å |
| 230 | E | 86.7 | Confident | 85.6 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -95.9 | -38.2 | 174.6 | -68.7 | -175.2 | 129.7 | 0 | 0 | 111.9 | I226 L227 L228 T232 K233 L234 | I226-E230 PolarHBondContact O-N 2.87Å; L227-E230 PolarHBondContact O-N 2.87Å; L228-E230 VanDerWaalsContact C-N 3.31Å; E230-T232 PolarHBondContact O-N 3.01Å; E230-K233 WeakPolarHBondContact O-CB 3.43Å; E230-K233 PolarHBondContact O-N 3.42Å; E230-K233 VanDerWaalsContact O-N 3.12Å; E230-L234 WeakPolarHBondContact O-CG 3.19Å; E230-L234 PolarHBondContact O-N 2.85Å |
| 231 | E | 83.9 | Confident | 84.9 | Confident | 130 Ų | 130 | 101.3 Ų | 101.3 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.4 | -49.7 | 169.6 | -173.1 | 171 | -143.2 | 0 | 0 | 111.2 | L227 K233 L234 E235 | L227-E231 PolarHBondContact O-N 3.31Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.29Å; E231-L234 PolarHBondContact O-N 3.12Å; E231-L234 VanDerWaalsContact O-N 3.14Å; E231-E235 PolarHBondContact O-N 3.21Å |
| 232 | T | 82.8 | Confident | 84.3 | Confident | 65 Ų | 65 | 101.3 Ų | 101.3 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -21 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | L228 E230 N236 | L228-T232 WeakPolarHBondContact O-CB 3.39Å; L228-T232 WeakPolarHBondContact O-CG2 3.36Å; L228-T232 PolarHBondContact O-N 3.34Å; L228-T232 PolarHBondContact O-OG1 2.85Å; E230-T232 PolarHBondContact O-N 3.01Å; T232-N236 WeakPolarHBondContact O-CB 3.33Å; T232-N236 PolarHBondContact O-N 3.22Å; T232-N236 PolarHBondContact O-ND2 3.42Å |
| 233 | K | 86.6 | Confident | 83.5 | Confident | 114 Ų | 114 | 105.4 Ų | 105.4 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.4 | -44.6 | 168 | -77.9 | 169.1 | -166.8 | 164.5 | 0 | 111.3 | T229 E230 E231 E235 N236 I237 | T229-K233 VanDerWaalsContact O-CD 3.31Å; T229-K233 WeakPolarHBondContact O-CD 3.29Å; T229-K233 WeakPolarHBondContact O-CE 3.38Å; T229-K233 WeakPolarHBondContact O-CG 3.38Å; E230-K233 WeakPolarHBondContact O-CB 3.43Å; E230-K233 PolarHBondContact O-N 3.42Å; E230-K233 VanDerWaalsContact O-N 3.12Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.29Å; K233-E235 VanDerWaalsContact C-N 3.33Å; K233-N236 WeakPolarHBondContact O-CB 3.44Å; K233-N236 PolarHBondContact O-N 3.47Å; K233-I237 VanDerWaalsContact O-CG1 3.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.12Å; K233-I237 PolarHBondContact O-N 2.93Å |
| 234 | L | 86.9 | Confident | 82.3 | Confident | 114 Ų | 114 | 108.3 Ų | 108.3 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 178.1 | -71.5 | 171.8 | 0 | 0 | 0 | 110.6 | E230 E231 N236 I237 Q238 | E230-L234 WeakPolarHBondContact O-CG 3.19Å; E230-L234 PolarHBondContact O-N 2.85Å; E231-L234 PolarHBondContact O-N 3.12Å; E231-L234 VanDerWaalsContact O-N 3.14Å; L234-N236 PolarHBondContact O-N 3.47Å; L234-I237 PolarHBondContact O-N 3.38Å; L234-I237 VanDerWaalsContact O-N 3.17Å; L234-Q238 WeakPolarHBondContact O-CB 3.47Å; L234-Q238 PolarHBondContact O-N 3.04Å |
| 235 | E | 80.8 | Confident | 80.8 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 172.2 | -169.3 | -179.9 | -137.9 | 0 | 0 | 111.7 | E231 K233 I237 Q238 L239 | E231-E235 PolarHBondContact O-N 3.21Å; K233-E235 VanDerWaalsContact C-N 3.33Å; E235-I237 PolarHBondContact O-N 2.88Å; E235-Q238 PolarHBondContact O-N 3.43Å; E235-L239 HydrophobicContact CG-CD1 4.35Å; E235-L239 WeakPolarHBondContact O-CB 3.41Å; E235-L239 WeakPolarHBondContact O-CG 3.45Å; E235-L239 PolarHBondContact O-N 2.6Å |
| 236 | N | 78.2 | Confident | 79.2 | Confident | 94 Ų | 94 | 109.8 Ų | 109.8 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.6 | -38.2 | 173.1 | -96.9 | -93.1 | 0 | 0 | 0 | 113.4 | T232 K233 L234 R240 | T232-N236 WeakPolarHBondContact O-CB 3.33Å; T232-N236 PolarHBondContact O-N 3.22Å; T232-N236 PolarHBondContact O-ND2 3.42Å; K233-N236 WeakPolarHBondContact O-CB 3.44Å; K233-N236 PolarHBondContact O-N 3.47Å; L234-N236 PolarHBondContact O-N 3.47Å; N236-R240 WeakPolarHBondContact O-CB 3.46Å; N236-R240 WeakPolarHBondContact O-CG 3.37Å; N236-R240 PolarHBondContact O-N 3.25Å |
| 237 | I | 86.4 | Confident | 76.8 | Confident | 87 Ų | 87 | 107.8 Ų | 107.8 | 45% | 0.446 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.4 | -41.6 | 175.4 | -70.8 | 162.6 | 0 | 0 | 0 | 109.8 | K233 L234 E235 R240 N241 | K233-I237 VanDerWaalsContact O-CG1 3.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.12Å; K233-I237 PolarHBondContact O-N 2.93Å; L234-I237 PolarHBondContact O-N 3.38Å; L234-I237 VanDerWaalsContact O-N 3.17Å; E235-I237 PolarHBondContact O-N 2.88Å; I237-R240 PolarHBondContact O-N 2.96Å; I237-N241 WeakPolarHBondContact O-CB 3.29Å; I237-N241 PolarHBondContact O-N 2.9Å; I237-N241 PolarHBondContact O-ND2 3.04Å; I237-N241 PolarHBondContact O-OD1 3.39Å |
| 238 | Q | 81.8 | Confident | 74.4 | Confident | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -41.1 | 177.8 | -170.2 | 155.6 | -35.5 | 0 | 0 | 111.9 | L234 E235 N241 Q242 | L234-Q238 WeakPolarHBondContact O-CB 3.47Å; L234-Q238 PolarHBondContact O-N 3.04Å; E235-Q238 PolarHBondContact O-N 3.43Å; Q238-N241 PolarHBondContact O-N 3.08Å; Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.43Å |
| 239 | L | 80.5 | Confident | 72 | Confident | 94 Ų | 94 | 108 Ų | 108 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.6 | -41.5 | 171.8 | -71.5 | 168.4 | 0 | 0 | 0 | 112 | E235 Q242 L243 | E235-L239 HydrophobicContact CG-CD1 4.35Å; E235-L239 WeakPolarHBondContact O-CB 3.41Å; E235-L239 WeakPolarHBondContact O-CG 3.45Å; E235-L239 PolarHBondContact O-N 2.6Å; L239-Q242 PolarHBondContact O-N 2.76Å; L239-L243 PolarHBondContact O-N 3.41Å |
| 240 | R | 78.6 | Confident | 69.3 | Low | 182 Ų | 182 | 110.5 Ų | 110.5 | 69% | 0.687 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62 | -41.4 | 172.4 | -80.1 | 179.4 | 171.5 | -148.6 | -2.4 | 112.3 | N236 I237 L243 L244 | N236-R240 WeakPolarHBondContact O-CB 3.46Å; N236-R240 WeakPolarHBondContact O-CG 3.37Å; N236-R240 PolarHBondContact O-N 3.25Å; I237-R240 PolarHBondContact O-N 2.96Å; R240-L243 WeakPolarHBondContact O-CB 3.32Å; R240-L243 PolarHBondContact O-N 2.84Å; R240-L244 WeakPolarHBondContact O-CG 3.47Å; R240-L244 PolarHBondContact O-N 2.86Å |
| 241 | N | 76.3 | Confident | 66.7 | Low | 92 Ų | 92 | 115.5 Ų | 115.5 | 49% | 0.492 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.8 | -34.9 | 179.1 | -70.4 | -11.3 | 0 | 0 | 0 | 111.8 | I237 Q238 L244 A245 | I237-N241 WeakPolarHBondContact O-CB 3.29Å; I237-N241 PolarHBondContact O-N 2.9Å; I237-N241 PolarHBondContact O-ND2 3.04Å; I237-N241 PolarHBondContact O-OD1 3.39Å; Q238-N241 PolarHBondContact O-N 3.08Å; N241-L244 PolarHBondContact O-N 3.02Å; N241-A245 WeakPolarHBondContact O-CB 3.45Å; N241-A245 PolarHBondContact O-N 3.23Å |
| 242 | Q | 76.1 | Confident | 64.1 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 50% | 0.495 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 169.3 | -73.6 | 175.8 | 1.7 | 0 | 0 | 111.7 | Q238 L239 L244 A245 L246 | Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.43Å; L239-Q242 PolarHBondContact O-N 2.76Å; Q242-L244 VanDerWaalsContact C-N 3.31Å; Q242-L244 PolarHBondContact O-N 3.09Å; Q242-A245 PolarHBondContact O-N 3.28Å; Q242-L246 WeakPolarHBondContact O-CG 3.3Å; Q242-L246 PolarHBondContact O-N 2.93Å; Q242-L246 VanDerWaalsContact O-N 3.09Å |
| 243 | L | 70.2 | Confident | 61.5 | Low | 137 Ų | 137 | 123.3 Ų | 123.3 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.9 | -38.3 | 174.3 | -138.6 | 79.9 | 0 | 0 | 0 | 112.2 | L239 R240 | L239-L243 PolarHBondContact O-N 3.41Å; R240-L243 WeakPolarHBondContact O-CB 3.32Å; R240-L243 PolarHBondContact O-N 2.84Å |
| 244 | L | 65.8 | Low | 58.9 | Low | 127 Ų | 127 | 121.6 Ų | 121.6 | 67% | 0.665 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.5 | -38.1 | 174.6 | -75.8 | 164.6 | 0 | 0 | 0 | 112.6 | R240 N241 Q242 L246 G247 | R240-L244 WeakPolarHBondContact O-CG 3.47Å; R240-L244 PolarHBondContact O-N 2.86Å; N241-L244 PolarHBondContact O-N 3.02Å; Q242-L244 VanDerWaalsContact C-N 3.31Å; Q242-L244 PolarHBondContact O-N 3.09Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.47Å; L244-G247 WeakPolarHBondContact O-CA 3.45Å; L244-G247 PolarHBondContact O-N 3.45Å |
| 245 | A | 59.9 | Low | 56.3 | Low | 79 Ų | 79 | 123.7 Ų | 123.7 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.3 | -29.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N241 Q242 G247 | N241-A245 WeakPolarHBondContact O-CB 3.45Å; N241-A245 PolarHBondContact O-N 3.23Å; Q242-A245 PolarHBondContact O-N 3.28Å; A245-G247 PolarHBondContact O-N 2.99Å |
| 246 | L | 52.3 | Low | 53.9 | Low | 150 Ų | 150 | 126.9 Ų | 126.9 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -8.6 | 169.9 | -66.6 | 172.4 | 0 | 0 | 0 | 113.1 | Q242 L244 S248 | Q242-L246 WeakPolarHBondContact O-CG 3.3Å; Q242-L246 PolarHBondContact O-N 2.93Å; Q242-L246 VanDerWaalsContact O-N 3.09Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.47Å; L246-S248 VanDerWaalsContact C-N 3.27Å; L246-S248 PolarHBondContact O-N 3.27Å |
| 247 | G | 39.6 | Very low | 51.8 | Low | 56 Ų | 56 | 126.2 Ų | 126.2 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | trans | -78.8 | 54.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L244 A245 | L244-G247 WeakPolarHBondContact O-CA 3.45Å; L244-G247 PolarHBondContact O-N 3.45Å; A245-G247 PolarHBondContact O-N 2.99Å | ||
| 248 | S | 38.2 | Very low | 49.3 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | -68.7 | 135.7 | 171.6 | -82.5 | 0 | 0 | 0 | 0 | 112 | L246 C250 | L246-S248 VanDerWaalsContact C-N 3.27Å; L246-S248 PolarHBondContact O-N 3.27Å; S248-C250 PolarHBondContact O-N 2.9Å | ||
| 249 | P | 36 | Very low | 46.6 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | trans | -78.4 | 116.4 | -163.3 | 29.1 | -35.5 | 0 | 0 | 0 | 113.3 | K251 | P249-K251 PolarHBondContact O-N 3.16Š| ||
| 250 | C | 28.2 | Very low | 44.4 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -70.2 | 112.4 | 167.5 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | S248 | S248-C250 PolarHBondContact O-N 2.9Š| ||
| 251 | K | 31.2 | Very low | 42 | Very low | 199 Ų | 199 | 128.1 Ų | 128.1 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -67.4 | 129.1 | 161.9 | -65 | 179.5 | 179.3 | -180 | 0 | 109.6 | P249 | P249-K251 PolarHBondContact O-N 3.16Š| ||
| 252 | K | 30.4 | Very low | 39.9 | Very low | 197 Ų | 197 | 129.2 Ų | 129.2 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | -172.1 | 151.7 | 127 | -106.4 | 168.2 | -176.1 | -178.1 | 0 | 113.9 | |||||
| 253 | D | 28.3 | Very low | 37.6 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -69.8 | 153.6 | 176.8 | -37.2 | -98.3 | 0 | 0 | 0 | 111.2 | ||||
| 254 | G | 31.3 | Very low | 35.9 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -167 | 13.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 255 | D | 31.6 | Very low | 34 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 56.9 | -176.8 | 161.8 | -141.6 | -16 | 0 | 0 | 0 | 119.3 | ||||
| 256 | Q | 30.7 | Very low | 32.8 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -93.4 | 149.1 | -168.7 | -57.7 | -179 | 31.1 | 0 | 0 | 114.5 | ||||
| 257 | G | 33.9 | Very low | 31.7 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -147.4 | 139.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 258 | S | 33.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -91.9 | 143.4 | -162.1 | 58.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 259 | C | 27.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | trans | -11.9 | 138.3 | 154.1 | -170.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 260 | V | 34.3 | Very low | 30.6 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -127.3 | 149.4 | 144.9 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 261 | E | 27.9 | Very low | 30.8 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -62.6 | 169 | -172.8 | -56.5 | 156.6 | 106.6 | 0 | 0 | 113.7 | ||||
| 262 | S | 31.2 | Very low | 30.9 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | cis | -145.4 | 150.2 | 16.6 | -38.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 263 | H | 27.7 | Very low | 30.6 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -91.9 | 135.8 | 156.7 | -81.4 | -75.7 | 0 | 0 | 0 | 110.4 | ||||
| 264 | Q | 34 | Very low | 30.8 | Very low | 199 Ų | 199 | 132.3 Ų | 132.3 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -150.6 | 133.2 | 135.8 | -112.7 | 178.9 | 32.8 | 0 | 0 | 108.8 | ||||
| 265 | N | 26.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -147.8 | 112 | -177.3 | -174.6 | 13.3 | 0 | 0 | 0 | 108.7 | ||||
| 266 | T | 34.5 | Very low | 30.3 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -111.4 | 104.3 | 174.4 | 22.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 267 | K | 30.1 | Very low | 30.3 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 49% | 0.491 | 78% | 0.779 | S | S | . | * | trans | -67.5 | 143.8 | 173.3 | -70.5 | 167.7 | 179.3 | 164.5 | 0 | 110.9 | D342 | K267-D342 WeakPolarHBondContact CD-OD2 3.48Å; K267-D342 WeakPolarHBondContact CE-OD1 3.5Å; K267-D342 IonicContact NZ-OD1 2.67Å; K267-D342 PolarHBondContact NZ-OD1 3.32Å; K267-D342 IonicContact NZ-OD2 3.52Å | ||
| 268 | L | 29.4 | Very low | 29.9 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | -178.5 | 113.3 | 110.4 | -91.3 | 151.7 | 0 | 0 | 0 | 106.2 | |||||
| 269 | N | 29.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 47.1 | 129.1 | 68.9 | -77.7 | -2.9 | 0 | 0 | 0 | 113 | |||||
| 270 | S | 31 | Very low | 29.7 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -161.2 | 179.9 | -0.6 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 271 | T | 32.1 | Very low | 29.4 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -145.3 | 143.8 | 12.5 | -38.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 272 | T | 32.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -95.8 | 140.9 | -165.4 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | S274 | T272-S274 PolarHBondContact O-N 3.07Š| ||
| 273 | P | 25.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 85.9 | 161.6 | 33.5 | -32.2 | 0 | 0 | 0 | 111.3 | ||||
| 274 | S | 30.7 | Very low | 29.5 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -116.8 | 139.5 | 152.4 | -160.8 | 0 | 0 | 0 | 0 | 106.7 | T272 | T272-S274 PolarHBondContact O-N 3.07Š| ||
| 275 | S | 28.2 | Very low | 29.9 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | S | Bend | cis | -136.1 | 75.1 | 23.5 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 276 | R | 26.2 | Very low | 30.6 | Very low | 237 Ų | 237 | 135.9 Ų | 135.9 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -158.6 | 144.7 | 151.3 | -124.4 | 177.8 | -81.9 | -166.5 | -1.6 | 112.4 | ||
| 277 | K | 30.2 | Very low | 30.2 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -24.2 | 151.4 | 166 | -74.9 | 177.2 | 179.7 | 177.6 | 0 | 115.9 | ||||
| 278 | L | 25.5 | Very low | 30 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | cis | -163.9 | -176.2 | 22.5 | -127.4 | 164.4 | 0 | 0 | 0 | 112.2 | ||||
| 279 | F | 26.8 | Very low | 30 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -57.5 | 139.3 | 169.3 | -84.2 | -109.5 | 0 | 0 | 0 | 113.6 | ||||
| 280 | A | 28.9 | Very low | 29.7 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -161.3 | 158.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 281 | F | 27.5 | Very low | 29.5 | Very low | 191 Ų | 191 | 136 Ų | 136 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -127.2 | 130 | -176.8 | -134.4 | -102.5 | 0 | 0 | 0 | 112 | ||||
| 282 | T | 28.8 | Very low | 29.4 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | 61.8 | 135.5 | 155.3 | 47.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 283 | S | 31.2 | Very low | 29.2 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 79.8 | 86.1 | 140.2 | 65.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 284 | S | 30.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | 82.5 | 148 | 120.9 | -55.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 285 | P | 40.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -121 | -155.9 | -171.9 | 48.3 | -32.3 | 0 | 0 | 0 | 111 | ||||
| 286 | P | 43.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -134.3 | -154.6 | -5.5 | 38.5 | -15.7 | 0 | 0 | 0 | 114.2 | ||||
| 287 | E | 25.5 | Very low | 30.8 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 85.3 | 127.8 | 167.6 | -64.4 | -159.4 | 172.9 | 0 | 0 | 121 | ||||
| 288 | S | 25.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 68.4 | 152.6 | 144 | -152.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 289 | L | 30.3 | Very low | 30.8 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | trans | 64.3 | 141.4 | 177.9 | -45.3 | -179.5 | 0 | 0 | 0 | 113.9 | ||||
| 290 | G | 23.9 | Very low | 31.1 | Very low | 62 Ų | 62 | 119.2 Ų | 119.2 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | cis | 94.5 | 132.3 | 11.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 291 | T | 25.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | 50.7 | 109.5 | 173.1 | 43.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 292 | T | 29.6 | Very low | 32.1 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | -155.8 | 109.7 | 102.7 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 293 | T | 28.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 116.6 Ų | 116.6 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -99.4 | 101.6 | 160.5 | -57.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 294 | R | 30.8 | Very low | 32.3 | Very low | 168 Ų | 168 | 119.4 Ų | 119.4 | 63% | 0.634 | 76% | 0.755 | S | S | * | * | trans | -166.9 | 141.9 | 157.7 | -107.8 | 158.6 | -173 | -76.2 | -8 | 108.2 | T296 | R294-T296 WeakPolarHBondContact CG-O 3.48Å; R294-T296 PolarHBondContact NH1-O 3.39Å | ||
| 295 | L | 28.3 | Very low | 32.4 | Very low | 173 Ų | 173 | 120.1 Ų | 120.1 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -94.1 | 112 | 26.9 | -61.7 | 177 | 0 | 0 | 0 | 116 | ||
| 296 | T | 37.9 | Very low | 32.1 | Very low | 80 Ų | 80 | 118.2 Ų | 118.2 | 49% | 0.491 | 76% | 0.756 | S | S | . | * | trans | -146.3 | -159 | 155.2 | 14.4 | 0 | 0 | 0 | 0 | 104.6 | R294 | R294-T296 WeakPolarHBondContact CG-O 3.48Å; R294-T296 PolarHBondContact NH1-O 3.39Å | ||
| 297 | P | 46.6 | Very low | 31.5 | Very low | 91 Ų | 91 | 116.3 Ų | 116.3 | 59% | 0.591 | 76% | 0.757 | S | S | * | * | -122.9 | -171 | -65.6 | 38.1 | -26.4 | 0 | 0 | 0 | 111.2 | |||||
| 298 | G | 28.2 | Very low | 31.8 | Very low | 80 Ų | 80 | 114 Ų | 114 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -149.9 | 141 | 134.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 299 | G | 29.2 | Very low | 32.2 | Very low | 64 Ų | 64 | 115.4 Ų | 115.4 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | cis | -135.7 | 163.4 | -10.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 300 | A | 31.8 | Very low | 31.9 | Very low | 101 Ų | 101 | 112.9 Ų | 112.9 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | 62.6 | 122.3 | 72.4 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 301 | T | 35 | Very low | 32.3 | Very low | 127 Ų | 127 | 114.8 Ų | 114.8 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | cis | -142.1 | -179.1 | 3.4 | 58 | 0 | 0 | 0 | 0 | 109 | ||||
| 302 | T | 41.6 | Very low | 32.3 | Very low | 133 Ų | 133 | 113.6 Ų | 113.6 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | cis | -153.3 | 159.2 | 18.1 | 4.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 303 | A | 30.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -92.8 | 166.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 304 | L | 34.5 | Very low | 32.1 | Very low | 162 Ų | 162 | 113.5 Ų | 113.5 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | -172.3 | 128.6 | 119.2 | -97.6 | 165.1 | 0 | 0 | 0 | 113 | |||||
| 305 | T | 33.4 | Very low | 32.1 | Very low | 137 Ų | 137 | 109 Ų | 109 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | 50.6 | 110.1 | 150.4 | -37.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 306 | G | 34.6 | Very low | 32 | Very low | 79 Ų | 79 | 107.9 Ų | 107.9 | 81% | 0.814 | 74% | 0.742 | S | S | * | * | trans | 169.5 | 83.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 307 | G | 30.8 | Very low | 31.5 | Very low | 73 Ų | 73 | 113 Ų | 113 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -84.5 | 177.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | V | 31.8 | Very low | 30.7 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | cis | -145 | 143.7 | 13.8 | 166 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 309 | T | 32.9 | Very low | 30.5 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 19.4 | 131.7 | 169 | 58.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 310 | A | 25.1 | Very low | 30.3 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -110 | 127.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 311 | S | 30.8 | Very low | 30.2 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 175.7 | 104.4 | 156.8 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 312 | S | 26.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | 90.3 | 138.8 | 73.7 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 313 | L | 29.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 74.1 | 119.8 | -175.6 | -49.5 | 169.7 | 0 | 0 | 0 | 112.4 | ||||
| 314 | S | 24.4 | Very low | 29.7 | Very low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | 66.9 | 125.6 | 63.2 | -72.2 | 0 | 0 | 0 | 0 | 113.2 | E379 | S314-E379 WeakPolarHBondContact CB-OE1 3.48Å; S314-E379 PolarHBondContact OG-OE1 3.37Å | |||
| 315 | S | 30.6 | Very low | 29.5 | Very low | 73 Ų | 73 | 125.6 Ų | 125.6 | 51% | 0.51 | 76% | 0.764 | S | S | . | * | cis | -151.5 | 125.2 | -11.6 | -75.3 | 0 | 0 | 0 | 0 | 106.3 | E379 | S315-E379 PolarHBondContact OG-OE1 3.05Š| ||
| 316 | E | 27.6 | Very low | 29.3 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | 82.1 | 149.3 | 89.9 | -141.2 | -177.2 | -148.7 | 0 | 0 | 114.4 | |||||
| 317 | W | 25.7 | Very low | 29.2 | Very low | 187 Ų | 187 | 127.8 Ų | 127.8 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | 56.7 | 110.2 | 176.4 | -52.4 | 98.7 | 0 | 0 | 0 | 120.3 | ||||
| 318 | N | 29.9 | Very low | 29.7 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | -149.8 | 143.8 | 106.9 | -145.2 | -24.4 | 0 | 0 | 0 | 110.7 | |||||
| 319 | E | 24 | Very low | 29.7 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 60% | 0.603 | 76% | 0.759 | S | S | * | * | trans | -106.3 | 172.4 | -168.2 | -157.1 | 178.3 | 174.6 | 0 | 0 | 112.9 | ||||
| 320 | M | 25.3 | Very low | 29.5 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 77% | 0.768 | 76% | 0.762 | S | S | * | * | trans | -23.6 | 127.8 | -178.3 | -79.8 | 94.5 | 60.7 | 0 | 0 | 118.2 | ||||
| 321 | A | 30.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -107.5 | 121.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 322 | P | 34.5 | Very low | 29.8 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -86.7 | 121.3 | 174 | 32.1 | -30.8 | 0 | 0 | 0 | 111.3 | ||||
| 323 | G | 27.8 | Very low | 30.1 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -117 | 128.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 324 | Y | 34 | Very low | 30.1 | Very low | 208 Ų | 208 | 134.3 Ų | 134.3 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | -138 | 148.8 | 177.2 | 52.3 | -95.7 | 0 | 0 | 0 | 107.7 | ||||
| 325 | D | 29.8 | Very low | 30.6 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | cis | -148.2 | 168.6 | -18.7 | -153 | -21.5 | 0 | 0 | 0 | 107.4 | ||||
| 326 | L | 29.7 | Very low | 30.5 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -77.2 | 150.3 | 174.7 | -69.1 | 166.6 | 0 | 0 | 0 | 109.4 | ||||
| 327 | C | 31.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | cis | 177.1 | -166.4 | 41.1 | -125.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 328 | P | 42.8 | Very low | 30.7 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | cis | -131.8 | 171 | -48.4 | 36.4 | -20.7 | 0 | 0 | 0 | 113.4 | ||||
| 329 | T | 30.3 | Very low | 30.5 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -168.7 | 154.5 | 131.9 | -73.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 330 | E | 29.5 | Very low | 30.8 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -95.5 | 160.1 | -159.9 | -58.9 | 171.6 | 146.1 | 0 | 0 | 114.9 | ||||
| 331 | E | 25.6 | Very low | 30.9 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 5 | 170.4 | 147.5 | -89.6 | -156.1 | 134.3 | 0 | 0 | 123.6 | ||||
| 332 | P | 36.4 | Very low | 30.8 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | cis | -137 | -170.8 | 0.2 | 23.7 | 2.5 | 0 | 0 | 0 | 116.1 | ||||
| 333 | T | 33.3 | Very low | 30.6 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 94.7 | 108.5 | 158.1 | 72.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 334 | V | 29.4 | Very low | 30.7 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 98.4 | 138.3 | 58 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 335 | Y | 33.8 | Very low | 30.5 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 90.8 | 81.9 | 169.5 | -69.8 | -64.2 | 0 | 0 | 0 | 119.9 | ||||
| 336 | D | 28.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | 65.9 | 117.5 | 111.2 | -69.1 | -10.2 | 0 | 0 | 0 | 123.5 | |||||
| 337 | T | 29.1 | Very low | 30.3 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | 70.4 | 107.4 | 134 | 61.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 338 | N | 28.4 | Very low | 30.1 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | 38.5 | 101.1 | 118.8 | -56.7 | -11.3 | 0 | 0 | 0 | 118.3 | |||||
| 339 | Y | 27.1 | Very low | 29.4 | Very low | 231 Ų | 231 | 142.2 Ų | 142.2 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | -167.5 | 150.2 | 121.9 | -101.8 | -68.8 | 0 | 0 | 0 | 109.6 | |||||
| 340 | S | 28.9 | Very low | 29.3 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -154.7 | 107.6 | 158 | -156.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 341 | S | 28.1 | Very low | 29.2 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 52% | 0.517 | 74% | 0.741 | S | S | . | * | trans | -119 | 109.1 | 171.4 | -66.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 342 | D | 29.5 | Very low | 29.4 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 54% | 0.535 | 73% | 0.734 | S | S | . | * | trans | 64.3 | 157.3 | 156.9 | -62.4 | -56.1 | 0 | 0 | 0 | 120.3 | K267 | K267-D342 WeakPolarHBondContact CD-OD2 3.48Å; K267-D342 WeakPolarHBondContact CE-OD1 3.5Å; K267-D342 IonicContact NZ-OD1 2.67Å; K267-D342 PolarHBondContact NZ-OD1 3.32Å; K267-D342 IonicContact NZ-OD2 3.52Å | ||
| 343 | L | 30 | Very low | 29.1 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | -84.8 | 150 | -177.6 | -125.7 | 73.3 | 0 | 0 | 0 | 110.3 | ||||
| 344 | E | 28.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | -161.8 | 141.2 | 110.5 | -112.4 | -163.8 | -132.4 | 0 | 0 | 113.3 | |||||
| 345 | N | 31 | Very low | 30 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 57% | 0.572 | 74% | 0.74 | S | S | * | * | trans | 46.4 | 138.8 | 137.8 | -71.2 | -29.1 | 0 | 0 | 0 | 121.5 | ||||
| 346 | M | 27 | Very low | 30.2 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | cis | -161.7 | 160.9 | 15.4 | -124.9 | -66.2 | 165.8 | 0 | 0 | 113.2 | ||||
| 347 | S | 28.6 | Very low | 31.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | trans | 74.5 | 122.9 | 149.6 | -155.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 348 | S | 26.9 | Very low | 32.4 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 75.7 | 100.3 | 142.1 | -61.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 349 | R | 27.6 | Very low | 33.9 | Very low | 236 Ų | 236 | 138.8 Ų | 138.8 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | 125.7 | 125.7 | 111.4 | -158.9 | 173.5 | -160.6 | -176.6 | 6.8 | 116.6 | |||||
| 350 | K | 29.2 | Very low | 35.6 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | trans | 75.8 | 115.6 | 172 | -75.6 | 177.6 | 175.4 | -174.3 | 0 | 118.7 | ||||
| 351 | Q | 27 | Very low | 37.7 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | 34.4 | 122.3 | 129.4 | -61 | 168 | -58.5 | 0 | 0 | 117.2 | |||||
| 352 | K | 28.7 | Very low | 39.7 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | -161.1 | 146.9 | 57.5 | -125.9 | -168.7 | 178.7 | -134.5 | 0 | 115.1 | |||||
| 353 | E | 30.3 | Very low | 41.9 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | trans | 21.9 | 109.3 | 141.7 | -64.8 | 150.5 | -156.1 | 0 | 0 | 120.6 | ||||
| 354 | N | 36.8 | Very low | 44.2 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | 169.2 | 164.4 | 122.3 | -97.2 | -33.9 | 0 | 0 | 0 | 113 | |||||
| 355 | P | 44.8 | Very low | 46.7 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | cis | -123.8 | 166.4 | -27.7 | 37.2 | -23.8 | 0 | 0 | 0 | 112.4 | ||||
| 356 | V | 39.4 | Very low | 49.1 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | trans | -69.4 | 133.1 | 163.9 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | S358 | V356-S358 PolarHBondContact O-N 2.78Š| ||
| 357 | V | 48.9 | Very low | 51.9 | Low | 112 Ų | 112 | 125 Ų | 125 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | trans | -65.2 | 99.7 | 164.3 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | I359 | V357-I359 PolarHBondContact O-N 3.01Š| ||
| 358 | S | 54 | Low | 54.6 | Low | 62 Ų | 62 | 126.3 Ų | 126.3 | 43% | 0.434 | 66% | 0.656 | S | S | . | * | trans | -63 | 138.4 | -174.8 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | V356 A360 T361 | V356-S358 PolarHBondContact O-N 2.78Å; S358-A360 PolarHBondContact O-N 3.37Å; S358-A360 VanDerWaalsContact O-N 3.12Å; S358-A360 PolarHBondContact OG-N 3.44Å; S358-T361 WeakPolarHBondContact O-CB 3.46Å; S358-T361 PolarHBondContact O-N 2.94Å | ||
| 359 | I | 59.9 | Low | 57.3 | Low | 129 Ų | 129 | 127.2 Ų | 127.2 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -53.9 | -33.7 | 175.4 | -66.2 | 171.6 | 0 | 0 | 0 | 110.2 | V357 T361 L362 Q363 | V357-I359 PolarHBondContact O-N 3.01Å; I359-T361 VanDerWaalsContact C-N 3.27Å; I359-T361 PolarHBondContact O-N 2.67Å; I359-L362 PolarHBondContact O-N 2.69Å; I359-L362 VanDerWaalsContact O-N 3.16Å; I359-Q363 HydrophobicContact CG2-CG 4.05Å; I359-Q363 WeakPolarHBondContact O-CG 3.49Å; I359-Q363 PolarHBondContact O-N 3.44Å |
| 360 | A | 63.7 | Low | 60 | Low | 59 Ų | 59 | 120.4 Ų | 120.4 | 49% | 0.488 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -55.7 | -34.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S358 G364 | S358-A360 PolarHBondContact O-N 3.37Å; S358-A360 VanDerWaalsContact O-N 3.12Å; S358-A360 PolarHBondContact OG-N 3.44Å; A360-G364 PolarHBondContact O-N 2.89Å |
| 361 | T | 71.5 | Confident | 62.5 | Low | 99 Ų | 99 | 118 Ų | 118 | 61% | 0.607 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.6 | -30.9 | -179.3 | -44.6 | 0 | 0 | 0 | 0 | 112 | S358 I359 R365 | S358-T361 WeakPolarHBondContact O-CB 3.46Å; S358-T361 PolarHBondContact O-N 2.94Å; I359-T361 VanDerWaalsContact C-N 3.27Å; I359-T361 PolarHBondContact O-N 2.67Å; T361-R365 PolarHBondContact O-N 2.93Å |
| 362 | L | 69.7 | Low | 65.3 | Low | 119 Ų | 119 | 112 Ų | 112 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.4 | -39.3 | 171.8 | -69 | 175.3 | 0 | 0 | 0 | 111.4 | I359 R365 L366 | I359-L362 PolarHBondContact O-N 2.69Å; I359-L362 VanDerWaalsContact O-N 3.16Å; L362-R365 PolarHBondContact O-N 3.09Å; L362-L366 WeakPolarHBondContact O-CB 3.17Å; L362-L366 PolarHBondContact O-N 3Å |
| 363 | Q | 75.8 | Confident | 68 | Low | 124 Ų | 124 | 109.2 Ų | 109.2 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.2 | -48.7 | 171.9 | -75.8 | -179.4 | -71.1 | 0 | 0 | 111.5 | I359 R365 L366 L367 | I359-Q363 HydrophobicContact CG2-CG 4.05Å; I359-Q363 WeakPolarHBondContact O-CG 3.49Å; I359-Q363 PolarHBondContact O-N 3.44Å; Q363-R365 VanDerWaalsContact C-N 3.28Å; Q363-R365 PolarHBondContact O-N 2.86Å; Q363-L366 PolarHBondContact O-N 3.47Å; Q363-L366 VanDerWaalsContact O-N 3.13Å; Q363-L367 WeakPolarHBondContact O-CB 3.42Å; Q363-L367 PolarHBondContact O-N 3.49Å |
| 364 | G | 78.8 | Confident | 70.7 | Confident | 41 Ų | 41 | 110.5 Ų | 110.5 | 42% | 0.423 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.5 | -35.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A360 Q368 | A360-G364 PolarHBondContact O-N 2.89Å; G364-Q368 WeakPolarHBondContact O-CB 3.43Å; G364-Q368 PolarHBondContact O-N 3.47Å; G364-Q368 VanDerWaalsContact O-N 3.11Å |
| 365 | R | 81.4 | Confident | 73.2 | Confident | 188 Ų | 188 | 105.7 Ų | 105.7 | 71% | 0.709 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.8 | -29.2 | 175.8 | -165.4 | 174.2 | -175 | 95.8 | 6.2 | 113.2 | T361 L362 Q363 M369 | T361-R365 PolarHBondContact O-N 2.93Å; L362-R365 PolarHBondContact O-N 3.09Å; Q363-R365 VanDerWaalsContact C-N 3.28Å; Q363-R365 PolarHBondContact O-N 2.86Å; R365-M369 WeakPolarHBondContact O-CB 3.49Å; R365-M369 PolarHBondContact O-N 3.21Å |
| 366 | L | 81.4 | Confident | 75.3 | Confident | 97 Ų | 97 | 104.5 Ų | 104.5 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.3 | -46.9 | 172.2 | -169.8 | 124.8 | 0 | 0 | 0 | 110.3 | L362 Q363 Q368 M369 E370 | L362-L366 WeakPolarHBondContact O-CB 3.17Å; L362-L366 PolarHBondContact O-N 3Å; Q363-L366 PolarHBondContact O-N 3.47Å; Q363-L366 VanDerWaalsContact O-N 3.13Å; L366-Q368 PolarHBondContact O-N 2.99Å; L366-M369 CarbonylContact O-C 3.59Å; L366-M369 WeakPolarHBondContact O-CA 3.46Å; L366-M369 WeakPolarHBondContact O-CB 3.28Å; L366-M369 PolarHBondContact O-N 3.15Å; L366-E370 HydrophobicContact CD2-CG 4.37Å; L366-E370 PolarHBondContact O-N 3.19Å |
| 367 | L | 84.7 | Confident | 77.8 | Confident | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 176.9 | -160.3 | 83.5 | 0 | 0 | 0 | 111.5 | Q363 M369 E370 E371 | Q363-L367 WeakPolarHBondContact O-CB 3.42Å; Q363-L367 PolarHBondContact O-N 3.49Å; L367-M369 PolarHBondContact O-N 3.33Å; L367-E370 PolarHBondContact O-N 2.99Å; L367-E370 VanDerWaalsContact O-N 3.15Å; L367-E371 VanDerWaalsContact O-CB 3.25Å; L367-E371 WeakPolarHBondContact O-CB 3.37Å; L367-E371 PolarHBondContact O-N 2.9Å |
| 368 | Q | 86.2 | Confident | 79.8 | Confident | 123 Ų | 123 | 102.9 Ų | 102.9 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -28.7 | 175.4 | -176.6 | 173 | 54.3 | 0 | 0 | 113 | G364 L366 A372 | G364-Q368 WeakPolarHBondContact O-CB 3.43Å; G364-Q368 PolarHBondContact O-N 3.47Å; G364-Q368 VanDerWaalsContact O-N 3.11Å; L366-Q368 PolarHBondContact O-N 2.99Å; Q368-A372 WeakPolarHBondContact O-CB 3.37Å; Q368-A372 PolarHBondContact O-N 2.66Å; Q368-A372 VanDerWaalsContact O-N 3.12Å |
| 369 | M | 84.1 | Confident | 81.5 | Confident | 125 Ų | 125 | 103.7 Ų | 103.7 | 62% | 0.616 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -84.6 | -25.7 | 177.9 | -162.8 | 175 | 72 | 0 | 0 | 112.5 | R365 L366 L367 N373 | R365-M369 WeakPolarHBondContact O-CB 3.49Å; R365-M369 PolarHBondContact O-N 3.21Å; L366-M369 CarbonylContact O-C 3.59Å; L366-M369 WeakPolarHBondContact O-CA 3.46Å; L366-M369 WeakPolarHBondContact O-CB 3.28Å; L366-M369 PolarHBondContact O-N 3.15Å; L367-M369 PolarHBondContact O-N 3.33Å; M369-N373 WeakPolarHBondContact O-CB 3.4Å; M369-N373 PolarHBondContact O-N 2.99Å; M369-N373 PolarHBondContact O-ND2 3.42Å |
| 370 | E | 83.5 | Confident | 83.2 | Confident | 93 Ų | 93 | 102 Ų | 102 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.6 | -47.7 | 166.4 | -69.1 | 176.3 | 137.8 | 0 | 0 | 110.5 | L366 L367 A372 N373 Y374 | L366-E370 HydrophobicContact CD2-CG 4.37Å; L366-E370 PolarHBondContact O-N 3.19Å; L367-E370 PolarHBondContact O-N 2.99Å; L367-E370 VanDerWaalsContact O-N 3.15Å; E370-A372 PolarHBondContact O-N 3.25Å; E370-N373 CarbonylContact O-C 3.54Å; E370-N373 WeakPolarHBondContact O-CA 3.09Å; E370-N373 WeakPolarHBondContact O-CB 3.5Å; E370-N373 PolarHBondContact O-N 3.44Å; E370-Y374 WeakPolarHBondContact O-CD2 3.37Å; E370-Y374 PolarHBondContact O-N 3.43Å |
| 371 | E | 83 | Confident | 84.5 | Confident | 123 Ų | 123 | 104.8 Ų | 104.8 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.3 | -46.7 | 178.6 | -171.9 | 170.5 | -122.9 | 0 | 0 | 112 | L367 N373 Y374 T375 | L367-E371 VanDerWaalsContact O-CB 3.25Å; L367-E371 WeakPolarHBondContact O-CB 3.37Å; L367-E371 PolarHBondContact O-N 2.9Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 2.91Å; E371-Y374 WeakPolarHBondContact O-CB 3.32Å; E371-Y374 PolarHBondContact O-N 3.05Å; E371-T375 PolarHBondContact O-N 3.18Å; E371-T375 PolarHBondContact O-OG1 2.87Å |
| 372 | A | 85.5 | Confident | 85.4 | Confident | 49 Ų | 49 | 102.8 Ų | 102.8 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -31.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q368 E370 T376 | Q368-A372 WeakPolarHBondContact O-CB 3.37Å; Q368-A372 PolarHBondContact O-N 2.66Å; Q368-A372 VanDerWaalsContact O-N 3.12Å; E370-A372 PolarHBondContact O-N 3.25Å; A372-T376 WeakPolarHBondContact O-CB 3.21Å; A372-T376 PolarHBondContact O-N 3.41Å; A372-T376 PolarHBondContact O-OG1 2.86Å |
| 373 | N | 84.8 | Confident | 86.5 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.5 | -38.4 | 171.8 | -95 | -37.3 | 0 | 0 | 0 | 111.3 | M369 E370 E371 T376 N377 | M369-N373 WeakPolarHBondContact O-CB 3.4Å; M369-N373 PolarHBondContact O-N 2.99Å; M369-N373 PolarHBondContact O-ND2 3.42Å; E370-N373 CarbonylContact O-C 3.54Å; E370-N373 WeakPolarHBondContact O-CA 3.09Å; E370-N373 WeakPolarHBondContact O-CB 3.5Å; E370-N373 PolarHBondContact O-N 3.44Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 2.91Å; N373-T376 PolarHBondContact O-N 3.03Å; N373-N377 VanDerWaalsContact O-CB 3.23Å; N373-N377 WeakPolarHBondContact O-CB 3.37Å; N373-N377 PolarHBondContact O-N 3.34Å |
| 374 | Y | 86.6 | Confident | 87.4 | Confident | 168 Ų | 168 | 99.6 Ų | 99.6 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -48.4 | 174.2 | -90.4 | -77.6 | 0 | 0 | 0 | 111.3 | E370 E371 T376 N377 E378 | E370-Y374 WeakPolarHBondContact O-CD2 3.37Å; E370-Y374 PolarHBondContact O-N 3.43Å; E371-Y374 WeakPolarHBondContact O-CB 3.32Å; E371-Y374 PolarHBondContact O-N 3.05Å; Y374-T376 PolarHBondContact O-N 3.46Å; Y374-N377 PolarHBondContact O-N 3.5Å; Y374-N377 VanDerWaalsContact O-N 3.15Å; Y374-E378 PolarHBondContact O-N 3.35Å |
| 375 | T | 89.4 | Confident | 88.1 | Confident | 58 Ų | 58 | 102.2 Ų | 102.2 | 36% | 0.356 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.2 | 2.8 | 0 | 0 | 0 | 0 | 111.9 | E371 N377 E378 E379 | E371-T375 PolarHBondContact O-N 3.18Å; E371-T375 PolarHBondContact O-OG1 2.87Å; T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 3.22Å; T375-E378 PolarHBondContact O-N 3.4Å; T375-E379 PolarHBondContact O-N 3.41Å |
| 376 | T | 89.5 | Confident | 88.6 | Confident | 84 Ų | 84 | 99.6 Ų | 99.6 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | 177.1 | -53 | 0 | 0 | 0 | 0 | 111.6 | A372 N373 Y374 L380 | A372-T376 WeakPolarHBondContact O-CB 3.21Å; A372-T376 PolarHBondContact O-N 3.41Å; A372-T376 PolarHBondContact O-OG1 2.86Å; N373-T376 PolarHBondContact O-N 3.03Å; Y374-T376 PolarHBondContact O-N 3.46Å; T376-L380 WeakPolarHBondContact O-CB 3.38Å; T376-L380 PolarHBondContact O-N 2.88Å; T376-L380 VanDerWaalsContact O-N 3.13Å |
| 377 | N | 90.9 | Very high | 89.2 | Confident | 79 Ų | 79 | 100.3 Ų | 100.3 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.3 | -35.9 | 177 | -175.3 | 64.2 | 0 | 0 | 0 | 112.3 | N373 Y374 T375 L380 Q381 | N373-N377 VanDerWaalsContact O-CB 3.23Å; N373-N377 WeakPolarHBondContact O-CB 3.37Å; N373-N377 PolarHBondContact O-N 3.34Å; Y374-N377 PolarHBondContact O-N 3.5Å; Y374-N377 VanDerWaalsContact O-N 3.15Å; T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 3.22Å; N377-L380 PolarHBondContact O-N 3.18Å; N377-Q381 WeakPolarHBondContact O-CG 3.23Å; N377-Q381 PolarHBondContact O-N 3.22Å |
| 378 | E | 91.9 | Very high | 89.6 | Confident | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | 171.4 | -75.9 | -167.6 | 125.5 | 0 | 0 | 112.1 | Y374 T375 L380 Q381 A382 | Y374-E378 PolarHBondContact O-N 3.35Å; T375-E378 PolarHBondContact O-N 3.4Å; E378-L380 PolarHBondContact O-N 3.25Å; E378-Q381 PolarHBondContact O-N 3.01Å; E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 2.88Å |
| 379 | E | 89.8 | Confident | 89.9 | Confident | 79 Ų | 79 | 101 Ų | 101 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -34.7 | 174.2 | -72.5 | -168.2 | 166.8 | 0 | 0 | 111.9 | S314 S315 T375 T383 | S314-E379 WeakPolarHBondContact CB-OE1 3.48Å; S314-E379 PolarHBondContact OG-OE1 3.37Å; S315-E379 PolarHBondContact OG-OE1 3.05Å; T375-E379 PolarHBondContact O-N 3.41Å; E379-T383 WeakPolarHBondContact O-CG2 3.41Å; E379-T383 PolarHBondContact O-N 3.25Å; E379-T383 PolarHBondContact O-OG1 3.11Å |
| 380 | L | 94.2 | Very high | 90.4 | Very high | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.1 | -34.6 | 177.6 | -158.6 | 148.5 | 0 | 0 | 0 | 112.4 | T376 N377 E378 T383 L384 | T376-L380 WeakPolarHBondContact O-CB 3.38Å; T376-L380 PolarHBondContact O-N 2.88Å; T376-L380 VanDerWaalsContact O-N 3.13Å; N377-L380 PolarHBondContact O-N 3.18Å; E378-L380 PolarHBondContact O-N 3.25Å; L380-T383 WeakPolarHBondContact CA-OG1 3.39Å; L380-T383 PolarHBondContact O-OG1 2.91Å; L380-L384 HydrophobicContact CD2-CD1 3.78Å; L380-L384 HydrophobicContact CD2-CG 4.34Å; L380-L384 WeakPolarHBondContact O-CB 3.36Å; L380-L384 VanDerWaalsContact O-CG 3.28Å; L380-L384 WeakPolarHBondContact O-CG 3.24Å; L380-L384 PolarHBondContact O-N 2.98Å |
| 381 | Q | 92.2 | Very high | 90.7 | Very high | 118 Ų | 118 | 100.4 Ų | 100.4 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.9 | -41.8 | 170.3 | -74.8 | -174.5 | 2.3 | 0 | 0 | 112 | N377 E378 L384 Q385 | N377-Q381 WeakPolarHBondContact O-CG 3.23Å; N377-Q381 PolarHBondContact O-N 3.22Å; E378-Q381 PolarHBondContact O-N 3.01Å; Q381-L384 PolarHBondContact O-N 3.06Å; Q381-Q385 PolarHBondContact O-N 3.1Å |
| 382 | A | 91.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | E378 Q385 E386 | E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 2.88Å; A382-Q385 PolarHBondContact O-N 3.3Å; A382-E386 PolarHBondContact O-N 3.21Å |
| 383 | T | 91.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.2 | -28.8 | 175.9 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | E379 L380 L387 | E379-T383 WeakPolarHBondContact O-CG2 3.41Å; E379-T383 PolarHBondContact O-N 3.25Å; E379-T383 PolarHBondContact O-OG1 3.11Å; L380-T383 WeakPolarHBondContact CA-OG1 3.39Å; L380-T383 PolarHBondContact O-OG1 2.91Å; T383-L387 WeakPolarHBondContact O-CB 3.42Å; T383-L387 VanDerWaalsContact O-CG 3.26Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å; T383-L387 PolarHBondContact O-N 2.88Å; T383-L387 VanDerWaalsContact O-N 3.13Å |
| 384 | L | 93.9 | Very high | 91.8 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 167.5 | -78.4 | 171.4 | 0 | 0 | 0 | 112.1 | L380 Q381 L387 W388 | L380-L384 HydrophobicContact CD2-CD1 3.78Å; L380-L384 HydrophobicContact CD2-CG 4.34Å; L380-L384 WeakPolarHBondContact O-CB 3.36Å; L380-L384 VanDerWaalsContact O-CG 3.28Å; L380-L384 WeakPolarHBondContact O-CG 3.24Å; L380-L384 PolarHBondContact O-N 2.98Å; Q381-L384 PolarHBondContact O-N 3.06Å; L384-L387 PolarHBondContact O-N 3.25Å; L384-W388 WeakPolarHBondContact O-CB 3.42Å; L384-W388 PolarHBondContact O-N 2.88Å |
| 385 | Q | 93.7 | Very high | 92 | Very high | 96 Ų | 96 | 97.2 Ų | 97.2 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 175.8 | -172.3 | 62.1 | 49.9 | 0 | 0 | 111.6 | Q381 A382 L387 W388 D389 | Q381-Q385 PolarHBondContact O-N 3.1Å; A382-Q385 PolarHBondContact O-N 3.3Å; Q385-L387 VanDerWaalsContact C-N 3.27Å; Q385-L387 PolarHBondContact O-N 2.87Å; Q385-W388 WeakPolarHBondContact O-CB 3.49Å; Q385-W388 PolarHBondContact O-N 3.42Å; Q385-D389 PolarHBondContact NE2-OD1 3.41Å; Q385-D389 PolarHBondContact NE2-OD2 2.85Å; Q385-D389 PolarHBondContact O-N 3.3Å |
| 386 | E | 91.9 | Very high | 92 | Very high | 133 Ų | 133 | 99.3 Ų | 99.3 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.4 | -41.4 | 173.2 | -80.5 | -161.2 | 137.6 | 0 | 0 | 111.8 | A382 W388 L390 | A382-E386 PolarHBondContact O-N 3.21Å; E386-W388 VanDerWaalsContact C-N 3.33Å; E386-W388 PolarHBondContact O-N 2.97Å; E386-L390 VanDerWaalsContact O-CB 3.24Å; E386-L390 WeakPolarHBondContact O-CB 3.41Å; E386-L390 WeakPolarHBondContact O-CD1 3.38Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.21Å |
| 387 | L | 94.6 | Very high | 92 | Very high | 112 Ų | 112 | 97.8 Ų | 97.8 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -33.2 | 176.2 | -74.6 | 170.8 | 0 | 0 | 0 | 112.9 | T383 L384 Q385 Q391 | T383-L387 WeakPolarHBondContact O-CB 3.42Å; T383-L387 VanDerWaalsContact O-CG 3.26Å; T383-L387 WeakPolarHBondContact O-CG 3.43Å; T383-L387 PolarHBondContact O-N 2.88Å; T383-L387 VanDerWaalsContact O-N 3.13Å; L384-L387 PolarHBondContact O-N 3.25Å; Q385-L387 VanDerWaalsContact C-N 3.27Å; Q385-L387 PolarHBondContact O-N 2.87Å; L387-Q391 WeakPolarHBondContact O-CB 3.21Å; L387-Q391 PolarHBondContact O-N 2.93Å |
| 388 | W | 92.8 | Very high | 92.1 | Very high | 163 Ų | 163 | 100.1 Ų | 100.1 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73 | -42.6 | 176.9 | -160 | 86.3 | 0 | 0 | 0 | 111.8 | L384 Q385 E386 Q391 R392 | L384-W388 WeakPolarHBondContact O-CB 3.42Å; L384-W388 PolarHBondContact O-N 2.88Å; Q385-W388 WeakPolarHBondContact O-CB 3.49Å; Q385-W388 PolarHBondContact O-N 3.42Å; E386-W388 VanDerWaalsContact C-N 3.33Å; E386-W388 PolarHBondContact O-N 2.97Å; W388-Q391 PolarHBondContact O-N 3.37Å; W388-R392 WeakPolarHBondContact O-CB 3.49Å; W388-R392 PolarHBondContact O-N 3.28Å |
| 389 | D | 93 | Very high | 92 | Very high | 79 Ų | 79 | 100.4 Ų | 100.4 | 42% | 0.422 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 175.6 | -65.9 | -19 | 0 | 0 | 0 | 111.6 | Q385 R392 S393 | Q385-D389 PolarHBondContact NE2-OD1 3.41Å; Q385-D389 PolarHBondContact NE2-OD2 2.85Å; Q385-D389 PolarHBondContact O-N 3.3Å; D389-R392 PolarHBondContact O-N 3.46Å; D389-S393 WeakPolarHBondContact O-CB 3.4Å; D389-S393 PolarHBondContact O-N 3.13Å |
| 390 | L | 93.6 | Very high | 92 | Very high | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 170.9 | -78.6 | 168 | 0 | 0 | 0 | 112.3 | E386 S393 V394 | E386-L390 VanDerWaalsContact O-CB 3.24Å; E386-L390 WeakPolarHBondContact O-CB 3.41Å; E386-L390 WeakPolarHBondContact O-CD1 3.38Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 3.21Å; L390-S393 PolarHBondContact O-N 3.03Å; L390-V394 WeakPolarHBondContact O-CG2 3.5Å; L390-V394 PolarHBondContact O-N 3.1Å |
| 391 | Q | 91.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.8 | 177.8 | 58.5 | 56.3 | 0 | 0 | 110.4 | L387 W388 S393 V394 D395 | L387-Q391 WeakPolarHBondContact O-CB 3.21Å; L387-Q391 PolarHBondContact O-N 2.93Å; W388-Q391 PolarHBondContact O-N 3.37Å; Q391-S393 VanDerWaalsContact C-N 3.32Å; Q391-S393 PolarHBondContact O-N 3.45Å; Q391-V394 WeakPolarHBondContact O-CB 3.41Å; Q391-V394 PolarHBondContact O-N 3.26Å; Q391-V394 VanDerWaalsContact O-N 3.09Å; Q391-D395 PolarHBondContact NE2-OD1 3.17Å; Q391-D395 PolarHBondContact NE2-OD2 2.81Å; Q391-D395 PolarHBondContact O-N 3.14Å |
| 392 | R | 91.8 | Very high | 91.6 | Very high | 136 Ų | 136 | 101.5 Ų | 101.5 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 174.2 | 179.7 | -177 | 173.4 | 123.1 | 15.9 | 112.2 | W388 D389 V394 D395 E396 | W388-R392 WeakPolarHBondContact O-CB 3.49Å; W388-R392 PolarHBondContact O-N 3.28Å; D389-R392 PolarHBondContact O-N 3.46Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.46Å; R392-D395 PolarHBondContact O-N 3.33Å; R392-E396 HydrophobicContact CG-CG 4.44Å; R392-E396 IonicContact CZ-OE1 3.38Å; R392-E396 IonicContact NE-OE1 2.71Å; R392-E396 PolarHBondContact NE-OE1 3.48Å; R392-E396 IonicContact NH2-OE1 3.74Å; R392-E396 PolarHBondContact NH2-OE1 3Å; R392-E396 WeakPolarHBondContact O-CG 3.08Å; R392-E396 PolarHBondContact O-N 2.83Å |
| 393 | S | 91.5 | Very high | 91.5 | Very high | 69 Ų | 69 | 101.6 Ų | 101.6 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -31.7 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | D389 L390 Q391 A397 | D389-S393 WeakPolarHBondContact O-CB 3.4Å; D389-S393 PolarHBondContact O-N 3.13Å; L390-S393 PolarHBondContact O-N 3.03Å; Q391-S393 VanDerWaalsContact C-N 3.32Å; Q391-S393 PolarHBondContact O-N 3.45Å; S393-A397 VanDerWaalsContact O-CB 3.27Å; S393-A397 WeakPolarHBondContact O-CB 3.43Å; S393-A397 PolarHBondContact O-N 3.24Å; S393-A397 VanDerWaalsContact O-N 3.12Å |
| 394 | V | 91.9 | Very high | 91.4 | Very high | 89 Ų | 89 | 102.5 Ų | 102.5 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 171.8 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | L390 Q391 R392 A397 H398 | L390-V394 WeakPolarHBondContact O-CG2 3.5Å; L390-V394 PolarHBondContact O-N 3.1Å; Q391-V394 WeakPolarHBondContact O-CB 3.41Å; Q391-V394 PolarHBondContact O-N 3.26Å; Q391-V394 VanDerWaalsContact O-N 3.09Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.46Å; V394-A397 PolarHBondContact O-N 3.47Å; V394-H398 PolarHBondContact O-N 3.22Å |
| 395 | D | 90.7 | Very high | 91.2 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 179.9 | -63.2 | -35.9 | 0 | 0 | 0 | 111.7 | Q391 R392 A397 H398 E399 | Q391-D395 PolarHBondContact NE2-OD1 3.17Å; Q391-D395 PolarHBondContact NE2-OD2 2.81Å; Q391-D395 PolarHBondContact O-N 3.14Å; R392-D395 PolarHBondContact O-N 3.33Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3Å; D395-H398 WeakPolarHBondContact O-CB 3.47Å; D395-H398 PolarHBondContact O-N 3.01Å; D395-E399 PolarHBondContact O-N 3.22Å |
| 396 | E | 91 | Very high | 91 | Very high | 102 Ų | 102 | 100.2 Ų | 100.2 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 173 | -73.3 | 178.6 | 177.8 | 0 | 0 | 111.9 | R392 H398 E399 E400 | R392-E396 HydrophobicContact CG-CG 4.44Å; R392-E396 IonicContact CZ-OE1 3.38Å; R392-E396 IonicContact NE-OE1 2.71Å; R392-E396 PolarHBondContact NE-OE1 3.48Å; R392-E396 IonicContact NH2-OE1 3.74Å; R392-E396 PolarHBondContact NH2-OE1 3Å; R392-E396 WeakPolarHBondContact O-CG 3.08Å; R392-E396 PolarHBondContact O-N 2.83Å; E396-H398 VanDerWaalsContact C-N 3.33Å; E396-H398 PolarHBondContact O-N 2.94Å; E396-E399 PolarHBondContact O-N 3.25Å; E396-E400 PolarHBondContact O-N 3.42Å |
| 397 | A | 88.2 | Confident | 91 | Very high | 51 Ų | 51 | 99 Ų | 99 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.3 | -24.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S393 V394 D395 A401 | S393-A397 VanDerWaalsContact O-CB 3.27Å; S393-A397 WeakPolarHBondContact O-CB 3.43Å; S393-A397 PolarHBondContact O-N 3.24Å; S393-A397 VanDerWaalsContact O-N 3.12Å; V394-A397 PolarHBondContact O-N 3.47Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3Å; A397-A401 WeakPolarHBondContact O-CB 3.45Å; A397-A401 PolarHBondContact O-N 2.67Å; A397-A401 VanDerWaalsContact O-N 3.09Å |
| 398 | H | 92.5 | Very high | 90.8 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74 | -40.5 | 174.5 | -141.3 | 60.2 | 0 | 0 | 0 | 111.2 | V394 D395 E396 A401 H402 | V394-H398 PolarHBondContact O-N 3.22Å; D395-H398 WeakPolarHBondContact O-CB 3.47Å; D395-H398 PolarHBondContact O-N 3.01Å; E396-H398 VanDerWaalsContact C-N 3.33Å; E396-H398 PolarHBondContact O-N 2.94Å; H398-A401 PolarHBondContact O-N 2.91Å; H398-H402 PolarHBondContact O-N 3.07Å |
| 399 | E | 90.8 | Very high | 90.7 | Very high | 136 Ų | 136 | 96.9 Ų | 96.9 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | 174.2 | -168.7 | 61.5 | -158.2 | 0 | 0 | 111.5 | D395 E396 A401 H402 S403 | D395-E399 PolarHBondContact O-N 3.22Å; E396-E399 PolarHBondContact O-N 3.25Å; E399-A401 VanDerWaalsContact C-N 3.32Å; E399-A401 PolarHBondContact O-N 3.32Å; E399-H402 PolarHBondContact O-N 3Å; E399-H402 VanDerWaalsContact O-N 3.17Å; E399-S403 WeakPolarHBondContact O-CB 3.22Å; E399-S403 PolarHBondContact O-N 2.93Å |
| 400 | E | 90.5 | Very high | 90.6 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -42 | 173.1 | -171.3 | -179.3 | -158 | 0 | 0 | 111.4 | E396 H402 S403 L404 | E396-E400 PolarHBondContact O-N 3.42Å; E400-H402 VanDerWaalsContact C-N 3.33Å; E400-H402 PolarHBondContact O-N 3.27Å; E400-S403 PolarHBondContact O-N 3.32Å; E400-L404 HydrophobicContact CG-CD1 4.01Å; E400-L404 HydrophobicContact CG-CG 4.42Å; E400-L404 WeakPolarHBondContact O-CB 3.48Å; E400-L404 VanDerWaalsContact O-CG 3.3Å; E400-L404 WeakPolarHBondContact O-CG 3.35Å; E400-L404 PolarHBondContact O-N 3.04Å |
| 401 | A | 86.6 | Confident | 90.5 | Very high | 57 Ų | 57 | 98.2 Ų | 98.2 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | A397 H398 E399 A405 | A397-A401 WeakPolarHBondContact O-CB 3.45Å; A397-A401 PolarHBondContact O-N 2.67Å; A397-A401 VanDerWaalsContact O-N 3.09Å; H398-A401 PolarHBondContact O-N 2.91Å; E399-A401 VanDerWaalsContact C-N 3.32Å; E399-A401 PolarHBondContact O-N 3.32Å; A401-A405 WeakPolarHBondContact O-CB 3.12Å; A401-A405 PolarHBondContact O-N 2.94Å; A401-A405 VanDerWaalsContact O-N 3.07Å |
| 402 | H | 89.7 | Confident | 90.5 | Very high | 128 Ų | 128 | 98.1 Ų | 98.1 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.7 | -45.1 | 174.3 | -113.5 | -96.9 | 0 | 0 | 0 | 111.9 | H398 E399 E400 A405 F406 | H398-H402 PolarHBondContact O-N 3.07Å; E399-H402 PolarHBondContact O-N 3Å; E399-H402 VanDerWaalsContact O-N 3.17Å; E400-H402 VanDerWaalsContact C-N 3.33Å; E400-H402 PolarHBondContact O-N 3.27Å; H402-A405 WeakPolarHBondContact O-CB 3.47Å; H402-A405 PolarHBondContact O-N 2.91Å; H402-F406 PolarHBondContact O-N 3.09Å |
| 403 | S | 89.3 | Confident | 90.4 | Very high | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 112 | E399 E400 A405 F406 E407 | E399-S403 WeakPolarHBondContact O-CB 3.22Å; E399-S403 PolarHBondContact O-N 2.93Å; E400-S403 PolarHBondContact O-N 3.32Å; S403-A405 VanDerWaalsContact C-N 3.27Å; S403-A405 PolarHBondContact O-N 3.41Å; S403-F406 WeakPolarHBondContact O-CB 3.18Å; S403-F406 PolarHBondContact O-N 2.82Å; S403-E407 PolarHBondContact O-N 3.07Å |
| 404 | L | 90.2 | Very high | 90.3 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -29.5 | 175.8 | -70.9 | 171.1 | 0 | 0 | 0 | 113 | E400 R408 | E400-L404 HydrophobicContact CG-CD1 4.01Å; E400-L404 HydrophobicContact CG-CG 4.42Å; E400-L404 WeakPolarHBondContact O-CB 3.48Å; E400-L404 VanDerWaalsContact O-CG 3.3Å; E400-L404 WeakPolarHBondContact O-CG 3.35Å; E400-L404 PolarHBondContact O-N 3.04Å; L404-R408 WeakPolarHBondContact O-CB 3.5Å; L404-R408 PolarHBondContact O-N 3.27Å |
| 405 | A | 89.5 | Confident | 90.2 | Very high | 58 Ų | 58 | 97.5 Ų | 97.5 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A401 H402 S403 A409 | A401-A405 WeakPolarHBondContact O-CB 3.12Å; A401-A405 PolarHBondContact O-N 2.94Å; A401-A405 VanDerWaalsContact O-N 3.07Å; H402-A405 WeakPolarHBondContact O-CB 3.47Å; H402-A405 PolarHBondContact O-N 2.91Å; S403-A405 VanDerWaalsContact C-N 3.27Å; S403-A405 PolarHBondContact O-N 3.41Å; A405-A409 PolarHBondContact O-N 2.83Å |
| 406 | F | 89.5 | Confident | 90.1 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 40% | 0.404 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 175.1 | -176.9 | -114.7 | 0 | 0 | 0 | 112.2 | H402 S403 R408 A409 I410 | H402-F406 PolarHBondContact O-N 3.09Å; S403-F406 WeakPolarHBondContact O-CB 3.18Å; S403-F406 PolarHBondContact O-N 2.82Å; F406-R408 VanDerWaalsContact C-N 3.28Å; F406-R408 PolarHBondContact O-N 2.93Å; F406-A409 WeakPolarHBondContact O-CB 3.48Å; F406-A409 PolarHBondContact O-N 3.47Å; F406-I410 HydrophobicContact CD1-CD1 3.98Å; F406-I410 HydrophobicContact CE1-CD1 3.62Å; F406-I410 HydrophobicContact CE2-CD1 4.4Å; F406-I410 HydrophobicContact CZ-CD1 3.86Å; F406-I410 PolarHBondContact O-N 3.06Å; F406-I410 VanDerWaalsContact O-N 3.07Å |
| 407 | E | 92.5 | Very high | 90.1 | Very high | 108 Ų | 108 | 94.5 Ų | 94.5 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.9 | -43.9 | 172.2 | -72 | -161.3 | 151.8 | 0 | 0 | 111.5 | S403 A409 I410 L411 | S403-E407 PolarHBondContact O-N 3.07Å; E407-A409 VanDerWaalsContact C-N 3.31Å; E407-A409 PolarHBondContact O-N 3.34Å; E407-I410 PolarHBondContact O-N 2.92Å; E407-L411 WeakPolarHBondContact O-CB 3.49Å; E407-L411 WeakPolarHBondContact O-CG 3.35Å; E407-L411 PolarHBondContact O-N 2.97Å |
| 408 | R | 90.2 | Very high | 90.2 | Very high | 176 Ų | 176 | 96 Ų | 96 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.5 | -36.9 | 176.5 | 178.3 | 179.6 | 172.3 | -159.8 | -5.2 | 112.4 | L404 F406 L412 | L404-R408 WeakPolarHBondContact O-CB 3.5Å; L404-R408 PolarHBondContact O-N 3.27Å; F406-R408 VanDerWaalsContact C-N 3.28Å; F406-R408 PolarHBondContact O-N 2.93Å; R408-L412 HydrophobicContact CG-CD1 4.1Å; R408-L412 WeakPolarHBondContact O-CB 3.25Å; R408-L412 VanDerWaalsContact O-CG 3.27Å; R408-L412 WeakPolarHBondContact O-CG 3.38Å; R408-L412 PolarHBondContact O-N 2.92Å |
| 409 | A | 90 | Very high | 90.3 | Very high | 54 Ų | 54 | 92.7 Ų | 92.7 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | A405 F406 E407 L411 L412 E413 | A405-A409 PolarHBondContact O-N 2.83Å; F406-A409 WeakPolarHBondContact O-CB 3.48Å; F406-A409 PolarHBondContact O-N 3.47Å; E407-A409 VanDerWaalsContact C-N 3.31Å; E407-A409 PolarHBondContact O-N 3.34Å; A409-L411 VanDerWaalsContact C-N 3.33Å; A409-L411 PolarHBondContact O-N 3.05Å; A409-L412 PolarHBondContact O-N 3.06Å; A409-E413 PolarHBondContact O-N 3.08Å |
| 410 | I | 91.1 | Very high | 90.1 | Very high | 92 Ų | 92 | 89.8 Ų | 89.8 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 176.6 | -65.5 | 169.4 | 0 | 0 | 0 | 111 | F406 E407 L412 E413 A414 | F406-I410 HydrophobicContact CD1-CD1 3.98Å; F406-I410 HydrophobicContact CE1-CD1 3.62Å; F406-I410 HydrophobicContact CE2-CD1 4.4Å; F406-I410 HydrophobicContact CZ-CD1 3.86Å; F406-I410 PolarHBondContact O-N 3.06Å; F406-I410 VanDerWaalsContact O-N 3.07Å; E407-I410 PolarHBondContact O-N 2.92Å; I410-L412 PolarHBondContact O-N 2.93Å; I410-E413 PolarHBondContact O-N 2.78Å; I410-A414 WeakPolarHBondContact O-CB 3.48Å; I410-A414 PolarHBondContact O-N 3.12Å |
| 411 | L | 92.1 | Very high | 90.3 | Very high | 120 Ų | 120 | 88.8 Ų | 88.8 | 63% | 0.628 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.5 | -34.8 | 178.1 | -72 | 171.7 | 0 | 0 | 0 | 113 | E407 A409 L415 | E407-L411 WeakPolarHBondContact O-CB 3.49Å; E407-L411 WeakPolarHBondContact O-CG 3.35Å; E407-L411 PolarHBondContact O-N 2.97Å; A409-L411 VanDerWaalsContact C-N 3.33Å; A409-L411 PolarHBondContact O-N 3.05Å; L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.33Å; L411-L415 PolarHBondContact O-N 3.36Å |
| 412 | L | 91.7 | Very high | 90.6 | Very high | 98 Ų | 98 | 90.4 Ų | 90.4 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 174.3 | -76.3 | 168.3 | 0 | 0 | 0 | 112.1 | R408 A409 I410 L415 S416 | R408-L412 HydrophobicContact CG-CD1 4.1Å; R408-L412 WeakPolarHBondContact O-CB 3.25Å; R408-L412 VanDerWaalsContact O-CG 3.27Å; R408-L412 WeakPolarHBondContact O-CG 3.38Å; R408-L412 PolarHBondContact O-N 2.92Å; A409-L412 PolarHBondContact O-N 3.06Å; I410-L412 PolarHBondContact O-N 2.93Å; L412-L415 PolarHBondContact O-N 3.2Å; L412-S416 WeakPolarHBondContact O-CB 3.31Å; L412-S416 PolarHBondContact O-N 3.26Å |
| 413 | E | 89.8 | Confident | 90.4 | Very high | 133 Ų | 133 | 89.5 Ų | 89.5 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.4 | -37.8 | 175.7 | -173.6 | 163.4 | -163.7 | 0 | 0 | 112.5 | A409 I410 L415 S416 T417 | A409-E413 PolarHBondContact O-N 3.08Å; I410-E413 PolarHBondContact O-N 2.78Å; E413-L415 VanDerWaalsContact C-N 3.29Å; E413-L415 PolarHBondContact O-N 3.32Å; E413-S416 PolarHBondContact O-N 3.12Å; E413-S416 PolarHBondContact O-OG 2.86Å; E413-S416 VanDerWaalsContact O-OG 3.06Å; E413-T417 HydrophobicContact CG-CG2 4.5Å; E413-T417 WeakPolarHBondContact O-CB 3.48Å; E413-T417 WeakPolarHBondContact O-CG2 3.32Å; E413-T417 PolarHBondContact O-N 3Å; E413-T417 PolarHBondContact O-OG1 2.84Å |
| 414 | A | 89.2 | Confident | 90.5 | Very high | 41 Ų | 41 | 91.8 Ų | 91.8 | 34% | 0.339 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I410 T417 Q418 | I410-A414 WeakPolarHBondContact O-CB 3.48Å; I410-A414 PolarHBondContact O-N 3.12Å; A414-T417 PolarHBondContact O-OG1 2.77Å; A414-T417 VanDerWaalsContact O-OG1 3.13Å; A414-Q418 WeakPolarHBondContact O-CB 3.38Å; A414-Q418 WeakPolarHBondContact O-CG 3.39Å; A414-Q418 PolarHBondContact O-N 3.25Å |
| 415 | L | 89.8 | Confident | 90.4 | Very high | 108 Ų | 108 | 90.4 Ų | 90.4 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73.9 | -39.3 | 177.8 | -170.9 | 149.2 | 0 | 0 | 0 | 112.3 | L411 L412 E413 Q418 T419 | L411-L415 VanDerWaalsContact O-CB 3.31Å; L411-L415 WeakPolarHBondContact O-CB 3.33Å; L411-L415 PolarHBondContact O-N 3.36Å; L412-L415 PolarHBondContact O-N 3.2Å; E413-L415 VanDerWaalsContact C-N 3.29Å; E413-L415 PolarHBondContact O-N 3.32Å; L415-Q418 PolarHBondContact O-N 3.47Å; L415-T419 WeakPolarHBondContact O-CB 3.41Å; L415-T419 PolarHBondContact O-N 2.88Å; L415-T419 PolarHBondContact O-OG1 3.14Å |
| 416 | S | 88.9 | Confident | 90.4 | Very high | 65 Ų | 65 | 94.8 Ų | 94.8 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.8 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | L412 E413 T419 S420 | L412-S416 WeakPolarHBondContact O-CB 3.31Å; L412-S416 PolarHBondContact O-N 3.26Å; E413-S416 PolarHBondContact O-N 3.12Å; E413-S416 PolarHBondContact O-OG 2.86Å; E413-S416 VanDerWaalsContact O-OG 3.06Å; S416-T419 WeakPolarHBondContact O-CB 3.45Å; S416-T419 PolarHBondContact O-N 2.92Å; S416-S420 PolarHBondContact O-N 3.36Å |
| 417 | T | 89.9 | Confident | 90.4 | Very high | 59 Ų | 59 | 96.6 Ų | 96.6 | 36% | 0.362 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | E413 A414 K421 | E413-T417 HydrophobicContact CG-CG2 4.5Å; E413-T417 WeakPolarHBondContact O-CB 3.48Å; E413-T417 WeakPolarHBondContact O-CG2 3.32Å; E413-T417 PolarHBondContact O-N 3Å; E413-T417 PolarHBondContact O-OG1 2.84Å; A414-T417 PolarHBondContact O-OG1 2.77Å; A414-T417 VanDerWaalsContact O-OG1 3.13Å; T417-K421 VanDerWaalsContact O-CG 3.28Å; T417-K421 WeakPolarHBondContact O-CG 3.41Å; T417-K421 PolarHBondContact O-N 2.68Å |
| 418 | Q | 91.3 | Very high | 90.2 | Very high | 82 Ų | 82 | 95.9 Ų | 95.9 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 168.9 | -78.7 | -174.3 | 13.1 | 0 | 0 | 112.5 | A414 L415 K421 L422 G1001 | A414-Q418 WeakPolarHBondContact O-CB 3.38Å; A414-Q418 WeakPolarHBondContact O-CG 3.39Å; A414-Q418 PolarHBondContact O-N 3.25Å; L415-Q418 PolarHBondContact O-N 3.47Å; Q418-K421 PolarHBondContact O-N 2.73Å; Q418-L422 WeakPolarHBondContact O-CB 3.46Å; Q418-L422 PolarHBondContact O-N 2.86Å; Q418-G1001 PolarHBondContact NE2-O 2.66Å |
| 419 | T | 92.9 | Very high | 90 | Very high | 59 Ų | 59 | 92.7 Ų | 92.7 | 36% | 0.362 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L415 S416 K421 L422 E423 | L415-T419 WeakPolarHBondContact O-CB 3.41Å; L415-T419 PolarHBondContact O-N 2.88Å; L415-T419 PolarHBondContact O-OG1 3.14Å; S416-T419 WeakPolarHBondContact O-CB 3.45Å; S416-T419 PolarHBondContact O-N 2.92Å; T419-K421 PolarHBondContact O-N 2.9Å; T419-L422 WeakPolarHBondContact O-CB 3.43Å; T419-L422 PolarHBondContact O-N 3.48Å; T419-L422 VanDerWaalsContact O-N 3.13Å; T419-E423 WeakPolarHBondContact O-CG 3.38Å; T419-E423 PolarHBondContact O-N 3.16Å |
| 420 | S | 88.3 | Confident | 89.6 | Confident | 75 Ų | 75 | 93.8 Ų | 93.8 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | S416 L422 E423 H424 | S416-S420 PolarHBondContact O-N 3.36Å; S420-L422 PolarHBondContact O-N 3.31Å; S420-E423 PolarHBondContact O-N 3.19Å; S420-H424 WeakPolarHBondContact O-CB 3.36Å; S420-H424 PolarHBondContact O-N 3.22Å |
| 421 | K | 93.4 | Very high | 89.3 | Confident | 106 Ų | 106 | 94 Ų | 94 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 172.8 | -71.8 | 171.4 | -171.3 | -177.3 | 0 | 112 | T417 Q418 T419 E423 H424 C425 S1002 | T417-K421 VanDerWaalsContact O-CG 3.28Å; T417-K421 WeakPolarHBondContact O-CG 3.41Å; T417-K421 PolarHBondContact O-N 2.68Å; Q418-K421 PolarHBondContact O-N 2.73Å; T419-K421 PolarHBondContact O-N 2.9Å; K421-E423 PolarHBondContact O-N 3.24Å; K421-H424 PolarHBondContact O-N 3.2Å; K421-C425 PolarHBondContact O-N 2.88Å; K421-C425 PolarHBondContact O-SG 2.87Å; K421-S1002 PolarHBondContact NZ-OG 3.28Å |
| 422 | L | 92.5 | Very high | 88.7 | Confident | 91 Ų | 91 | 93.4 Ų | 93.4 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 177.9 | -176.1 | 68.2 | 0 | 0 | 0 | 112 | Q418 T419 S420 C425 R426 | Q418-L422 WeakPolarHBondContact O-CB 3.46Å; Q418-L422 PolarHBondContact O-N 2.86Å; T419-L422 WeakPolarHBondContact O-CB 3.43Å; T419-L422 PolarHBondContact O-N 3.48Å; T419-L422 VanDerWaalsContact O-N 3.13Å; S420-L422 PolarHBondContact O-N 3.31Å; L422-C425 PolarHBondContact O-N 3.14Å; L422-R426 WeakPolarHBondContact O-CB 3.4Å; L422-R426 VanDerWaalsContact O-CG 3.27Å; L422-R426 WeakPolarHBondContact O-CG 3.29Å; L422-R426 PolarHBondContact O-N 2.85Å |
| 423 | E | 87.3 | Confident | 88 | Confident | 110 Ų | 110 | 93.3 Ų | 93.3 | 51% | 0.514 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 175.7 | -71.5 | 180 | 161.7 | 0 | 0 | 112 | T419 S420 K421 R426 F427 | T419-E423 WeakPolarHBondContact O-CG 3.38Å; T419-E423 PolarHBondContact O-N 3.16Å; S420-E423 PolarHBondContact O-N 3.19Å; K421-E423 PolarHBondContact O-N 3.24Å; E423-R426 WeakPolarHBondContact O-CB 3.35Å; E423-R426 PolarHBondContact O-N 2.66Å; E423-F427 WeakPolarHBondContact O-CB 3.35Å; E423-F427 PolarHBondContact O-N 2.9Å |
| 424 | H | 89.8 | Confident | 87.2 | Confident | 109 Ų | 109 | 92.5 Ų | 92.5 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 172.9 | -169.2 | 78.9 | 0 | 0 | 0 | 111.8 | S420 K421 R426 F427 Q428 | S420-H424 WeakPolarHBondContact O-CB 3.36Å; S420-H424 PolarHBondContact O-N 3.22Å; K421-H424 PolarHBondContact O-N 3.2Å; H424-R426 PolarHBondContact O-N 3.47Å; H424-F427 PolarHBondContact O-N 2.72Å; H424-Q428 PolarHBondContact CD2-NE2 3.49Å; H424-Q428 PolarHBondContact NE2-NE2 2.86Å; H424-Q428 WeakPolarHBondContact O-CG 3.17Å; H424-Q428 PolarHBondContact O-N 3.18Å |
| 425 | C | 88.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 96.2 Ų | 96.2 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 174.7 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | K421 L422 F427 Q428 I429 | K421-C425 PolarHBondContact O-N 2.88Å; K421-C425 PolarHBondContact O-SG 2.87Å; L422-C425 PolarHBondContact O-N 3.14Å; C425-F427 VanDerWaalsContact C-N 3.33Å; C425-F427 PolarHBondContact O-N 3.3Å; C425-Q428 PolarHBondContact O-N 3.12Å; C425-I429 WeakPolarHBondContact O-CB 3.34Å; C425-I429 WeakPolarHBondContact O-CD1 3.3Å; C425-I429 VanDerWaalsContact O-CG1 3.25Å; C425-I429 WeakPolarHBondContact O-CG1 3.34Å; C425-I429 PolarHBondContact O-N 3.02Å |
| 426 | R | 89.6 | Confident | 84.7 | Confident | 151 Ų | 151 | 95.7 Ų | 95.7 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 172.8 | -76.4 | 168.2 | 174.4 | 176.5 | -0.5 | 111.8 | L422 E423 H424 I429 E430 | L422-R426 WeakPolarHBondContact O-CB 3.4Å; L422-R426 VanDerWaalsContact O-CG 3.27Å; L422-R426 WeakPolarHBondContact O-CG 3.29Å; L422-R426 PolarHBondContact O-N 2.85Å; E423-R426 WeakPolarHBondContact O-CB 3.35Å; E423-R426 PolarHBondContact O-N 2.66Å; H424-R426 PolarHBondContact O-N 3.47Å; R426-I429 PolarHBondContact O-N 3.48Å; R426-E430 WeakPolarHBondContact O-CB 3.38Å; R426-E430 PolarHBondContact O-N 3.34Å |
| 427 | F | 88.6 | Confident | 83.5 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68 | -40.6 | 177.7 | -175 | -127.6 | 0 | 0 | 0 | 112.2 | E423 H424 C425 E430 Q431 | E423-F427 WeakPolarHBondContact O-CB 3.35Å; E423-F427 PolarHBondContact O-N 2.9Å; H424-F427 PolarHBondContact O-N 2.72Å; C425-F427 VanDerWaalsContact C-N 3.33Å; C425-F427 PolarHBondContact O-N 3.3Å; F427-E430 PolarHBondContact O-N 3.24Å; F427-Q431 HydrophobicContact CE2-CG 4.43Å; F427-Q431 HydrophobicContact CZ-CG 4.45Å; F427-Q431 WeakPolarHBondContact O-CG 3.37Å; F427-Q431 PolarHBondContact O-N 2.71Å |
| 428 | Q | 88.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 171 | -70.8 | -179.2 | 0.2 | 0 | 0 | 111.9 | H424 C425 E430 Q431 L432 | H424-Q428 PolarHBondContact CD2-NE2 3.49Å; H424-Q428 PolarHBondContact NE2-NE2 2.86Å; H424-Q428 WeakPolarHBondContact O-CG 3.17Å; H424-Q428 PolarHBondContact O-N 3.18Å; C425-Q428 PolarHBondContact O-N 3.12Å; Q428-E430 VanDerWaalsContact C-N 3.32Å; Q428-E430 PolarHBondContact O-N 2.91Å; Q428-Q431 PolarHBondContact O-N 2.72Å; Q428-L432 WeakPolarHBondContact O-CG 3.26Å; Q428-L432 PolarHBondContact O-N 2.95Å |
| 429 | I | 85.3 | Confident | 80 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | 176.8 | -70.8 | 163.8 | 0 | 0 | 0 | 111 | C425 R426 L432 K433 | C425-I429 WeakPolarHBondContact O-CB 3.34Å; C425-I429 WeakPolarHBondContact O-CD1 3.3Å; C425-I429 VanDerWaalsContact O-CG1 3.25Å; C425-I429 WeakPolarHBondContact O-CG1 3.34Å; C425-I429 PolarHBondContact O-N 3.02Å; R426-I429 PolarHBondContact O-N 3.48Å; I429-L432 PolarHBondContact O-N 3.38Å; I429-K433 WeakPolarHBondContact O-CB 3.44Å; I429-K433 PolarHBondContact O-N 2.98Å |
| 430 | E | 83.2 | Confident | 77.9 | Confident | 77 Ų | 77 | 110.7 Ų | 110.7 | 36% | 0.36 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.9 | -32.9 | 178.9 | -165.2 | 57.6 | -139.2 | 0 | 0 | 112.5 | R426 F427 Q428 K433 H434 | R426-E430 WeakPolarHBondContact O-CB 3.38Å; R426-E430 PolarHBondContact O-N 3.34Å; F427-E430 PolarHBondContact O-N 3.24Å; Q428-E430 VanDerWaalsContact C-N 3.32Å; Q428-E430 PolarHBondContact O-N 2.91Å; E430-K433 IonicContact OE1-NZ 2.71Å; E430-K433 PolarHBondContact OE1-NZ 2.9Å; E430-K433 IonicContact OE2-NZ 2.6Å; E430-K433 PolarHBondContact OE2-NZ 3.4Å; E430-H434 WeakPolarHBondContact O-CB 3.27Å; E430-H434 PolarHBondContact O-N 2.64Å; E430-H434 IonicContact OE1-CD2 3.4Å |
| 431 | Q | 83.2 | Confident | 76.1 | Confident | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 169.5 | -76.5 | -173.8 | 38.5 | 0 | 0 | 112.2 | F427 Q428 K433 H434 L435 | F427-Q431 HydrophobicContact CE2-CG 4.43Å; F427-Q431 HydrophobicContact CZ-CG 4.45Å; F427-Q431 WeakPolarHBondContact O-CG 3.37Å; F427-Q431 PolarHBondContact O-N 2.71Å; Q428-Q431 PolarHBondContact O-N 2.72Å; Q431-K433 VanDerWaalsContact C-N 3.29Å; Q431-K433 PolarHBondContact O-N 3.44Å; Q431-H434 CarbonylContact O-C 3.56Å; Q431-H434 WeakPolarHBondContact O-CA 3.4Å; Q431-H434 WeakPolarHBondContact O-CB 3.48Å; Q431-H434 PolarHBondContact O-N 3.07Å; Q431-L435 WeakPolarHBondContact O-CD1 3.43Å; Q431-L435 PolarHBondContact O-N 2.87Å |
| 432 | L | 80.7 | Confident | 73.8 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.9 | -43.3 | 176.7 | -72.2 | 168.5 | 0 | 0 | 0 | 110.8 | Q428 I429 H434 L435 L436 | Q428-L432 WeakPolarHBondContact O-CG 3.26Å; Q428-L432 PolarHBondContact O-N 2.95Å; I429-L432 PolarHBondContact O-N 3.38Å; L432-H434 VanDerWaalsContact C-N 3.33Å; L432-H434 PolarHBondContact O-N 2.98Å; L432-L435 PolarHBondContact O-N 3.48Å; L432-L436 WeakPolarHBondContact O-CB 3.28Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.41Å; L432-L436 PolarHBondContact O-N 3.47Å |
| 433 | K | 77 | Confident | 71.6 | Confident | 96 Ų | 96 | 110.3 Ų | 110.3 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 172.4 | 173.3 | 162 | 159.7 | -87 | 0 | 112.3 | I429 E430 Q431 L437 | I429-K433 WeakPolarHBondContact O-CB 3.44Å; I429-K433 PolarHBondContact O-N 2.98Å; E430-K433 IonicContact OE1-NZ 2.71Å; E430-K433 PolarHBondContact OE1-NZ 2.9Å; E430-K433 IonicContact OE2-NZ 2.6Å; E430-K433 PolarHBondContact OE2-NZ 3.4Å; Q431-K433 VanDerWaalsContact C-N 3.29Å; Q431-K433 PolarHBondContact O-N 3.44Å; K433-L437 HydrophobicContact CG-CD1 3.93Å; K433-L437 WeakPolarHBondContact O-CB 3.26Å; K433-L437 WeakPolarHBondContact O-CD1 3.42Å; K433-L437 WeakPolarHBondContact O-CG 3.45Å; K433-L437 PolarHBondContact O-N 3Å |
| 434 | H | 71.9 | Confident | 69.9 | Low | 115 Ų | 115 | 109.1 Ų | 109.1 | 53% | 0.532 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 173.7 | -110.1 | -77.3 | 0 | 0 | 0 | 112.9 | E430 Q431 L432 L437 T438 | E430-H434 WeakPolarHBondContact O-CB 3.27Å; E430-H434 PolarHBondContact O-N 2.64Å; E430-H434 IonicContact OE1-CD2 3.4Å; Q431-H434 CarbonylContact O-C 3.56Å; Q431-H434 WeakPolarHBondContact O-CA 3.4Å; Q431-H434 WeakPolarHBondContact O-CB 3.48Å; Q431-H434 PolarHBondContact O-N 3.07Å; L432-H434 VanDerWaalsContact C-N 3.33Å; L432-H434 PolarHBondContact O-N 2.98Å; H434-L437 PolarHBondContact O-N 3.09Å; H434-T438 VanDerWaalsContact O-CB 3.28Å; H434-T438 WeakPolarHBondContact O-CB 3.27Å; H434-T438 PolarHBondContact O-N 3.26Å; H434-T438 PolarHBondContact O-OG1 3.46Å |
| 435 | L | 69.9 | Low | 68.2 | Low | 120 Ų | 120 | 109.7 Ų | 109.7 | 63% | 0.628 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.4 | -50.2 | 172.4 | -91.6 | 78.9 | 0 | 0 | 0 | 110.8 | Q431 L432 L437 T438 D439 | Q431-L435 WeakPolarHBondContact O-CD1 3.43Å; Q431-L435 PolarHBondContact O-N 2.87Å; L432-L435 PolarHBondContact O-N 3.48Å; L435-L437 PolarHBondContact O-N 3.22Å; L435-T438 PolarHBondContact O-N 3.28Å; L435-D439 PolarHBondContact O-N 3.46Å |
| 436 | L | 56.5 | Low | 67 | Low | 97 Ų | 97 | 108.1 Ų | 108.1 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.2 | -25.5 | 179.4 | -72.4 | 166.8 | 0 | 0 | 0 | 113.9 | L432 | L432-L436 WeakPolarHBondContact O-CB 3.28Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.41Å; L432-L436 PolarHBondContact O-N 3.47Å |
| 437 | L | 64.2 | Low | 65.5 | Low | 131 Ų | 131 | 104.4 Ų | 104.4 | 69% | 0.686 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -90.4 | -15.7 | 174.4 | -71.5 | 169.8 | 0 | 0 | 0 | 113.7 | K433 H434 L435 | K433-L437 HydrophobicContact CG-CD1 3.93Å; K433-L437 WeakPolarHBondContact O-CB 3.26Å; K433-L437 WeakPolarHBondContact O-CD1 3.42Å; K433-L437 WeakPolarHBondContact O-CG 3.45Å; K433-L437 PolarHBondContact O-N 3Å; H434-L437 PolarHBondContact O-N 3.09Å; L435-L437 PolarHBondContact O-N 3.22Å |
| 438 | T | 60.1 | Low | 64.1 | Low | 102 Ų | 102 | 103 Ų | 103 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -100.3 | -25.2 | -177.7 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | H434 L435 R440 | H434-T438 VanDerWaalsContact O-CB 3.28Å; H434-T438 WeakPolarHBondContact O-CB 3.27Å; H434-T438 PolarHBondContact O-N 3.26Å; H434-T438 PolarHBondContact O-OG1 3.46Å; L435-T438 PolarHBondContact O-N 3.28Å; T438-R440 PolarHBondContact O-N 2.92Å |
| 439 | D | 47.3 | Very low | 63.3 | Low | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | trans | -68.6 | 100 | 175.3 | -175.8 | 8.4 | 0 | 0 | 0 | 111.8 | L435 G441 | L435-D439 PolarHBondContact O-N 3.46Å; D439-G441 VanDerWaalsContact C-N 3.25Å; D439-G441 PolarHBondContact O-N 2.88Å; D439-G441 WeakPolarHBondContact OD1-CA 3.41Å; D439-G441 PolarHBondContact OD1-N 3.42Å | ||
| 440 | R | 48.5 | Very low | 62.7 | Low | 239 Ų | 239 | 102.4 Ų | 102.4 | 90% | 0.902 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.9 | 179.6 | -146.9 | 174.4 | -174 | -176.6 | 1.1 | 113.3 | T438 | T438-R440 PolarHBondContact O-N 2.92Š|
| 441 | G | 51.9 | Low | 62.3 | Low | 60 Ų | 60 | 102.7 Ų | 102.7 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -23.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D439 Q443 | D439-G441 VanDerWaalsContact C-N 3.25Å; D439-G441 PolarHBondContact O-N 2.88Å; D439-G441 WeakPolarHBondContact OD1-CA 3.41Å; D439-G441 PolarHBondContact OD1-N 3.42Å; G441-Q443 PolarHBondContact O-N 3.36Å |
| 442 | A | 45.3 | Very low | 61.8 | Low | 29 Ų | 29 | 102.6 Ų | 102.6 | 24% | 0.24 | 54% | 0.541 | C | S | . | . | trans | -77.4 | 53.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | R448 | A442-R448 PolarHBondContact O-NH2 3.44Š| ||
| 443 | Q | 45.6 | Very low | 61.7 | Low | 175 Ų | 175 | 101.6 Ų | 101.6 | 82% | 0.818 | 54% | 0.542 | S | S | * | . | trans | -98.7 | 18.5 | 174.6 | -70.1 | -160.6 | -2.4 | 0 | 0 | 114.7 | G441 | G441-Q443 PolarHBondContact O-N 3.36Š| ||
| 444 | T | 52.7 | Low | 61.8 | Low | 86 Ų | 86 | 103.3 Ų | 103.3 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -102.4 | 116.9 | 166.5 | 48.5 | 0 | 0 | 0 | 0 | 110.2 | G446 S447 | T444-G446 PolarHBondContact O-N 3.28Å; T444-S447 PolarHBondContact O-N 3.03Å; T444-S447 WeakPolarHBondContact OG1-CB 3.08Å |
| 445 | P | 53.7 | Low | 62.3 | Low | 121 Ų | 121 | 101.5 Ų | 101.5 | 79% | 0.786 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 53.9 | -172.6 | 34.4 | -37.8 | 0 | 0 | 0 | 112.9 | E449 | P445-E449 VanDerWaalsContact C-OE2 3.3Š|
| 446 | G | 62.3 | Low | 62.8 | Low | 28 Ų | 28 | 104.4 Ų | 104.4 | 29% | 0.289 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160.2 | -23.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T444 R448 E449 N450 | T444-G446 PolarHBondContact O-N 3.28Å; G446-R448 VanDerWaalsContact C-N 3.33Å; G446-R448 PolarHBondContact O-N 2.67Å; G446-E449 VanDerWaalsContact CA-OE2 3.27Å; G446-E449 WeakPolarHBondContact CA-OE2 3.48Å; G446-E449 PolarHBondContact N-OE2 3.34Å; G446-N450 WeakPolarHBondContact O-CB 3.35Å; G446-N450 PolarHBondContact O-N 2.84Å; G446-N450 PolarHBondContact O-ND2 3.21Å |
| 447 | S | 58.8 | Low | 64.3 | Low | 74 Ų | 74 | 102.7 Ų | 102.7 | 52% | 0.517 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.6 | -30.7 | 177.9 | -167.2 | 0 | 0 | 0 | 0 | 112.9 | T444 H451 | T444-S447 PolarHBondContact O-N 3.03Å; T444-S447 WeakPolarHBondContact OG1-CB 3.08Å; S447-H451 PolarHBondContact O-N 3.08Å |
| 448 | R | 58.7 | Low | 65.4 | Low | 101 Ų | 101 | 99.7 Ų | 99.7 | 38% | 0.381 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -81.1 | -39.7 | -179.1 | -161.2 | -168.4 | -53.4 | 113.1 | -1.8 | 110.7 | A442 G446 H451 F452 | A442-R448 PolarHBondContact O-NH2 3.44Å; G446-R448 VanDerWaalsContact C-N 3.33Å; G446-R448 PolarHBondContact O-N 2.67Å; R448-H451 PolarHBondContact O-N 3.06Å; R448-F452 HydrophobicContact CG-CD2 4.39Å; R448-F452 HydrophobicContact CG-CE2 3.8Å; R448-F452 HydrophobicContact CG-CZ 4.38Å; R448-F452 WeakPolarHBondContact O-CD2 3.24Å; R448-F452 PolarHBondContact O-N 3.14Å |
| 449 | E | 71.7 | Confident | 66.6 | Low | 74 Ų | 74 | 99.8 Ų | 99.8 | 35% | 0.346 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 179 | -64.3 | 64.2 | -142.9 | 0 | 0 | 110.4 | P445 G446 H451 F452 C453 | P445-E449 VanDerWaalsContact C-OE2 3.3Å; G446-E449 VanDerWaalsContact CA-OE2 3.27Å; G446-E449 WeakPolarHBondContact CA-OE2 3.48Å; G446-E449 PolarHBondContact N-OE2 3.34Å; E449-H451 PolarHBondContact O-N 2.94Å; E449-F452 PolarHBondContact O-N 2.93Å; E449-C453 PolarHBondContact O-N 3.05Å; E449-C453 PolarHBondContact O-SG 3.23Å; E449-C453 VanDerWaalsContact O-SG 3.36Å |
| 450 | N | 73.6 | Confident | 68.4 | Low | 114 Ų | 114 | 98.4 Ų | 98.4 | 61% | 0.61 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 171.6 | -74.6 | -9.2 | 0 | 0 | 0 | 112.5 | G446 F452 C453 E454 | G446-N450 WeakPolarHBondContact O-CB 3.35Å; G446-N450 PolarHBondContact O-N 2.84Å; G446-N450 PolarHBondContact O-ND2 3.21Å; N450-F452 PolarHBondContact O-N 3.32Å; N450-C453 WeakPolarHBondContact O-CB 3.37Å; N450-C453 PolarHBondContact O-N 3.17Å; N450-E454 WeakPolarHBondContact O-CB 3.42Å; N450-E454 PolarHBondContact O-N 3.37Å |
| 451 | H | 75.4 | Confident | 70.5 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 39% | 0.389 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 178.3 | -173.9 | 52.7 | 0 | 0 | 0 | 112.5 | S447 R448 E449 E454 L455 | S447-H451 PolarHBondContact O-N 3.08Å; R448-H451 PolarHBondContact O-N 3.06Å; E449-H451 PolarHBondContact O-N 2.94Å; H451-E454 IonicContact ND1-OE2 2.81Å; H451-E454 PolarHBondContact O-N 3.42Å; H451-L455 WeakPolarHBondContact O-CG 3.38Å; H451-L455 PolarHBondContact O-N 2.76Å |
| 452 | F | 72 | Confident | 72.2 | Confident | 93 Ų | 93 | 96.8 Ų | 96.8 | 41% | 0.408 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 170.9 | -70.6 | -52.2 | 0 | 0 | 0 | 112.5 | R448 E449 N450 L455 Y456 | R448-F452 HydrophobicContact CG-CD2 4.39Å; R448-F452 HydrophobicContact CG-CE2 3.8Å; R448-F452 HydrophobicContact CG-CZ 4.38Å; R448-F452 WeakPolarHBondContact O-CD2 3.24Å; R448-F452 PolarHBondContact O-N 3.14Å; E449-F452 PolarHBondContact O-N 2.93Å; N450-F452 PolarHBondContact O-N 3.32Å; F452-L455 PolarHBondContact O-N 2.9Å; F452-Y456 WeakPolarHBondContact O-CB 3.45Å; F452-Y456 WeakPolarHBondContact O-CD2 3.48Å; F452-Y456 PolarHBondContact O-N 3.38Å |
| 453 | C | 77.8 | Confident | 74.4 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 174.9 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | E449 N450 Y456 A457 | E449-C453 PolarHBondContact O-N 3.05Å; E449-C453 PolarHBondContact O-SG 3.23Å; E449-C453 VanDerWaalsContact O-SG 3.36Å; N450-C453 WeakPolarHBondContact O-CB 3.37Å; N450-C453 PolarHBondContact O-N 3.17Å; C453-Y456 PolarHBondContact O-N 3.25Å; C453-A457 WeakPolarHBondContact O-CB 3.12Å; C453-A457 PolarHBondContact O-N 3.36Å |
| 454 | E | 80.8 | Confident | 76.5 | Confident | 133 Ų | 133 | 96.9 Ų | 96.9 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 176.9 | -175.5 | 175.1 | -137 | 0 | 0 | 112 | N450 H451 Y456 A457 S458 | N450-E454 WeakPolarHBondContact O-CB 3.42Å; N450-E454 PolarHBondContact O-N 3.37Å; H451-E454 IonicContact ND1-OE2 2.81Å; H451-E454 PolarHBondContact O-N 3.42Å; E454-Y456 PolarHBondContact O-N 3.11Å; E454-A457 PolarHBondContact O-N 3.43Å; E454-S458 WeakPolarHBondContact O-CB 3.37Å; E454-S458 PolarHBondContact O-N 2.71Å |
| 455 | L | 81.3 | Confident | 78.4 | Confident | 77 Ų | 77 | 96.5 Ų | 96.5 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 173.9 | -72.3 | 172.8 | 0 | 0 | 0 | 112.1 | H451 F452 S458 I459 | H451-L455 WeakPolarHBondContact O-CG 3.38Å; H451-L455 PolarHBondContact O-N 2.76Å; F452-L455 PolarHBondContact O-N 2.9Å; L455-S458 PolarHBondContact O-N 3.28Å; L455-I459 WeakPolarHBondContact O-CB 3.49Å; L455-I459 WeakPolarHBondContact O-CD1 3.41Å; L455-I459 VanDerWaalsContact O-CG1 3.27Å; L455-I459 WeakPolarHBondContact O-CG1 3.38Å; L455-I459 PolarHBondContact O-N 2.88Å |
| 456 | Y | 80.9 | Confident | 80.1 | Confident | 181 Ų | 181 | 95.2 Ų | 95.2 | 71% | 0.71 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 175.6 | -101 | -76.9 | 0 | 0 | 0 | 112.6 | F452 C453 E454 E460 | F452-Y456 WeakPolarHBondContact O-CB 3.45Å; F452-Y456 WeakPolarHBondContact O-CD2 3.48Å; F452-Y456 PolarHBondContact O-N 3.38Å; C453-Y456 PolarHBondContact O-N 3.25Å; E454-Y456 PolarHBondContact O-N 3.11Å; Y456-E460 WeakPolarHBondContact O-CB 3.4Å; Y456-E460 PolarHBondContact O-N 2.76Å |
| 457 | A | 88.8 | Confident | 81.4 | Confident | 60 Ų | 60 | 99.2 Ų | 99.2 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C453 E454 E460 Q461 | C453-A457 WeakPolarHBondContact O-CB 3.12Å; C453-A457 PolarHBondContact O-N 3.36Å; E454-A457 PolarHBondContact O-N 3.43Å; A457-E460 PolarHBondContact O-N 3.36Å; A457-Q461 WeakPolarHBondContact O-CB 3.08Å; A457-Q461 PolarHBondContact O-N 3.42Å |
| 458 | S | 86.2 | Confident | 82.8 | Confident | 69 Ų | 69 | 97.1 Ų | 97.1 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 177 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | E454 L455 Q461 E462 | E454-S458 WeakPolarHBondContact O-CB 3.37Å; E454-S458 PolarHBondContact O-N 2.71Å; L455-S458 PolarHBondContact O-N 3.28Å; S458-Q461 PolarHBondContact O-N 3.26Å; S458-E462 PolarHBondContact O-N 3.14Å |
| 459 | I | 84.5 | Confident | 84.5 | Confident | 104 Ų | 104 | 97.3 Ų | 97.3 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 178.4 | -68.9 | 165.4 | 0 | 0 | 0 | 111.6 | L455 K463 | L455-I459 WeakPolarHBondContact O-CB 3.49Å; L455-I459 WeakPolarHBondContact O-CD1 3.41Å; L455-I459 VanDerWaalsContact O-CG1 3.27Å; L455-I459 WeakPolarHBondContact O-CG1 3.38Å; L455-I459 PolarHBondContact O-N 2.88Å; I459-K463 VanDerWaalsContact O-CB 3.29Å; I459-K463 WeakPolarHBondContact O-CB 3.37Å; I459-K463 PolarHBondContact O-N 2.89Å |
| 460 | E | 87 | Confident | 85.3 | Confident | 78 Ų | 78 | 99.1 Ų | 99.1 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 175.9 | -176 | 57.7 | -143.3 | 0 | 0 | 111.4 | Y456 A457 K463 Q464 | Y456-E460 WeakPolarHBondContact O-CB 3.4Å; Y456-E460 PolarHBondContact O-N 2.76Å; A457-E460 PolarHBondContact O-N 3.36Å; E460-K463 WeakPolarHBondContact O-CB 3.46Å; E460-K463 PolarHBondContact O-N 3.48Å; E460-K463 IonicContact OE1-NZ 3.49Å; E460-K463 PolarHBondContact OE1-NZ 2.8Å; E460-K463 IonicContact OE2-NZ 2.86Å; E460-K463 PolarHBondContact OE2-NZ 3.29Å; E460-Q464 WeakPolarHBondContact O-CG 3.43Å; E460-Q464 PolarHBondContact O-N 2.87Å; E460-Q464 PolarHBondContact OE1-NE2 2.76Å |
| 461 | Q | 92 | Very high | 86.1 | Confident | 142 Ų | 142 | 97.9 Ų | 97.9 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -47.4 | 175 | -175.9 | 177 | -1.5 | 0 | 0 | 112 | A457 S458 K463 Q464 V465 | A457-Q461 WeakPolarHBondContact O-CB 3.08Å; A457-Q461 PolarHBondContact O-N 3.42Å; S458-Q461 PolarHBondContact O-N 3.26Å; Q461-K463 VanDerWaalsContact C-N 3.32Å; Q461-K463 PolarHBondContact O-N 3.21Å; Q461-Q464 PolarHBondContact O-N 3.32Å; Q461-V465 WeakPolarHBondContact O-CG2 3.35Å; Q461-V465 PolarHBondContact O-N 2.86Å; Q461-V465 VanDerWaalsContact O-N 3.1Å |
| 462 | E | 87.8 | Confident | 86.8 | Confident | 122 Ų | 122 | 98.6 Ų | 98.6 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.5 | -44 | 175.8 | -174.8 | 179 | -163.6 | 0 | 0 | 111.2 | S458 Q464 V465 L466 | S458-E462 PolarHBondContact O-N 3.14Å; E462-Q464 VanDerWaalsContact C-N 3.32Å; E462-Q464 PolarHBondContact O-N 2.87Å; E462-V465 PolarHBondContact O-N 2.97Å; E462-V465 VanDerWaalsContact O-N 3.17Å; E462-L466 HydrophobicContact CG-CD1 4.1Å; E462-L466 HydrophobicContact CG-CG 4.48Å; E462-L466 WeakPolarHBondContact O-CG 3.4Å; E462-L466 PolarHBondContact O-N 3.09Å |
| 463 | K | 89.9 | Confident | 87.7 | Confident | 105 Ų | 105 | 99.6 Ų | 99.6 | 46% | 0.457 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.3 | -40.1 | 174.9 | 163.6 | 167.9 | 159.5 | -83.5 | 0 | 112.9 | I459 E460 Q461 L467 | I459-K463 VanDerWaalsContact O-CB 3.29Å; I459-K463 WeakPolarHBondContact O-CB 3.37Å; I459-K463 PolarHBondContact O-N 2.89Å; E460-K463 WeakPolarHBondContact O-CB 3.46Å; E460-K463 PolarHBondContact O-N 3.48Å; E460-K463 IonicContact OE1-NZ 3.49Å; E460-K463 PolarHBondContact OE1-NZ 2.8Å; E460-K463 IonicContact OE2-NZ 2.86Å; E460-K463 PolarHBondContact OE2-NZ 3.29Å; Q461-K463 VanDerWaalsContact C-N 3.32Å; Q461-K463 PolarHBondContact O-N 3.21Å; K463-L467 WeakPolarHBondContact O-CB 3.44Å; K463-L467 PolarHBondContact O-N 3.32Å |
| 464 | Q | 91 | Very high | 88.2 | Confident | 102 Ų | 102 | 98.1 Ų | 98.1 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.7 | -38.5 | 176.4 | -65.1 | -62.4 | -22.6 | 0 | 0 | 112.3 | E460 Q461 E462 L467 G468 | E460-Q464 WeakPolarHBondContact O-CG 3.43Å; E460-Q464 PolarHBondContact O-N 2.87Å; E460-Q464 PolarHBondContact OE1-NE2 2.76Å; Q461-Q464 PolarHBondContact O-N 3.32Å; E462-Q464 VanDerWaalsContact C-N 3.32Å; E462-Q464 PolarHBondContact O-N 2.87Å; Q464-L467 PolarHBondContact O-N 3.21Å; Q464-G468 PolarHBondContact O-N 3.04Å; Q464-G468 VanDerWaalsContact O-N 3.09Å |
| 465 | V | 92.8 | Very high | 88.7 | Confident | 78 Ų | 78 | 96.9 Ų | 96.9 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | Q461 E462 L467 G468 Q469 | Q461-V465 WeakPolarHBondContact O-CG2 3.35Å; Q461-V465 PolarHBondContact O-N 2.86Å; Q461-V465 VanDerWaalsContact O-N 3.1Å; E462-V465 PolarHBondContact O-N 2.97Å; E462-V465 VanDerWaalsContact O-N 3.17Å; V465-L467 VanDerWaalsContact C-N 3.31Å; V465-L467 PolarHBondContact O-N 3.09Å; V465-G468 PolarHBondContact O-N 2.99Å; V465-Q469 WeakPolarHBondContact O-CG 3.41Å; V465-Q469 PolarHBondContact O-N 2.99Å |
| 466 | L | 88.3 | Confident | 89.1 | Confident | 94 Ų | 94 | 96.9 Ų | 96.9 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 176.8 | -69.4 | 171.5 | 0 | 0 | 0 | 112.4 | E462 N470 | E462-L466 HydrophobicContact CG-CD1 4.1Å; E462-L466 HydrophobicContact CG-CG 4.48Å; E462-L466 WeakPolarHBondContact O-CG 3.4Å; E462-L466 PolarHBondContact O-N 3.09Å; L466-N470 WeakPolarHBondContact O-CB 3.31Å; L466-N470 PolarHBondContact O-N 3.25Å |
| 467 | L | 89.2 | Confident | 89.3 | Confident | 111 Ų | 111 | 92 Ų | 92 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 176.5 | -151.7 | 78.8 | 0 | 0 | 0 | 112 | K463 Q464 V465 N471 | K463-L467 WeakPolarHBondContact O-CB 3.44Å; K463-L467 PolarHBondContact O-N 3.32Å; Q464-L467 PolarHBondContact O-N 3.21Å; V465-L467 VanDerWaalsContact C-N 3.31Å; V465-L467 PolarHBondContact O-N 3.09Å; L467-N471 PolarHBondContact O-N 3.18Å |
| 468 | G | 90.1 | Very high | 89.4 | Confident | 31 Ų | 31 | 93.8 Ų | 93.8 | 32% | 0.32 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -56 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q464 V465 N470 N471 D472 | Q464-G468 PolarHBondContact O-N 3.04Å; Q464-G468 VanDerWaalsContact O-N 3.09Å; V465-G468 PolarHBondContact O-N 2.99Å; G468-N470 PolarHBondContact O-N 3.4Å; G468-N471 WeakPolarHBondContact O-CA 3.48Å; G468-N471 WeakPolarHBondContact O-CB 3.44Å; G468-N471 PolarHBondContact O-N 3.4Å; G468-D472 PolarHBondContact O-N 3.14Å |
| 469 | Q | 92.9 | Very high | 89.6 | Confident | 104 Ų | 104 | 93.2 Ų | 93.2 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -54.8 | -38.9 | 179.1 | -70.3 | 176.6 | -4.3 | 0 | 0 | 112.9 | V465 D472 L473 | V465-Q469 WeakPolarHBondContact O-CG 3.41Å; V465-Q469 PolarHBondContact O-N 2.99Å; Q469-D472 PolarHBondContact O-N 3.35Å; Q469-L473 WeakPolarHBondContact O-CB 3.45Å; Q469-L473 VanDerWaalsContact O-CG 3.28Å; Q469-L473 WeakPolarHBondContact O-CG 3.48Å; Q469-L473 PolarHBondContact O-N 3.19Å |
| 470 | N | 88.1 | Confident | 89.9 | Confident | 112 Ų | 112 | 93.1 Ų | 93.1 | 60% | 0.599 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.4 | -33.3 | 176.5 | -179 | 80.4 | 0 | 0 | 0 | 113.1 | L466 G468 A474 | L466-N470 WeakPolarHBondContact O-CB 3.31Å; L466-N470 PolarHBondContact O-N 3.25Å; G468-N470 PolarHBondContact O-N 3.4Å; N470-A474 WeakPolarHBondContact O-CB 3.35Å; N470-A474 PolarHBondContact O-N 3.11Å; N470-A474 VanDerWaalsContact O-N 3.1Å |
| 471 | N | 90.7 | Very high | 90 | Very high | 88 Ų | 88 | 91.4 Ų | 91.4 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71 | -40.2 | 174.3 | -174.3 | 36.4 | 0 | 0 | 0 | 111.7 | L467 G468 A474 Q475 | L467-N471 PolarHBondContact O-N 3.18Å; G468-N471 WeakPolarHBondContact O-CA 3.48Å; G468-N471 WeakPolarHBondContact O-CB 3.44Å; G468-N471 PolarHBondContact O-N 3.4Å; N471-A474 PolarHBondContact O-N 3.06Å; N471-Q475 PolarHBondContact ND2-NE2 2.71Å; N471-Q475 WeakPolarHBondContact O-CG 3.4Å; N471-Q475 PolarHBondContact O-N 3.25Å; N471-Q475 PolarHBondContact O-NE2 3.16Å; N471-Q475 PolarHBondContact OD1-NE2 3.45Å |
| 472 | D | 90.7 | Very high | 89.9 | Confident | 99 Ų | 99 | 90 Ų | 90 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 178.1 | -59.5 | -27.8 | 0 | 0 | 0 | 111.2 | G468 Q469 A474 Q475 S476 | G468-D472 PolarHBondContact O-N 3.14Å; Q469-D472 PolarHBondContact O-N 3.35Å; D472-A474 VanDerWaalsContact C-N 3.34Å; D472-A474 PolarHBondContact O-N 2.97Å; D472-Q475 PolarHBondContact O-N 3.49Å; D472-S476 WeakPolarHBondContact O-CB 3.46Å; D472-S476 PolarHBondContact O-N 3.49Å |
| 473 | L | 90.1 | Very high | 90.2 | Very high | 114 Ų | 114 | 89.5 Ų | 89.5 | 60% | 0.597 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 172.3 | -74.8 | 169.6 | 0 | 0 | 0 | 112.4 | Q469 S476 S477 | Q469-L473 WeakPolarHBondContact O-CB 3.45Å; Q469-L473 VanDerWaalsContact O-CG 3.28Å; Q469-L473 WeakPolarHBondContact O-CG 3.48Å; Q469-L473 PolarHBondContact O-N 3.19Å; L473-S476 PolarHBondContact O-N 3.49Å; L473-S477 VanDerWaalsContact O-CB 3.31Å; L473-S477 WeakPolarHBondContact O-CB 3.37Å; L473-S477 PolarHBondContact O-N 3.43Å |
| 474 | A | 88.5 | Confident | 89.8 | Confident | 56 Ų | 56 | 87.6 Ų | 87.6 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N470 N471 D472 S477 E478 | N470-A474 WeakPolarHBondContact O-CB 3.35Å; N470-A474 PolarHBondContact O-N 3.11Å; N470-A474 VanDerWaalsContact O-N 3.1Å; N471-A474 PolarHBondContact O-N 3.06Å; D472-A474 VanDerWaalsContact C-N 3.34Å; D472-A474 PolarHBondContact O-N 2.97Å; A474-S477 PolarHBondContact O-N 3.32Å; A474-E478 PolarHBondContact O-N 2.92Å |
| 475 | Q | 92.4 | Very high | 89.8 | Confident | 108 Ų | 108 | 89.3 Ų | 89.3 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 175.9 | -72 | 174.7 | 65.2 | 0 | 0 | 112.3 | N471 D472 E478 S479 | N471-Q475 PolarHBondContact ND2-NE2 2.71Å; N471-Q475 WeakPolarHBondContact O-CG 3.4Å; N471-Q475 PolarHBondContact O-N 3.25Å; N471-Q475 PolarHBondContact O-NE2 3.16Å; N471-Q475 PolarHBondContact OD1-NE2 3.45Å; D472-Q475 PolarHBondContact O-N 3.49Å; Q475-E478 PolarHBondContact O-N 3.33Å; Q475-S479 WeakPolarHBondContact O-CB 3.49Å; Q475-S479 PolarHBondContact O-N 3.33Å |
| 476 | S | 89.5 | Confident | 89.9 | Confident | 77 Ų | 77 | 89.8 Ų | 89.8 | 54% | 0.538 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | D472 L473 S479 L480 | D472-S476 WeakPolarHBondContact O-CB 3.46Å; D472-S476 PolarHBondContact O-N 3.49Å; L473-S476 PolarHBondContact O-N 3.49Å; S476-S479 WeakPolarHBondContact O-CA 3.31Å; S476-S479 WeakPolarHBondContact O-CB 3.29Å; S476-S479 PolarHBondContact O-N 3.09Å; S476-S479 VanDerWaalsContact O-N 3.08Å; S476-L480 PolarHBondContact O-N 3.35Å |
| 477 | S | 84.8 | Confident | 89.9 | Confident | 78 Ų | 78 | 90 Ų | 90 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 177 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | L473 A474 S479 L480 A481 | L473-S477 VanDerWaalsContact O-CB 3.31Å; L473-S477 WeakPolarHBondContact O-CB 3.37Å; L473-S477 PolarHBondContact O-N 3.43Å; A474-S477 PolarHBondContact O-N 3.32Å; S477-S479 PolarHBondContact O-N 3.23Å; S477-L480 PolarHBondContact O-N 2.96Å; S477-A481 VanDerWaalsContact O-CB 3.24Å; S477-A481 WeakPolarHBondContact O-CB 3.31Å; S477-A481 PolarHBondContact O-N 2.78Å |
| 478 | E | 90.6 | Very high | 90 | Very high | 97 Ų | 97 | 89 Ų | 89 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -25.9 | 174.5 | -175.2 | 65.1 | -124.5 | 0 | 0 | 112 | A474 Q475 R482 R485 | A474-E478 PolarHBondContact O-N 2.92Å; Q475-E478 PolarHBondContact O-N 3.33Å; E478-R482 WeakPolarHBondContact O-CG 3.44Å; E478-R482 PolarHBondContact O-N 2.81Å; E478-R482 PolarHBondContact O-NE 3.04Å; E478-R482 VanDerWaalsContact O-NE 3.14Å; E478-R482 PolarHBondContact O-NH2 2.9Å; E478-R485 IonicContact OE1-CZ 2.72Å; E478-R485 IonicContact OE1-NH2 3.44Å; E478-R485 PolarHBondContact OE1-NH2 3.24Å |
| 479 | S | 90 | Very high | 90.1 | Very high | 58 Ų | 58 | 94.2 Ų | 94.2 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.4 | -46.6 | 174.9 | -150.3 | 0 | 0 | 0 | 0 | 112.5 | Q475 S476 S477 A481 R482 E483 | Q475-S479 WeakPolarHBondContact O-CB 3.49Å; Q475-S479 PolarHBondContact O-N 3.33Å; S476-S479 WeakPolarHBondContact O-CA 3.31Å; S476-S479 WeakPolarHBondContact O-CB 3.29Å; S476-S479 PolarHBondContact O-N 3.09Å; S476-S479 VanDerWaalsContact O-N 3.08Å; S477-S479 PolarHBondContact O-N 3.23Å; S479-A481 VanDerWaalsContact C-N 3.28Å; S479-A481 PolarHBondContact O-N 3.44Å; S479-R482 WeakPolarHBondContact O-CA 3.4Å; S479-R482 WeakPolarHBondContact O-CB 3.3Å; S479-R482 PolarHBondContact O-N 2.84Å; S479-R482 PolarHBondContact OG-NH1 2.86Å; S479-E483 PolarHBondContact O-N 3.13Å |
| 480 | L | 90.7 | Very high | 90.1 | Very high | 102 Ų | 102 | 95.7 Ų | 95.7 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 172.5 | -175.9 | 63.6 | 0 | 0 | 0 | 110.7 | S476 S477 R482 E483 C484 | S476-L480 PolarHBondContact O-N 3.35Å; S477-L480 PolarHBondContact O-N 2.96Å; L480-R482 PolarHBondContact O-N 3.29Å; L480-E483 PolarHBondContact O-N 2.98Å; L480-E483 VanDerWaalsContact O-N 3.14Å; L480-C484 PolarHBondContact O-N 3.35Å; L480-C484 PolarHBondContact O-SG 3.43Å |
| 481 | A | 89 | Confident | 90.1 | Very high | 41 Ų | 41 | 93.2 Ų | 93.2 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -20.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S477 S479 R485 | S477-A481 VanDerWaalsContact O-CB 3.24Å; S477-A481 WeakPolarHBondContact O-CB 3.31Å; S477-A481 PolarHBondContact O-N 2.78Å; S479-A481 VanDerWaalsContact C-N 3.28Å; S479-A481 PolarHBondContact O-N 3.44Å; A481-R485 PolarHBondContact O-NE 2.95Å; A481-R485 PolarHBondContact O-NH2 3.08Å |
| 482 | R | 91.9 | Very high | 90 | Very high | 112 Ų | 112 | 92 Ų | 92 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -82.1 | -40.6 | 169.8 | -82.5 | 176.1 | -95.6 | 113.9 | -2.5 | 111.4 | E478 S479 L480 R485 I486 | E478-R482 WeakPolarHBondContact O-CG 3.44Å; E478-R482 PolarHBondContact O-N 2.81Å; E478-R482 PolarHBondContact O-NE 3.04Å; E478-R482 VanDerWaalsContact O-NE 3.14Å; E478-R482 PolarHBondContact O-NH2 2.9Å; S479-R482 WeakPolarHBondContact O-CA 3.4Å; S479-R482 WeakPolarHBondContact O-CB 3.3Å; S479-R482 PolarHBondContact O-N 2.84Å; S479-R482 PolarHBondContact OG-NH1 2.86Å; L480-R482 PolarHBondContact O-N 3.29Å; R482-R485 WeakPolarHBondContact O-CB 3.48Å; R482-R485 PolarHBondContact O-N 3.43Å; R482-I486 WeakPolarHBondContact O-CG1 3.47Å; R482-I486 PolarHBondContact O-N 3.13Å; R482-I486 VanDerWaalsContact O-N 3.11Å |
| 483 | E | 92.5 | Very high | 90.1 | Very high | 113 Ų | 113 | 90.1 Ų | 90.1 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 175.1 | -174.6 | 169.9 | -163.9 | 0 | 0 | 111.9 | S479 L480 R485 I486 L487 | S479-E483 PolarHBondContact O-N 3.13Å; L480-E483 PolarHBondContact O-N 2.98Å; L480-E483 VanDerWaalsContact O-N 3.14Å; E483-R485 VanDerWaalsContact C-N 3.3Å; E483-R485 PolarHBondContact O-N 3.49Å; E483-I486 PolarHBondContact O-N 2.81Å; E483-I486 VanDerWaalsContact O-N 3.14Å; E483-L487 HydrophobicContact CG-CD1 4.21Å; E483-L487 WeakPolarHBondContact O-CG 3.47Å; E483-L487 PolarHBondContact O-N 3.24Å |
| 484 | C | 82.6 | Confident | 90.1 | Very high | 65 Ų | 65 | 89.2 Ų | 89.2 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.4 | -40.4 | 174 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | L480 L487 T488 | L480-C484 PolarHBondContact O-N 3.35Å; L480-C484 PolarHBondContact O-SG 3.43Å; C484-L487 PolarHBondContact O-N 3.25Å; C484-T488 PolarHBondContact O-N 3.48Å; C484-T488 PolarHBondContact O-OG1 3.39Å; C484-T488 VanDerWaalsContact O-OG1 3.05Å |
| 485 | R | 91.4 | Very high | 90.2 | Very high | 138 Ų | 138 | 90.9 Ų | 90.9 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.5 | -87.1 | 175 | -84.4 | -179.5 | -6.9 | 111.9 | E478 A481 R482 E483 L487 T488 E489 | E478-R485 IonicContact OE1-CZ 2.72Å; E478-R485 IonicContact OE1-NH2 3.44Å; E478-R485 PolarHBondContact OE1-NH2 3.24Å; A481-R485 PolarHBondContact O-NE 2.95Å; A481-R485 PolarHBondContact O-NH2 3.08Å; R482-R485 WeakPolarHBondContact O-CB 3.48Å; R482-R485 PolarHBondContact O-N 3.43Å; E483-R485 VanDerWaalsContact C-N 3.3Å; E483-R485 PolarHBondContact O-N 3.49Å; R485-L487 VanDerWaalsContact C-N 3.34Å; R485-T488 PolarHBondContact O-N 2.93Å; R485-E489 WeakPolarHBondContact O-CB 3.43Å; R485-E489 PolarHBondContact O-N 3.18Å |
| 486 | I | 93.6 | Very high | 90.2 | Very high | 87 Ų | 87 | 90.9 Ų | 90.9 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 178.1 | -65.3 | 163.9 | 0 | 0 | 0 | 111.3 | R482 E483 K490 | R482-I486 WeakPolarHBondContact O-CG1 3.47Å; R482-I486 PolarHBondContact O-N 3.13Å; R482-I486 VanDerWaalsContact O-N 3.11Å; E483-I486 PolarHBondContact O-N 2.81Å; E483-I486 VanDerWaalsContact O-N 3.14Å; I486-K490 HydrophobicContact CG2-CD 4.36Å; I486-K490 WeakPolarHBondContact O-CB 3.35Å; I486-K490 WeakPolarHBondContact O-CG 3.25Å; I486-K490 PolarHBondContact O-N 3.01Å |
| 487 | L | 88.6 | Confident | 90.4 | Very high | 100 Ų | 100 | 91 Ų | 91 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 175.6 | -69.1 | 172.5 | 0 | 0 | 0 | 112.1 | E483 C484 R485 K490 A491 | E483-L487 HydrophobicContact CG-CD1 4.21Å; E483-L487 WeakPolarHBondContact O-CG 3.47Å; E483-L487 PolarHBondContact O-N 3.24Å; C484-L487 PolarHBondContact O-N 3.25Å; R485-L487 VanDerWaalsContact C-N 3.34Å; L487-K490 PolarHBondContact O-N 2.81Å; L487-A491 WeakPolarHBondContact O-CB 3.29Å; L487-A491 PolarHBondContact O-N 3.41Å |
| 488 | T | 91.4 | Very high | 90.8 | Very high | 90 Ų | 90 | 91.9 Ų | 91.9 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 171.9 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | C484 R485 K490 A491 S492 | C484-T488 PolarHBondContact O-N 3.48Å; C484-T488 PolarHBondContact O-OG1 3.39Å; C484-T488 VanDerWaalsContact O-OG1 3.05Å; R485-T488 PolarHBondContact O-N 2.93Å; T488-K490 VanDerWaalsContact C-N 3.33Å; T488-K490 PolarHBondContact O-N 3.46Å; T488-A491 PolarHBondContact O-N 2.8Å; T488-A491 VanDerWaalsContact O-N 3.12Å; T488-S492 PolarHBondContact O-N 2.78Å; T488-S492 PolarHBondContact O-OG 2.98Å |
| 489 | E | 92.5 | Very high | 90.9 | Very high | 139 Ų | 139 | 91.1 Ų | 91.1 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.8 | -42.8 | 177.4 | -175.4 | 175.8 | -165.8 | 0 | 0 | 111.9 | R485 S492 A493 | R485-E489 WeakPolarHBondContact O-CB 3.43Å; R485-E489 PolarHBondContact O-N 3.18Å; E489-S492 PolarHBondContact O-N 3.34Å; E489-A493 PolarHBondContact O-N 3.3Å |
| 490 | K | 93.1 | Very high | 91.1 | Very high | 135 Ų | 135 | 90.3 Ų | 90.3 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -38.7 | 173.2 | -75.4 | 176.1 | 175.9 | -175.5 | 0 | 113.3 | I486 L487 T488 A493 L494 | I486-K490 HydrophobicContact CG2-CD 4.36Å; I486-K490 WeakPolarHBondContact O-CB 3.35Å; I486-K490 WeakPolarHBondContact O-CG 3.25Å; I486-K490 PolarHBondContact O-N 3.01Å; L487-K490 PolarHBondContact O-N 2.81Å; T488-K490 VanDerWaalsContact C-N 3.33Å; T488-K490 PolarHBondContact O-N 3.46Å; K490-A493 PolarHBondContact O-N 3.14Å; K490-L494 WeakPolarHBondContact O-CB 3.39Å; K490-L494 PolarHBondContact O-N 3.48Å |
| 491 | A | 86.8 | Confident | 91 | Very high | 61 Ų | 61 | 90.6 Ų | 90.6 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L487 T488 L494 Q495 | L487-A491 WeakPolarHBondContact O-CB 3.29Å; L487-A491 PolarHBondContact O-N 3.41Å; T488-A491 PolarHBondContact O-N 2.8Å; T488-A491 VanDerWaalsContact O-N 3.12Å; A491-L494 PolarHBondContact O-N 3.04Å; A491-Q495 PolarHBondContact O-N 3.42Å |
| 492 | S | 89.9 | Confident | 91.2 | Very high | 63 Ų | 63 | 92.7 Ų | 92.7 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 172 | -65 | 0 | 0 | 0 | 0 | 111.8 | T488 E489 L494 Q495 D496 | T488-S492 PolarHBondContact O-N 2.78Å; T488-S492 PolarHBondContact O-OG 2.98Å; E489-S492 PolarHBondContact O-N 3.34Å; S492-L494 VanDerWaalsContact C-N 3.25Å; S492-L494 PolarHBondContact O-N 2.68Å; S492-Q495 WeakPolarHBondContact O-CB 3.05Å; S492-Q495 PolarHBondContact O-N 3.31Å; S492-Q495 VanDerWaalsContact O-N 3.08Å; S492-D496 VanDerWaalsContact O-CG 3.32Å; S492-D496 PolarHBondContact O-N 3.15Å |
| 493 | A | 92 | Very high | 91.3 | Very high | 59 Ų | 59 | 92 Ų | 92 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -28.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | E489 K490 S497 | E489-A493 PolarHBondContact O-N 3.3Å; K490-A493 PolarHBondContact O-N 3.14Å; A493-S497 WeakPolarHBondContact O-CB 3.36Å; A493-S497 PolarHBondContact O-N 3.16Å |
| 494 | L | 90.8 | Very high | 91.4 | Very high | 95 Ų | 95 | 92.7 Ų | 92.7 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.8 | -41.6 | 172.4 | -160.8 | 85.4 | 0 | 0 | 0 | 111.4 | K490 A491 S492 S497 Y498 | K490-L494 WeakPolarHBondContact O-CB 3.39Å; K490-L494 PolarHBondContact O-N 3.48Å; A491-L494 PolarHBondContact O-N 3.04Å; S492-L494 VanDerWaalsContact C-N 3.25Å; S492-L494 PolarHBondContact O-N 2.68Å; L494-S497 WeakPolarHBondContact O-CB 3.41Å; L494-S497 PolarHBondContact O-N 2.78Å; L494-Y498 PolarHBondContact O-N 3.31Å |
| 495 | Q | 91 | Very high | 91.8 | Very high | 90 Ų | 90 | 95 Ų | 95 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 175.7 | -172.3 | 66.3 | 55.5 | 0 | 0 | 111.4 | A491 S492 S497 Y498 D499 | A491-Q495 PolarHBondContact O-N 3.42Å; S492-Q495 WeakPolarHBondContact O-CB 3.05Å; S492-Q495 PolarHBondContact O-N 3.31Å; S492-Q495 VanDerWaalsContact O-N 3.08Å; Q495-S497 PolarHBondContact O-N 3.08Å; Q495-Y498 WeakPolarHBondContact O-CB 3.46Å; Q495-Y498 PolarHBondContact O-N 2.94Å; Q495-D499 PolarHBondContact NE2-OD1 2.96Å; Q495-D499 PolarHBondContact O-N 3.32Å |
| 496 | D | 92.3 | Very high | 91.9 | Very high | 109 Ų | 109 | 90.1 Ų | 90.1 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55.3 | -36 | 175.2 | -64.5 | -26.6 | 0 | 0 | 0 | 111.2 | S492 A500 | S492-D496 VanDerWaalsContact O-CG 3.32Å; S492-D496 PolarHBondContact O-N 3.15Å; D496-A500 WeakPolarHBondContact O-CB 3.35Å; D496-A500 PolarHBondContact O-N 3.41Å; D496-A500 VanDerWaalsContact O-N 3.09Å |
| 497 | S | 93.2 | Very high | 91.8 | Very high | 78 Ų | 78 | 89.4 Ų | 89.4 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.1 | -28.5 | 176.3 | -171.2 | 0 | 0 | 0 | 0 | 114 | A493 L494 Q495 L501 | A493-S497 WeakPolarHBondContact O-CB 3.36Å; A493-S497 PolarHBondContact O-N 3.16Å; L494-S497 WeakPolarHBondContact O-CB 3.41Å; L494-S497 PolarHBondContact O-N 2.78Å; Q495-S497 PolarHBondContact O-N 3.08Å; S497-L501 PolarHBondContact O-N 3Å |
| 498 | Y | 93.2 | Very high | 92 | Very high | 98 Ų | 98 | 90.4 Ų | 90.4 | 38% | 0.384 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.6 | -49.4 | 173 | 178.4 | -87.9 | 0 | 0 | 0 | 110 | L494 Q495 A500 L501 E502 | L494-Y498 PolarHBondContact O-N 3.31Å; Q495-Y498 WeakPolarHBondContact O-CB 3.46Å; Q495-Y498 PolarHBondContact O-N 2.94Å; Y498-A500 VanDerWaalsContact C-N 3.25Å; Y498-A500 PolarHBondContact O-N 3.23Å; Y498-L501 CarbonylContact O-C 3.6Å; Y498-L501 WeakPolarHBondContact O-CA 3.3Å; Y498-L501 WeakPolarHBondContact O-CB 3.26Å; Y498-L501 PolarHBondContact O-N 3.27Å; Y498-E502 HydrophobicContact CE1-CB 4.37Å; Y498-E502 PolarHBondContact O-N 3.09Å; Y498-E502 PolarHBondContact OH-OE2 2.76Å |
| 499 | D | 93.5 | Very high | 92.1 | Very high | 80 Ų | 80 | 90.3 Ų | 90.3 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 178.9 | -61.4 | 0.7 | 0 | 0 | 0 | 111 | Q495 L501 T503 | Q495-D499 PolarHBondContact NE2-OD1 2.96Å; Q495-D499 PolarHBondContact O-N 3.32Å; D499-L501 PolarHBondContact O-N 2.97Å; D499-T503 WeakPolarHBondContact O-CB 3.33Å; D499-T503 WeakPolarHBondContact O-CG2 3.4Å; D499-T503 PolarHBondContact O-N 3.03Å; D499-T503 VanDerWaalsContact O-N 3.11Å; D499-T503 PolarHBondContact O-OG1 2.94Å |
| 500 | A | 93.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 89.9 Ų | 89.9 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.1 | -3.5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | D496 Y498 T503 K504 | D496-A500 WeakPolarHBondContact O-CB 3.35Å; D496-A500 PolarHBondContact O-N 3.41Å; D496-A500 VanDerWaalsContact O-N 3.09Å; Y498-A500 VanDerWaalsContact C-N 3.25Å; Y498-A500 PolarHBondContact O-N 3.23Å; A500-T503 WeakPolarHBondContact CA-OG1 3.41Å; A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 VanDerWaalsContact O-CE 3.27Å; A500-K504 WeakPolarHBondContact O-CE 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.49Å; A500-K504 PolarHBondContact O-NZ 3.17Å |
| 501 | L | 89.6 | Confident | 92.2 | Very high | 109 Ų | 109 | 85.8 Ų | 85.8 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -103.2 | -43.7 | 171 | -174.3 | 62.8 | 0 | 0 | 0 | 110.8 | S497 Y498 D499 T503 K504 H505 | S497-L501 PolarHBondContact O-N 3Å; Y498-L501 CarbonylContact O-C 3.6Å; Y498-L501 WeakPolarHBondContact O-CA 3.3Å; Y498-L501 WeakPolarHBondContact O-CB 3.26Å; Y498-L501 PolarHBondContact O-N 3.27Å; D499-L501 PolarHBondContact O-N 2.97Å; L501-T503 VanDerWaalsContact C-N 3.33Å; L501-T503 PolarHBondContact O-N 3.3Å; L501-K504 CarbonylContact O-C 3.54Å; L501-K504 WeakPolarHBondContact O-CA 3.48Å; L501-K504 WeakPolarHBondContact O-CB 3.45Å; L501-K504 PolarHBondContact O-N 3.27Å; L501-H505 PolarHBondContact O-N 3.05Å |
| 502 | E | 92.3 | Very high | 92.4 | Very high | 85 Ų | 85 | 91 Ų | 91 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.2 | -46 | 174 | -173.2 | 60.7 | -100.5 | 0 | 0 | 111.6 | Y498 K504 H505 S506 | Y498-E502 HydrophobicContact CE1-CB 4.37Å; Y498-E502 PolarHBondContact O-N 3.09Å; Y498-E502 PolarHBondContact OH-OE2 2.76Å; E502-K504 VanDerWaalsContact C-N 3.25Å; E502-K504 PolarHBondContact O-N 2.9Å; E502-H505 PolarHBondContact O-N 3.48Å; E502-H505 VanDerWaalsContact O-N 3.14Å; E502-H505 IonicContact OE1-ND1 2.83Å; E502-S506 PolarHBondContact O-N 2.82Å |
| 503 | T | 93.5 | Very high | 92.5 | Very high | 96 Ų | 96 | 93.1 Ų | 93.1 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -32.3 | 174.2 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | D499 A500 L501 S507 | D499-T503 WeakPolarHBondContact O-CB 3.33Å; D499-T503 WeakPolarHBondContact O-CG2 3.4Å; D499-T503 PolarHBondContact O-N 3.03Å; D499-T503 VanDerWaalsContact O-N 3.11Å; D499-T503 PolarHBondContact O-OG1 2.94Å; A500-T503 WeakPolarHBondContact CA-OG1 3.41Å; L501-T503 VanDerWaalsContact C-N 3.33Å; L501-T503 PolarHBondContact O-N 3.3Å; T503-S507 PolarHBondContact O-N 3.37Å |
| 504 | K | 94.2 | Very high | 92.6 | Very high | 129 Ų | 129 | 93 Ų | 93 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.8 | -42.5 | 173.3 | -67.3 | 174.2 | -172.8 | 127.6 | 0 | 111.5 | A500 L501 E502 S507 L508 | A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 VanDerWaalsContact O-CE 3.27Å; A500-K504 WeakPolarHBondContact O-CE 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.49Å; A500-K504 PolarHBondContact O-NZ 3.17Å; L501-K504 CarbonylContact O-C 3.54Å; L501-K504 WeakPolarHBondContact O-CA 3.48Å; L501-K504 WeakPolarHBondContact O-CB 3.45Å; L501-K504 PolarHBondContact O-N 3.27Å; E502-K504 VanDerWaalsContact C-N 3.25Å; E502-K504 PolarHBondContact O-N 2.9Å; K504-S507 WeakPolarHBondContact O-CB 3.46Å; K504-S507 PolarHBondContact O-N 2.91Å; K504-S507 VanDerWaalsContact O-N 3.08Å; K504-S507 PolarHBondContact O-OG 3.47Å; K504-L508 PolarHBondContact O-N 3.37Å |
| 505 | H | 92.5 | Very high | 92.6 | Very high | 112 Ų | 112 | 92.8 Ų | 92.8 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.9 | -51.6 | 176.4 | -180 | -110 | 0 | 0 | 0 | 110.8 | L501 E502 S507 L508 E509 | L501-H505 PolarHBondContact O-N 3.05Å; E502-H505 PolarHBondContact O-N 3.48Å; E502-H505 VanDerWaalsContact O-N 3.14Å; E502-H505 IonicContact OE1-ND1 2.83Å; H505-S507 PolarHBondContact O-N 3.18Å; H505-L508 PolarHBondContact O-N 3.06Å; H505-E509 WeakPolarHBondContact O-CB 3.38Å; H505-E509 PolarHBondContact O-N 3.39Å |
| 506 | S | 92 | Very high | 92.5 | Very high | 36 Ų | 36 | 90.9 Ų | 90.9 | 25% | 0.252 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -28.8 | 175.1 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | E502 K510 | E502-S506 PolarHBondContact O-N 2.82Å; S506-K510 VanDerWaalsContact O-CD 3.27Å; S506-K510 WeakPolarHBondContact O-CD 3.24Å; S506-K510 VanDerWaalsContact O-CG 3.28Å; S506-K510 WeakPolarHBondContact O-CG 3.49Å; S506-K510 PolarHBondContact O-N 2.9Å; S506-K510 PolarHBondContact OG-NZ 2.94Å |
| 507 | S | 92.9 | Very high | 92.4 | Very high | 73 Ų | 73 | 88.6 Ų | 88.6 | 51% | 0.51 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.8 | -37.7 | 174.2 | 79.8 | 0 | 0 | 0 | 0 | 112.8 | T503 K504 H505 A511 | T503-S507 PolarHBondContact O-N 3.37Å; K504-S507 WeakPolarHBondContact O-CB 3.46Å; K504-S507 PolarHBondContact O-N 2.91Å; K504-S507 VanDerWaalsContact O-N 3.08Å; K504-S507 PolarHBondContact O-OG 3.47Å; H505-S507 PolarHBondContact O-N 3.18Å; S507-A511 PolarHBondContact O-N 2.84Å |
| 508 | L | 91.9 | Very high | 92.2 | Very high | 121 Ų | 121 | 90.2 Ų | 90.2 | 63% | 0.634 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -73.4 | -38.4 | 178.3 | -175.9 | 64 | 0 | 0 | 0 | 111.3 | K504 H505 K510 A511 Y512 | K504-L508 PolarHBondContact O-N 3.37Å; H505-L508 PolarHBondContact O-N 3.06Å; L508-K510 PolarHBondContact O-N 3.12Å; L508-A511 WeakPolarHBondContact O-CB 3.27Å; L508-A511 PolarHBondContact O-N 3.35Å; L508-Y512 PolarHBondContact O-N 3.09Å |
| 509 | E | 93.4 | Very high | 91.5 | Very high | 88 Ų | 88 | 91.4 Ų | 91.4 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 174.3 | -166.9 | -162.7 | 169.8 | 0 | 0 | 111 | H505 A511 Y512 Q513 | H505-E509 WeakPolarHBondContact O-CB 3.38Å; H505-E509 PolarHBondContact O-N 3.39Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.96Å; E509-Y512 WeakPolarHBondContact O-CB 3.36Å; E509-Y512 PolarHBondContact O-N 3.5Å; E509-Q513 WeakPolarHBondContact O-CG 3.13Å; E509-Q513 PolarHBondContact O-N 3.24Å; E509-Q513 PolarHBondContact OE1-NE2 3.14Å |
| 510 | K | 94.7 | Very high | 90.9 | Very high | 129 Ų | 129 | 90.6 Ų | 90.6 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -39.3 | 175.5 | -72.6 | 164.6 | -175.3 | 138.3 | 0 | 112.2 | S506 L508 S514 | S506-K510 VanDerWaalsContact O-CD 3.27Å; S506-K510 WeakPolarHBondContact O-CD 3.24Å; S506-K510 VanDerWaalsContact O-CG 3.28Å; S506-K510 WeakPolarHBondContact O-CG 3.49Å; S506-K510 PolarHBondContact O-N 2.9Å; S506-K510 PolarHBondContact OG-NZ 2.94Å; L508-K510 PolarHBondContact O-N 3.12Å; K510-S514 PolarHBondContact O-N 3.46Å |
| 511 | A | 93.8 | Very high | 90.3 | Very high | 50 Ų | 50 | 91.9 Ų | 91.9 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | S507 L508 E509 S514 V515 | S507-A511 PolarHBondContact O-N 2.84Å; L508-A511 WeakPolarHBondContact O-CB 3.27Å; L508-A511 PolarHBondContact O-N 3.35Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.96Å; A511-S514 WeakPolarHBondContact O-CB 3.46Å; A511-S514 PolarHBondContact O-N 3.38Å; A511-V515 WeakPolarHBondContact O-CG2 3.42Å; A511-V515 PolarHBondContact O-N 2.98Å |
| 512 | Y | 91.5 | Very high | 89.5 | Confident | 171 Ų | 171 | 91.2 Ų | 91.2 | 67% | 0.671 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 175.6 | 178.4 | -95.1 | 0 | 0 | 0 | 112.2 | L508 E509 S514 V515 S516 | L508-Y512 PolarHBondContact O-N 3.09Å; E509-Y512 WeakPolarHBondContact O-CB 3.36Å; E509-Y512 PolarHBondContact O-N 3.5Å; Y512-S514 VanDerWaalsContact C-N 3.33Å; Y512-S514 PolarHBondContact O-N 3.08Å; Y512-V515 PolarHBondContact O-N 3.44Å; Y512-S516 VanDerWaalsContact O-CB 3.29Å; Y512-S516 WeakPolarHBondContact O-CB 3.31Å; Y512-S516 PolarHBondContact O-N 2.91Å |
| 513 | Q | 92.3 | Very high | 88.6 | Confident | 107 Ų | 107 | 92.3 Ų | 92.3 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 174.8 | -69.6 | 178.2 | 16.7 | 0 | 0 | 111.6 | E509 S516 S517 | E509-Q513 WeakPolarHBondContact O-CG 3.13Å; E509-Q513 PolarHBondContact O-N 3.24Å; E509-Q513 PolarHBondContact OE1-NE2 3.14Å; Q513-S516 PolarHBondContact O-N 3.5Å; Q513-S517 PolarHBondContact O-N 2.95Å |
| 514 | S | 93.4 | Very high | 87.3 | Confident | 56 Ų | 56 | 90.2 Ų | 90.2 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.1 | -54.9 | 173.6 | -164.9 | 0 | 0 | 0 | 0 | 111.6 | K510 A511 Y512 S516 S517 E518 | K510-S514 PolarHBondContact O-N 3.46Å; A511-S514 WeakPolarHBondContact O-CB 3.46Å; A511-S514 PolarHBondContact O-N 3.38Å; Y512-S514 VanDerWaalsContact C-N 3.33Å; Y512-S514 PolarHBondContact O-N 3.08Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 PolarHBondContact O-N 3.4Å; S514-S517 WeakPolarHBondContact O-CB 3.3Å; S514-S517 PolarHBondContact O-N 2.87Å; S514-S517 PolarHBondContact O-OG 3.12Å; S514-E518 PolarHBondContact O-N 3.05Å; S514-E518 PolarHBondContact OG-OE1 3.16Å |
| 515 | V | 90.4 | Very high | 86 | Confident | 90 Ų | 90 | 93 Ų | 93 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | -179.2 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | A511 Y512 E518 L519 | A511-V515 WeakPolarHBondContact O-CG2 3.42Å; A511-V515 PolarHBondContact O-N 2.98Å; Y512-V515 PolarHBondContact O-N 3.44Å; V515-E518 PolarHBondContact O-N 3.02Å; V515-L519 WeakPolarHBondContact O-CB 3.35Å; V515-L519 PolarHBondContact O-N 3.39Å |
| 516 | S | 90 | Very high | 84.4 | Confident | 50 Ų | 50 | 93.8 Ų | 93.8 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | Y512 Q513 S514 T520 | Y512-S516 VanDerWaalsContact O-CB 3.29Å; Y512-S516 WeakPolarHBondContact O-CB 3.31Å; Y512-S516 PolarHBondContact O-N 2.91Å; Q513-S516 PolarHBondContact O-N 3.5Å; S514-S516 VanDerWaalsContact C-N 3.29Å; S514-S516 PolarHBondContact O-N 3.4Å; S516-T520 WeakPolarHBondContact O-CB 3.19Å; S516-T520 PolarHBondContact O-N 2.69Å; S516-T520 PolarHBondContact O-OG1 3.12Å |
| 517 | S | 88.5 | Confident | 82.6 | Confident | 61 Ų | 61 | 96.7 Ų | 96.7 | 43% | 0.427 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.3 | -37 | 174.8 | 80.9 | 0 | 0 | 0 | 0 | 112.8 | Q513 S514 S521 | Q513-S517 PolarHBondContact O-N 2.95Å; S514-S517 WeakPolarHBondContact O-CB 3.3Å; S514-S517 PolarHBondContact O-N 2.87Å; S514-S517 PolarHBondContact O-OG 3.12Å; S517-S521 WeakPolarHBondContact O-CB 3.35Å; S517-S521 PolarHBondContact O-N 3.48Å; S517-S521 PolarHBondContact O-OG 3.02Å |
| 518 | E | 89.1 | Confident | 80 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 174.2 | -73 | 175.3 | -133.8 | 0 | 0 | 111.6 | S514 V515 T520 S521 L522 | S514-E518 PolarHBondContact O-N 3.05Å; S514-E518 PolarHBondContact OG-OE1 3.16Å; V515-E518 PolarHBondContact O-N 3.02Å; E518-T520 VanDerWaalsContact C-N 3.34Å; E518-T520 PolarHBondContact O-N 2.95Å; E518-S521 CarbonylContact O-C 3.5Å; E518-S521 WeakPolarHBondContact O-CB 3.41Å; E518-S521 PolarHBondContact O-N 3.48Å; E518-L522 PolarHBondContact O-N 2.95Å |
| 519 | L | 79.5 | Confident | 77.3 | Confident | 122 Ų | 122 | 101.9 Ų | 101.9 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 176.3 | -175.8 | 67 | 0 | 0 | 0 | 111.6 | V515 S521 L522 K523 | V515-L519 WeakPolarHBondContact O-CB 3.35Å; V515-L519 PolarHBondContact O-N 3.39Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-L522 PolarHBondContact O-N 3.03Å; L519-K523 WeakPolarHBondContact O-CB 3.27Å; L519-K523 PolarHBondContact O-N 3.44Å |
| 520 | T | 80.5 | Confident | 74.5 | Confident | 64 Ų | 64 | 103.4 Ų | 103.4 | 39% | 0.393 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -42.3 | 174.7 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | S516 E518 K523 G524 | S516-T520 WeakPolarHBondContact O-CB 3.19Å; S516-T520 PolarHBondContact O-N 2.69Å; S516-T520 PolarHBondContact O-OG1 3.12Å; E518-T520 VanDerWaalsContact C-N 3.34Å; E518-T520 PolarHBondContact O-N 2.95Å; T520-K523 PolarHBondContact O-N 3.04Å; T520-G524 PolarHBondContact O-N 3.35Å |
| 521 | S | 79.5 | Confident | 71.6 | Confident | 67 Ų | 67 | 103.2 Ų | 103.2 | 47% | 0.469 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.3 | -37.3 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | S517 E518 L519 R525 | S517-S521 WeakPolarHBondContact O-CB 3.35Å; S517-S521 PolarHBondContact O-N 3.48Å; S517-S521 PolarHBondContact O-OG 3.02Å; E518-S521 CarbonylContact O-C 3.5Å; E518-S521 WeakPolarHBondContact O-CB 3.41Å; E518-S521 PolarHBondContact O-N 3.48Å; L519-S521 VanDerWaalsContact C-N 3.34Å; S521-R525 WeakPolarHBondContact O-CG 3.42Å; S521-R525 PolarHBondContact O-N 3Å |
| 522 | L | 73.5 | Confident | 68.7 | Low | 95 Ų | 95 | 111.3 Ų | 111.3 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.5 | -43.6 | 174.6 | -120.8 | 74.5 | 0 | 0 | 0 | 111.7 | E518 L519 G524 R525 I526 | E518-L522 PolarHBondContact O-N 2.95Å; L519-L522 PolarHBondContact O-N 3.03Å; L522-G524 VanDerWaalsContact C-N 3.29Å; L522-G524 PolarHBondContact O-N 2.98Å; L522-R525 PolarHBondContact O-N 2.92Å; L522-R525 VanDerWaalsContact O-N 3.09Å; L522-I526 WeakPolarHBondContact O-CG1 3.35Å; L522-I526 PolarHBondContact O-N 3.46Å |
| 523 | K | 73.4 | Confident | 65.7 | Low | 109 Ų | 109 | 106.7 Ų | 106.7 | 47% | 0.474 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -56.8 | -44.5 | 175.2 | -173.8 | 176 | 175.8 | -178 | 0 | 110.8 | L519 T520 R525 I526 S527 N1141 | L519-K523 WeakPolarHBondContact O-CB 3.27Å; L519-K523 PolarHBondContact O-N 3.44Å; T520-K523 PolarHBondContact O-N 3.04Å; K523-R525 PolarHBondContact O-N 2.62Å; K523-I526 PolarHBondContact O-N 3.37Å; K523-S527 PolarHBondContact O-N 2.98Å; K523-S527 PolarHBondContact O-OG 3.33Å; K523-N1141 PolarHBondContact NZ-OD1 2.93Å |
| 524 | G | 67.5 | Low | 62.9 | Low | 51 Ų | 51 | 107.3 Ų | 107.3 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.9 | -37.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T520 L522 | T520-G524 PolarHBondContact O-N 3.35Å; L522-G524 VanDerWaalsContact C-N 3.29Å; L522-G524 PolarHBondContact O-N 2.98Å |
| 525 | R | 65 | Low | 60 | Low | 188 Ų | 188 | 112.1 Ų | 112.1 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.6 | -38.2 | 177.1 | -71.5 | 176.3 | -176.3 | 173.1 | 3.5 | 113.2 | S521 L522 K523 S527 L528 | S521-R525 WeakPolarHBondContact O-CG 3.42Å; S521-R525 PolarHBondContact O-N 3Å; L522-R525 PolarHBondContact O-N 2.92Å; L522-R525 VanDerWaalsContact O-N 3.09Å; K523-R525 PolarHBondContact O-N 2.62Å; R525-S527 PolarHBondContact O-N 3.25Å; R525-L528 PolarHBondContact O-N 2.93Å |
| 526 | I | 59.8 | Low | 57.3 | Low | 129 Ų | 129 | 114.2 Ų | 114.2 | 66% | 0.662 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.7 | -25.8 | 179.4 | -68.2 | 164.6 | 0 | 0 | 0 | 111.4 | L522 K523 L528 | L522-I526 WeakPolarHBondContact O-CG1 3.35Å; L522-I526 PolarHBondContact O-N 3.46Å; K523-I526 PolarHBondContact O-N 3.37Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 3.16Å |
| 527 | S | 53.5 | Low | 55.1 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -3.5 | 179 | -65.6 | 0 | 0 | 0 | 0 | 116.1 | K523 R525 | K523-S527 PolarHBondContact O-N 2.98Å; K523-S527 PolarHBondContact O-OG 3.33Å; R525-S527 PolarHBondContact O-N 3.25Å |
| 528 | L | 39.6 | Very low | 52.7 | Low | 159 Ų | 159 | 127.2 Ų | 127.2 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | -10.9 | -173.2 | -146.9 | 77.6 | 0 | 0 | 0 | 116.2 | R525 I526 | R525-L528 PolarHBondContact O-N 2.93Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 3.16Å |
| 529 | D | 34.2 | Very low | 50.7 | Low | 144 Ų | 144 | 123.3 Ų | 123.3 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -129.3 | 149.9 | -173.8 | -112.7 | -46.8 | 0 | 0 | 0 | 113.9 | ||
| 530 | C | 34.2 | Very low | 49.2 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 66.7 | 60.5 | 176.2 | -156.6 | 0 | 0 | 0 | 0 | 117.9 | ||
| 531 | C | 33.6 | Very low | 48 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | trans | -166.5 | 87 | 145.5 | -106.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 532 | K | 32.8 | Very low | 46.9 | Very low | 221 Ų | 221 | 126.2 Ų | 126.2 | 96% | 0.961 | 69% | 0.692 | S | S | * | * | trans | 175.8 | 93.8 | 149.2 | -96.7 | 147.2 | -166.6 | 169.6 | 0 | 111.1 | ||||
| 533 | G | 30.2 | Very low | 46.2 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -157 | 136.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 534 | S | 32.8 | Very low | 45.9 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | 65.2 | 72.1 | 177.6 | -170.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 535 | L | 33 | Very low | 46 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | trans | -142.2 | 135.5 | 135.3 | -109.9 | 164.9 | 0 | 0 | 0 | 107.4 | ||||
| 536 | N | 32.6 | Very low | 46.4 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | trans | -161.7 | 140.6 | -168.6 | -110.4 | -30.8 | 0 | 0 | 0 | 111.2 | D539 | N536-D539 WeakPolarHBondContact CA-OD2 3.43Š| ||
| 537 | K | 43.4 | Very low | 47.1 | Very low | 196 Ų | 196 | 123.2 Ų | 123.2 | 85% | 0.852 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 86 | 21.1 | 172.8 | -53 | 178.4 | -179.2 | 178.6 | 0 | 118.3 | D539 | K537-D539 PolarHBondContact N-OD2 3.49Š|
| 538 | Q | 38.5 | Very low | 48.1 | Very low | 188 Ų | 188 | 122.1 Ų | 122.1 | 88% | 0.879 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -116.8 | 19.7 | 143.9 | -161.8 | 158.9 | -8.8 | 0 | 0 | 111.3 | ||
| 539 | D | 46.9 | Very low | 50 | Low | 31 Ų | 31 | 118 Ų | 118 | 17% | 0.166 | 64% | 0.64 | C | S | . | * | trans | -107 | -27 | -155.4 | -55.5 | -84 | 0 | 0 | 0 | 113.8 | N536 K537 I541 S542 D543 | N536-D539 WeakPolarHBondContact CA-OD2 3.43Å; K537-D539 PolarHBondContact N-OD2 3.49Å; D539-I541 VanDerWaalsContact C-N 3.31Å; D539-I541 PolarHBondContact O-N 3.26Å; D539-S542 CarbonylContact O-C 3.59Å; D539-S542 WeakPolarHBondContact O-CA 3.46Å; D539-S542 WeakPolarHBondContact O-CB 3.42Å; D539-S542 PolarHBondContact O-N 2.97Å; D539-D543 VanDerWaalsContact O-CB 3.29Å; D539-D543 WeakPolarHBondContact O-CB 3.47Å; D539-D543 PolarHBondContact O-N 3.45Å | ||
| 540 | D | 48.2 | Very low | 52.1 | Low | 121 Ų | 121 | 116 Ų | 116 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -53.9 | -39.5 | -168.1 | -80.2 | -58.3 | 0 | 0 | 0 | 115.6 | H544 R547 | D540-H544 WeakPolarHBondContact O-CB 3.45Å; D540-H544 PolarHBondContact O-N 3.15Å; D540-R547 PolarHBondContact O-NH2 2.99Å |
| 541 | I | 55.7 | Low | 54 | Low | 138 Ų | 138 | 112.5 Ų | 112.5 | 71% | 0.708 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.9 | -41.9 | 175.3 | -60 | 175.3 | 0 | 0 | 0 | 111.1 | D539 D543 H544 L545 | D539-I541 VanDerWaalsContact C-N 3.31Å; D539-I541 PolarHBondContact O-N 3.26Å; I541-D543 VanDerWaalsContact C-N 3.33Å; I541-D543 PolarHBondContact O-N 3.03Å; I541-H544 PolarHBondContact O-N 2.88Å; I541-L545 PolarHBondContact O-N 3.23Å |
| 542 | S | 57.2 | Low | 56.1 | Low | 54 Ų | 54 | 110.5 Ų | 110.5 | 38% | 0.378 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.3 | -43.9 | 177.3 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | D539 L545 K546 | D539-S542 CarbonylContact O-C 3.59Å; D539-S542 WeakPolarHBondContact O-CA 3.46Å; D539-S542 WeakPolarHBondContact O-CB 3.42Å; D539-S542 PolarHBondContact O-N 2.97Å; S542-L545 CarbonylContact O-C 3.59Å; S542-L545 PolarHBondContact O-N 2.96Å; S542-K546 VanDerWaalsContact O-CG 3.26Å; S542-K546 WeakPolarHBondContact O-CG 3.35Å; S542-K546 PolarHBondContact O-N 3.36Å; S542-K546 WeakPolarHBondContact OG-CE 3.12Å; S542-K546 PolarHBondContact OG-NZ 3.24Å |
| 543 | D | 58.5 | Low | 58.1 | Low | 46 Ų | 46 | 105.7 Ų | 105.7 | 25% | 0.246 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -75.5 | -27.3 | 176.7 | -76.7 | 5.5 | 0 | 0 | 0 | 112.2 | D539 I541 K546 R547 | D539-D543 VanDerWaalsContact O-CB 3.29Å; D539-D543 WeakPolarHBondContact O-CB 3.47Å; D539-D543 PolarHBondContact O-N 3.45Å; I541-D543 VanDerWaalsContact C-N 3.33Å; I541-D543 PolarHBondContact O-N 3.03Å; D543-K546 WeakPolarHBondContact OD1-CD 3.31Å; D543-K546 WeakPolarHBondContact OD1-CE 3.25Å; D543-K546 IonicContact OD1-NZ 2.82Å; D543-K546 PolarHBondContact OD1-NZ 3.34Å; D543-R547 VanDerWaalsContact C-NE 3.34Å; D543-R547 WeakPolarHBondContact O-CA 3.36Å; D543-R547 WeakPolarHBondContact O-CB 3.48Å; D543-R547 WeakPolarHBondContact O-CG 3.48Å; D543-R547 PolarHBondContact O-N 3.11Å; D543-R547 PolarHBondContact O-NE 3.3Å |
| 544 | H | 66.5 | Low | 60.3 | Low | 121 Ų | 121 | 106 Ų | 106 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.3 | -45 | 168 | -169.4 | 59.9 | 0 | 0 | 0 | 110.4 | D540 I541 R547 V548 | D540-H544 WeakPolarHBondContact O-CB 3.45Å; D540-H544 PolarHBondContact O-N 3.15Å; I541-H544 PolarHBondContact O-N 2.88Å; H544-R547 PolarHBondContact O-N 2.81Å; H544-V548 WeakPolarHBondContact O-CG2 3.17Å; H544-V548 PolarHBondContact O-N 2.88Å |
| 545 | L | 70.7 | Confident | 62.3 | Low | 123 Ų | 123 | 105.1 Ų | 105.1 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 172.5 | -94.2 | 163.1 | 0 | 0 | 0 | 112.9 | I541 S542 S549 | I541-L545 PolarHBondContact O-N 3.23Å; S542-L545 CarbonylContact O-C 3.59Å; S542-L545 PolarHBondContact O-N 2.96Å; L545-S549 WeakPolarHBondContact O-CB 3.24Å; L545-S549 PolarHBondContact O-N 3.43Å |
| 546 | K | 72.1 | Confident | 64 | Low | 89 Ų | 89 | 100.6 Ų | 100.6 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 172.3 | -66.8 | 166.7 | -147.7 | 154.5 | 0 | 111.2 | S542 D543 S549 I550 | S542-K546 VanDerWaalsContact O-CG 3.26Å; S542-K546 WeakPolarHBondContact O-CG 3.35Å; S542-K546 PolarHBondContact O-N 3.36Å; S542-K546 WeakPolarHBondContact OG-CE 3.12Å; S542-K546 PolarHBondContact OG-NZ 3.24Å; D543-K546 WeakPolarHBondContact OD1-CD 3.31Å; D543-K546 WeakPolarHBondContact OD1-CE 3.25Å; D543-K546 IonicContact OD1-NZ 2.82Å; D543-K546 PolarHBondContact OD1-NZ 3.34Å; K546-S549 PolarHBondContact O-N 2.87Å; K546-I550 HydrophobicContact CB-CD1 4.31Å; K546-I550 WeakPolarHBondContact O-CA 3.33Å; K546-I550 WeakPolarHBondContact O-CB 3.46Å; K546-I550 WeakPolarHBondContact O-CD1 3.26Å; K546-I550 WeakPolarHBondContact O-CG1 3.48Å; K546-I550 PolarHBondContact O-N 3.42Å |
| 547 | R | 74.8 | Confident | 65.9 | Low | 131 Ų | 131 | 97.2 Ų | 97.2 | 49% | 0.494 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 179.1 | -78.3 | 170.7 | -71.7 | -143.4 | 4 | 111.7 | D540 D543 H544 A551 | D540-R547 PolarHBondContact O-NH2 2.99Å; D543-R547 VanDerWaalsContact C-NE 3.34Å; D543-R547 WeakPolarHBondContact O-CA 3.36Å; D543-R547 WeakPolarHBondContact O-CB 3.48Å; D543-R547 WeakPolarHBondContact O-CG 3.48Å; D543-R547 PolarHBondContact O-N 3.11Å; D543-R547 PolarHBondContact O-NE 3.3Å; H544-R547 PolarHBondContact O-N 2.81Å; R547-A551 VanDerWaalsContact O-CB 3.24Å; R547-A551 WeakPolarHBondContact O-CB 3.28Å; R547-A551 PolarHBondContact O-N 3.13Å |
| 548 | V | 75.7 | Confident | 67.1 | Low | 73 Ų | 73 | 94.4 Ų | 94.4 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 173 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | H544 A551 V552 | H544-V548 WeakPolarHBondContact O-CG2 3.17Å; H544-V548 PolarHBondContact O-N 2.88Å; V548-A551 PolarHBondContact O-N 3.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.5Å; V548-V552 PolarHBondContact O-N 2.87Å |
| 549 | S | 77.7 | Confident | 68.4 | Low | 73 Ų | 73 | 91 Ų | 91 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.2 | -174 | 0 | 0 | 0 | 0 | 112 | L545 K546 Q553 | L545-S549 WeakPolarHBondContact O-CB 3.24Å; L545-S549 PolarHBondContact O-N 3.43Å; K546-S549 PolarHBondContact O-N 2.87Å; S549-Q553 WeakPolarHBondContact O-CB 3.5Å; S549-Q553 PolarHBondContact O-N 2.88Å |
| 550 | I | 78.4 | Confident | 69.3 | Low | 101 Ų | 101 | 93.7 Ų | 93.7 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 173.9 | -71.2 | 163.6 | 0 | 0 | 0 | 110.2 | K546 Q553 T554 | K546-I550 HydrophobicContact CB-CD1 4.31Å; K546-I550 WeakPolarHBondContact O-CA 3.33Å; K546-I550 WeakPolarHBondContact O-CB 3.46Å; K546-I550 WeakPolarHBondContact O-CD1 3.26Å; K546-I550 WeakPolarHBondContact O-CG1 3.48Å; K546-I550 PolarHBondContact O-N 3.42Å; I550-Q553 CarbonylContact O-C 3.59Å; I550-Q553 PolarHBondContact O-N 2.8Å; I550-T554 VanDerWaalsContact O-CB 3.3Å; I550-T554 WeakPolarHBondContact O-CB 3.49Å; I550-T554 PolarHBondContact O-N 2.98Å; I550-T554 PolarHBondContact O-OG1 3.15Å |
| 551 | A | 75.8 | Confident | 69.9 | Low | 47 Ų | 47 | 92.2 Ų | 92.2 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R547 V548 Q553 T554 D555 | R547-A551 VanDerWaalsContact O-CB 3.24Å; R547-A551 WeakPolarHBondContact O-CB 3.28Å; R547-A551 PolarHBondContact O-N 3.13Å; V548-A551 PolarHBondContact O-N 3.37Å; A551-Q553 VanDerWaalsContact C-N 3.35Å; A551-Q553 PolarHBondContact O-N 3.44Å; A551-T554 PolarHBondContact O-N 3.45Å; A551-D555 WeakPolarHBondContact O-CB 3.5Å; A551-D555 VanDerWaalsContact O-CG 3.29Å; A551-D555 PolarHBondContact O-N 3.19Å |
| 552 | V | 77.1 | Confident | 70.3 | Confident | 83 Ų | 83 | 88.6 Ų | 88.6 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | V548 T554 D555 C556 | V548-V552 WeakPolarHBondContact O-CG2 3.5Å; V548-V552 PolarHBondContact O-N 2.87Å; V552-T554 VanDerWaalsContact C-N 3.35Å; V552-T554 PolarHBondContact O-N 3.42Å; V552-D555 PolarHBondContact O-N 2.83Å; V552-C556 VanDerWaalsContact O-CB 3.28Å; V552-C556 WeakPolarHBondContact O-CB 3.43Å; V552-C556 PolarHBondContact O-N 3.42Å; V552-C556 PolarHBondContact O-SG 3.46Å |
| 553 | Q | 73.5 | Confident | 70.3 | Confident | 120 Ų | 120 | 91.6 Ų | 91.6 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -38.7 | 175.7 | -166.6 | 72.6 | 38.8 | 0 | 0 | 111.7 | S549 I550 A551 V557 | S549-Q553 WeakPolarHBondContact O-CB 3.5Å; S549-Q553 PolarHBondContact O-N 2.88Å; I550-Q553 CarbonylContact O-C 3.59Å; I550-Q553 PolarHBondContact O-N 2.8Å; A551-Q553 VanDerWaalsContact C-N 3.35Å; A551-Q553 PolarHBondContact O-N 3.44Å; Q553-V557 VanDerWaalsContact O-CB 3.31Å; Q553-V557 WeakPolarHBondContact O-CB 3.5Å; Q553-V557 WeakPolarHBondContact O-CG2 3.44Å; Q553-V557 PolarHBondContact O-N 2.94Å |
| 554 | T | 76.7 | Confident | 70.3 | Confident | 80 Ų | 80 | 95.2 Ų | 95.2 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.7 | -40.9 | 177.7 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | I550 A551 V552 V557 F558 | I550-T554 VanDerWaalsContact O-CB 3.3Å; I550-T554 WeakPolarHBondContact O-CB 3.49Å; I550-T554 PolarHBondContact O-N 2.98Å; I550-T554 PolarHBondContact O-OG1 3.15Å; A551-T554 PolarHBondContact O-N 3.45Å; V552-T554 VanDerWaalsContact C-N 3.35Å; V552-T554 PolarHBondContact O-N 3.42Å; T554-V557 PolarHBondContact O-N 3.13Å; T554-F558 WeakPolarHBondContact O-CB 3.48Å; T554-F558 PolarHBondContact O-N 2.86Å |
| 555 | D | 74.3 | Confident | 70.2 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 174.6 | -69.3 | -21.6 | 0 | 0 | 0 | 110.8 | A551 V552 L559 | A551-D555 WeakPolarHBondContact O-CB 3.5Å; A551-D555 VanDerWaalsContact O-CG 3.29Å; A551-D555 PolarHBondContact O-N 3.19Å; V552-D555 PolarHBondContact O-N 2.83Å; D555-L559 WeakPolarHBondContact O-CB 3.35Å; D555-L559 WeakPolarHBondContact O-CG 3.47Å; D555-L559 PolarHBondContact O-N 3.38Å |
| 556 | C | 70.7 | Confident | 70 | Confident | 61 Ų | 61 | 92.4 Ų | 92.4 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 172.3 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | V552 L559 I560 | V552-C556 VanDerWaalsContact O-CB 3.28Å; V552-C556 WeakPolarHBondContact O-CB 3.43Å; V552-C556 PolarHBondContact O-N 3.42Å; V552-C556 PolarHBondContact O-SG 3.46Å; C556-L559 PolarHBondContact O-N 2.76Å; C556-I560 WeakPolarHBondContact O-CB 3.35Å; C556-I560 WeakPolarHBondContact O-CD1 3.44Å; C556-I560 WeakPolarHBondContact O-CG1 3.3Å; C556-I560 PolarHBondContact O-N 3.3Å |
| 557 | V | 70.6 | Confident | 69.5 | Low | 63 Ų | 63 | 93.3 Ų | 93.3 | 38% | 0.382 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.3 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | Q553 T554 L559 I560 D561 | Q553-V557 VanDerWaalsContact O-CB 3.31Å; Q553-V557 WeakPolarHBondContact O-CB 3.5Å; Q553-V557 WeakPolarHBondContact O-CG2 3.44Å; Q553-V557 PolarHBondContact O-N 2.94Å; T554-V557 PolarHBondContact O-N 3.13Å; V557-L559 PolarHBondContact O-N 2.98Å; V557-I560 PolarHBondContact O-N 3.3Å; V557-D561 WeakPolarHBondContact O-CB 3.44Å; V557-D561 PolarHBondContact O-N 3.05Å |
| 558 | F | 69.6 | Low | 69.4 | Low | 138 Ų | 138 | 89.3 Ų | 89.3 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.7 | -36.7 | 178.2 | -173.5 | -98.1 | 0 | 0 | 0 | 112.5 | T554 S562 | T554-F558 WeakPolarHBondContact O-CB 3.48Å; T554-F558 PolarHBondContact O-N 2.86Å; F558-S562 WeakPolarHBondContact O-CB 3.42Å; F558-S562 PolarHBondContact O-N 2.9Å; F558-S562 PolarHBondContact O-OG 3.4Å |
| 559 | L | 66.2 | Low | 69.5 | Low | 115 Ų | 115 | 89.4 Ų | 89.4 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.5 | -35.5 | 172 | -82.4 | 164.7 | 0 | 0 | 0 | 112.7 | D555 C556 V557 L563 | D555-L559 WeakPolarHBondContact O-CB 3.35Å; D555-L559 WeakPolarHBondContact O-CG 3.47Å; D555-L559 PolarHBondContact O-N 3.38Å; C556-L559 PolarHBondContact O-N 2.76Å; V557-L559 PolarHBondContact O-N 2.98Å; L559-L563 PolarHBondContact O-N 3.36Å |
| 560 | I | 65.4 | Low | 69.5 | Low | 88 Ų | 88 | 88.7 Ų | 88.7 | 45% | 0.451 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.2 | -54.8 | 174.8 | -72 | 165.3 | 0 | 0 | 0 | 109.7 | C556 V557 S562 L563 E564 | C556-I560 WeakPolarHBondContact O-CB 3.35Å; C556-I560 WeakPolarHBondContact O-CD1 3.44Å; C556-I560 WeakPolarHBondContact O-CG1 3.3Å; C556-I560 PolarHBondContact O-N 3.3Å; V557-I560 PolarHBondContact O-N 3.3Å; I560-S562 PolarHBondContact O-N 3.41Å; I560-L563 PolarHBondContact O-N 2.87Å; I560-E564 HydrophobicContact CG2-CG 3.96Å; I560-E564 WeakPolarHBondContact CG2-OE2 3.48Å; I560-E564 WeakPolarHBondContact O-CB 3.21Å; I560-E564 PolarHBondContact O-N 2.92Å |
| 561 | D | 60.9 | Low | 69.5 | Low | 91 Ų | 91 | 88.7 Ų | 88.7 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -53.1 | -41.5 | 174.7 | -81.2 | -26.1 | 0 | 0 | 0 | 111.9 | V557 L563 N565 | V557-D561 WeakPolarHBondContact O-CB 3.44Å; V557-D561 PolarHBondContact O-N 3.05Å; D561-L563 VanDerWaalsContact C-N 3.26Å; D561-L563 PolarHBondContact O-N 3.32Å; D561-N565 WeakPolarHBondContact O-CB 3.41Å; D561-N565 PolarHBondContact O-N 2.97Å |
| 562 | S | 64 | Low | 69.7 | Low | 61 Ų | 61 | 90.4 Ų | 90.4 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -20.3 | -179.7 | -64.9 | 0 | 0 | 0 | 0 | 114.3 | F558 I560 | F558-S562 WeakPolarHBondContact O-CB 3.42Å; F558-S562 PolarHBondContact O-N 2.9Å; F558-S562 PolarHBondContact O-OG 3.4Å; I560-S562 PolarHBondContact O-N 3.41Å |
| 563 | L | 58 | Low | 70.1 | Confident | 117 Ų | 117 | 91.6 Ų | 91.6 | 61% | 0.613 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -102.5 | -41.5 | 173.3 | -94.1 | 78.8 | 0 | 0 | 0 | 112.5 | L559 I560 D561 P566 L567 | L559-L563 PolarHBondContact O-N 3.36Å; I560-L563 PolarHBondContact O-N 2.87Å; D561-L563 VanDerWaalsContact C-N 3.26Å; D561-L563 PolarHBondContact O-N 3.32Å; L563-P566 WeakPolarHBondContact O-CD 3.48Å; L563-P566 WeakPolarHBondContact O-CG 3.42Å; L563-L567 PolarHBondContact O-N 3.5Å |
| 564 | E | 57.4 | Low | 70.6 | Confident | 122 Ų | 122 | 89.8 Ų | 89.8 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.1 | -36.5 | -177.6 | -72.6 | -159.2 | 125.7 | 0 | 0 | 112.2 | I560 L567 S568 | I560-E564 HydrophobicContact CG2-CG 3.96Å; I560-E564 WeakPolarHBondContact CG2-OE2 3.48Å; I560-E564 WeakPolarHBondContact O-CB 3.21Å; I560-E564 PolarHBondContact O-N 2.92Å; E564-L567 PolarHBondContact O-N 3.5Å; E564-S568 WeakPolarHBondContact O-CA 3.47Å; E564-S568 WeakPolarHBondContact O-CB 3.22Å; E564-S568 PolarHBondContact O-N 2.99Å; E564-S568 PolarHBondContact O-OG 3.14Å |
| 565 | N | 64.3 | Low | 71.2 | Confident | 104 Ų | 104 | 93.2 Ų | 93.2 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -53.2 | -178.1 | -156.6 | -15.5 | 0 | 0 | 0 | 112.6 | D561 S568 V569 | D561-N565 WeakPolarHBondContact O-CB 3.41Å; D561-N565 PolarHBondContact O-N 2.97Å; N565-S568 PolarHBondContact O-OG 3.11Å; N565-V569 WeakPolarHBondContact O-CG2 3.48Å; N565-V569 PolarHBondContact O-N 3.47Å |
| 566 | P | 65.9 | Low | 72 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 176.5 | 26.6 | -34.5 | 0 | 0 | 0 | 114.1 | L563 S570 | L563-P566 WeakPolarHBondContact O-CD 3.48Å; L563-P566 WeakPolarHBondContact O-CG 3.42Å; P566-S570 PolarHBondContact O-N 2.97Å |
| 567 | L | 63.4 | Low | 73.1 | Confident | 108 Ų | 108 | 97.7 Ų | 97.7 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.5 | -44.3 | 177.6 | -100.7 | 76.9 | 0 | 0 | 0 | 112.5 | L563 E564 V569 S570 I571 | L563-L567 PolarHBondContact O-N 3.5Å; E564-L567 PolarHBondContact O-N 3.5Å; L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.34Å; L567-S570 PolarHBondContact O-N 3.48Å; L567-I571 HydrophobicContact CB-CD1 4.29Å; L567-I571 WeakPolarHBondContact O-CB 3.44Å; L567-I571 WeakPolarHBondContact O-CD1 3.47Å; L567-I571 VanDerWaalsContact O-CG1 3.22Å; L567-I571 WeakPolarHBondContact O-CG1 3.35Å; L567-I571 PolarHBondContact O-N 2.7Å |
| 568 | S | 70.9 | Confident | 73.9 | Confident | 48 Ų | 48 | 99.7 Ų | 99.7 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -32.8 | -176.2 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | E564 N565 N572 | E564-S568 WeakPolarHBondContact O-CA 3.47Å; E564-S568 WeakPolarHBondContact O-CB 3.22Å; E564-S568 PolarHBondContact O-N 2.99Å; E564-S568 PolarHBondContact O-OG 3.14Å; N565-S568 PolarHBondContact O-OG 3.11Å; S568-N572 VanDerWaalsContact O-CB 3.23Å; S568-N572 WeakPolarHBondContact O-CB 3.43Å; S568-N572 VanDerWaalsContact O-CG 3.26Å; S568-N572 PolarHBondContact O-N 2.7Å; S568-N572 PolarHBondContact O-ND2 3.26Å |
| 569 | V | 77.7 | Confident | 74.8 | Confident | 74 Ų | 74 | 97.7 Ų | 97.7 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -53.3 | 170.8 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | N565 L567 I571 N572 E573 | N565-V569 WeakPolarHBondContact O-CG2 3.48Å; N565-V569 PolarHBondContact O-N 3.47Å; L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.34Å; V569-I571 VanDerWaalsContact C-N 3.34Å; V569-I571 PolarHBondContact O-N 3.27Å; V569-N572 PolarHBondContact O-N 3.05Å; V569-E573 WeakPolarHBondContact O-CG 3.32Å; V569-E573 PolarHBondContact O-N 2.99Å |
| 570 | S | 79.1 | Confident | 76.1 | Confident | 59 Ų | 59 | 98.4 Ų | 98.4 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 178.5 | -165.7 | 0 | 0 | 0 | 0 | 112.1 | P566 L567 N572 E573 D574 | P566-S570 PolarHBondContact O-N 2.97Å; L567-S570 PolarHBondContact O-N 3.48Å; S570-N572 PolarHBondContact O-N 3.12Å; S570-E573 PolarHBondContact O-N 2.9Å; S570-D574 WeakPolarHBondContact O-CB 3.45Å; S570-D574 PolarHBondContact O-N 2.93Å |
| 571 | I | 78.9 | Confident | 77.5 | Confident | 101 Ų | 101 | 99.2 Ų | 99.2 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.5 | -70.9 | 165.4 | 0 | 0 | 0 | 111 | L567 V569 R575 | L567-I571 HydrophobicContact CB-CD1 4.29Å; L567-I571 WeakPolarHBondContact O-CB 3.44Å; L567-I571 WeakPolarHBondContact O-CD1 3.47Å; L567-I571 VanDerWaalsContact O-CG1 3.22Å; L567-I571 WeakPolarHBondContact O-CG1 3.35Å; L567-I571 PolarHBondContact O-N 2.7Å; V569-I571 VanDerWaalsContact C-N 3.34Å; V569-I571 PolarHBondContact O-N 3.27Å; I571-R575 WeakPolarHBondContact O-CB 3.34Å; I571-R575 PolarHBondContact O-N 2.85Å |
| 572 | N | 78.7 | Confident | 78.9 | Confident | 82 Ų | 82 | 98.6 Ų | 98.6 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 176.9 | -78.9 | -44.7 | 0 | 0 | 0 | 112.3 | S568 V569 S570 R575 K576 | S568-N572 VanDerWaalsContact O-CB 3.23Å; S568-N572 WeakPolarHBondContact O-CB 3.43Å; S568-N572 VanDerWaalsContact O-CG 3.26Å; S568-N572 PolarHBondContact O-N 2.7Å; S568-N572 PolarHBondContact O-ND2 3.26Å; V569-N572 PolarHBondContact O-N 3.05Å; S570-N572 PolarHBondContact O-N 3.12Å; N572-R575 PolarHBondContact O-N 3.05Å; N572-K576 WeakPolarHBondContact O-CB 3.38Å; N572-K576 PolarHBondContact O-N 3.01Å |
| 573 | E | 85.7 | Confident | 80.4 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 174.8 | -71.5 | -171 | 120.7 | 0 | 0 | 112.1 | V569 S570 K576 K577 | V569-E573 WeakPolarHBondContact O-CG 3.32Å; V569-E573 PolarHBondContact O-N 2.99Å; S570-E573 PolarHBondContact O-N 2.9Å; E573-K576 WeakPolarHBondContact O-CB 3.45Å; E573-K576 PolarHBondContact O-N 3.13Å; E573-K577 VanDerWaalsContact O-CG 3.32Å; E573-K577 WeakPolarHBondContact O-CG 3.43Å; E573-K577 PolarHBondContact O-N 2.68Å |
| 574 | D | 85.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.6 | -35 | 175.2 | -69.4 | -28.6 | 0 | 0 | 0 | 112 | S570 K576 K577 L578 | S570-D574 WeakPolarHBondContact O-CB 3.45Å; S570-D574 PolarHBondContact O-N 2.93Å; D574-K576 VanDerWaalsContact C-N 3.3Å; D574-K576 PolarHBondContact O-N 3.29Å; D574-K577 PolarHBondContact O-N 3.26Å; D574-K577 IonicContact OD1-NZ 2.69Å; D574-K577 PolarHBondContact OD1-NZ 2.8Å; D574-L578 VanDerWaalsContact O-CB 3.31Å; D574-L578 WeakPolarHBondContact O-CB 3.48Å; D574-L578 PolarHBondContact O-N 3.28Å |
| 575 | R | 87.6 | Confident | 83.6 | Confident | 153 Ų | 153 | 97.4 Ų | 97.4 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -32.8 | 170.5 | -159.4 | 178.6 | 95.2 | -155.6 | 8.3 | 112.1 | I571 N572 N579 | I571-R575 WeakPolarHBondContact O-CB 3.34Å; I571-R575 PolarHBondContact O-N 2.85Å; N572-R575 PolarHBondContact O-N 3.05Å; R575-N579 PolarHBondContact O-N 2.89Å; R575-N579 VanDerWaalsContact O-N 3.07Å |
| 576 | K | 91 | Very high | 84.8 | Confident | 157 Ų | 157 | 98.3 Ų | 98.3 | 68% | 0.683 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -48 | 173.9 | -168.6 | -178.6 | 179.6 | -172.6 | 0 | 111.2 | N572 E573 D574 L578 N579 E580 | N572-K576 WeakPolarHBondContact O-CB 3.38Å; N572-K576 PolarHBondContact O-N 3.01Å; E573-K576 WeakPolarHBondContact O-CB 3.45Å; E573-K576 PolarHBondContact O-N 3.13Å; D574-K576 VanDerWaalsContact C-N 3.3Å; D574-K576 PolarHBondContact O-N 3.29Å; K576-L578 VanDerWaalsContact C-N 3.32Å; K576-L578 PolarHBondContact O-N 3.37Å; K576-N579 PolarHBondContact O-N 3Å; K576-E580 WeakPolarHBondContact O-CB 3.44Å; K576-E580 PolarHBondContact O-N 2.88Å |
| 577 | K | 93.7 | Very high | 86 | Confident | 100 Ų | 100 | 99 Ų | 99 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 173.5 | -64.6 | 164 | -152.5 | 160.4 | 0 | 111.7 | E573 D574 E580 I581 | E573-K577 VanDerWaalsContact O-CG 3.32Å; E573-K577 WeakPolarHBondContact O-CG 3.43Å; E573-K577 PolarHBondContact O-N 2.68Å; D574-K577 PolarHBondContact O-N 3.26Å; D574-K577 IonicContact OD1-NZ 2.69Å; D574-K577 PolarHBondContact OD1-NZ 2.8Å; K577-E580 PolarHBondContact O-N 3.45Å; K577-I581 WeakPolarHBondContact O-CB 3.5Å; K577-I581 VanDerWaalsContact O-CG1 3.29Å; K577-I581 WeakPolarHBondContact O-CG1 3.43Å; K577-I581 PolarHBondContact O-N 3.23Å |
| 578 | L | 88.7 | Confident | 87.4 | Confident | 105 Ų | 105 | 98.9 Ų | 98.9 | 55% | 0.55 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.6 | -177.1 | 65 | 0 | 0 | 0 | 111.8 | D574 K576 T582 | D574-L578 VanDerWaalsContact O-CB 3.31Å; D574-L578 WeakPolarHBondContact O-CB 3.48Å; D574-L578 PolarHBondContact O-N 3.28Å; K576-L578 VanDerWaalsContact C-N 3.32Å; K576-L578 PolarHBondContact O-N 3.37Å; L578-T582 WeakPolarHBondContact O-CB 3.43Å; L578-T582 PolarHBondContact O-N 2.96Å; L578-T582 PolarHBondContact O-OG1 3.44Å |
| 579 | N | 88.9 | Confident | 88.4 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.9 | -76.5 | 2.6 | 0 | 0 | 0 | 111.8 | R575 K576 T582 V583 | R575-N579 PolarHBondContact O-N 2.89Å; R575-N579 VanDerWaalsContact O-N 3.07Å; K576-N579 PolarHBondContact O-N 3Å; N579-T582 WeakPolarHBondContact O-CB 3.45Å; N579-T582 PolarHBondContact O-N 2.99Å; N579-V583 WeakPolarHBondContact O-CG2 3.36Å; N579-V583 PolarHBondContact O-N 2.84Å |
| 580 | E | 93.4 | Very high | 89 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 178 | -172.9 | 166.6 | -146.2 | 0 | 0 | 112 | K576 K577 T582 V583 E584 | K576-E580 WeakPolarHBondContact O-CB 3.44Å; K576-E580 PolarHBondContact O-N 2.88Å; K577-E580 PolarHBondContact O-N 3.45Å; E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 3.47Å; E580-V583 PolarHBondContact O-N 3.26Å; E580-E584 PolarHBondContact O-N 3.41Å |
| 581 | I | 93.6 | Very high | 89.5 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 173.3 | -68.3 | 166 | 0 | 0 | 0 | 111.6 | K577 E584 L585 | K577-I581 WeakPolarHBondContact O-CB 3.5Å; K577-I581 VanDerWaalsContact O-CG1 3.29Å; K577-I581 WeakPolarHBondContact O-CG1 3.43Å; K577-I581 PolarHBondContact O-N 3.23Å; I581-E584 PolarHBondContact O-N 2.97Å; I581-L585 HydrophobicContact CG2-CD1 4.27Å; I581-L585 WeakPolarHBondContact O-CB 3.35Å; I581-L585 PolarHBondContact O-N 3.23Å |
| 582 | T | 91.3 | Very high | 90 | Very high | 78 Ų | 78 | 103.3 Ų | 103.3 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 177.6 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | L578 N579 E580 H586 | L578-T582 WeakPolarHBondContact O-CB 3.43Å; L578-T582 PolarHBondContact O-N 2.96Å; L578-T582 PolarHBondContact O-OG1 3.44Å; N579-T582 WeakPolarHBondContact O-CB 3.45Å; N579-T582 PolarHBondContact O-N 2.99Å; E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 3.47Å; T582-H586 PolarHBondContact O-N 3.29Å |
| 583 | V | 94.5 | Very high | 90.6 | Very high | 81 Ų | 81 | 102 Ų | 102 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 175.1 | 170 | 0 | 0 | 0 | 0 | 111.4 | N579 E580 H586 K587 | N579-V583 WeakPolarHBondContact O-CG2 3.36Å; N579-V583 PolarHBondContact O-N 2.84Å; E580-V583 PolarHBondContact O-N 3.26Å; V583-H586 WeakPolarHBondContact O-CB 3.45Å; V583-H586 PolarHBondContact O-N 3.48Å; V583-H586 VanDerWaalsContact O-N 3.16Å; V583-K587 PolarHBondContact O-N 3Å |
| 584 | E | 94 | Very high | 90.8 | Very high | 83 Ų | 83 | 100.4 Ų | 100.4 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 177 | -69.7 | -54.3 | 131.3 | 0 | 0 | 112.6 | E580 I581 H586 K587 I588 | E580-E584 PolarHBondContact O-N 3.41Å; I581-E584 PolarHBondContact O-N 2.97Å; E584-H586 VanDerWaalsContact C-N 3.27Å; E584-H586 PolarHBondContact O-N 3.04Å; E584-K587 PolarHBondContact O-N 2.95Å; E584-K587 WeakPolarHBondContact OE1-CD 3.4Å; E584-K587 WeakPolarHBondContact OE1-CE 3.23Å; E584-K587 IonicContact OE1-NZ 3.19Å; E584-K587 PolarHBondContact OE1-NZ 2.98Å; E584-K587 IonicContact OE2-NZ 3.86Å; E584-I588 WeakPolarHBondContact O-CB 3.25Å; E584-I588 VanDerWaalsContact O-CG1 3.24Å; E584-I588 WeakPolarHBondContact O-CG1 3.28Å; E584-I588 PolarHBondContact O-N 3.41Å |
| 585 | L | 88.1 | Confident | 91 | Very high | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.7 | -37.8 | 169.6 | -85.1 | 172.3 | 0 | 0 | 0 | 112.2 | I581 K589 | I581-L585 HydrophobicContact CG2-CD1 4.27Å; I581-L585 WeakPolarHBondContact O-CB 3.35Å; I581-L585 PolarHBondContact O-N 3.23Å; L585-K589 WeakPolarHBondContact O-CB 3.44Å; L585-K589 PolarHBondContact O-N 3.31Å |
| 586 | H | 90.2 | Very high | 91.1 | Very high | 124 Ų | 124 | 96.9 Ų | 96.9 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.5 | -47.1 | 176 | -162.4 | -74.2 | 0 | 0 | 0 | 111.8 | T582 V583 E584 I588 K589 E590 | T582-H586 PolarHBondContact O-N 3.29Å; V583-H586 WeakPolarHBondContact O-CB 3.45Å; V583-H586 PolarHBondContact O-N 3.48Å; V583-H586 VanDerWaalsContact O-N 3.16Å; E584-H586 VanDerWaalsContact C-N 3.27Å; E584-H586 PolarHBondContact O-N 3.04Å; H586-I588 PolarHBondContact O-N 3.13Å; H586-K589 PolarHBondContact O-N 2.92Å; H586-E590 PolarHBondContact O-N 3.2Å |
| 587 | K | 91.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 93 Ų | 93 | 41% | 0.409 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 174.7 | -70.4 | 178.8 | -174.4 | 167.2 | 0 | 112.4 | V583 E584 K589 E590 N591 | V583-K587 PolarHBondContact O-N 3Å; E584-K587 PolarHBondContact O-N 2.95Å; E584-K587 WeakPolarHBondContact OE1-CD 3.4Å; E584-K587 WeakPolarHBondContact OE1-CE 3.23Å; E584-K587 IonicContact OE1-NZ 3.19Å; E584-K587 PolarHBondContact OE1-NZ 2.98Å; E584-K587 IonicContact OE2-NZ 3.86Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K587-K589 PolarHBondContact O-N 3.22Å; K587-E590 PolarHBondContact O-N 2.89Å; K587-N591 WeakPolarHBondContact O-CB 3.49Å; K587-N591 VanDerWaalsContact O-CG 3.26Å; K587-N591 PolarHBondContact O-N 3.07Å; K587-N591 PolarHBondContact O-ND2 3.03Å |
| 588 | I | 92.3 | Very high | 90.2 | Very high | 107 Ų | 107 | 92.5 Ų | 92.5 | 55% | 0.549 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 179.7 | -70 | 166.5 | 0 | 0 | 0 | 110.7 | E584 H586 Y592 | E584-I588 WeakPolarHBondContact O-CB 3.25Å; E584-I588 VanDerWaalsContact O-CG1 3.24Å; E584-I588 WeakPolarHBondContact O-CG1 3.28Å; E584-I588 PolarHBondContact O-N 3.41Å; H586-I588 PolarHBondContact O-N 3.13Å; I588-Y592 WeakPolarHBondContact O-CB 3.4Å; I588-Y592 PolarHBondContact O-N 3.22Å |
| 589 | K | 91.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 93.6 Ų | 93.6 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 173.8 | -177.6 | -179.9 | 176.1 | -64.8 | 0 | 112.1 | L585 H586 K587 Y592 E593 | L585-K589 WeakPolarHBondContact O-CB 3.44Å; L585-K589 PolarHBondContact O-N 3.31Å; H586-K589 PolarHBondContact O-N 2.92Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K587-K589 PolarHBondContact O-N 3.22Å; K589-Y592 PolarHBondContact O-N 2.89Å; K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 IonicContact NZ-OE1 2.68Å; K589-E593 PolarHBondContact NZ-OE1 2.82Å; K589-E593 IonicContact NZ-OE2 2.68Å; K589-E593 PolarHBondContact O-N 3.26Å |
| 590 | E | 89.9 | Confident | 90 | Very high | 32 Ų | 32 | 95.2 Ų | 95.2 | 15% | 0.15 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 177.2 | -173.4 | -178.6 | 170.5 | 0 | 0 | 111.2 | H586 K587 Y592 E593 I594 S1162 | H586-E590 PolarHBondContact O-N 3.2Å; K587-E590 PolarHBondContact O-N 2.89Å; E590-Y592 VanDerWaalsContact C-N 3.3Å; E590-Y592 PolarHBondContact O-N 2.96Å; E590-E593 PolarHBondContact O-N 2.89Å; E590-E593 VanDerWaalsContact O-N 3.14Å; E590-I594 HydrophobicContact CG-CD1 4.1Å; E590-I594 WeakPolarHBondContact O-CG1 3.32Å; E590-I594 PolarHBondContact O-N 3.5Å; E590-S1162 VanDerWaalsContact OE1-CB 3.29Å; E590-S1162 WeakPolarHBondContact OE1-CB 3.35Å |
| 591 | N | 91.1 | Very high | 89.6 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 47% | 0.465 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 175.9 | -73.5 | -28.5 | 0 | 0 | 0 | 112.6 | K587 L595 | K587-N591 WeakPolarHBondContact O-CB 3.49Å; K587-N591 VanDerWaalsContact O-CG 3.26Å; K587-N591 PolarHBondContact O-N 3.07Å; K587-N591 PolarHBondContact O-ND2 3.03Å; N591-L595 WeakPolarHBondContact O-CB 3.21Å; N591-L595 VanDerWaalsContact O-CG 3.3Å; N591-L595 WeakPolarHBondContact O-CG 3.47Å; N591-L595 PolarHBondContact O-N 3.41Å |
| 592 | Y | 89.6 | Confident | 89.1 | Confident | 137 Ų | 137 | 93.5 Ų | 93.5 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.3 | 177.8 | -99.7 | 0 | 0 | 0 | 112.7 | I588 K589 E590 L595 L596 | I588-Y592 WeakPolarHBondContact O-CB 3.4Å; I588-Y592 PolarHBondContact O-N 3.22Å; K589-Y592 PolarHBondContact O-N 2.89Å; E590-Y592 VanDerWaalsContact C-N 3.3Å; E590-Y592 PolarHBondContact O-N 2.96Å; Y592-L595 CarbonylContact O-C 3.5Å; Y592-L595 PolarHBondContact O-N 3.44Å; Y592-L596 HydrophobicContact CD1-CD1 3.93Å; Y592-L596 HydrophobicContact CE1-CD1 3.4Å; Y592-L596 VanDerWaalsContact CE1-CD1 3.4Å; Y592-L596 HydrophobicContact CE1-CG 4.24Å; Y592-L596 PolarHBondContact O-N 2.91Å |
| 593 | E | 89.6 | Confident | 88.9 | Confident | 54 Ų | 54 | 94.6 Ų | 94.6 | 25% | 0.252 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.9 | -36.9 | 176.7 | -71.8 | 175.8 | -160 | 0 | 0 | 112.2 | K589 E590 L596 C597 Q1165 | K589-E593 WeakPolarHBondContact CE-OE1 3.44Å; K589-E593 IonicContact NZ-OE1 2.68Å; K589-E593 PolarHBondContact NZ-OE1 2.82Å; K589-E593 IonicContact NZ-OE2 2.68Å; K589-E593 PolarHBondContact O-N 3.26Å; E590-E593 PolarHBondContact O-N 2.89Å; E590-E593 VanDerWaalsContact O-N 3.14Å; E593-L596 WeakPolarHBondContact O-CB 3.47Å; E593-L596 PolarHBondContact O-N 3.09Å; E593-L596 VanDerWaalsContact O-N 3.1Å; E593-C597 PolarHBondContact O-N 2.86Å; E593-C597 PolarHBondContact O-SG 2.77Å; E593-Q1165 VanDerWaalsContact CB-NE2 3.34Å; E593-Q1165 PolarHBondContact OE2-NE2 3.23Å |
| 594 | I | 91.1 | Very high | 88.5 | Confident | 76 Ų | 76 | 92.8 Ų | 92.8 | 39% | 0.39 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 170 | -67 | 166.5 | 0 | 0 | 0 | 110.3 | E590 L596 C597 E598 | E590-I594 HydrophobicContact CG-CD1 4.1Å; E590-I594 WeakPolarHBondContact O-CG1 3.32Å; E590-I594 PolarHBondContact O-N 3.5Å; I594-L596 PolarHBondContact O-N 3.36Å; I594-C597 PolarHBondContact O-N 2.74Å; I594-E598 WeakPolarHBondContact O-CB 3.35Å; I594-E598 PolarHBondContact O-N 2.9Å |
| 595 | L | 89 | Confident | 87.9 | Confident | 103 Ų | 103 | 92.3 Ų | 92.3 | 54% | 0.539 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.9 | -10.1 | 175.2 | -72.1 | 168.8 | 0 | 0 | 0 | 114.5 | N591 Y592 R599 | N591-L595 WeakPolarHBondContact O-CB 3.21Å; N591-L595 VanDerWaalsContact O-CG 3.3Å; N591-L595 WeakPolarHBondContact O-CG 3.47Å; N591-L595 PolarHBondContact O-N 3.41Å; Y592-L595 CarbonylContact O-C 3.5Å; Y592-L595 PolarHBondContact O-N 3.44Å; L595-R599 WeakPolarHBondContact O-CB 3.36Å; L595-R599 PolarHBondContact O-NH2 3.14Å; L595-R599 VanDerWaalsContact O-NH2 3.13Å |
| 596 | L | 89.7 | Confident | 88 | Confident | 57 Ų | 57 | 95.5 Ų | 95.5 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -82.5 | -54.2 | 166.2 | -93.2 | 164 | 0 | 0 | 0 | 110.1 | Y592 E593 I594 E598 R599 E600 | Y592-L596 HydrophobicContact CD1-CD1 3.93Å; Y592-L596 HydrophobicContact CE1-CD1 3.4Å; Y592-L596 VanDerWaalsContact CE1-CD1 3.4Å; Y592-L596 HydrophobicContact CE1-CG 4.24Å; Y592-L596 PolarHBondContact O-N 2.91Å; E593-L596 WeakPolarHBondContact O-CB 3.47Å; E593-L596 PolarHBondContact O-N 3.09Å; E593-L596 VanDerWaalsContact O-N 3.1Å; I594-L596 PolarHBondContact O-N 3.36Å; L596-E598 VanDerWaalsContact C-N 3.3Å; L596-E598 PolarHBondContact O-N 2.87Å; L596-R599 WeakPolarHBondContact O-CB 3.26Å; L596-R599 PolarHBondContact O-N 3.5Å; L596-E600 PolarHBondContact O-N 3.24Å |
| 597 | C | 85 | Confident | 87.9 | Confident | 75 Ų | 75 | 96 Ų | 96 | 51% | 0.507 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 179.4 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | E593 I594 E600 R601 | E593-C597 PolarHBondContact O-N 2.86Å; E593-C597 PolarHBondContact O-SG 2.77Å; I594-C597 PolarHBondContact O-N 2.74Å; C597-E600 PolarHBondContact O-N 3.42Å; C597-R601 WeakPolarHBondContact O-CB 3.44Å; C597-R601 PolarHBondContact O-N 3Å |
| 598 | E | 81.6 | Confident | 87.6 | Confident | 90 Ų | 90 | 95.1 Ų | 95.1 | 42% | 0.421 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 179.4 | -175.9 | 151.1 | -119.6 | 0 | 0 | 112.6 | I594 L596 E600 R601 E602 | I594-E598 WeakPolarHBondContact O-CB 3.35Å; I594-E598 PolarHBondContact O-N 2.9Å; L596-E598 VanDerWaalsContact C-N 3.3Å; L596-E598 PolarHBondContact O-N 2.87Å; E598-E600 VanDerWaalsContact C-N 3.35Å; E598-E600 PolarHBondContact O-N 2.97Å; E598-R601 WeakPolarHBondContact O-CB 3.39Å; E598-R601 PolarHBondContact O-N 3.08Å; E598-R601 IonicContact OE1-NH2 3.04Å; E598-R601 PolarHBondContact OE1-NH2 3.02Å; E598-E602 PolarHBondContact O-N 3.42Å |
| 599 | R | 87.3 | Confident | 87.6 | Confident | 128 Ų | 128 | 97.9 Ų | 97.9 | 48% | 0.483 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 174 | -171.3 | -159.6 | -41.3 | 153.7 | 16.1 | 112.2 | L595 L596 Q603 | L595-R599 WeakPolarHBondContact O-CB 3.36Å; L595-R599 PolarHBondContact O-NH2 3.14Å; L595-R599 VanDerWaalsContact O-NH2 3.13Å; L596-R599 WeakPolarHBondContact O-CB 3.26Å; L596-R599 PolarHBondContact O-N 3.5Å; R599-Q603 WeakPolarHBondContact O-CB 3.47Å; R599-Q603 PolarHBondContact O-N 2.87Å |
| 600 | E | 85.9 | Confident | 87.8 | Confident | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.612 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.6 | -41.6 | 174.6 | -71 | -159.1 | 134.4 | 0 | 0 | 111.9 | L596 C597 E598 Q603 T604 | L596-E600 PolarHBondContact O-N 3.24Å; C597-E600 PolarHBondContact O-N 3.42Å; E598-E600 VanDerWaalsContact C-N 3.35Å; E598-E600 PolarHBondContact O-N 2.97Å; E600-Q603 PolarHBondContact O-N 3.18Å; E600-T604 WeakPolarHBondContact O-CG2 3.42Å; E600-T604 PolarHBondContact O-N 3.18Å |
| 601 | R | 84.8 | Confident | 87.8 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -53.1 | -57.8 | 172.4 | -179.9 | -171.1 | 62.2 | 68.8 | 1.8 | 110.3 | C597 E598 Q603 T604 E605 | C597-R601 WeakPolarHBondContact O-CB 3.44Å; C597-R601 PolarHBondContact O-N 3Å; E598-R601 WeakPolarHBondContact O-CB 3.39Å; E598-R601 PolarHBondContact O-N 3.08Å; E598-R601 IonicContact OE1-NH2 3.04Å; E598-R601 PolarHBondContact OE1-NH2 3.02Å; R601-Q603 VanDerWaalsContact C-N 3.31Å; R601-Q603 PolarHBondContact O-N 3.28Å; R601-T604 PolarHBondContact O-N 2.65Å; R601-T604 PolarHBondContact O-OG1 3.45Å; R601-E605 VanDerWaalsContact CG-OE1 3.27Å; R601-E605 WeakPolarHBondContact CG-OE1 3.33Å; R601-E605 IonicContact CZ-OE1 2.82Å; R601-E605 IonicContact NH1-OE1 2.72Å; R601-E605 PolarHBondContact NH1-OE1 2.94Å; R601-E605 IonicContact NH1-OE2 3.24Å; R601-E605 PolarHBondContact NH1-OE2 3.33Å; R601-E605 PolarHBondContact O-N 3.21Å |
| 602 | E | 83.5 | Confident | 87.9 | Confident | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.9 | -44 | 177.6 | -71.8 | -167.8 | 160.8 | 0 | 0 | 112.1 | E598 T604 E605 W606 | E598-E602 PolarHBondContact O-N 3.42Å; E602-T604 VanDerWaalsContact C-N 3.28Å; E602-T604 PolarHBondContact O-N 3.09Å; E602-E605 PolarHBondContact O-N 2.75Å; E602-E605 VanDerWaalsContact O-N 3.13Å; E602-W606 PolarHBondContact O-N 3.26Å |
| 603 | Q | 87.6 | Confident | 88.2 | Confident | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.472 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.3 | -28.7 | 179.3 | -162.1 | -178.5 | 79.4 | 0 | 0 | 112.7 | R599 E600 R601 R607 | R599-Q603 WeakPolarHBondContact O-CB 3.47Å; R599-Q603 PolarHBondContact O-N 2.87Å; E600-Q603 PolarHBondContact O-N 3.18Å; R601-Q603 VanDerWaalsContact C-N 3.31Å; R601-Q603 PolarHBondContact O-N 3.28Å; Q603-R607 WeakPolarHBondContact O-CG 3.42Å; Q603-R607 PolarHBondContact O-N 3.36Å |
| 604 | T | 85 | Confident | 88.4 | Confident | 43 Ų | 43 | 102.8 Ų | 102.8 | 26% | 0.264 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.6 | -37.2 | 170.1 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | E600 R601 E602 R607 L608 R1176 | E600-T604 WeakPolarHBondContact O-CG2 3.42Å; E600-T604 PolarHBondContact O-N 3.18Å; R601-T604 PolarHBondContact O-N 2.65Å; R601-T604 PolarHBondContact O-OG1 3.45Å; E602-T604 VanDerWaalsContact C-N 3.28Å; E602-T604 PolarHBondContact O-N 3.09Å; T604-R607 PolarHBondContact O-N 2.88Å; T604-L608 WeakPolarHBondContact O-CG 3.49Å; T604-L608 PolarHBondContact O-N 3.16Å; T604-L608 VanDerWaalsContact O-N 3.08Å; T604-R1176 PolarHBondContact OG1-NH1 3.1Å |
| 605 | E | 81.5 | Confident | 88.6 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 35% | 0.346 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.6 | -72.2 | 167.6 | -163.9 | 0 | 0 | 111.3 | R601 E602 R607 L608 Y609 | R601-E605 VanDerWaalsContact CG-OE1 3.27Å; R601-E605 WeakPolarHBondContact CG-OE1 3.33Å; R601-E605 IonicContact CZ-OE1 2.82Å; R601-E605 IonicContact NH1-OE1 2.72Å; R601-E605 PolarHBondContact NH1-OE1 2.94Å; R601-E605 IonicContact NH1-OE2 3.24Å; R601-E605 PolarHBondContact NH1-OE2 3.33Å; R601-E605 PolarHBondContact O-N 3.21Å; E602-E605 PolarHBondContact O-N 2.75Å; E602-E605 VanDerWaalsContact O-N 3.13Å; E605-R607 VanDerWaalsContact C-N 3.34Å; E605-R607 PolarHBondContact O-N 3.18Å; E605-L608 WeakPolarHBondContact O-CA 3.31Å; E605-L608 WeakPolarHBondContact O-CB 3.37Å; E605-L608 PolarHBondContact O-N 2.77Å; E605-Y609 HydrophobicContact CB-CE2 4.5Å; E605-Y609 WeakPolarHBondContact O-CD2 3.37Å; E605-Y609 PolarHBondContact O-N 2.75Å |
| 606 | W | 90.7 | Very high | 88.6 | Confident | 178 Ų | 178 | 101 Ų | 101 | 67% | 0.674 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59 | -39.6 | 175.8 | -78.5 | 112.3 | 0 | 0 | 0 | 113.2 | E602 L608 Y609 E610 | E602-W606 PolarHBondContact O-N 3.26Å; W606-L608 VanDerWaalsContact C-N 3.34Å; W606-Y609 PolarHBondContact O-N 3.39Å; W606-E610 WeakPolarHBondContact O-CB 3.39Å; W606-E610 PolarHBondContact O-N 3.19Å |
| 607 | R | 86.8 | Confident | 88.9 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 50% | 0.502 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 173.1 | -72.8 | 179.1 | -172.4 | 114.5 | -1.9 | 112.8 | Q603 T604 E605 R611 | Q603-R607 WeakPolarHBondContact O-CG 3.42Å; Q603-R607 PolarHBondContact O-N 3.36Å; T604-R607 PolarHBondContact O-N 2.88Å; E605-R607 VanDerWaalsContact C-N 3.34Å; E605-R607 PolarHBondContact O-N 3.18Å; R607-R611 WeakPolarHBondContact O-CB 3.46Å; R607-R611 PolarHBondContact O-N 3.15Å; R607-R611 VanDerWaalsContact O-N 3.08Å |
| 608 | L | 86 | Confident | 89.3 | Confident | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | 174.7 | -71.8 | 167.6 | 0 | 0 | 0 | 111.1 | T604 E605 W606 R611 D612 | T604-L608 WeakPolarHBondContact O-CG 3.49Å; T604-L608 PolarHBondContact O-N 3.16Å; T604-L608 VanDerWaalsContact O-N 3.08Å; E605-L608 WeakPolarHBondContact O-CA 3.31Å; E605-L608 WeakPolarHBondContact O-CB 3.37Å; E605-L608 PolarHBondContact O-N 2.77Å; W606-L608 VanDerWaalsContact C-N 3.34Å; L608-R611 PolarHBondContact O-N 3.05Å; L608-D612 WeakPolarHBondContact O-CB 3.47Å; L608-D612 PolarHBondContact O-N 3.4Å |
| 609 | Y | 93.4 | Very high | 90 | Very high | 165 Ų | 165 | 103.2 Ų | 103.2 | 65% | 0.647 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.2 | -45.2 | 173 | -79.2 | -64.9 | 0 | 0 | 0 | 112.3 | E605 W606 D612 L613 | E605-Y609 HydrophobicContact CB-CE2 4.5Å; E605-Y609 WeakPolarHBondContact O-CD2 3.37Å; E605-Y609 PolarHBondContact O-N 2.75Å; W606-Y609 PolarHBondContact O-N 3.39Å; Y609-D612 PolarHBondContact O-N 2.82Å; Y609-L613 WeakPolarHBondContact O-CB 3.44Å; Y609-L613 PolarHBondContact O-N 2.99Å |
| 610 | E | 95.5 | Very high | 90.2 | Very high | 122 Ų | 122 | 99.9 Ų | 99.9 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.7 | -50.7 | 174.9 | -179.6 | -178.2 | -160.4 | 0 | 0 | 111.5 | W606 D612 L613 L614 | W606-E610 WeakPolarHBondContact O-CB 3.39Å; W606-E610 PolarHBondContact O-N 3.19Å; E610-D612 VanDerWaalsContact C-N 3.34Å; E610-D612 PolarHBondContact O-N 3.49Å; E610-L613 PolarHBondContact O-N 2.94Å; E610-L614 HydrophobicContact CG-CD1 4.27Å; E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 2.95Å |
| 611 | R | 88.9 | Confident | 90.4 | Very high | 117 Ų | 117 | 97.4 Ų | 97.4 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 179 | -175.9 | -160.1 | 70.8 | -170.8 | -5.6 | 112.3 | R607 L608 L614 K615 | R607-R611 WeakPolarHBondContact O-CB 3.46Å; R607-R611 PolarHBondContact O-N 3.15Å; R607-R611 VanDerWaalsContact O-N 3.08Å; L608-R611 PolarHBondContact O-N 3.05Å; R611-L614 PolarHBondContact O-N 2.88Å; R611-K615 WeakPolarHBondContact O-CG 3.44Å; R611-K615 PolarHBondContact O-N 3.14Å; R611-K615 VanDerWaalsContact O-N 3.14Å |
| 612 | D | 92.6 | Very high | 90.9 | Very high | 64 Ų | 64 | 97.2 Ų | 97.2 | 34% | 0.342 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -83.5 | -25.2 | -174.4 | -66.5 | -17.6 | 0 | 0 | 0 | 112.4 | L608 Y609 E610 K615 A616 | L608-D612 WeakPolarHBondContact O-CB 3.47Å; L608-D612 PolarHBondContact O-N 3.4Å; Y609-D612 PolarHBondContact O-N 2.82Å; E610-D612 VanDerWaalsContact C-N 3.34Å; E610-D612 PolarHBondContact O-N 3.49Å; D612-K615 PolarHBondContact O-N 2.94Å; D612-K615 WeakPolarHBondContact OD1-CD 3.47Å; D612-K615 VanDerWaalsContact OD1-CE 3.3Å; D612-K615 WeakPolarHBondContact OD1-CE 3.49Å; D612-K615 IonicContact OD1-NZ 3.5Å; D612-K615 PolarHBondContact OD1-NZ 3.4Å; D612-A616 PolarHBondContact O-N 3.28Å |
| 613 | L | 96.6 | Very high | 91.4 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 163.3 | 179 | 62.6 | 0 | 0 | 0 | 111.5 | Y609 E610 K615 A616 V617 | Y609-L613 WeakPolarHBondContact O-CB 3.44Å; Y609-L613 PolarHBondContact O-N 2.99Å; E610-L613 PolarHBondContact O-N 2.94Å; L613-K615 VanDerWaalsContact C-N 3.32Å; L613-K615 PolarHBondContact O-N 3.5Å; L613-A616 WeakPolarHBondContact O-CB 3.48Å; L613-A616 PolarHBondContact O-N 2.88Å; L613-A616 VanDerWaalsContact O-N 3.13Å; L613-V617 WeakPolarHBondContact O-CG2 3.42Å; L613-V617 PolarHBondContact O-N 2.94Å |
| 614 | L | 95.1 | Very high | 91.8 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 59% | 0.586 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 176.1 | -74.1 | 168.8 | 0 | 0 | 0 | 112.2 | E610 R611 V617 Q618 | E610-L614 HydrophobicContact CG-CD1 4.27Å; E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 2.95Å; R611-L614 PolarHBondContact O-N 2.88Å; L614-V617 PolarHBondContact O-N 2.96Å; L614-Q618 PolarHBondContact O-N 3.34Å |
| 615 | K | 93.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 37% | 0.365 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 171.3 | -69 | 173.7 | -169.1 | 162.5 | 0 | 112.3 | R611 D612 L613 V617 Q618 V619 | R611-K615 WeakPolarHBondContact O-CG 3.44Å; R611-K615 PolarHBondContact O-N 3.14Å; R611-K615 VanDerWaalsContact O-N 3.14Å; D612-K615 PolarHBondContact O-N 2.94Å; D612-K615 WeakPolarHBondContact OD1-CD 3.47Å; D612-K615 VanDerWaalsContact OD1-CE 3.3Å; D612-K615 WeakPolarHBondContact OD1-CE 3.49Å; D612-K615 IonicContact OD1-NZ 3.5Å; D612-K615 PolarHBondContact OD1-NZ 3.4Å; L613-K615 VanDerWaalsContact C-N 3.32Å; L613-K615 PolarHBondContact O-N 3.5Å; K615-V617 VanDerWaalsContact C-N 3.3Å; K615-V617 PolarHBondContact O-N 2.96Å; K615-Q618 PolarHBondContact O-N 2.89Å; K615-V619 WeakPolarHBondContact O-CG2 3.43Å; K615-V619 PolarHBondContact O-N 3.18Å |
| 616 | A | 90.5 | Very high | 92.8 | Very high | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D612 L613 A620 | D612-A616 PolarHBondContact O-N 3.28Å; L613-A616 WeakPolarHBondContact O-CB 3.48Å; L613-A616 PolarHBondContact O-N 2.88Å; L613-A616 VanDerWaalsContact O-N 3.13Å; A616-A620 VanDerWaalsContact O-CB 3.31Å; A616-A620 WeakPolarHBondContact O-CB 3.42Å; A616-A620 PolarHBondContact O-N 3.07Å |
| 617 | V | 94.4 | Very high | 92.8 | Very high | 79 Ų | 79 | 97 Ų | 97 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 172.3 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L613 L614 K615 V619 A620 D621 | L613-V617 WeakPolarHBondContact O-CG2 3.42Å; L613-V617 PolarHBondContact O-N 2.94Å; L614-V617 PolarHBondContact O-N 2.96Å; K615-V617 VanDerWaalsContact C-N 3.3Å; K615-V617 PolarHBondContact O-N 2.96Å; V617-V619 PolarHBondContact O-N 3.12Å; V617-A620 PolarHBondContact O-N 3.3Å; V617-D621 PolarHBondContact O-N 3.29Å |
| 618 | Q | 94.1 | Very high | 93.2 | Very high | 115 Ų | 115 | 95.5 Ų | 95.5 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 177 | -177.1 | -176.2 | -23.1 | 0 | 0 | 111.7 | L614 K615 A620 D621 E622 | L614-Q618 PolarHBondContact O-N 3.34Å; K615-Q618 PolarHBondContact O-N 2.89Å; Q618-A620 VanDerWaalsContact C-N 3.3Å; Q618-A620 PolarHBondContact O-N 3.05Å; Q618-D621 PolarHBondContact O-N 3.02Å; Q618-E622 WeakPolarHBondContact CG-OE1 3.48Å; Q618-E622 PolarHBondContact NE2-OE1 3.06Å; Q618-E622 WeakPolarHBondContact O-CG 3.4Å; Q618-E622 PolarHBondContact O-N 3.37Å |
| 619 | V | 95.7 | Very high | 93.7 | Very high | 73 Ų | 73 | 98.3 Ų | 98.3 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 178.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | K615 V617 E622 I623 | K615-V619 WeakPolarHBondContact O-CG2 3.43Å; K615-V619 PolarHBondContact O-N 3.18Å; V617-V619 PolarHBondContact O-N 3.12Å; V619-E622 PolarHBondContact O-N 2.88Å; V619-I623 HydrophobicContact CG1-CD1 3.73Å; V619-I623 HydrophobicContact CG1-CG1 4.37Å; V619-I623 WeakPolarHBondContact O-CB 3.46Å; V619-I623 VanDerWaalsContact O-CG1 3.26Å; V619-I623 WeakPolarHBondContact O-CG1 3.48Å; V619-I623 PolarHBondContact O-N 3.45Å |
| 620 | A | 91.5 | Very high | 93.7 | Very high | 58 Ų | 58 | 94.2 Ų | 94.2 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A616 V617 Q618 K624 | A616-A620 VanDerWaalsContact O-CB 3.31Å; A616-A620 WeakPolarHBondContact O-CB 3.42Å; A616-A620 PolarHBondContact O-N 3.07Å; V617-A620 PolarHBondContact O-N 3.3Å; Q618-A620 VanDerWaalsContact C-N 3.3Å; Q618-A620 PolarHBondContact O-N 3.05Å; A620-K624 WeakPolarHBondContact O-CB 3.45Å; A620-K624 PolarHBondContact O-N 3.17Å |
| 621 | D | 91.5 | Very high | 93.5 | Very high | 79 Ų | 79 | 92 Ų | 92 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.6 | -35.6 | 174 | -95.1 | -35.7 | 0 | 0 | 0 | 112.2 | V617 Q618 K624 T625 | V617-D621 PolarHBondContact O-N 3.29Å; Q618-D621 PolarHBondContact O-N 3.02Å; D621-K624 PolarHBondContact O-N 3.41Å; D621-K624 IonicContact OD1-NZ 2.71Å; D621-K624 PolarHBondContact OD1-NZ 3.02Å; D621-T625 WeakPolarHBondContact O-CG2 3.25Å; D621-T625 PolarHBondContact O-N 3.47Å; D621-T625 PolarHBondContact O-OG1 2.9Å |
| 622 | E | 94.6 | Very high | 93.8 | Very high | 99 Ų | 99 | 93.2 Ų | 93.2 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -54.9 | 171.9 | -76.1 | 175.3 | -167.5 | 0 | 0 | 110.9 | Q618 V619 K624 T625 E626 | Q618-E622 WeakPolarHBondContact CG-OE1 3.48Å; Q618-E622 PolarHBondContact NE2-OE1 3.06Å; Q618-E622 WeakPolarHBondContact O-CG 3.4Å; Q618-E622 PolarHBondContact O-N 3.37Å; V619-E622 PolarHBondContact O-N 2.88Å; E622-K624 VanDerWaalsContact C-N 3.28Å; E622-K624 PolarHBondContact O-N 3.09Å; E622-T625 PolarHBondContact O-N 3.07Å; E622-T625 VanDerWaalsContact O-N 3.14Å; E622-T625 PolarHBondContact O-OG1 3.06Å; E622-E626 PolarHBondContact O-N 3.33Å |
| 623 | I | 93.7 | Very high | 93.9 | Very high | 104 Ų | 104 | 95.6 Ų | 95.6 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.2 | -40.2 | 176.4 | -69.5 | 168 | 0 | 0 | 0 | 111.6 | V619 S627 | V619-I623 HydrophobicContact CG1-CD1 3.73Å; V619-I623 HydrophobicContact CG1-CG1 4.37Å; V619-I623 WeakPolarHBondContact O-CB 3.46Å; V619-I623 VanDerWaalsContact O-CG1 3.26Å; V619-I623 WeakPolarHBondContact O-CG1 3.48Å; V619-I623 PolarHBondContact O-N 3.45Å; I623-S627 VanDerWaalsContact O-CB 3.32Å; I623-S627 WeakPolarHBondContact O-CB 3.48Å; I623-S627 PolarHBondContact O-N 3.45Å |
| 624 | K | 96.6 | Very high | 93.7 | Very high | 102 Ų | 102 | 93.4 Ų | 93.4 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 176.8 | 175.3 | -179.5 | 132.7 | -137.9 | 0 | 111.7 | A620 D621 E622 E626 S627 E628 | A620-K624 WeakPolarHBondContact O-CB 3.45Å; A620-K624 PolarHBondContact O-N 3.17Å; D621-K624 PolarHBondContact O-N 3.41Å; D621-K624 IonicContact OD1-NZ 2.71Å; D621-K624 PolarHBondContact OD1-NZ 3.02Å; E622-K624 VanDerWaalsContact C-N 3.28Å; E622-K624 PolarHBondContact O-N 3.09Å; K624-E626 VanDerWaalsContact C-N 3.34Å; K624-E626 PolarHBondContact O-N 2.96Å; K624-S627 PolarHBondContact O-N 2.91Å; K624-E628 WeakPolarHBondContact CE-OE1 3.48Å; K624-E628 WeakPolarHBondContact O-CB 3.39Å; K624-E628 WeakPolarHBondContact O-CG 3.49Å; K624-E628 PolarHBondContact O-N 2.91Å |
| 625 | T | 95.8 | Very high | 93.7 | Very high | 64 Ų | 64 | 93.2 Ų | 93.2 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.5 | -31.8 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | D621 E622 Q629 | D621-T625 WeakPolarHBondContact O-CG2 3.25Å; D621-T625 PolarHBondContact O-N 3.47Å; D621-T625 PolarHBondContact O-OG1 2.9Å; E622-T625 PolarHBondContact O-N 3.07Å; E622-T625 VanDerWaalsContact O-N 3.14Å; E622-T625 PolarHBondContact O-OG1 3.06Å; T625-Q629 WeakPolarHBondContact O-CB 3.28Å; T625-Q629 VanDerWaalsContact O-CG 3.26Å; T625-Q629 WeakPolarHBondContact O-CG 3.49Å; T625-Q629 PolarHBondContact O-N 3.31Å; T625-Q629 PolarHBondContact O-NE2 3.14Å |
| 626 | E | 92.3 | Very high | 93.8 | Very high | 136 Ų | 136 | 92.8 Ų | 92.8 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -44.6 | 170.4 | -174.2 | 173.6 | -145.3 | 0 | 0 | 111.2 | E622 K624 E628 Q629 E630 | E622-E626 PolarHBondContact O-N 3.33Å; K624-E626 VanDerWaalsContact C-N 3.34Å; K624-E626 PolarHBondContact O-N 2.96Å; E626-E628 PolarHBondContact O-N 3Å; E626-Q629 PolarHBondContact O-N 3.47Å; E626-E630 PolarHBondContact O-N 3.48Å |
| 627 | S | 90.4 | Very high | 94 | Very high | 80 Ų | 80 | 94 Ų | 94 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 176.5 | -166.1 | 0 | 0 | 0 | 0 | 112.7 | I623 K624 S631 | I623-S627 VanDerWaalsContact O-CB 3.32Å; I623-S627 WeakPolarHBondContact O-CB 3.48Å; I623-S627 PolarHBondContact O-N 3.45Å; K624-S627 PolarHBondContact O-N 2.91Å; S627-S631 WeakPolarHBondContact O-CB 3.2Å; S627-S631 PolarHBondContact O-N 2.9Å |
| 628 | E | 95.5 | Very high | 93.7 | Very high | 102 Ų | 102 | 93.9 Ų | 93.9 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 173.6 | -74.5 | 175.6 | -168.8 | 0 | 0 | 111.3 | K624 E626 H632 | K624-E628 WeakPolarHBondContact CE-OE1 3.48Å; K624-E628 WeakPolarHBondContact O-CB 3.39Å; K624-E628 WeakPolarHBondContact O-CG 3.49Å; K624-E628 PolarHBondContact O-N 2.91Å; E626-E628 PolarHBondContact O-N 3Å; E628-H632 PolarHBondContact O-CD2 3.34Å; E628-H632 VanDerWaalsContact O-CD2 3.23Å; E628-H632 PolarHBondContact O-N 3.3Å |
| 629 | Q | 95.6 | Very high | 93.7 | Very high | 135 Ų | 135 | 91.1 Ų | 91.1 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.1 | -47 | 176.3 | -77.9 | 173.6 | 67.9 | 0 | 0 | 113.1 | T625 E626 S631 H632 R633 | T625-Q629 WeakPolarHBondContact O-CB 3.28Å; T625-Q629 VanDerWaalsContact O-CG 3.26Å; T625-Q629 WeakPolarHBondContact O-CG 3.49Å; T625-Q629 PolarHBondContact O-N 3.31Å; T625-Q629 PolarHBondContact O-NE2 3.14Å; E626-Q629 PolarHBondContact O-N 3.47Å; Q629-S631 VanDerWaalsContact C-N 3.34Å; Q629-S631 PolarHBondContact O-N 3.1Å; Q629-H632 WeakPolarHBondContact O-CB 3.14Å; Q629-H632 PolarHBondContact O-N 3.46Å; Q629-R633 PolarHBondContact O-N 3.46Å |
| 630 | E | 93.9 | Very high | 93.7 | Very high | 79 Ų | 79 | 90.3 Ų | 90.3 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 178.8 | 179.3 | 56.9 | -165.7 | 0 | 0 | 111.6 | E626 H632 R633 L634 | E626-E630 PolarHBondContact O-N 3.48Å; E630-H632 PolarHBondContact O-N 3.02Å; E630-R633 PolarHBondContact O-N 3.44Å; E630-R633 IonicContact OE1-CZ 3.56Å; E630-R633 IonicContact OE1-NE 3.06Å; E630-R633 PolarHBondContact OE1-NE 2.85Å; E630-R633 IonicContact OE1-NH2 3.58Å; E630-R633 PolarHBondContact OE1-NH2 2.82Å; E630-R633 WeakPolarHBondContact OE2-CD 3.47Å; E630-R633 IonicContact OE2-CZ 3.67Å; E630-R633 IonicContact OE2-NE 2.67Å; E630-R633 PolarHBondContact OE2-NE 3.3Å; E630-R633 IonicContact OE2-NH2 3.31Å; E630-L634 HydrophobicContact CG-CD1 4.04Å; E630-L634 HydrophobicContact CG-CG 4.44Å; E630-L634 WeakPolarHBondContact O-CB 3.35Å; E630-L634 WeakPolarHBondContact O-CG 3.26Å; E630-L634 PolarHBondContact O-N 3.2Å; E630-L634 WeakPolarHBondContact OE1-CG 3.43Å |
| 631 | S | 90.2 | Very high | 93.7 | Very high | 77 Ų | 77 | 91.6 Ų | 91.6 | 54% | 0.538 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 170.2 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | S627 Q629 N635 | S627-S631 WeakPolarHBondContact O-CB 3.2Å; S627-S631 PolarHBondContact O-N 2.9Å; Q629-S631 VanDerWaalsContact C-N 3.34Å; Q629-S631 PolarHBondContact O-N 3.1Å; S631-N635 VanDerWaalsContact O-CB 3.26Å; S631-N635 WeakPolarHBondContact O-CB 3.4Å; S631-N635 PolarHBondContact O-N 3.3Å |
| 632 | H | 95.9 | Very high | 93.8 | Very high | 141 Ų | 141 | 94.4 Ų | 94.4 | 65% | 0.653 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 173.3 | -89.3 | -72 | 0 | 0 | 0 | 112.6 | E628 Q629 E630 N635 S636 | E628-H632 PolarHBondContact O-CD2 3.34Å; E628-H632 VanDerWaalsContact O-CD2 3.23Å; E628-H632 PolarHBondContact O-N 3.3Å; Q629-H632 WeakPolarHBondContact O-CB 3.14Å; Q629-H632 PolarHBondContact O-N 3.46Å; E630-H632 PolarHBondContact O-N 3.02Å; H632-N635 PolarHBondContact O-N 3.18Å; H632-S636 PolarHBondContact O-N 3.14Å |
| 633 | R | 95.9 | Very high | 93.8 | Very high | 114 Ų | 114 | 96.4 Ų | 96.4 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -55.1 | 176.7 | -164.8 | -165.1 | 69.1 | 69.4 | 5.9 | 110.8 | Q629 E630 N635 S636 E637 | Q629-R633 PolarHBondContact O-N 3.46Å; E630-R633 PolarHBondContact O-N 3.44Å; E630-R633 IonicContact OE1-CZ 3.56Å; E630-R633 IonicContact OE1-NE 3.06Å; E630-R633 PolarHBondContact OE1-NE 2.85Å; E630-R633 IonicContact OE1-NH2 3.58Å; E630-R633 PolarHBondContact OE1-NH2 2.82Å; E630-R633 WeakPolarHBondContact OE2-CD 3.47Å; E630-R633 IonicContact OE2-CZ 3.67Å; E630-R633 IonicContact OE2-NE 2.67Å; E630-R633 PolarHBondContact OE2-NE 3.3Å; E630-R633 IonicContact OE2-NH2 3.31Å; R633-N635 VanDerWaalsContact C-N 3.3Å; R633-N635 PolarHBondContact O-N 3.21Å; R633-S636 PolarHBondContact O-N 3Å; R633-S636 VanDerWaalsContact O-N 3.11Å; R633-S636 PolarHBondContact O-OG 2.99Å; R633-E637 IonicContact CZ-OE2 2.66Å; R633-E637 IonicContact NH1-OE2 2.6Å; R633-E637 PolarHBondContact NH1-OE2 3.19Å; R633-E637 IonicContact NH2-OE2 3.94Å; R633-E637 PolarHBondContact O-N 3.47Å |
| 634 | L | 92.3 | Very high | 93.9 | Very high | 71 Ų | 71 | 96.3 Ų | 96.3 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 178.9 | -73.3 | 168.8 | 0 | 0 | 0 | 112.7 | E630 E637 N638 | E630-L634 HydrophobicContact CG-CD1 4.04Å; E630-L634 HydrophobicContact CG-CG 4.44Å; E630-L634 WeakPolarHBondContact O-CB 3.35Å; E630-L634 WeakPolarHBondContact O-CG 3.26Å; E630-L634 PolarHBondContact O-N 3.2Å; E630-L634 WeakPolarHBondContact OE1-CG 3.43Å; L634-E637 PolarHBondContact O-N 2.86Å; L634-N638 WeakPolarHBondContact O-CB 3.2Å; L634-N638 PolarHBondContact O-N 3.49Å; L634-N638 PolarHBondContact O-ND2 3.47Å |
| 635 | N | 94 | Very high | 93.6 | Very high | 107 Ų | 107 | 95.7 Ų | 95.7 | 57% | 0.572 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -35.3 | 177 | -162.2 | 28.8 | 0 | 0 | 0 | 111.9 | S631 H632 R633 A639 | S631-N635 VanDerWaalsContact O-CB 3.26Å; S631-N635 WeakPolarHBondContact O-CB 3.4Å; S631-N635 PolarHBondContact O-N 3.3Å; H632-N635 PolarHBondContact O-N 3.18Å; R633-N635 VanDerWaalsContact C-N 3.3Å; R633-N635 PolarHBondContact O-N 3.21Å; N635-A639 PolarHBondContact O-N 3.23Å |
| 636 | S | 94.7 | Very high | 93.6 | Very high | 76 Ų | 76 | 97.7 Ų | 97.7 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 173 | 77.6 | 0 | 0 | 0 | 0 | 112.8 | H632 R633 A639 S640 | H632-S636 PolarHBondContact O-N 3.14Å; R633-S636 PolarHBondContact O-N 3Å; R633-S636 VanDerWaalsContact O-N 3.11Å; R633-S636 PolarHBondContact O-OG 2.99Å; S636-A639 WeakPolarHBondContact O-CB 3.26Å; S636-A639 PolarHBondContact O-N 2.87Å; S636-S640 PolarHBondContact O-N 2.96Å |
| 637 | E | 95.2 | Very high | 93.7 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 175.1 | -173.8 | 172.9 | -177 | 0 | 0 | 111 | R633 L634 A639 S640 L641 | R633-E637 IonicContact CZ-OE2 2.66Å; R633-E637 IonicContact NH1-OE2 2.6Å; R633-E637 PolarHBondContact NH1-OE2 3.19Å; R633-E637 IonicContact NH2-OE2 3.94Å; R633-E637 PolarHBondContact O-N 3.47Å; L634-E637 PolarHBondContact O-N 2.86Å; E637-A639 VanDerWaalsContact C-N 3.26Å; E637-A639 PolarHBondContact O-N 3.21Å; E637-S640 PolarHBondContact O-N 2.87Å; E637-L641 HydrophobicContact CG-CD1 4.21Å; E637-L641 WeakPolarHBondContact O-CG 3.33Å; E637-L641 PolarHBondContact O-N 2.92Å |
| 638 | N | 87.4 | Confident | 93.8 | Very high | 75 Ų | 75 | 99.5 Ų | 99.5 | 40% | 0.401 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -30.8 | 173 | -86.9 | -85.6 | 0 | 0 | 0 | 113.1 | L634 K642 | L634-N638 WeakPolarHBondContact O-CB 3.2Å; L634-N638 PolarHBondContact O-N 3.49Å; L634-N638 PolarHBondContact O-ND2 3.47Å; N638-K642 WeakPolarHBondContact O-CB 3.24Å; N638-K642 WeakPolarHBondContact O-CD 3.27Å; N638-K642 WeakPolarHBondContact O-CG 3.43Å; N638-K642 PolarHBondContact O-N 3.06Å; N638-K642 VanDerWaalsContact O-N 3.08Å |
| 639 | A | 95.4 | Very high | 93.8 | Very high | 58 Ų | 58 | 98.4 Ų | 98.4 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.3 | -46.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N635 S636 E637 L641 K642 E643 | N635-A639 PolarHBondContact O-N 3.23Å; S636-A639 WeakPolarHBondContact O-CB 3.26Å; S636-A639 PolarHBondContact O-N 2.87Å; E637-A639 VanDerWaalsContact C-N 3.26Å; E637-A639 PolarHBondContact O-N 3.21Å; A639-L641 PolarHBondContact O-N 2.99Å; A639-K642 PolarHBondContact O-N 3.06Å; A639-E643 PolarHBondContact O-N 3.47Å |
| 640 | S | 95.1 | Very high | 93.7 | Very high | 55 Ų | 55 | 97.5 Ų | 97.5 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 174.9 | 175 | 0 | 0 | 0 | 0 | 112.5 | S636 E637 K642 E643 Q644 | S636-S640 PolarHBondContact O-N 2.96Å; E637-S640 PolarHBondContact O-N 2.87Å; S640-K642 VanDerWaalsContact C-N 3.35Å; S640-K642 PolarHBondContact O-N 2.9Å; S640-E643 PolarHBondContact O-N 3.01Å; S640-Q644 WeakPolarHBondContact O-CG 3.44Å; S640-Q644 PolarHBondContact O-N 3.27Å; S640-Q644 PolarHBondContact OG-NE2 2.9Å |
| 641 | L | 92.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 96.4 Ų | 96.4 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 176.9 | -69.7 | 171.8 | 0 | 0 | 0 | 112 | E637 A639 Q644 V645 | E637-L641 HydrophobicContact CG-CD1 4.21Å; E637-L641 WeakPolarHBondContact O-CG 3.33Å; E637-L641 PolarHBondContact O-N 2.92Å; A639-L641 PolarHBondContact O-N 2.99Å; L641-Q644 PolarHBondContact O-N 3.33Å; L641-V645 WeakPolarHBondContact O-CG2 3.39Å; L641-V645 PolarHBondContact O-N 3.49Å |
| 642 | K | 93.7 | Very high | 93.8 | Very high | 137 Ų | 137 | 95.6 Ų | 95.6 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 173.1 | -76.7 | 166.7 | -174.1 | 170.1 | 0 | 112.2 | N638 A639 S640 V645 E646 | N638-K642 WeakPolarHBondContact O-CB 3.24Å; N638-K642 WeakPolarHBondContact O-CD 3.27Å; N638-K642 WeakPolarHBondContact O-CG 3.43Å; N638-K642 PolarHBondContact O-N 3.06Å; N638-K642 VanDerWaalsContact O-N 3.08Å; A639-K642 PolarHBondContact O-N 3.06Å; S640-K642 VanDerWaalsContact C-N 3.35Å; S640-K642 PolarHBondContact O-N 2.9Å; K642-V645 PolarHBondContact O-N 3.4Å; K642-E646 WeakPolarHBondContact O-CB 3.3Å; K642-E646 PolarHBondContact O-N 3.02Å |
| 643 | E | 94.1 | Very high | 93.6 | Very high | 141 Ų | 141 | 93.1 Ų | 93.1 | 66% | 0.659 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 175.9 | -173.5 | 179.3 | -176.4 | 0 | 0 | 111.6 | A639 S640 E646 K647 | A639-E643 PolarHBondContact O-N 3.47Å; S640-E643 PolarHBondContact O-N 3.01Å; E643-E646 PolarHBondContact O-N 3.02Å; E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.4Å |
| 644 | Q | 95 | Very high | 93.6 | Very high | 102 Ų | 102 | 93.6 Ų | 93.6 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.3 | -72 | 177.3 | 67.6 | 0 | 0 | 112.3 | S640 L641 K647 L648 | S640-Q644 WeakPolarHBondContact O-CG 3.44Å; S640-Q644 PolarHBondContact O-N 3.27Å; S640-Q644 PolarHBondContact OG-NE2 2.9Å; L641-Q644 PolarHBondContact O-N 3.33Å; Q644-K647 PolarHBondContact O-N 3.05Å; Q644-L648 WeakPolarHBondContact O-CB 3.4Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 3.17Å |
| 645 | V | 91.7 | Very high | 93.6 | Very high | 90 Ų | 90 | 94.4 Ų | 94.4 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L641 K642 K647 L648 T649 | L641-V645 WeakPolarHBondContact O-CG2 3.39Å; L641-V645 PolarHBondContact O-N 3.49Å; K642-V645 PolarHBondContact O-N 3.4Å; V645-K647 PolarHBondContact O-N 3.13Å; V645-L648 PolarHBondContact O-N 2.97Å; V645-T649 VanDerWaalsContact O-CB 3.31Å; V645-T649 WeakPolarHBondContact O-CB 3.28Å; V645-T649 PolarHBondContact O-N 3.41Å; V645-T649 PolarHBondContact O-OG1 2.81Å |
| 646 | E | 94.4 | Very high | 93.5 | Very high | 106 Ų | 106 | 93.6 Ų | 93.6 | 50% | 0.495 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176 | -167.3 | -172.6 | 152.1 | 0 | 0 | 111.2 | K642 E643 T649 K650 | K642-E646 WeakPolarHBondContact O-CB 3.3Å; K642-E646 PolarHBondContact O-N 3.02Å; E643-E646 PolarHBondContact O-N 3.02Å; E646-T649 PolarHBondContact O-N 3.39Å; E646-K650 WeakPolarHBondContact O-CG 3.24Å; E646-K650 PolarHBondContact O-N 3.35Å; E646-K650 WeakPolarHBondContact OE1-CE 3.4Å; E646-K650 IonicContact OE1-NZ 2.69Å; E646-K650 PolarHBondContact OE1-NZ 2.91Å |
| 647 | K | 95.2 | Very high | 93.3 | Very high | 136 Ų | 136 | 92.7 Ų | 92.7 | 59% | 0.591 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.7 | -51.4 | 175.7 | -174.4 | -168 | 170.7 | -166.4 | 0 | 111.8 | E643 Q644 V645 T649 K650 D651 | E643-K647 WeakPolarHBondContact O-CB 3.48Å; E643-K647 PolarHBondContact O-N 3.4Å; Q644-K647 PolarHBondContact O-N 3.05Å; V645-K647 PolarHBondContact O-N 3.13Å; K647-T649 PolarHBondContact O-N 2.8Å; K647-K650 WeakPolarHBondContact O-CB 3.45Å; K647-K650 PolarHBondContact O-N 3.02Å; K647-K650 VanDerWaalsContact O-N 3.11Å; K647-D651 PolarHBondContact O-N 3.18Å |
| 648 | L | 92.2 | Very high | 93.2 | Very high | 118 Ų | 118 | 92.3 Ų | 92.3 | 62% | 0.618 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.7 | -33.9 | 178.5 | -71.1 | 171.4 | 0 | 0 | 0 | 111.9 | Q644 V645 S652 | Q644-L648 WeakPolarHBondContact O-CB 3.4Å; Q644-L648 WeakPolarHBondContact O-CG 3.42Å; Q644-L648 PolarHBondContact O-N 3.17Å; V645-L648 PolarHBondContact O-N 2.97Å; L648-S652 VanDerWaalsContact O-CB 3.26Å; L648-S652 WeakPolarHBondContact O-CB 3.44Å; L648-S652 PolarHBondContact O-N 3.06Å |
| 649 | T | 94.6 | Very high | 93.4 | Very high | 78 Ų | 78 | 92.6 Ų | 92.6 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 173.2 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | V645 E646 K647 S652 T653 | V645-T649 VanDerWaalsContact O-CB 3.31Å; V645-T649 WeakPolarHBondContact O-CB 3.28Å; V645-T649 PolarHBondContact O-N 3.41Å; V645-T649 PolarHBondContact O-OG1 2.81Å; E646-T649 PolarHBondContact O-N 3.39Å; K647-T649 PolarHBondContact O-N 2.8Å; T649-S652 PolarHBondContact O-N 2.87Å; T649-T653 WeakPolarHBondContact O-CG2 3.4Å; T649-T653 PolarHBondContact O-N 2.95Å; T649-T653 PolarHBondContact O-OG1 3.27Å |
| 650 | K | 94.5 | Very high | 93.2 | Very high | 117 Ų | 117 | 93.3 Ų | 93.3 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 175.4 | -72.2 | 167.3 | -176.9 | 167.3 | 0 | 111.8 | E646 K647 S652 T653 R654 | E646-K650 WeakPolarHBondContact O-CG 3.24Å; E646-K650 PolarHBondContact O-N 3.35Å; E646-K650 WeakPolarHBondContact OE1-CE 3.4Å; E646-K650 IonicContact OE1-NZ 2.69Å; E646-K650 PolarHBondContact OE1-NZ 2.91Å; K647-K650 WeakPolarHBondContact O-CB 3.45Å; K647-K650 PolarHBondContact O-N 3.02Å; K647-K650 VanDerWaalsContact O-N 3.11Å; K650-S652 VanDerWaalsContact C-N 3.31Å; K650-S652 PolarHBondContact O-N 3.25Å; K650-T653 WeakPolarHBondContact CA-OG1 3.31Å; K650-T653 PolarHBondContact O-N 2.92Å; K650-T653 PolarHBondContact O-OG1 3.01Å; K650-R654 PolarHBondContact O-N 3.27Å |
| 651 | D | 93.9 | Very high | 93 | Very high | 56 Ų | 56 | 95.2 Ų | 95.2 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 178 | -78.5 | -44.4 | 0 | 0 | 0 | 111.8 | K647 R654 L655 | K647-D651 PolarHBondContact O-N 3.18Å; D651-R654 PolarHBondContact O-N 3.45Å; D651-R654 IonicContact OD1-NH1 3.05Å; D651-R654 PolarHBondContact OD1-NH1 3.37Å; D651-L655 WeakPolarHBondContact O-CG 3.4Å; D651-L655 PolarHBondContact O-N 3.19Å |
| 652 | S | 91.1 | Very high | 92.9 | Very high | 60 Ų | 60 | 95.9 Ų | 95.9 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | L648 T649 K650 R654 L655 N656 | L648-S652 VanDerWaalsContact O-CB 3.26Å; L648-S652 WeakPolarHBondContact O-CB 3.44Å; L648-S652 PolarHBondContact O-N 3.06Å; T649-S652 PolarHBondContact O-N 2.87Å; K650-S652 VanDerWaalsContact C-N 3.31Å; K650-S652 PolarHBondContact O-N 3.25Å; S652-R654 VanDerWaalsContact C-N 3.3Å; S652-R654 PolarHBondContact O-N 3.48Å; S652-L655 PolarHBondContact O-N 3.41Å; S652-N656 WeakPolarHBondContact O-CB 3.44Å; S652-N656 PolarHBondContact O-N 3.37Å; S652-N656 PolarHBondContact O-ND2 2.83Å; S652-N656 PolarHBondContact OG-ND2 3.41Å |
| 653 | T | 93.4 | Very high | 92.7 | Very high | 88 Ų | 88 | 95.2 Ų | 95.2 | 54% | 0.54 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 175.9 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | T649 K650 N656 S657 | T649-T653 WeakPolarHBondContact O-CG2 3.4Å; T649-T653 PolarHBondContact O-N 2.95Å; T649-T653 PolarHBondContact O-OG1 3.27Å; K650-T653 WeakPolarHBondContact CA-OG1 3.31Å; K650-T653 PolarHBondContact O-N 2.92Å; K650-T653 PolarHBondContact O-OG1 3.01Å; T653-N656 PolarHBondContact O-N 3.03Å; T653-S657 PolarHBondContact O-N 3.12Å |
| 654 | R | 94.4 | Very high | 92.3 | Very high | 124 Ų | 124 | 92.9 Ų | 92.9 | 47% | 0.468 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -50.9 | 176 | -155.8 | -169.3 | 77.9 | -123.4 | -2.9 | 110.9 | K650 D651 S652 N656 S657 E658 | K650-R654 PolarHBondContact O-N 3.27Å; D651-R654 PolarHBondContact O-N 3.45Å; D651-R654 IonicContact OD1-NH1 3.05Å; D651-R654 PolarHBondContact OD1-NH1 3.37Å; S652-R654 VanDerWaalsContact C-N 3.3Å; S652-R654 PolarHBondContact O-N 3.48Å; R654-N656 VanDerWaalsContact C-N 3.31Å; R654-N656 PolarHBondContact O-N 3.02Å; R654-S657 WeakPolarHBondContact O-CA 3.45Å; R654-S657 WeakPolarHBondContact O-CB 3.45Å; R654-S657 PolarHBondContact O-N 3.18Å; R654-S657 PolarHBondContact O-OG 3.41Å; R654-E658 IonicContact CZ-OE1 3.48Å; R654-E658 IonicContact NE-OE1 2.74Å; R654-E658 PolarHBondContact NE-OE1 2.96Å; R654-E658 IonicContact NH2-OE1 3.32Å; R654-E658 PolarHBondContact NH2-OE1 2.96Å; R654-E658 WeakPolarHBondContact O-CG 3.49Å; R654-E658 PolarHBondContact O-N 3.04Å |
| 655 | L | 93.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 46% | 0.461 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.7 | -39.5 | 176.3 | -72.1 | 168.2 | 0 | 0 | 0 | 112.4 | D651 S652 S657 E658 I659 | D651-L655 WeakPolarHBondContact O-CG 3.4Å; D651-L655 PolarHBondContact O-N 3.19Å; S652-L655 PolarHBondContact O-N 3.41Å; L655-S657 VanDerWaalsContact C-N 3.32Å; L655-S657 PolarHBondContact O-N 3.13Å; L655-E658 PolarHBondContact O-N 3.49Å; L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 WeakPolarHBondContact O-CD1 3.39Å; L655-I659 VanDerWaalsContact O-CG1 3.24Å; L655-I659 WeakPolarHBondContact O-CG1 3.43Å; L655-I659 PolarHBondContact O-N 2.96Å |
| 656 | N | 90.6 | Very high | 91.8 | Very high | 90 Ų | 90 | 94.4 Ų | 94.4 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -35.1 | 174.5 | -77.6 | -60 | 0 | 0 | 0 | 112.7 | S652 T653 R654 T660 | S652-N656 WeakPolarHBondContact O-CB 3.44Å; S652-N656 PolarHBondContact O-N 3.37Å; S652-N656 PolarHBondContact O-ND2 2.83Å; S652-N656 PolarHBondContact OG-ND2 3.41Å; T653-N656 PolarHBondContact O-N 3.03Å; R654-N656 VanDerWaalsContact C-N 3.31Å; R654-N656 PolarHBondContact O-N 3.02Å; N656-T660 PolarHBondContact O-N 2.72Å; N656-T660 PolarHBondContact O-OG1 2.96Å |
| 657 | S | 91.8 | Very high | 91.1 | Very high | 57 Ų | 57 | 94.1 Ų | 94.1 | 40% | 0.399 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70 | -41 | 173.2 | 76.6 | 0 | 0 | 0 | 0 | 112.3 | T653 R654 L655 I659 T660 I661 | T653-S657 PolarHBondContact O-N 3.12Å; R654-S657 WeakPolarHBondContact O-CA 3.45Å; R654-S657 WeakPolarHBondContact O-CB 3.45Å; R654-S657 PolarHBondContact O-N 3.18Å; R654-S657 PolarHBondContact O-OG 3.41Å; L655-S657 VanDerWaalsContact C-N 3.32Å; L655-S657 PolarHBondContact O-N 3.13Å; S657-I659 PolarHBondContact O-N 2.72Å; S657-T660 WeakPolarHBondContact O-CB 3.2Å; S657-T660 PolarHBondContact O-N 2.7Å; S657-T660 VanDerWaalsContact O-N 3.17Å; S657-I661 WeakPolarHBondContact O-CG1 3.48Å; S657-I661 PolarHBondContact O-N 3.24Å |
| 658 | E | 93.5 | Very high | 90.3 | Very high | 76 Ų | 76 | 90.6 Ų | 90.6 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 174.7 | -67.9 | 169.2 | -148.9 | 0 | 0 | 111 | R654 L655 T660 I661 L662 | R654-E658 IonicContact CZ-OE1 3.48Å; R654-E658 IonicContact NE-OE1 2.74Å; R654-E658 PolarHBondContact NE-OE1 2.96Å; R654-E658 IonicContact NH2-OE1 3.32Å; R654-E658 PolarHBondContact NH2-OE1 2.96Å; R654-E658 WeakPolarHBondContact O-CG 3.49Å; R654-E658 PolarHBondContact O-N 3.04Å; L655-E658 PolarHBondContact O-N 3.49Å; E658-T660 VanDerWaalsContact C-N 3.31Å; E658-T660 PolarHBondContact O-N 3.25Å; E658-I661 PolarHBondContact O-N 2.71Å; E658-L662 WeakPolarHBondContact O-CG 3.45Å; E658-L662 PolarHBondContact O-N 3.41Å |
| 659 | I | 91.7 | Very high | 89.3 | Confident | 81 Ų | 81 | 90.4 Ų | 90.4 | 42% | 0.415 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 174.2 | -71.4 | 164.8 | 0 | 0 | 0 | 111.6 | L655 S657 L662 K663 | L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 WeakPolarHBondContact O-CD1 3.39Å; L655-I659 VanDerWaalsContact O-CG1 3.24Å; L655-I659 WeakPolarHBondContact O-CG1 3.43Å; L655-I659 PolarHBondContact O-N 2.96Å; S657-I659 PolarHBondContact O-N 2.72Å; I659-L662 PolarHBondContact O-N 2.91Å; I659-K663 HydrophobicContact CG2-CD 4.27Å; I659-K663 WeakPolarHBondContact O-CG 3.32Å; I659-K663 PolarHBondContact O-N 2.87Å |
| 660 | T | 90.1 | Very high | 88 | Confident | 73 Ų | 73 | 90 Ų | 90 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | N656 S657 E658 L662 K663 D664 | N656-T660 PolarHBondContact O-N 2.72Å; N656-T660 PolarHBondContact O-OG1 2.96Å; S657-T660 WeakPolarHBondContact O-CB 3.2Å; S657-T660 PolarHBondContact O-N 2.7Å; S657-T660 VanDerWaalsContact O-N 3.17Å; E658-T660 VanDerWaalsContact C-N 3.31Å; E658-T660 PolarHBondContact O-N 3.25Å; T660-L662 VanDerWaalsContact C-N 3.25Å; T660-L662 PolarHBondContact O-N 3.35Å; T660-K663 WeakPolarHBondContact O-CB 3.31Å; T660-K663 PolarHBondContact O-N 3.33Å; T660-K663 VanDerWaalsContact O-N 3.09Å; T660-D664 PolarHBondContact O-N 3.39Å |
| 661 | I | 91.2 | Very high | 86.2 | Confident | 95 Ų | 95 | 88.5 Ų | 88.5 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | 176.2 | -66.2 | 163.8 | 0 | 0 | 0 | 111.5 | S657 E658 K665 | S657-I661 WeakPolarHBondContact O-CG1 3.48Å; S657-I661 PolarHBondContact O-N 3.24Å; E658-I661 PolarHBondContact O-N 2.71Å; I661-K665 HydrophobicContact CG2-CD 4.4Å; I661-K665 WeakPolarHBondContact O-CB 3.32Å; I661-K665 WeakPolarHBondContact O-CG 3.28Å; I661-K665 PolarHBondContact O-N 2.89Å |
| 662 | L | 89.9 | Confident | 84.4 | Confident | 101 Ų | 101 | 96 Ų | 96 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 175.3 | -72.4 | 170.2 | 0 | 0 | 0 | 112.4 | E658 I659 T660 K665 I666 | E658-L662 WeakPolarHBondContact O-CG 3.45Å; E658-L662 PolarHBondContact O-N 3.41Å; I659-L662 PolarHBondContact O-N 2.91Å; T660-L662 VanDerWaalsContact C-N 3.25Å; T660-L662 PolarHBondContact O-N 3.35Å; L662-K665 PolarHBondContact O-N 3.13Å; L662-I666 VanDerWaalsContact O-CG1 3.27Å; L662-I666 WeakPolarHBondContact O-CG1 3.27Å; L662-I666 PolarHBondContact O-N 2.93Å |
| 663 | K | 89.3 | Confident | 82.5 | Confident | 123 Ų | 123 | 99.5 Ų | 99.5 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 172.6 | -74.8 | 171.6 | 178.7 | 177.9 | 0 | 111.7 | I659 T660 K665 I666 N667 | I659-K663 HydrophobicContact CG2-CD 4.27Å; I659-K663 WeakPolarHBondContact O-CG 3.32Å; I659-K663 PolarHBondContact O-N 2.87Å; T660-K663 WeakPolarHBondContact O-CB 3.31Å; T660-K663 PolarHBondContact O-N 3.33Å; T660-K663 VanDerWaalsContact O-N 3.09Å; K663-K665 VanDerWaalsContact C-N 3.34Å; K663-K665 PolarHBondContact O-N 2.91Å; K663-I666 PolarHBondContact O-N 3.19Å; K663-N667 PolarHBondContact O-N 3.47Å; K663-N667 PolarHBondContact O-ND2 3.44Å |
| 664 | D | 87.2 | Confident | 80.4 | Confident | 92 Ų | 92 | 102.2 Ų | 102.2 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 178.8 | -66.4 | -27.1 | 0 | 0 | 0 | 112 | T660 N667 S668 | T660-D664 PolarHBondContact O-N 3.39Å; D664-N667 PolarHBondContact O-N 2.92Å; D664-S668 WeakPolarHBondContact O-CB 3.34Å; D664-S668 PolarHBondContact O-N 3.19Å; D664-S668 PolarHBondContact O-OG 3.49Å |
| 665 | K | 89.2 | Confident | 77.7 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 53% | 0.53 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 170.2 | -78.5 | 176.4 | 178.7 | -180 | 0 | 112 | I661 L662 K663 N667 S668 L669 | I661-K665 HydrophobicContact CG2-CD 4.4Å; I661-K665 WeakPolarHBondContact O-CB 3.32Å; I661-K665 WeakPolarHBondContact O-CG 3.28Å; I661-K665 PolarHBondContact O-N 2.89Å; L662-K665 PolarHBondContact O-N 3.13Å; K663-K665 VanDerWaalsContact C-N 3.34Å; K663-K665 PolarHBondContact O-N 2.91Å; K665-N667 PolarHBondContact O-N 3.49Å; K665-S668 WeakPolarHBondContact CA-OG 3.46Å; K665-S668 PolarHBondContact O-N 3.46Å; K665-S668 PolarHBondContact O-OG 3.18Å; K665-L669 WeakPolarHBondContact O-CG 3.42Å; K665-L669 PolarHBondContact O-N 3.27Å |
| 666 | I | 86.3 | Confident | 75 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 52% | 0.523 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.3 | -49 | 175.9 | -70.7 | 162.8 | 0 | 0 | 0 | 110.3 | L662 K663 S668 L669 S670 | L662-I666 VanDerWaalsContact O-CG1 3.27Å; L662-I666 WeakPolarHBondContact O-CG1 3.27Å; L662-I666 PolarHBondContact O-N 2.93Å; K663-I666 PolarHBondContact O-N 3.19Å; I666-S668 VanDerWaalsContact C-N 3.29Å; I666-S668 PolarHBondContact O-N 3.3Å; I666-L669 PolarHBondContact O-N 2.93Å; I666-S670 PolarHBondContact O-N 2.74Å; I666-S670 PolarHBondContact O-OG 3.39Å |
| 667 | N | 80 | Confident | 72.5 | Confident | 99 Ų | 99 | 107.9 Ų | 107.9 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -56.9 | -41 | 176.6 | -65.9 | -25.9 | 0 | 0 | 0 | 112.1 | K663 D664 K665 L669 S670 S671 | K663-N667 PolarHBondContact O-N 3.47Å; K663-N667 PolarHBondContact O-ND2 3.44Å; D664-N667 PolarHBondContact O-N 2.92Å; K665-N667 PolarHBondContact O-N 3.49Å; N667-L669 VanDerWaalsContact C-N 3.31Å; N667-L669 PolarHBondContact O-N 3.02Å; N667-S670 PolarHBondContact O-N 2.9Å; N667-S671 PolarHBondContact O-N 3.45Å; N667-S671 PolarHBondContact O-OG 3.17Å |
| 668 | S | 77.3 | Confident | 69.8 | Low | 63 Ų | 63 | 113.8 Ų | 113.8 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.4 | -20.9 | 177.2 | 78.2 | 0 | 0 | 0 | 0 | 114.6 | D664 K665 I666 S671 R672 | D664-S668 WeakPolarHBondContact O-CB 3.34Å; D664-S668 PolarHBondContact O-N 3.19Å; D664-S668 PolarHBondContact O-OG 3.49Å; K665-S668 WeakPolarHBondContact CA-OG 3.46Å; K665-S668 PolarHBondContact O-N 3.46Å; K665-S668 PolarHBondContact O-OG 3.18Å; I666-S668 VanDerWaalsContact C-N 3.29Å; I666-S668 PolarHBondContact O-N 3.3Å; S668-S671 PolarHBondContact O-OG 2.94Å; S668-R672 WeakPolarHBondContact O-CB 3.43Å |
| 669 | L | 72.1 | Confident | 67.1 | Low | 113 Ų | 113 | 117.4 Ų | 117.4 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -85.5 | -40.3 | 173.2 | -70.4 | 167.9 | 0 | 0 | 0 | 110.6 | K665 I666 N667 R672 N673 | K665-L669 WeakPolarHBondContact O-CG 3.42Å; K665-L669 PolarHBondContact O-N 3.27Å; I666-L669 PolarHBondContact O-N 2.93Å; N667-L669 VanDerWaalsContact C-N 3.31Å; N667-L669 PolarHBondContact O-N 3.02Å; L669-R672 PolarHBondContact O-N 3.35Å; L669-N673 PolarHBondContact O-N 3.04Å; L669-N673 VanDerWaalsContact O-N 3.14Å |
| 670 | S | 67 | Low | 64.3 | Low | 69 Ų | 69 | 119.5 Ų | 119.5 | 48% | 0.483 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.9 | -43.8 | 173.7 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | I666 N667 R672 N673 | I666-S670 PolarHBondContact O-N 2.74Å; I666-S670 PolarHBondContact O-OG 3.39Å; N667-S670 PolarHBondContact O-N 2.9Å; S670-R672 PolarHBondContact O-N 2.94Å; S670-N673 PolarHBondContact O-N 3.3Å |
| 671 | S | 57.8 | Low | 61.6 | Low | 87 Ų | 87 | 125.8 Ų | 125.8 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -27.6 | 176 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | N667 S668 | N667-S671 PolarHBondContact O-N 3.45Å; N667-S671 PolarHBondContact O-OG 3.17Å; S668-S671 PolarHBondContact O-OG 2.94Å |
| 672 | R | 55.8 | Low | 58.9 | Low | 212 Ų | 212 | 126.7 Ų | 126.7 | 80% | 0.8 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -11.3 | 178.5 | -169.4 | 166.9 | 176.8 | 167.3 | -2.4 | 113.7 | S668 L669 S670 | S668-R672 WeakPolarHBondContact O-CB 3.43Å; L669-R672 PolarHBondContact O-N 3.35Å; S670-R672 PolarHBondContact O-N 2.94Å |
| 673 | N | 50.6 | Low | 56.3 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -91.9 | -9.1 | 179.7 | -151 | 55.3 | 0 | 0 | 0 | 113.9 | L669 S670 G675 | L669-N673 PolarHBondContact O-N 3.04Å; L669-N673 VanDerWaalsContact O-N 3.14Å; S670-N673 PolarHBondContact O-N 3.3Å; N673-G675 PolarHBondContact O-N 3.42Å |
| 674 | N | 49.3 | Very low | 53.6 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 23 | 178.4 | -68.2 | -1.1 | 0 | 0 | 0 | 113.3 | ||
| 675 | G | 37.1 | Very low | 50.9 | Low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -16 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | N673 | N673-G675 PolarHBondContact O-N 3.42Š|
| 676 | N | 36.8 | Very low | 48.3 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | trans | -130.6 | 87.8 | -172.9 | -76.8 | -10.3 | 0 | 0 | 0 | 111.4 | ||||
| 677 | E | 38.7 | Very low | 45.7 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 94% | 0.944 | 74% | 0.735 | S | S | * | * | trans | -170.9 | 129.2 | 135 | -109.8 | 169.4 | -145.9 | 0 | 0 | 110.3 | ||||
| 678 | H | 34.5 | Very low | 43.4 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -140.4 | 114 | -178.2 | -140.8 | -72.3 | 0 | 0 | 0 | 106.6 | ||||
| 679 | L | 38.1 | Very low | 41.4 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 175.8 | 106.9 | 147 | -97.4 | 165.5 | 0 | 0 | 0 | 112.5 | ||||
| 680 | N | 31.6 | Very low | 39.6 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | 28.4 | 124.3 | 139.3 | -52.6 | -8.5 | 0 | 0 | 0 | 120.5 | ||||
| 681 | F | 34.1 | Very low | 38.2 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | -150.1 | 150.6 | 107.9 | -121.7 | -81.5 | 0 | 0 | 0 | 112.9 | |||||
| 682 | T | 35 | Very low | 37.3 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -112.5 | 165.3 | -172.1 | 46.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 683 | S | 34.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | -178.7 | 163.5 | -8.8 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 684 | G | 33 | Very low | 35.6 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 105 | 148.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 685 | F | 31.2 | Very low | 35.3 | Very low | 217 Ų | 217 | 140.6 Ų | 140.6 | 95% | 0.952 | 79% | 0.794 | S | S | * | * | cis | -112.3 | 170.1 | 16.4 | -97.8 | -104.3 | 0 | 0 | 0 | 115 | ||||
| 686 | H | 34.1 | Very low | 35.4 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -121.1 | 161.5 | -179 | -134.5 | -84.1 | 0 | 0 | 0 | 111.1 | ||||
| 687 | L | 31.7 | Very low | 35.9 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -129.9 | 145.6 | 169.3 | -88 | 169.3 | 0 | 0 | 0 | 112.4 | ||||
| 688 | S | 32.3 | Very low | 35.6 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -162.6 | 161.3 | 168.9 | -65.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 689 | S | 34.4 | Very low | 36.1 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | -150.7 | -175.5 | 18.6 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 690 | D | 35.1 | Very low | 36 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 77.4 | 140.2 | 163.9 | -57.9 | 7 | 0 | 0 | 0 | 116.2 | ||||
| 691 | G | 36 | Very low | 36 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 131.5 | 137.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 692 | T | 38.9 | Very low | 35.9 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | cis | -99.2 | -153.3 | 7.6 | 54.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 693 | D | 33.9 | Very low | 35.7 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -154.2 | -159.2 | 6.3 | -138.8 | -53.6 | 0 | 0 | 0 | 113.8 | ||||
| 694 | K | 38.1 | Very low | 35.5 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -143.9 | -179.8 | -162.9 | -75 | 178.6 | -179.6 | 173.7 | 0 | 110.8 | ||||
| 695 | P | 42.8 | Very low | 35.4 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | cis | -127.9 | 166.8 | -0.2 | 22.9 | 0.9 | 0 | 0 | 0 | 117 | ||||
| 696 | N | 38.4 | Very low | 35.2 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -107.1 | 148.9 | 162.1 | 176.3 | 30 | 0 | 0 | 0 | 108.9 | ||||
| 697 | P | 47.6 | Very low | 34.9 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | -152 | 169.6 | 121.8 | 37.9 | -20.3 | 0 | 0 | 0 | 114.3 | |||||
| 698 | N | 33.4 | Very low | 34.8 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | cis | -156.3 | 168.1 | -3.8 | -122.2 | -0.5 | 0 | 0 | 0 | 111.6 | ||||
| 699 | P | 45.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | -119.9 | 164.2 | -174.2 | 42.1 | -32.3 | 0 | 0 | 0 | 117.2 | ||||
| 700 | T | 34.2 | Very low | 34.8 | Very low | 139 Ų | 139 | 125 Ų | 125 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -173.4 | 157.7 | 164.5 | 26.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 701 | S | 31.6 | Very low | 34.6 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -174.5 | 172.5 | -19.9 | 52.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 702 | V | 34 | Very low | 34.3 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | cis | -140.9 | -172.7 | 6.2 | -136.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 703 | S | 29 | Very low | 33.9 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -53.9 | 153.2 | 177.7 | 56.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 704 | S | 30.7 | Very low | 33.7 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | 88.4 | 123.2 | 121.3 | 65.4 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 705 | T | 30.1 | Very low | 33.4 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | 67.5 | 99.4 | 130.2 | 58.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 706 | S | 27 | Very low | 32.8 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | 49.9 | 129.7 | 117 | 65.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 707 | S | 27.9 | Very low | 32.5 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | 59.9 | 114 | 141 | 62.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 708 | N | 30.7 | Very low | 31.7 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | -164.6 | 175.7 | 87.8 | -98.8 | -54.4 | 0 | 0 | 0 | 113.4 | |||||
| 709 | Q | 28.2 | Very low | 31.6 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | -78.7 | 163.1 | -172.1 | -77.8 | -79.4 | -29.1 | 0 | 0 | 114 | ||||
| 710 | P | 37.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -99.8 | 162.9 | -154.6 | 38.5 | -37.7 | 0 | 0 | 0 | 116.2 | ||||
| 711 | I | 32.1 | Very low | 31.2 | Very low | 163 Ų | 163 | 130 Ų | 130 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -135.1 | 124.5 | 166.2 | -62.5 | -177.2 | 0 | 0 | 0 | 111.5 | ||||
| 712 | L | 28.7 | Very low | 31.2 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | 11.8 | 153.5 | 154.9 | -73.4 | 160.6 | 0 | 0 | 0 | 124.6 | ||||
| 713 | S | 30.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 67.4 | 114.7 | 159.3 | 42.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 714 | N | 29.8 | Very low | 31.2 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | 88.2 | 155.5 | 59.4 | -89.8 | -13.6 | 0 | 0 | 0 | 113.8 | |||||
| 715 | I | 31.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 101 | 97.1 | 166.2 | -59.3 | -175.8 | 0 | 0 | 0 | 116.6 | ||||
| 716 | I | 31.2 | Very low | 31 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | 105.1 | 117 | 132.4 | -86.6 | 175.4 | 0 | 0 | 0 | 122.6 | ||||
| 717 | Q | 32.4 | Very low | 31.1 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | 71.3 | 120.6 | 143.7 | -72.7 | 173.6 | 11.3 | 0 | 0 | 123.5 | ||||
| 718 | N | 29.4 | Very low | 31.2 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 66.9 | 142 | 134.2 | -50.9 | -14 | 0 | 0 | 0 | 117.8 | ||||
| 719 | I | 31.7 | Very low | 31.2 | Very low | 160 Ų | 160 | 130 Ų | 130 | 82% | 0.821 | 73% | 0.73 | S | S | * | * | cis | -133 | 143 | 22.7 | -65.2 | 167 | 0 | 0 | 0 | 112.2 | ||||
| 720 | C | 28 | Very low | 31.3 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -134.1 | 169.2 | 153.8 | -91.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 721 | P | 42.8 | Very low | 31 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | cis | -125 | -163.3 | 20.5 | 31.8 | -6.9 | 0 | 0 | 0 | 111.2 | ||||
| 722 | S | 31.9 | Very low | 30.9 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | cis | -152.7 | 131.5 | 26.4 | -72.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 723 | S | 32.1 | Very low | 31 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | 79.9 | 140.6 | 86.3 | -50.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 724 | S | 30.8 | Very low | 31 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | cis | -156.2 | 128.5 | 4.4 | 176.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 725 | A | 28.9 | Very low | 31.1 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 58% | 0.579 | 74% | 0.735 | S | S | * | * | 64.6 | 122.5 | 89.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 726 | Y | 28.1 | Very low | 30.9 | Very low | 217 Ų | 217 | 126.5 Ų | 126.5 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | 74.5 | 153.8 | 77.7 | -69.1 | -42.2 | 0 | 0 | 0 | 113.4 | |||||
| 727 | L | 27.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 131 Ų | 131 | 67% | 0.665 | 75% | 0.75 | S | S | * | * | cis | -156.2 | -155.2 | 0.5 | -123.9 | 166.2 | 0 | 0 | 0 | 111.7 | ||||
| 728 | T | 30.3 | Very low | 30.5 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 55% | 0.546 | 76% | 0.762 | S | S | . | * | trans | -113.6 | -178.5 | -169.6 | 51.5 | 0 | 0 | 0 | 0 | 115.8 | K95 K96 | K95-T728 CarbonylContact C-O 3.5Å; K95-T728 VanDerWaalsContact C-O 3.27Å; K95-T728 PolarHBondContact N-O 3Å; K96-T728 PolarHBondContact N-O 3.26Å | ||
| 729 | T | 31.1 | Very low | 30.4 | Very low | 67 Ų | 67 | 130 Ų | 130 | 41% | 0.411 | 76% | 0.76 | S | S | . | * | trans | 130.9 | 119.4 | 135.2 | 70.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 730 | N | 31.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 59.5 | 130.4 | 124.8 | -61.3 | 12.1 | 0 | 0 | 0 | 126.9 | |||||
| 731 | T | 29.2 | Very low | 31 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 60.3 | 177.9 | 137.2 | 57.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 732 | T | 29.8 | Very low | 30.4 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -116.4 | 154.3 | -139.1 | 42.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 733 | T | 31.5 | Very low | 30.3 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | 11.6 | 130.5 | 153.7 | 56.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 734 | N | 31.4 | Very low | 30.6 | Very low | 164 Ų | 164 | 131 Ų | 131 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -130.8 | 147.1 | 159.7 | -98.8 | -28.2 | 0 | 0 | 0 | 109.8 | ||||
| 735 | S | 30.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | trans | -171 | 115.6 | 149.2 | -85.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 736 | C | 27.7 | Very low | 30.8 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | trans | -156.1 | 168 | 143.4 | -141.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 737 | R | 25.9 | Very low | 31 | Very low | 232 Ų | 232 | 131.3 Ų | 131.3 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -78.7 | 159.3 | -165.9 | -64.4 | 173.2 | 165.9 | -171.4 | -3.9 | 114.3 | ||||
| 738 | L | 30.2 | Very low | 31 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | -163.7 | 169.7 | 112.6 | -99.7 | 167.8 | 0 | 0 | 0 | 110.7 | |||||
| 739 | A | 28 | Very low | 31.3 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -156.4 | -172.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 740 | P | 39.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -124.4 | 179.6 | -34.6 | 30.3 | -11.4 | 0 | 0 | 0 | 113.1 | ||||
| 741 | G | 31 | Very low | 31.1 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -153.4 | 154.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 742 | T | 30.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -122.4 | 175.5 | -156.8 | 50 | 0 | 0 | 0 | 0 | 116 | ||||
| 743 | L | 31 | Very low | 31.1 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | 84.1 | 137.2 | 177.8 | -58.9 | 159 | 0 | 0 | 0 | 114.5 | ||||
| 744 | T | 37 | Very low | 31 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | cis | -128.9 | 175.7 | 7 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 745 | D | 28.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -68.8 | 152 | -171 | -55.8 | -93.9 | 0 | 0 | 0 | 117.9 | ||||
| 746 | N | 34.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | -154.4 | 150.4 | 123 | -106.1 | -44.5 | 0 | 0 | 0 | 110.3 | |||||
| 747 | S | 32.5 | Very low | 31.5 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -119 | 165.9 | -162.4 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 748 | Y | 29.2 | Very low | 31.5 | Very low | 210 Ų | 210 | 140.3 Ų | 140.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 68.1 | 130.7 | -176.9 | -56.6 | -95.2 | 0 | 0 | 0 | 114.6 | ||||
| 749 | T | 35 | Very low | 31.5 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | cis | -162.2 | 161.6 | -3.5 | 9.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 750 | G | 30.2 | Very low | 31.6 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | 144.6 | 120.2 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 751 | R | 29.8 | Very low | 31.2 | Very low | 243 Ų | 243 | 139.5 Ų | 139.5 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | 66.8 | 156 | -178.7 | -82.4 | 179.4 | 176.9 | -179.2 | -1.5 | 115.3 | ||||
| 752 | N | 30.2 | Very low | 31 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | cis | -135.6 | 180 | 14.6 | -114.4 | -18.2 | 0 | 0 | 0 | 112.9 | ||||
| 753 | S | 27.7 | Very low | 30.8 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -141.5 | 173.3 | 173.6 | -164.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 754 | I | 30.1 | Very low | 30.9 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 83.9 | 122 | 159.4 | -68.8 | 166.7 | 0 | 0 | 0 | 119.6 | ||||
| 755 | M | 28.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | trans | 75.9 | 111.6 | 150.6 | -72.4 | -77.3 | 106 | 0 | 0 | 124.4 | ||||
| 756 | H | 26.7 | Very low | 30.5 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | -5.6 | 163.5 | 120 | -81.3 | -93.3 | 0 | 0 | 0 | 119.6 | |||||
| 757 | P | 44.3 | Very low | 30.3 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | cis | -146.6 | -165.2 | -40.8 | 40.9 | -21.1 | 0 | 0 | 0 | 114.5 | ||||
| 758 | F | 27.2 | Very low | 30 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 87.6 | 129.1 | 155.1 | -87.2 | -56.1 | 0 | 0 | 0 | 123.3 | ||||
| 759 | T | 28.3 | Very low | 30 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 67 | 106.4 | 145.3 | -47 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 760 | A | 30.1 | Very low | 29.8 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | 177.7 | 154 | 97 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 761 | H | 32.1 | Very low | 29.8 | Very low | 180 Ų | 180 | 147 Ų | 147 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | 50.9 | 123.1 | 168.3 | -50.7 | -70 | 0 | 0 | 0 | 118.9 | ||||
| 762 | R | 26.5 | Very low | 29.6 | Very low | 224 Ų | 224 | 142.1 Ų | 142.1 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | cis | 95 | 89.9 | 27.5 | -160.7 | -178.3 | -153.8 | -103.9 | 7.4 | 115.6 | ||||
| 763 | S | 26.7 | Very low | 29.5 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | trans | 80.5 | 151.2 | 144.1 | -58.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 764 | T | 33.3 | Very low | 29.4 | Very low | 149 Ų | 149 | 143 Ų | 143 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | trans | 69.1 | 126.4 | 175.9 | 67.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 765 | G | 28 | Very low | 29.4 | Very low | 63 Ų | 63 | 141.9 Ų | 141.9 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | cis | 136.1 | 135.1 | -21.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 766 | F | 29.6 | Very low | 29.5 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | 62.7 | 143.9 | 166.7 | -73.1 | -106.4 | 0 | 0 | 0 | 116.9 | ||||
| 767 | N | 29.4 | Very low | 30.1 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 60% | 0.599 | 76% | 0.763 | S | S | * | * | cis | -161.1 | 151.9 | -20.8 | -130.3 | 17.4 | 0 | 0 | 0 | 108.9 | ||||
| 768 | H | 27.4 | Very low | 29.5 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -136 | 104.5 | 156.3 | -98.4 | -53.2 | 0 | 0 | 0 | 110.5 | ||||
| 769 | T | 29 | Very low | 29.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -98.3 | 137 | 167.9 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 770 | N | 30.6 | Very low | 30.1 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -149.4 | 164 | 161.1 | -118.6 | -24.6 | 0 | 0 | 0 | 111.6 | ||||
| 771 | H | 30.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -105.6 | 152.1 | -150.9 | -92.2 | -103 | 0 | 0 | 0 | 116.9 | ||||
| 772 | L | 25.3 | Very low | 30.1 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 54.3 | 96.8 | 138.6 | -63.1 | 166.6 | 0 | 0 | 0 | 121.4 | ||||
| 773 | H | 29.4 | Very low | 30.6 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | -163.2 | 141.8 | 116.7 | -106.3 | 64.8 | 0 | 0 | 0 | 108.3 | |||||
| 774 | S | 24.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | 84.3 | 70.7 | 23 | -166.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 775 | T | 30.6 | Very low | 30.6 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -147.5 | 124.9 | 152.4 | -34.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 776 | Y | 29.4 | Very low | 31 | Very low | 234 Ų | 234 | 137.1 Ų | 137.1 | 92% | 0.918 | 79% | 0.792 | S | S | * | * | trans | -158.5 | 130.5 | 160.4 | -110.3 | -67.8 | 0 | 0 | 0 | 108.9 | ||||
| 777 | P | 40.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -126.1 | 143.3 | 150.8 | 35.6 | -25.2 | 0 | 0 | 0 | 110.9 | ||||
| 778 | G | 31.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | cis | -174 | 158.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 779 | S | 31.7 | Very low | 30.9 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -76.9 | 170 | 179.3 | -46.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 780 | P | 36.3 | Very low | 31.1 | Very low | 137 Ų | 137 | 130 Ų | 130 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | -137.5 | 164 | 82.9 | 38.3 | -25.6 | 0 | 0 | 0 | 113.5 | |||||
| 781 | G | 31.6 | Very low | 31.4 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | cis | 173.1 | 162.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 782 | A | 31 | Very low | 31.9 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -139.8 | 154.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 783 | P | 37.9 | Very low | 32.9 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | -147.2 | 158.1 | 79.6 | 37.8 | -20.2 | 0 | 0 | 0 | 116.4 | |||||
| 784 | G | 30.2 | Very low | 34.6 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -166.2 | 124.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 785 | R | 29.4 | Very low | 36.2 | Very low | 239 Ų | 239 | 119 Ų | 119 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -152.8 | 150.5 | -172.4 | -172.4 | -174.2 | -168 | -112.2 | 5 | 109.5 | ||||
| 786 | P | 35.4 | Very low | 37.6 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | cis | -117.5 | 173.9 | -21.2 | 25.7 | -6 | 0 | 0 | 0 | 112.8 | ||||
| 787 | S | 28.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 115 Ų | 115 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -149.9 | 137.4 | 148.3 | -81.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 788 | A | 26.5 | Very low | 40.7 | Very low | 106 Ų | 106 | 113.9 Ų | 113.9 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | trans | -80 | 136.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 789 | L | 30.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 59% | 0.592 | 73% | 0.725 | S | S | * | * | trans | -107.2 | 128.7 | 161.5 | -78.7 | 165.1 | 0 | 0 | 0 | 108.3 | T791 | L789-T791 PolarHBondContact O-N 3.1Š| ||
| 790 | S | 32.6 | Very low | 44.9 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 125.5 | -174.1 | -166.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 791 | T | 37.8 | Very low | 46.6 | Very low | 128 Ų | 128 | 108.8 Ų | 108.8 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 132.9 | 163.3 | 47.3 | 0 | 0 | 0 | 0 | 109.5 | L789 | L789-T791 PolarHBondContact O-N 3.1Š|
| 792 | G | 40.2 | Very low | 48.9 | Very low | 60 Ų | 60 | 109.7 Ų | 109.7 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 155.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | T794 | G792-T794 PolarHBondContact O-N 3.2Š|
| 793 | P | 45.5 | Very low | 51.1 | Low | 94 Ų | 94 | 108.5 Ų | 108.5 | 61% | 0.61 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.8 | -176.6 | 26 | -34 | 0 | 0 | 0 | 110.7 | ||
| 794 | T | 66.3 | Low | 52.8 | Low | 103 Ų | 103 | 106.3 Ų | 106.3 | 63% | 0.632 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 156.2 | 166.2 | 39.7 | 0 | 0 | 0 | 0 | 110.2 | G792 R796 S797 L798 | G792-T794 PolarHBondContact O-N 3.2Å; T794-R796 PolarHBondContact O-N 3.06Å; T794-R796 VanDerWaalsContact O-N 3.11Å; T794-S797 WeakPolarHBondContact O-CA 3.35Å; T794-S797 WeakPolarHBondContact O-CB 3.37Å; T794-S797 PolarHBondContact O-N 3.02Å; T794-L798 PolarHBondContact O-N 3.18Å |
| 795 | V | 57.4 | Low | 54.8 | Low | 111 Ų | 111 | 108.4 Ų | 108.4 | 67% | 0.673 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53.7 | -37.2 | -178.7 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | S797 L798 I799 | V795-S797 PolarHBondContact O-N 3.09Å; V795-L798 PolarHBondContact O-N 2.67Å; V795-I799 HydrophobicContact CG1-CD1 3.9Å; V795-I799 HydrophobicContact CG1-CG1 4.45Å; V795-I799 WeakPolarHBondContact O-CG1 3.45Å; V795-I799 PolarHBondContact O-N 3.31Å |
| 796 | R | 60.7 | Low | 57 | Low | 217 Ų | 217 | 100.6 Ų | 100.6 | 82% | 0.819 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62 | -37.5 | 171.9 | -73.9 | -174.5 | 176.4 | 173.9 | -1.5 | 113.7 | T794 Q800 | T794-R796 PolarHBondContact O-N 3.06Å; T794-R796 VanDerWaalsContact O-N 3.11Å; R796-Q800 WeakPolarHBondContact O-CB 3.33Å; R796-Q800 PolarHBondContact O-N 3.16Å |
| 797 | S | 64 | Low | 58.9 | Low | 60 Ų | 60 | 100.5 Ų | 100.5 | 42% | 0.42 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -33.9 | 175.5 | 178 | 0 | 0 | 0 | 0 | 112.1 | T794 V795 S801 | T794-S797 WeakPolarHBondContact O-CA 3.35Å; T794-S797 WeakPolarHBondContact O-CB 3.37Å; T794-S797 PolarHBondContact O-N 3.02Å; V795-S797 PolarHBondContact O-N 3.09Å; S797-S801 VanDerWaalsContact O-CB 3.31Å; S797-S801 WeakPolarHBondContact O-CB 3.41Å; S797-S801 PolarHBondContact O-N 3.35Å |
| 798 | L | 70.5 | Confident | 60.5 | Low | 96 Ų | 96 | 97.3 Ų | 97.3 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.6 | -47.7 | 172.4 | -172.5 | 69.5 | 0 | 0 | 0 | 111.3 | T794 V795 Q800 S801 I802 | T794-L798 PolarHBondContact O-N 3.18Å; V795-L798 PolarHBondContact O-N 2.67Å; L798-Q800 PolarHBondContact O-N 3.11Å; L798-S801 WeakPolarHBondContact O-CB 3.46Å; L798-S801 PolarHBondContact O-N 3.49Å; L798-S801 VanDerWaalsContact O-N 3.15Å; L798-I802 HydrophobicContact CG-CD1 4.08Å; L798-I802 WeakPolarHBondContact O-CG1 3.5Å; L798-I802 PolarHBondContact O-N 3.19Å |
| 799 | I | 77.1 | Confident | 62.3 | Low | 86 Ų | 86 | 96.7 Ų | 96.7 | 44% | 0.441 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 175.3 | -68.7 | 165.8 | 0 | 0 | 0 | 110.3 | V795 S801 I802 E803 | V795-I799 HydrophobicContact CG1-CD1 3.9Å; V795-I799 HydrophobicContact CG1-CG1 4.45Å; V795-I799 WeakPolarHBondContact O-CG1 3.45Å; V795-I799 PolarHBondContact O-N 3.31Å; I799-S801 VanDerWaalsContact C-N 3.28Å; I799-S801 PolarHBondContact O-N 2.85Å; I799-I802 PolarHBondContact O-N 3.05Å; I799-E803 PolarHBondContact O-N 3.22Å |
| 800 | Q | 73.9 | Confident | 63.6 | Low | 86 Ų | 86 | 96.9 Ų | 96.9 | 40% | 0.402 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.7 | -32.4 | 178.2 | -162.3 | 66.3 | 78 | 0 | 0 | 112.6 | R796 L798 E803 N804 | R796-Q800 WeakPolarHBondContact O-CB 3.33Å; R796-Q800 PolarHBondContact O-N 3.16Å; L798-Q800 PolarHBondContact O-N 3.11Å; Q800-E803 PolarHBondContact NE2-OE2 2.7Å; Q800-N804 PolarHBondContact NE2-OD1 3.5Å; Q800-N804 WeakPolarHBondContact O-CB 3.36Å; Q800-N804 PolarHBondContact O-N 3.05Å; Q800-N804 PolarHBondContact O-ND2 3.33Å; Q800-N804 PolarHBondContact O-OD1 2.84Å |
| 801 | S | 72.7 | Confident | 64.4 | Low | 52 Ų | 52 | 96.8 Ų | 96.8 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 173.9 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | S797 L798 I799 N804 Q805 | S797-S801 VanDerWaalsContact O-CB 3.31Å; S797-S801 WeakPolarHBondContact O-CB 3.41Å; S797-S801 PolarHBondContact O-N 3.35Å; L798-S801 WeakPolarHBondContact O-CB 3.46Å; L798-S801 PolarHBondContact O-N 3.49Å; L798-S801 VanDerWaalsContact O-N 3.15Å; I799-S801 VanDerWaalsContact C-N 3.28Å; I799-S801 PolarHBondContact O-N 2.85Å; S801-N804 PolarHBondContact O-N 2.72Å; S801-Q805 WeakPolarHBondContact O-CB 3.19Å; S801-Q805 VanDerWaalsContact O-CG 3.31Å; S801-Q805 WeakPolarHBondContact O-CG 3.48Å; S801-Q805 PolarHBondContact O-N 3.04Å |
| 802 | I | 79.4 | Confident | 65 | Low | 93 Ų | 93 | 98 Ų | 98 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 175.9 | -67.5 | 166.1 | 0 | 0 | 0 | 110.3 | L798 I799 N804 Q805 V806 | L798-I802 HydrophobicContact CG-CD1 4.08Å; L798-I802 WeakPolarHBondContact O-CG1 3.5Å; L798-I802 PolarHBondContact O-N 3.19Å; I799-I802 PolarHBondContact O-N 3.05Å; I802-N804 VanDerWaalsContact C-N 3.31Å; I802-N804 PolarHBondContact O-N 3.27Å; I802-Q805 PolarHBondContact O-N 3.41Å; I802-V806 HydrophobicContact CG2-CG2 4.47Å; I802-V806 WeakPolarHBondContact O-CG2 3.33Å; I802-V806 PolarHBondContact O-N 3.26Å |
| 803 | E | 76.6 | Confident | 65.1 | Low | 74 Ų | 74 | 103.5 Ų | 103.5 | 35% | 0.346 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 172.7 | -81.1 | -174.5 | -145.5 | 0 | 0 | 112.1 | I799 Q800 Q805 V806 K807 | I799-E803 PolarHBondContact O-N 3.22Å; Q800-E803 PolarHBondContact NE2-OE2 2.7Å; E803-Q805 VanDerWaalsContact C-N 3.33Å; E803-V806 PolarHBondContact O-N 2.9Å; E803-K807 VanDerWaalsContact O-CB 3.29Å; E803-K807 WeakPolarHBondContact O-CB 3.4Å; E803-K807 WeakPolarHBondContact O-CD 3.47Å; E803-K807 WeakPolarHBondContact O-CG 3.41Å; E803-K807 PolarHBondContact O-N 3.46Å; E803-K807 IonicContact OE2-NZ 3.17Å; E803-K807 PolarHBondContact OE2-NZ 2.82Å |
| 804 | N | 74.1 | Confident | 64.7 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.9 | -31 | -177.8 | -70 | -0.5 | 0 | 0 | 0 | 111.6 | Q800 S801 I802 A808 | Q800-N804 PolarHBondContact NE2-OD1 3.5Å; Q800-N804 WeakPolarHBondContact O-CB 3.36Å; Q800-N804 PolarHBondContact O-N 3.05Å; Q800-N804 PolarHBondContact O-ND2 3.33Å; Q800-N804 PolarHBondContact O-OD1 2.84Å; S801-N804 PolarHBondContact O-N 2.72Å; I802-N804 VanDerWaalsContact C-N 3.31Å; I802-N804 PolarHBondContact O-N 3.27Å; N804-A808 WeakPolarHBondContact O-CB 3.26Å; N804-A808 PolarHBondContact O-N 2.88Å |
| 805 | Q | 72.7 | Confident | 63.1 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.9 | -41.2 | 170 | -73.2 | 178 | 29.7 | 0 | 0 | 111.9 | S801 I802 E803 A808 V809 | S801-Q805 WeakPolarHBondContact O-CB 3.19Å; S801-Q805 VanDerWaalsContact O-CG 3.31Å; S801-Q805 WeakPolarHBondContact O-CG 3.48Å; S801-Q805 PolarHBondContact O-N 3.04Å; I802-Q805 PolarHBondContact O-N 3.41Å; E803-Q805 VanDerWaalsContact C-N 3.33Å; Q805-A808 PolarHBondContact O-N 2.89Å; Q805-V809 WeakPolarHBondContact O-CB 3.4Å; Q805-V809 VanDerWaalsContact O-CG2 3.31Å; Q805-V809 WeakPolarHBondContact O-CG2 3.45Å; Q805-V809 PolarHBondContact O-N 3.48Å |
| 806 | V | 74.9 | Confident | 61.9 | Low | 75 Ų | 75 | 108.2 Ų | 108.2 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | I802 E803 A808 V809 Q810 | I802-V806 HydrophobicContact CG2-CG2 4.47Å; I802-V806 WeakPolarHBondContact O-CG2 3.33Å; I802-V806 PolarHBondContact O-N 3.26Å; E803-V806 PolarHBondContact O-N 2.9Å; V806-A808 PolarHBondContact O-N 3.28Å; V806-V809 PolarHBondContact O-N 2.93Å; V806-Q810 HydrophobicContact CG1-CG 4.48Å; V806-Q810 WeakPolarHBondContact O-CB 3.4Å; V806-Q810 VanDerWaalsContact O-CG 3.27Å; V806-Q810 WeakPolarHBondContact O-CG 3.41Å; V806-Q810 PolarHBondContact O-N 2.88Å |
| 807 | K | 76.4 | Confident | 60.4 | Low | 98 Ų | 98 | 103.3 Ų | 103.3 | 43% | 0.426 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 175 | -71.9 | 161.2 | 179.8 | 166 | 0 | 111.5 | E803 Q810 H811 | E803-K807 VanDerWaalsContact O-CB 3.29Å; E803-K807 WeakPolarHBondContact O-CB 3.4Å; E803-K807 WeakPolarHBondContact O-CD 3.47Å; E803-K807 WeakPolarHBondContact O-CG 3.41Å; E803-K807 PolarHBondContact O-N 3.46Å; E803-K807 IonicContact OE2-NZ 3.17Å; E803-K807 PolarHBondContact OE2-NZ 2.82Å; K807-Q810 PolarHBondContact O-N 3.31Å; K807-H811 WeakPolarHBondContact O-CB 3.49Å; K807-H811 PolarHBondContact O-CD2 3.42Å; K807-H811 PolarHBondContact O-N 2.95Å |
| 808 | A | 61.2 | Low | 58.7 | Low | 57 Ų | 57 | 106.5 Ų | 106.5 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.4 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N804 Q805 V806 Q810 H811 Q812 | N804-A808 WeakPolarHBondContact O-CB 3.26Å; N804-A808 PolarHBondContact O-N 2.88Å; Q805-A808 PolarHBondContact O-N 2.89Å; V806-A808 PolarHBondContact O-N 3.28Å; A808-Q810 VanDerWaalsContact C-N 3.34Å; A808-Q810 PolarHBondContact O-N 3.4Å; A808-H811 PolarHBondContact O-N 2.95Å; A808-Q812 WeakPolarHBondContact O-CB 3.48Å; A808-Q812 PolarHBondContact O-N 3.4Å |
| 809 | V | 63.6 | Low | 56.9 | Low | 92 Ų | 92 | 106.8 Ų | 106.8 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.9 | -39 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | Q805 V806 Q812 K813 | Q805-V809 WeakPolarHBondContact O-CB 3.4Å; Q805-V809 VanDerWaalsContact O-CG2 3.31Å; Q805-V809 WeakPolarHBondContact O-CG2 3.45Å; Q805-V809 PolarHBondContact O-N 3.48Å; V806-V809 PolarHBondContact O-N 2.93Å; V809-Q812 PolarHBondContact O-N 2.91Å; V809-K813 WeakPolarHBondContact O-CB 3.4Å; V809-K813 PolarHBondContact O-N 3.5Å |
| 810 | Q | 58.6 | Low | 54.8 | Low | 118 Ų | 118 | 108 Ų | 108 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.1 | -41.5 | 174.1 | -75.6 | 170.4 | -30.8 | 0 | 0 | 112.1 | V806 K807 A808 K813 R814 | V806-Q810 HydrophobicContact CG1-CG 4.48Å; V806-Q810 WeakPolarHBondContact O-CB 3.4Å; V806-Q810 VanDerWaalsContact O-CG 3.27Å; V806-Q810 WeakPolarHBondContact O-CG 3.41Å; V806-Q810 PolarHBondContact O-N 2.88Å; K807-Q810 PolarHBondContact O-N 3.31Å; A808-Q810 VanDerWaalsContact C-N 3.34Å; A808-Q810 PolarHBondContact O-N 3.4Å; Q810-K813 CarbonylContact O-C 3.59Å; Q810-K813 PolarHBondContact O-N 2.97Å; Q810-R814 WeakPolarHBondContact O-CB 3.44Å; Q810-R814 PolarHBondContact O-N 3.46Å; Q810-R814 VanDerWaalsContact O-N 3.11Å |
| 811 | H | 49.8 | Very low | 52.9 | Low | 120 Ų | 120 | 110.7 Ų | 110.7 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.1 | -42 | 173.2 | -93.4 | -89.8 | 0 | 0 | 0 | 112.5 | K807 A808 K813 R814 S815 | K807-H811 WeakPolarHBondContact O-CB 3.49Å; K807-H811 PolarHBondContact O-CD2 3.42Å; K807-H811 PolarHBondContact O-N 2.95Å; A808-H811 PolarHBondContact O-N 2.95Å; H811-K813 PolarHBondContact O-N 2.67Å; H811-R814 CarbonylContact O-C 3.5Å; H811-R814 WeakPolarHBondContact O-CA 3.41Å; H811-R814 PolarHBondContact O-N 3.03Å; H811-S815 PolarHBondContact O-N 2.97Å; H811-S815 PolarHBondContact O-OG 3.37Å |
| 812 | Q | 48.5 | Very low | 51 | Low | 154 Ų | 154 | 111.6 Ų | 111.6 | 72% | 0.72 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64 | -25.5 | 176.1 | -157 | 168.3 | 24.9 | 0 | 0 | 112.1 | A808 V809 | A808-Q812 WeakPolarHBondContact O-CB 3.48Å; A808-Q812 PolarHBondContact O-N 3.4Å; V809-Q812 PolarHBondContact O-N 2.91Å |
| 813 | K | 43.7 | Very low | 48.9 | Very low | 175 Ų | 175 | 114.6 Ų | 114.6 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -5.8 | 170.5 | -143.4 | 175.2 | -171.7 | -179 | 0 | 114.3 | V809 Q810 H811 | V809-K813 WeakPolarHBondContact O-CB 3.4Å; V809-K813 PolarHBondContact O-N 3.5Å; Q810-K813 CarbonylContact O-C 3.59Å; Q810-K813 PolarHBondContact O-N 2.97Å; H811-K813 PolarHBondContact O-N 2.67Å |
| 814 | R | 35.7 | Very low | 47 | Very low | 198 Ų | 198 | 116.4 Ų | 116.4 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -4.9 | 179.9 | -154.8 | 174.1 | -170.1 | -175.7 | 3.4 | 113.3 | Q810 H811 | Q810-R814 WeakPolarHBondContact O-CB 3.44Å; Q810-R814 PolarHBondContact O-N 3.46Å; Q810-R814 VanDerWaalsContact O-N 3.11Å; H811-R814 CarbonylContact O-C 3.5Å; H811-R814 WeakPolarHBondContact O-CA 3.41Å; H811-R814 PolarHBondContact O-N 3.03Å |
| 815 | S | 33.4 | Very low | 45 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -97.8 | 14.7 | 176.9 | -62.6 | 0 | 0 | 0 | 0 | 114.4 | H811 | H811-S815 PolarHBondContact O-N 2.97Å; H811-S815 PolarHBondContact O-OG 3.37Å |
| 816 | T | 33.5 | Very low | 43.3 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -129.2 | 30.1 | -173.6 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 817 | T | 27.7 | Very low | 41.1 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | -140.4 | 72.4 | -178 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 818 | S | 29.7 | Very low | 39 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | -160.8 | 54.5 | 165.7 | 65.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 819 | A | 32.5 | Very low | 37.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -154.6 | 100.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 820 | S | 32.9 | Very low | 35.7 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 33.5 | 104.9 | 154.7 | -166.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 821 | V | 33.7 | Very low | 34.3 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | 34.7 | 122.8 | 124.5 | -173.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 822 | G | 33.1 | Very low | 33.3 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 173.7 | 52.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 823 | N | 34.3 | Very low | 32.6 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 30.9 | 140.3 | 160.8 | -77.9 | -3.9 | 0 | 0 | 0 | 124.7 | ||||
| 824 | S | 35.9 | Very low | 32 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 81.6 | 100.3 | 148.2 | -64.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 825 | R | 32.7 | Very low | 31.9 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | 41.1 | 145.5 | 114.5 | -103.6 | -170.3 | -179.3 | -161.4 | 1.2 | 121.2 | |||||
| 826 | P | 37.3 | Very low | 31.9 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | -137.7 | 159.7 | -64.5 | 39.2 | -22.8 | 0 | 0 | 0 | 115.1 | |||||
| 827 | V | 28.6 | Very low | 31.8 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | 34.8 | 111.2 | 145.6 | -174.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 828 | R | 32.3 | Very low | 32.1 | Very low | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | -160.5 | 151.1 | 106.3 | -152.2 | 164.3 | -173.6 | 156 | 1.6 | 111.9 | |||||
| 829 | L | 25.7 | Very low | 32.2 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -83.8 | 141.8 | 175.8 | -66 | 164 | 0 | 0 | 0 | 111.3 | ||||
| 830 | Y | 30.4 | Very low | 32.3 | Very low | 225 Ų | 225 | 141 Ų | 141 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -152.1 | 144.3 | 138.8 | -101.2 | -66.5 | 0 | 0 | 0 | 110.7 | ||||
| 831 | T | 29.3 | Very low | 32.3 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -102.2 | 123.2 | -179.9 | 48.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 832 | N | 28.6 | Very low | 32.1 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | -163.5 | 139.4 | 128.4 | -119.5 | -2.4 | 0 | 0 | 0 | 115.6 | |||||
| 833 | T | 33.7 | Very low | 32.3 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 10.1 | 103.2 | 149.6 | 56.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 834 | N | 31.9 | Very low | 32.3 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 31.2 | 127.3 | 127.6 | -71.9 | 17.8 | 0 | 0 | 0 | 122.6 | |||||
| 835 | N | 32.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 82.3 | 110.5 | 134.1 | -60.9 | 7.7 | 0 | 0 | 0 | 120.9 | ||||
| 836 | N | 33 | Very low | 32.2 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 59.4 | 140.8 | 124.9 | -70.2 | 48.6 | 0 | 0 | 0 | 120.5 | |||||
| 837 | D | 32.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | cis | -156.9 | 156.3 | 17.9 | -121.6 | -33.1 | 0 | 0 | 0 | 115.4 | ||||
| 838 | N | 32.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 67.6 | 135.3 | 147.4 | -75.9 | -52 | 0 | 0 | 0 | 126 | ||||
| 839 | S | 32.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 81.6 | 125.9 | 145.7 | -130.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 840 | N | 34.3 | Very low | 32.5 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | cis | -159.4 | 156.4 | 32.4 | -126 | -39 | 0 | 0 | 0 | 113 | ||||
| 841 | N | 32.8 | Very low | 32.6 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | 26.8 | 136 | 157.2 | -57.9 | -45.4 | 0 | 0 | 0 | 122.6 | ||||
| 842 | G | 31.2 | Very low | 32.5 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | cis | 142.9 | 161.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 843 | K | 35.8 | Very low | 32.6 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | 74.5 | 140.5 | 164.8 | -64.3 | 173.3 | -175.8 | 172.4 | 0 | 116.5 | ||||
| 844 | N | 34.6 | Very low | 32.5 | Very low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | cis | -152 | 154.1 | 6.7 | -92.3 | -29.4 | 0 | 0 | 0 | 113 | ||||
| 845 | N | 33.9 | Very low | 32.4 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 53.6 | 135.1 | 154.2 | -71.1 | -20.3 | 0 | 0 | 0 | 121.3 | ||||
| 846 | R | 31.8 | Very low | 32.3 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 82% | 0.823 | 75% | 0.753 | S | S | * | * | 72.8 | 130.9 | 51 | -74.7 | -177.7 | 166.1 | -173.4 | -3.5 | 112.7 | |||||
| 847 | Q | 36.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | cis | -141.7 | 176.4 | 17.7 | -64 | -174.3 | -12.4 | 0 | 0 | 114.7 | ||||
| 848 | N | 28 | Very low | 32.6 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -24.2 | 166.2 | 155.6 | -62 | -11.9 | 0 | 0 | 0 | 117.2 | ||||
| 849 | I | 33.9 | Very low | 32.4 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | -151 | 153 | 50.7 | -64 | 163.9 | 0 | 0 | 0 | 114.1 | |||||
| 850 | S | 32.4 | Very low | 32.3 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -41 | 161.6 | 165.3 | -164.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 851 | S | 33.4 | Very low | 32.2 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -161.8 | -177.4 | 45.2 | -62.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 852 | C | 26.9 | Very low | 32.4 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -123.2 | 169.2 | -167.1 | -58.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 853 | L | 30.1 | Very low | 32.5 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 93.2 | 126.4 | 153.6 | -68.6 | 164.7 | 0 | 0 | 0 | 121.4 | ||||
| 854 | S | 32.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 71.3 | 148.6 | 141.5 | -67 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 855 | L | 29.5 | Very low | 32 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -165.5 | 166.1 | -21.7 | -119.1 | 174.3 | 0 | 0 | 0 | 109.4 | ||||
| 856 | M | 30.3 | Very low | 32 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | 73.5 | 156.4 | 165.3 | -66.4 | 172.4 | 67.5 | 0 | 0 | 119.5 | ||||
| 857 | S | 31.2 | Very low | 32 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -102.9 | -169.8 | -172.6 | -43.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 858 | P | 41.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | cis | -145.7 | -168.6 | 10 | 44.4 | -23.2 | 0 | 0 | 0 | 117.5 | ||||
| 859 | T | 28.2 | Very low | 32.5 | Very low | 141 Ų | 141 | 130 Ų | 130 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | 62.8 | 128.7 | 157.3 | 50.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 860 | G | 30.3 | Very low | 32.4 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 144.4 | 101.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 861 | Y | 31 | Very low | 32.4 | Very low | 230 Ų | 230 | 128.2 Ų | 128.2 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -82.4 | 150.8 | 153.4 | -89.5 | -92.4 | 0 | 0 | 0 | 108.4 | ||||
| 862 | P | 38.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | cis | -136 | -170.3 | 47.9 | 36.6 | -16.1 | 0 | 0 | 0 | 113.7 | ||||
| 863 | G | 31.5 | Very low | 32.9 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | 152.1 | 128.1 | -14.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 864 | K | 32.2 | Very low | 33 | Very low | 205 Ų | 205 | 125.9 Ų | 125.9 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | 76 | 134.1 | 167 | -61.2 | -177.6 | 176 | 179.3 | 0 | 120.9 | ||||
| 865 | S | 28.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 150.5 | 152.9 | -91.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 866 | T | 34.9 | Very low | 33.3 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | cis | -132 | 161.5 | 7.6 | 53 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 867 | A | 31.9 | Very low | 33.5 | Very low | 85 Ų | 85 | 123.5 Ų | 123.5 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -85.6 | -161.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 868 | P | 41.9 | Very low | 33.8 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -143.7 | -162 | 2.7 | 32 | -4.5 | 0 | 0 | 0 | 115.8 | ||||
| 869 | I | 31.8 | Very low | 33.4 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 71.9 | 111.7 | 162.3 | -49.3 | 179.4 | 0 | 0 | 0 | 114.9 | ||||
| 870 | S | 32.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | cis | 86.5 | 113.7 | 44.4 | -171.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 871 | N | 33.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | 174 | 143.1 | 122.2 | -90.6 | 0.1 | 0 | 0 | 0 | 114.2 | |||||
| 872 | N | 36.1 | Very low | 34 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | 32.7 | 146.1 | 128 | -55.4 | -0.3 | 0 | 0 | 0 | 120.1 | |||||
| 873 | N | 34 | Very low | 33.6 | Very low | 153 Ų | 153 | 119.2 Ų | 119.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | cis | -161.8 | 169.2 | -2.6 | -96.5 | -13.9 | 0 | 0 | 0 | 105.9 | ||||
| 874 | G | 32.8 | Very low | 33.8 | Very low | 62 Ų | 62 | 122.8 Ų | 122.8 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | cis | 168 | -167.3 | 4.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 875 | N | 33.2 | Very low | 33.8 | Very low | 164 Ų | 164 | 117.8 Ų | 117.8 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | 24.9 | 138.4 | 159.9 | -56.2 | 4.1 | 0 | 0 | 0 | 121.4 | ||||
| 876 | G | 34.2 | Very low | 34.1 | Very low | 64 Ų | 64 | 118.4 Ų | 118.4 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | cis | 145.8 | -178.1 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 877 | N | 35.1 | Very low | 34.1 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 72.6 | 150.6 | 158.8 | -60.3 | 19.8 | 0 | 0 | 0 | 116.6 | ||||
| 878 | N | 35.9 | Very low | 34.1 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | cis | -161.1 | 165.2 | -1.7 | -123.5 | 33.2 | 0 | 0 | 0 | 112.9 | ||||
| 879 | D | 33.3 | Very low | 33.5 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | trans | 64.9 | 152 | 146.6 | -59.5 | -27.3 | 0 | 0 | 0 | 121.1 | ||||
| 880 | T | 36.2 | Very low | 33.3 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | cis | -153.8 | 139.3 | 6.2 | -9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 881 | G | 33.8 | Very low | 33.1 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 70.9 | 161 | 137.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 882 | N | 33.2 | Very low | 32.7 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | cis | -158 | 163.5 | -22.3 | -157.8 | 1.9 | 0 | 0 | 0 | 112.1 | ||||
| 883 | S | 30.5 | Very low | 32.2 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -75.6 | 157.7 | -161.8 | -47.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 884 | T | 34.4 | Very low | 31.9 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | -162.4 | 134 | 128.4 | 2.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 885 | S | 33.8 | Very low | 31.7 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 17.1 | 143.8 | 153.1 | 57.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 886 | N | 33.4 | Very low | 31.7 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -164.4 | 150.2 | 31.6 | -136.5 | -0.9 | 0 | 0 | 0 | 115.1 | ||||
| 887 | H | 35.1 | Very low | 31.4 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 70% | 0.704 | 75% | 0.748 | S | S | * | * | trans | 52.1 | 155.8 | 167.9 | -66.4 | -84.9 | 0 | 0 | 0 | 121.2 | ||||
| 888 | Q | 31.4 | Very low | 31.8 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | cis | -168.5 | 133.5 | -38.1 | -172.3 | 166.6 | 6.6 | 0 | 0 | 109.1 | ||||
| 889 | L | 29 | Very low | 31.7 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | trans | -157.2 | 112.7 | 171.1 | -116.5 | 174.3 | 0 | 0 | 0 | 111.7 | ||||
| 890 | N | 29.4 | Very low | 31.7 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | 172.3 | 149.2 | 124.6 | -98.1 | -34.4 | 0 | 0 | 0 | 115.8 | |||||
| 891 | S | 27.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 81.9 | 131.4 | 151.2 | 77.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 892 | R | 25 | Very low | 31.4 | Very low | 225 Ų | 225 | 133.3 Ų | 133.3 | 85% | 0.849 | 75% | 0.751 | S | S | * | * | trans | 86.2 | 104.6 | 142.2 | -106.6 | -163.3 | 169.3 | 172.9 | -2.4 | 123.2 | ||||
| 893 | T | 25.6 | Very low | 31.3 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 61% | 0.613 | 75% | 0.748 | S | S | * | * | 78 | 125.9 | 124 | 42.1 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 894 | T | 26.2 | Very low | 31.5 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | 81.5 | 161.6 | 134.6 | 52.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 895 | I | 30.5 | Very low | 31 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 101.4 | 121.9 | 167.1 | -61.1 | 169.3 | 0 | 0 | 0 | 114.7 | ||||
| 896 | T | 32.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 139 Ų | 139 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | cis | -166.8 | 140.3 | -10.9 | 27 | 0 | 0 | 0 | 0 | 114 | ||||
| 897 | N | 28.8 | Very low | 30.7 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 61.1 | -179.4 | 130.2 | -55.2 | -2 | 0 | 0 | 0 | 121.8 | ||||
| 898 | P | 42.8 | Very low | 30.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | -142.9 | 163.1 | -67.5 | 42.6 | -27.1 | 0 | 0 | 0 | 117.5 | |||||
| 899 | V | 34.2 | Very low | 30.7 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -154.4 | 104.1 | 152.8 | 179.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 900 | I | 32.4 | Very low | 30.7 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | 87.2 | 119.2 | 76.6 | -68 | 162.1 | 0 | 0 | 0 | 114.8 | |||||
| 901 | S | 30.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | 64.3 | 146.2 | 163.1 | -67.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 902 | S | 33.9 | Very low | 30.8 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | cis | -165.6 | 144.7 | -7.9 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 903 | E | 31.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | 47.7 | 147.7 | 139.8 | -59.2 | -169.8 | 142.7 | 0 | 0 | 121.9 | ||||
| 904 | I | 33 | Very low | 31.2 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 65% | 0.646 | 72% | 0.721 | S | S | * | * | cis | -152.9 | 155.7 | -8.4 | -116.6 | 164.3 | 0 | 0 | 0 | 108.1 | Y906 | I904-Y906 HydrophobicContact CG2-CD2 3.83Å; I904-Y906 HydrophobicContact CG2-CE2 4.43Å | ||
| 905 | N | 24.8 | Very low | 31.3 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | -116.1 | 136.3 | 172.6 | -178.7 | -0 | 0 | 0 | 0 | 110.2 | ||||
| 906 | Y | 30.4 | Very low | 31.1 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 69% | 0.686 | 72% | 0.719 | S | S | * | * | trans | -139.2 | 97.4 | 173.4 | -106.5 | -81.9 | 0 | 0 | 0 | 113.9 | I904 | I904-Y906 HydrophobicContact CG2-CD2 3.83Å; I904-Y906 HydrophobicContact CG2-CE2 4.43Å | ||
| 907 | K | 31 | Very low | 31 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 73% | 0.726 | 72% | 0.723 | S | S | * | * | trans | 59.1 | 139.9 | 145.4 | -59.3 | -179.1 | -175.2 | 176.6 | 0 | 116.8 | ||||
| 908 | V | 32.1 | Very low | 30.9 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | cis | -146.6 | 129.7 | 48 | 165 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 909 | K | 34 | Very low | 30.3 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | 42.7 | 127.7 | 150.4 | -59 | 173.9 | -176.8 | -179.5 | 0 | 119.1 | ||||
| 910 | N | 28 | Very low | 30.1 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | 68 | 143.2 | 51.1 | -56.8 | 34.9 | 0 | 0 | 0 | 112.7 | |||||
| 911 | Q | 29.9 | Very low | 30.1 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | cis | -159.4 | 156.1 | 15.1 | -161.5 | 105.3 | 12.3 | 0 | 0 | 111.2 | ||||
| 912 | E | 29.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | trans | 59.5 | 133.3 | 147.8 | -83.5 | 146.8 | -146.5 | 0 | 0 | 120.5 | ||||
| 913 | N | 27.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | 76.4 | 148.9 | 60.3 | -63.2 | -4 | 0 | 0 | 0 | 112.9 | |||||
| 914 | T | 30.5 | Very low | 30.3 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | cis | -163.6 | 161.5 | -3.7 | 14.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 915 | D | 28.3 | Very low | 30.6 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | 48.1 | 122 | 143 | -57.8 | -23.6 | 0 | 0 | 0 | 124.3 | ||||
| 916 | M | 28.1 | Very low | 31 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | 67.6 | 129.3 | 125.2 | -59.7 | -70.2 | -93 | 0 | 0 | 123.4 | |||||
| 917 | N | 29.4 | Very low | 30.8 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 77.9 | 104.5 | 144.3 | -66.2 | -21.3 | 0 | 0 | 0 | 122.9 | ||||
| 918 | S | 27.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 60 | 114.8 | 128.2 | 66.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 919 | L | 30.2 | Very low | 31 | Very low | 153 Ų | 153 | 127 Ų | 127 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | -169.2 | 114.8 | 127.3 | -120.4 | 61 | 0 | 0 | 0 | 106.6 | |||||
| 920 | I | 28.7 | Very low | 30.8 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | 68.8 | 139.7 | 81.7 | -60.9 | 170.3 | 0 | 0 | 0 | 113.3 | |||||
| 921 | H | 32.4 | Very low | 31 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 88.8 | 131.6 | -171.3 | -69.7 | -82.7 | 0 | 0 | 0 | 115.8 | ||||
| 922 | T | 33.1 | Very low | 30.9 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | cis | -159 | 161.6 | -19.6 | -8.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 923 | S | 33.7 | Very low | 30.7 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 74.5 | 129.5 | 156.8 | -55.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 924 | A | 33.3 | Very low | 30.8 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -98.4 | -169.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 925 | P | 41.1 | Very low | 30.8 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | cis | -126.8 | -174.3 | -2.3 | 42 | -25.1 | 0 | 0 | 0 | 113.5 | ||||
| 926 | G | 31.9 | Very low | 31 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | cis | 145.3 | 108.7 | -14 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 927 | G | 26.5 | Very low | 31 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | trans | 59.8 | -169.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 928 | P | 38.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | cis | -130.7 | -166.5 | -12.4 | 42.8 | -26.8 | 0 | 0 | 0 | 113.1 | ||||
| 929 | S | 28.8 | Very low | 31.8 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -81.3 | 139.6 | 168.8 | -48.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 930 | S | 30.9 | Very low | 32 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -161.4 | 148.2 | 167.3 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 931 | T | 31.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | 40.7 | 107.9 | 132.8 | -49.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 932 | I | 26.9 | Very low | 31.8 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | 57.6 | 101.7 | 58.6 | -55.7 | -175.7 | 0 | 0 | 0 | 114.6 | |||||
| 933 | L | 27.2 | Very low | 32.5 | Very low | 167 Ų | 167 | 121.6 Ų | 121.6 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 63.3 | 155.6 | 167.2 | -86.4 | 78.6 | 0 | 0 | 0 | 118.3 | ||||
| 934 | G | 29.7 | Very low | 32.4 | Very low | 66 Ų | 66 | 121.1 Ų | 121.1 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | 116.3 | 81.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 935 | N | 28.8 | Very low | 32.4 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | 44.9 | 127.7 | 75.3 | -74 | -14.5 | 0 | 0 | 0 | 113.4 | |||||
| 936 | Q | 33.5 | Very low | 32 | Very low | 138 Ų | 138 | 120.8 Ų | 120.8 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | cis | -165.4 | 160.3 | 9.5 | -126.9 | 171.4 | 52.7 | 0 | 0 | 112.2 | ||||
| 937 | N | 28.9 | Very low | 32 | Very low | 130 Ų | 130 | 123 Ų | 123 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | 52.9 | 129.7 | 152.6 | -54.6 | -29.5 | 0 | 0 | 0 | 118.4 | ||||
| 938 | V | 36.6 | Very low | 32 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 89% | 0.885 | 71% | 0.71 | S | S | * | * | -162.5 | 148.3 | 74.7 | 150.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 939 | A | 36.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 58% | 0.579 | 71% | 0.709 | S | S | * | * | cis | -169.4 | 152.6 | -27.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 940 | K | 33.6 | Very low | 31.5 | Very low | 195 Ų | 195 | 123.9 Ų | 123.9 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | 63.7 | 122.7 | 171.1 | -57.2 | 178.1 | -178.7 | -179.2 | 0 | 115.4 | ||||
| 941 | K | 27.4 | Very low | 31.5 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | cis | 68.7 | 149.1 | 10.1 | -160.6 | -179.2 | 172.8 | -173.5 | 0 | 116.6 | ||||
| 942 | F | 29.7 | Very low | 31.4 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 52% | 0.518 | 71% | 0.709 | S | S | . | * | trans | 87.9 | 159.2 | 168.4 | -57.2 | -76.2 | 0 | 0 | 0 | 115.7 | ||||
| 943 | P | 47 | Very low | 31.5 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | cis | -111.6 | -178.3 | -1.8 | 14.2 | 10.7 | 0 | 0 | 0 | 112.9 | D945 | P943-D945 WeakPolarHBondContact CB-OD2 3.43Š| ||
| 944 | S | 31.8 | Very low | 31.7 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | S | Bend | cis | -97 | 147.2 | 5.1 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 945 | D | 34 | Very low | 31.7 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 48% | 0.476 | 70% | 0.699 | S | S | . | * | cis | 81.9 | 125.6 | 37.2 | -54.2 | -14.2 | 0 | 0 | 0 | 111.7 | P943 | P943-D945 WeakPolarHBondContact CB-OD2 3.43Š| ||
| 946 | N | 32.8 | Very low | 31.9 | Very low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | cis | -133.1 | 145.5 | -0.6 | -84.5 | -50.3 | 0 | 0 | 0 | 108.8 | ||||
| 947 | I | 32.1 | Very low | 31.9 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | 65.5 | 135.8 | 54.8 | -60.7 | 175.7 | 0 | 0 | 0 | 112.2 | |||||
| 948 | T | 26.7 | Very low | 32 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 64% | 0.638 | 70% | 0.7 | S | S | * | * | cis | -173.4 | 140.9 | -28 | -79.7 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 949 | T | 24.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | 42.8 | 126.9 | 167.8 | 57.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 950 | S | 30.9 | Very low | 31.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | -174 | 164.5 | 112.4 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 951 | S | 32 | Very low | 31.9 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | trans | 6 | 111.5 | 157 | -53.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 952 | G | 28.7 | Very low | 32.6 | Very low | 64 Ų | 64 | 123 Ų | 123 | 66% | 0.66 | 69% | 0.694 | S | S | * | * | 63.8 | 140.7 | 106.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 953 | N | 27.7 | Very low | 32.8 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | 34.3 | 115.6 | 127.7 | -62.4 | 5.7 | 0 | 0 | 0 | 116.2 | |||||
| 954 | N | 31.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | cis | 176.7 | 161.8 | 49.8 | -113.3 | -19.1 | 0 | 0 | 0 | 111.5 | ||||
| 955 | N | 31.3 | Very low | 32.4 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 65% | 0.647 | 72% | 0.716 | S | S | * | * | trans | 69.2 | 143.6 | 148.9 | -68.1 | -33.1 | 0 | 0 | 0 | 118.1 | ||||
| 956 | Q | 31.9 | Very low | 32.4 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 57% | 0.565 | 73% | 0.729 | S | S | * | * | cis | -164 | 162.1 | 1.4 | -129.5 | 166.3 | 47.4 | 0 | 0 | 115.1 | ||||
| 957 | R | 33.3 | Very low | 32.4 | Very low | 199 Ų | 199 | 125.4 Ų | 125.4 | 75% | 0.751 | 73% | 0.73 | S | S | * | * | trans | 87.3 | 124.2 | 150.3 | -69.4 | 160.1 | -152.7 | -170.2 | 7.5 | 121 | ||||
| 958 | N | 32.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | 78.5 | 135.7 | 142.6 | -60.8 | -5 | 0 | 0 | 0 | 118.8 | ||||
| 959 | V | 34.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | cis | -157.6 | 142.1 | -0.1 | 113.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 960 | K | 33.4 | Very low | 33 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | 45.8 | 113.6 | 158.1 | -61 | 174.8 | 179.7 | -178.6 | 0 | 121.7 | ||||
| 961 | T | 36.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | 64.5 | 151.7 | 62 | 67.2 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 962 | P | 42.5 | Very low | 32.7 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | cis | -145.7 | -169.4 | -11.3 | 34 | -9.4 | 0 | 0 | 0 | 118.1 | ||||
| 963 | L | 34 | Very low | 32.9 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | 79.7 | 145.9 | 159.6 | -64.3 | 151.7 | 0 | 0 | 0 | 119.7 | ||||
| 964 | G | 34.6 | Very low | 33 | Very low | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | cis | 168.6 | 140 | -13.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 965 | T | 35.4 | Very low | 33 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | trans | 63.4 | 145.7 | 171.3 | 56.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 966 | S | 34 | Very low | 33 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | -176.9 | 177.6 | -6.6 | 47.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 967 | T | 32.8 | Very low | 32.8 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | cis | -169.1 | 127.7 | -21.6 | -94.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 968 | I | 31.3 | Very low | 32.7 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | 71.1 | 130.2 | 70.7 | -79.3 | 174.6 | 0 | 0 | 0 | 113.6 | |||||
| 969 | M | 32 | Very low | 32.6 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | cis | -157.5 | 148.2 | 7.6 | -132.8 | -168.8 | -59.7 | 0 | 0 | 115.3 | ||||
| 970 | N | 32.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 13.8 | 151.6 | 142.1 | -53.5 | 2.1 | 0 | 0 | 0 | 124.6 | ||||
| 971 | S | 27.5 | Very low | 32.2 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -97.1 | -170.6 | 153.5 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 972 | T | 30.1 | Very low | 32 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | cis | -160.6 | 160.7 | 16.7 | -28.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 973 | G | 32.2 | Very low | 31.4 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 171.2 | 131.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 974 | T | 29.4 | Very low | 31.4 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -99.2 | 151 | -178.6 | -10 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 975 | T | 31.9 | Very low | 31.3 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | -178 | 137.4 | 85.8 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 976 | V | 31.5 | Very low | 31 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | trans | 5.2 | 128.4 | 149.3 | 173.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 977 | F | 27.2 | Very low | 31 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | cis | -161.4 | -166.1 | 9.1 | -113.7 | 171.5 | 0 | 0 | 0 | 107.4 | ||||
| 978 | N | 31.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | cis | -166.6 | 173.2 | 9.4 | -127.1 | -25 | 0 | 0 | 0 | 106.9 | ||||
| 979 | N | 30.9 | Very low | 30.6 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | cis | -164.1 | -177.6 | -10.2 | -155.1 | -24.9 | 0 | 0 | 0 | 108.9 | ||||
| 980 | F | 29.4 | Very low | 30.3 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | 73.9 | 86.5 | 155.9 | -113.3 | -100.4 | 0 | 0 | 0 | 121.2 | ||||
| 981 | N | 28.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 66.5 | 148.9 | 144.4 | -60.4 | -18.7 | 0 | 0 | 0 | 118.8 | ||||
| 982 | Q | 32.9 | Very low | 30.2 | Very low | 162 Ų | 162 | 144 Ų | 144 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | cis | -154.2 | 133.5 | 29 | -161.9 | 168.7 | 1.2 | 0 | 0 | 115.2 | ||||
| 983 | F | 29.9 | Very low | 30.1 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 75.3 | 121.8 | 147.9 | -90.7 | -131.3 | 0 | 0 | 0 | 124.4 | ||||
| 984 | T | 33.4 | Very low | 30 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | 64.3 | 142.3 | 143 | 55.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 985 | K | 31.5 | Very low | 30 | Very low | 179 Ų | 179 | 155 Ų | 155 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | cis | -142.7 | 144 | 26.6 | -165.5 | -174.7 | -177.7 | -163.2 | 0 | 110.8 | ||||
| 986 | I | 30.2 | Very low | 29.8 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -128.4 | 135.8 | 173.4 | -66.7 | 174.5 | 0 | 0 | 0 | 107.3 | ||||
| 987 | D | 33 | Very low | 29.8 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -100.3 | 146.9 | 165.6 | -103.9 | -59.6 | 0 | 0 | 0 | 110.2 | ||||
| 988 | S | 29.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -110.7 | 121.1 | -154.3 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 989 | K | 28.1 | Very low | 29.7 | Very low | 213 Ų | 213 | 155.2 Ų | 155.2 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | trans | -153.3 | 47 | 164.2 | -125.4 | -179.6 | -172.2 | -173.8 | 0 | 113.7 | ||||
| 990 | D | 26.2 | Very low | 29.7 | Very low | 158 Ų | 158 | 154.5 Ų | 154.5 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -156.1 | 167.1 | 164.3 | -130.3 | -33.9 | 0 | 0 | 0 | 112.7 | ||||
| 991 | V | 29.1 | Very low | 29.5 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 65.5 | 90.1 | -179.8 | -168.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 992 | L | 28.5 | Very low | 29.5 | Very low | 180 Ų | 180 | 146 Ų | 146 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 34.6 | 149.7 | -112.2 | -178.2 | 0 | 0 | 0 | 113.8 | ||||
| 993 | L | 27.5 | Very low | 29.3 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -106.3 | 76.1 | -179.1 | -121.8 | 126.8 | 0 | 0 | 0 | 112.8 | ||||
| 994 | R | 30.1 | Very low | 29.2 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 173.1 | 138.7 | 135 | -98.4 | 170.7 | 177.1 | -151.8 | -5.6 | 114.6 | ||
| 995 | R | 30 | Very low | 28.8 | Very low | 207 Ų | 207 | 147.6 Ų | 147.6 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 62.7 | 105.1 | 159.9 | -66.5 | -179.3 | 171.3 | 125.5 | -0.9 | 117.9 | ||||
| 996 | N | 27.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | -166.1 | 106.4 | 102.8 | -92.9 | -30 | 0 | 0 | 0 | 113.1 | |||||
| 997 | N | 31.6 | Very low | 28.5 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -167 | 130.4 | 146.7 | -90.5 | -27.4 | 0 | 0 | 0 | 105.4 | ||||
| 998 | S | 29.6 | Very low | 28.3 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | 67.5 | 79.8 | 60.3 | -164.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 999 | V | 27 | Very low | 28.3 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 79.8 | 134 | 77.9 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1000 | C | 29.5 | Very low | 28.4 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 71 | 133.2 | -165.8 | -62.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1001 | G | 25.2 | Very low | 28.7 | Very low | 52 Ų | 52 | 137.8 Ų | 137.8 | 54% | 0.536 | 77% | 0.768 | S | S | . | * | cis | 145.7 | 94.6 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q418 | Q418-G1001 PolarHBondContact NE2-O 2.66Š| ||
| 1002 | S | 30.6 | Very low | 28.8 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 46% | 0.462 | 76% | 0.762 | S | S | . | * | trans | -179.8 | 100.1 | 158.1 | -81.3 | 0 | 0 | 0 | 0 | 106.8 | K421 | K421-S1002 PolarHBondContact NZ-OG 3.28Š| ||
| 1003 | T | 27.4 | Very low | 29.1 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | 67.8 | 85 | 60.3 | -45.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1004 | I | 27.5 | Very low | 29.3 | Very low | 168 Ų | 168 | 133 Ų | 133 | 86% | 0.862 | 74% | 0.735 | S | S | * | * | trans | -121.1 | 144.6 | 148.1 | -70.2 | -175 | 0 | 0 | 0 | 108.6 | ||||
| 1005 | K | 26 | Very low | 29.4 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | -50.5 | 134.9 | -173.5 | -54.5 | 160.5 | 179.8 | 175 | 0 | 114.6 | ||||
| 1006 | T | 25.9 | Very low | 29.5 | Very low | 145 Ų | 145 | 126 Ų | 126 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | -132.4 | 144.5 | 128 | 51.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1007 | G | 28.4 | Very low | 29.6 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | trans | -167.6 | 45.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1008 | L | 30.5 | Very low | 29.5 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | trans | -139.8 | 114.9 | 163.6 | -76.8 | 177.3 | 0 | 0 | 0 | 108.1 | ||||
| 1009 | N | 27.7 | Very low | 29.4 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | -148 | 152.9 | 150.8 | -153 | 6.3 | 0 | 0 | 0 | 112 | ||||
| 1010 | S | 31.7 | Very low | 29.4 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | -79.2 | 172 | 179.9 | -47.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1011 | N | 30.5 | Very low | 29.4 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | -176.8 | 151.1 | 149.9 | -95.1 | -29.6 | 0 | 0 | 0 | 110.1 | ||||
| 1012 | N | 33 | Very low | 29.6 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | cis | -171.8 | -175.5 | -23.3 | -150.9 | -38.4 | 0 | 0 | 0 | 109.5 | ||||
| 1013 | H | 33.2 | Very low | 29.4 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | trans | 83.1 | 143.3 | 150.6 | -61.9 | -28.2 | 0 | 0 | 0 | 119.4 | ||||
| 1014 | N | 33.4 | Very low | 29.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 60% | 0.599 | 76% | 0.76 | S | S | * | * | cis | -168.4 | 160.6 | -7.3 | -114.2 | -3.2 | 0 | 0 | 0 | 116.7 | ||||
| 1015 | N | 31.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | trans | 86 | 140 | 139.2 | -70.2 | -5.2 | 0 | 0 | 0 | 125.8 | ||||
| 1016 | N | 31.3 | Very low | 29.7 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 79.7 | 147.2 | 150.6 | -64.6 | -9.1 | 0 | 0 | 0 | 121 | ||||
| 1017 | S | 30 | Very low | 30 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | -172.2 | 144.9 | -22.1 | -169.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1018 | L | 30.8 | Very low | 29.9 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | 68.3 | 178.1 | 154.6 | -108.3 | 71.4 | 0 | 0 | 0 | 123.2 | ||||
| 1019 | I | 26.1 | Very low | 29.9 | Very low | 144 Ų | 144 | 134 Ų | 134 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -144.9 | 158.9 | -144.1 | -74 | 171.4 | 0 | 0 | 0 | 113.4 | ||||
| 1020 | T | 27 | Very low | 29.8 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 69 | 122.8 | 163.8 | 39.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1021 | S | 30.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | -173.4 | 159.8 | 116.6 | -77.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1022 | N | 28.7 | Very low | 30.3 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -120 | 179.7 | -171.1 | -90.1 | -6.5 | 0 | 0 | 0 | 113.7 | ||||
| 1023 | V | 27.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | 109.1 | 151.1 | 149 | -168 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1024 | I | 29.4 | Very low | 30 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 102.6 | 71.9 | 170.7 | -46.8 | -177.4 | 0 | 0 | 0 | 117.4 | ||||
| 1025 | E | 26.6 | Very low | 29.7 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | 41.9 | 150.5 | 116.7 | -60.2 | -170.8 | 129.7 | 0 | 0 | 125.5 | |||||
| 1026 | S | 29.8 | Very low | 29.5 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 84.2 | 143.6 | 155.8 | 82.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1027 | S | 32.8 | Very low | 29.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -147.2 | 165.1 | 10.3 | 48 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1028 | N | 26.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -90.7 | 158.2 | 178.5 | -61.9 | -50 | 0 | 0 | 0 | 112.8 | ||||
| 1029 | S | 29.4 | Very low | 29.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | 172.5 | 166.1 | 120.1 | 45.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1030 | T | 26.6 | Very low | 29.3 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -131.5 | -143.9 | -173.3 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1031 | P | 43.6 | Very low | 29.4 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | -121.8 | -174.4 | -63.9 | 35.2 | -19 | 0 | 0 | 0 | 113.1 | |||||
| 1032 | S | 29.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -170.5 | 123.2 | 142.9 | -87.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1033 | V | 29.4 | Very low | 29.5 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | 77.8 | 120.1 | 80.3 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1034 | V | 29 | Very low | 29.6 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | -152.6 | 151.8 | 84 | 160.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1035 | Q | 26.8 | Very low | 29.7 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -95.8 | -175.1 | 176 | -54.4 | 167.2 | -77.4 | 0 | 0 | 111 | ||||
| 1036 | T | 27.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 57% | 0.571 | 78% | 0.781 | S | S | * | * | cis | 178.4 | 163.9 | 40.7 | -17.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1037 | F | 28.7 | Very low | 30.2 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | 79.3 | 167.5 | 151.4 | -64.2 | -48 | 0 | 0 | 0 | 122.8 | ||||
| 1038 | K | 26.4 | Very low | 29.9 | Very low | 186 Ų | 186 | 136 Ų | 136 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | trans | -124.7 | 167.2 | -156.3 | -49 | 174.8 | 170.5 | -167.9 | 0 | 113.6 | ||||
| 1039 | A | 31.2 | Very low | 30.1 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -163.8 | 163.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1040 | D | 27.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | -126.9 | 169.6 | -169 | -56.3 | -81.1 | 0 | 0 | 0 | 113.7 | ||||
| 1041 | D | 29.2 | Very low | 30.3 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | 78.3 | 157.7 | 154.6 | -67.8 | -37.1 | 0 | 0 | 0 | 124.7 | ||||
| 1042 | I | 30.9 | Very low | 29.4 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 82% | 0.821 | 77% | 0.768 | S | S | * | * | trans | 82.8 | 132.6 | 160.6 | -50.4 | -168.9 | 0 | 0 | 0 | 118.7 | ||||
| 1043 | V | 30.7 | Very low | 29.4 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -169.2 | 148.1 | -34.1 | 109.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1044 | T | 30.9 | Very low | 29.2 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | trans | 23.5 | 132.4 | 163.9 | 67.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1045 | N | 31.3 | Very low | 29.2 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | 171.5 | 147.8 | 100.6 | -89.1 | -51.3 | 0 | 0 | 0 | 115.5 | |||||
| 1046 | H | 27.3 | Very low | 29.1 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | -94.4 | 176.5 | 165.3 | -110.8 | -58.3 | 0 | 0 | 0 | 109.6 | ||||
| 1047 | P | 38.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | cis | -147.1 | 165.8 | 34.6 | 41 | -19.1 | 0 | 0 | 0 | 120.2 | ||||
| 1048 | T | 27.3 | Very low | 29.1 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | 24.8 | 136.1 | 135.3 | -40.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1049 | I | 30.2 | Very low | 29.2 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | -176.7 | 121 | 120.5 | -94.2 | 163 | 0 | 0 | 0 | 114.5 | |||||
| 1050 | T | 28.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 21 | 138.9 | 155 | 67.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1051 | A | 30.7 | Very low | 29.4 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | 152 | 110.6 | 102.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1052 | D | 24.3 | Very low | 29.5 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | 29.3 | 160.2 | 141.4 | -68.3 | -32.5 | 0 | 0 | 0 | 127.1 | ||||
| 1053 | A | 30.4 | Very low | 29.6 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | 95.8 | 87.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1054 | S | 25.7 | Very low | 29.7 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | 47.2 | 121.4 | 100.7 | -178.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1055 | Y | 28.8 | Very low | 29.8 | Very low | 211 Ų | 211 | 137.1 Ų | 137.1 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | 75.5 | 98.8 | 152 | -89.1 | -109.2 | 0 | 0 | 0 | 121.6 | ||||
| 1056 | D | 25.5 | Very low | 29.6 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | 87 | 148.2 | 109.5 | -149.2 | 14.9 | 0 | 0 | 0 | 123.2 | |||||
| 1057 | N | 27.2 | Very low | 29.7 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | trans | 72.5 | 94.5 | 162 | -81.2 | -62.2 | 0 | 0 | 0 | 124.4 | ||||
| 1058 | S | 27.2 | Very low | 29.2 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | 109.7 | 147.2 | 103.2 | 79.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1059 | K | 29.9 | Very low | 29.3 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 70.9 | 147.8 | 164 | -83.3 | 178.8 | 171.2 | 179.7 | 0 | 118.6 | ||||
| 1060 | T | 32.7 | Very low | 29.4 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | cis | -147.6 | 150.3 | 8.4 | 2.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1061 | D | 29.1 | Very low | 29.2 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 44.2 | 137.4 | 145.1 | -44.7 | -23.1 | 0 | 0 | 0 | 120 | ||||
| 1062 | L | 32.1 | Very low | 29.1 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -154.5 | 179.1 | 33.4 | -63.7 | 160.7 | 0 | 0 | 0 | 108.2 | ||||
| 1063 | I | 31.8 | Very low | 29.1 | Very low | 129 Ų | 129 | 144 Ų | 144 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -162.4 | 158.3 | -2.2 | -129 | 170.4 | 0 | 0 | 0 | 110.5 | ||||
| 1064 | I | 33.2 | Very low | 29 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 68% | 0.677 | 77% | 0.765 | S | S | * | * | trans | 30.9 | 120.1 | 154.3 | -57.9 | 165.3 | 0 | 0 | 0 | 118.2 | ||||
| 1065 | K | 32.6 | Very low | 29 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | -164.9 | 149.7 | 59.9 | -142.4 | 153.2 | -166.2 | 173.6 | 0 | 112.8 | |||||
| 1066 | H | 27.7 | Very low | 29 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -100.8 | 144.8 | -176.8 | -79.6 | -127 | 0 | 0 | 0 | 115.6 | ||||
| 1067 | K | 29.8 | Very low | 29 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | -176.4 | 111.3 | 128.8 | -109.5 | -173.9 | 170.5 | -172.5 | 0 | 108.5 | |||||
| 1068 | E | 28.2 | Very low | 29 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | 68.8 | 100.1 | 63.1 | -66 | -171.8 | 157 | 0 | 0 | 115.5 | |||||
| 1069 | S | 28.6 | Very low | 29.1 | Very low | 112 Ų | 112 | 152 Ų | 152 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 166.4 | 152.2 | -44.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1070 | P | 33 | Very low | 29 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | -150.2 | 170.5 | 94.3 | 39.1 | -22 | 0 | 0 | 0 | 116.3 | |||||
| 1071 | S | 24.3 | Very low | 28.8 | Very low | 113 Ų | 113 | 159 Ų | 159 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -67 | 156.8 | -177.6 | -20.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1072 | R | 28.1 | Very low | 28.7 | Very low | 253 Ų | 253 | 160.7 Ų | 160.7 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | trans | -160.9 | 167.8 | 136.7 | -114.3 | 164.3 | -172.8 | 164 | 4.1 | 113.8 | ||||
| 1073 | S | 24.4 | Very low | 28.4 | Very low | 105 Ų | 105 | 158.6 Ų | 158.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -97.9 | 166.1 | -160.6 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1074 | L | 29.3 | Very low | 28.1 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -4.8 | 137.4 | 150.2 | -56.8 | 169.6 | 0 | 0 | 0 | 117.2 | ||||
| 1075 | D | 26.4 | Very low | 27.8 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | -156.8 | 168.7 | 116.8 | -135.2 | -31.6 | 0 | 0 | 0 | 113.2 | |||||
| 1076 | L | 26.8 | Very low | 27.8 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -105.9 | 177.6 | -178.7 | -144.6 | 90.8 | 0 | 0 | 0 | 112.5 | ||||
| 1077 | V | 26.8 | Very low | 28 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 112.7 | 126.4 | 160.9 | -178 | 0 | 0 | 0 | 0 | 117 | ||||
| 1078 | S | 27.2 | Very low | 28.7 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -78 | 157.9 | -179.8 | -39.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1079 | F | 29.1 | Very low | 28.7 | Very low | 207 Ų | 207 | 147.3 Ų | 147.3 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | -149.8 | 170.5 | 141.5 | -117.3 | -79.4 | 0 | 0 | 0 | 113.7 | ||||
| 1080 | R | 28.3 | Very low | 28.9 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -99.9 | 142.4 | -165.7 | -63.5 | 177.1 | 171.6 | -174.2 | -2.3 | 114.4 | ||||
| 1081 | R | 27.4 | Very low | 28.9 | Very low | 211 Ų | 211 | 145.8 Ų | 145.8 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | 33 | 127.6 | 135.2 | 175.2 | -172.3 | -86.9 | -175.1 | -5.7 | 119 | ||||
| 1082 | F | 27.1 | Very low | 29.3 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | -174.6 | 126.5 | 114.9 | -104.9 | -72 | 0 | 0 | 0 | 115.9 | |||||
| 1083 | T | 26.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | 43.9 | 115.7 | 146.8 | 47.1 | 0 | 0 | 0 | 0 | 126 | ||||
| 1084 | S | 24.5 | Very low | 29.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | 81.6 | 153.8 | 113.9 | -55.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1085 | T | 28.9 | Very low | 30 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 104.6 | 126 | 152 | -46.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1086 | T | 31.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | cis | -172 | 172.1 | -19.6 | 32.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1087 | I | 32.9 | Very low | 30.6 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | trans | 86.7 | 146 | 139.2 | -96.3 | 161 | 0 | 0 | 0 | 119.8 | ||||
| 1088 | P | 43.5 | Very low | 30.7 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | cis | -136.2 | 162 | -17.4 | 39 | -22 | 0 | 0 | 0 | 117.9 | ||||
| 1089 | D | 28 | Very low | 30.9 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | 36.7 | 144.4 | 137.5 | -47 | -25.2 | 0 | 0 | 0 | 122.6 | ||||
| 1090 | S | 33.7 | Very low | 30.8 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | cis | -163.8 | 175 | 34.9 | -117 | 0 | 0 | 0 | 0 | 111 | ||||
| 1091 | S | 32 | Very low | 30.9 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | cis | -177.7 | 172.4 | -30.8 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1092 | S | 32.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 72 | 143.2 | 174 | -126.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1093 | N | 30.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | cis | -157.8 | 146.9 | 3.5 | -153.6 | -1.8 | 0 | 0 | 0 | 112.8 | ||||
| 1094 | N | 32.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | trans | 58.9 | 147.6 | 159.7 | -65.9 | -30.2 | 0 | 0 | 0 | 120.3 | ||||
| 1095 | N | 33 | Very low | 30.8 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | cis | -162.2 | 164.7 | -14 | -115.8 | -22.5 | 0 | 0 | 0 | 113 | ||||
| 1096 | N | 35.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | 75.2 | 101.7 | 160 | -59.7 | -23.3 | 0 | 0 | 0 | 121.2 | ||||
| 1097 | N | 30.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 124 Ų | 124 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | 29.7 | 133.7 | 122.5 | -47.1 | -29.2 | 0 | 0 | 0 | 118.8 | |||||
| 1098 | G | 29.8 | Very low | 30 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | 139.4 | 151.1 | 23.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1099 | K | 30.9 | Very low | 29.1 | Very low | 187 Ų | 187 | 123.6 Ų | 123.6 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | 174.3 | 116.9 | 61.8 | 174.8 | -174.9 | 179.1 | 179.7 | 0 | 112.6 | |||||
| 1100 | I | 27.4 | Very low | 28.9 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 65% | 0.651 | 75% | 0.746 | S | S | * | * | trans | 68.6 | 151.8 | 148.4 | -49.1 | 170 | 0 | 0 | 0 | 119.6 | ||||
| 1101 | H | 29.3 | Very low | 28.5 | Very low | 163 Ų | 163 | 122 Ų | 122 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 83.8 | 151.3 | 171 | -66.1 | -63.5 | 0 | 0 | 0 | 118 | ||||
| 1102 | T | 23.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | 170.8 | 136.1 | -53.5 | 36.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1103 | G | 28 | Very low | 27.8 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | 117 | 135.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1104 | T | 23.3 | Very low | 27.5 | Very low | 144 Ų | 144 | 121.5 Ų | 121.5 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | cis | 97.5 | 74.2 | 4.4 | -40.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1105 | S | 29.6 | Very low | 27.1 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -170 | 150.7 | 148.1 | 49.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1106 | N | 25.1 | Very low | 26.8 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | cis | 82.7 | 137.8 | 25.6 | -67.2 | 2.8 | 0 | 0 | 0 | 115.5 | ||||
| 1107 | G | 26.5 | Very low | 26.3 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | 107.6 | 116.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1108 | T | 24.3 | Very low | 26.1 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | cis | 61.6 | 130.1 | 10.3 | 61 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1109 | T | 25 | Very low | 25.9 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | cis | -164.8 | 149.7 | 3.9 | 1.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1110 | S | 23.7 | Very low | 25.6 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | 60 | 178.9 | 154.5 | -89.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1111 | V | 25.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 124 Ų | 124 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | cis | -144.8 | 165.9 | 5.6 | -130.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1112 | N | 24.5 | Very low | 25.3 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | 62.9 | 154.4 | 147.2 | -66.1 | 2 | 0 | 0 | 0 | 120.6 | ||||
| 1113 | S | 24.4 | Very low | 25.3 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | cis | -149 | 161.9 | -17.2 | -107.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1114 | S | 24.5 | Very low | 25.1 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | trans | -72.2 | 165.9 | 167.1 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1115 | E | 25.9 | Very low | 25.2 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | -161.2 | 132.4 | 119.6 | -108.9 | -178.9 | -154.6 | 0 | 0 | 113.4 | |||||
| 1116 | N | 25.4 | Very low | 25 | Very low | 123 Ų | 123 | 125 Ų | 125 | 66% | 0.658 | 70% | 0.698 | S | S | * | * | trans | 37.2 | 130.7 | 140.6 | -54.1 | -20.6 | 0 | 0 | 0 | 119.5 | ||||
| 1117 | N | 25.3 | Very low | 25.3 | Very low | 114 Ų | 114 | 125 Ų | 125 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | -166.7 | 155 | 59.4 | -121.2 | -49.3 | 0 | 0 | 0 | 115.6 | |||||
| 1118 | R | 26.1 | Very low | 25.3 | Very low | 206 Ų | 206 | 127.4 Ų | 127.4 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | trans | 74.2 | 138.7 | 143 | -81.4 | 156.4 | -160.5 | 162.9 | 5.8 | 123.8 | ||||
| 1119 | N | 27 | Very low | 25.6 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | trans | 72.1 | 93 | 149.9 | -63 | 20.1 | 0 | 0 | 0 | 119.5 | ||||
| 1120 | S | 23.5 | Very low | 25.5 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | -60.2 | 142.7 | 128.4 | 49.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 1121 | F | 23.4 | Very low | 25.7 | Very low | 130 Ų | 130 | 130 Ų | 130 | 57% | 0.57 | 72% | 0.717 | S | S | * | * | trans | -129.6 | 152.8 | 155.5 | -175.7 | -107 | 0 | 0 | 0 | 108.3 | ||||
| 1122 | I | 26 | Very low | 26 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | trans | -106.4 | 139.1 | -174 | -64.9 | 171.5 | 0 | 0 | 0 | 109.2 | ||||
| 1123 | Q | 25.3 | Very low | 26 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | trans | -150.9 | 132 | 153.1 | -124.8 | 159.7 | 0.7 | 0 | 0 | 106.3 | ||||
| 1124 | E | 22.6 | Very low | 26.4 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | cis | 60.8 | 133.2 | 48.9 | -64.2 | -174.6 | 160.7 | 0 | 0 | 112.6 | ||||
| 1125 | S | 26.6 | Very low | 26.4 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | cis | -160.6 | 172.6 | -9.3 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1126 | D | 24.6 | Very low | 26.7 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 67.9 | 165.2 | 155.7 | -54.6 | -42.3 | 0 | 0 | 0 | 117.3 | ||||
| 1127 | I | 31.5 | Very low | 26.8 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | cis | -140.1 | 150.1 | 27.4 | -58.3 | 158.6 | 0 | 0 | 0 | 112.4 | ||||
| 1128 | S | 25.4 | Very low | 27.2 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -73.9 | 158.6 | -175.3 | -38.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1129 | A | 30.7 | Very low | 27.5 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -147.4 | 117.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1130 | T | 24.5 | Very low | 27.7 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -61.6 | 149.2 | -176.4 | -40 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1131 | I | 27.6 | Very low | 28.1 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 89% | 0.892 | 75% | 0.75 | S | S | * | * | 167.4 | 134.1 | 124.7 | -85.8 | 157.6 | 0 | 0 | 0 | 111.6 | |||||
| 1132 | G | 30.3 | Very low | 28.4 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | 158.1 | 105.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1133 | T | 25.7 | Very low | 28.6 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -127.5 | 129.5 | -174 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1134 | A | 32.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | trans | -159.2 | 144.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1135 | D | 25.2 | Very low | 29 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -65.8 | 148.3 | -176.5 | -99.8 | -56.5 | 0 | 0 | 0 | 116.4 | ||||
| 1136 | A | 32.2 | Very low | 29 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | -167.7 | 150.8 | 125.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1137 | T | 27.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -110.9 | 152.4 | -172.2 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1138 | V | 33.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 127 Ų | 127 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -167.8 | 148.8 | 139.2 | 135.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1139 | N | 31.2 | Very low | 29.9 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -69 | 175.3 | -179.6 | -74.3 | 38.2 | 0 | 0 | 0 | 114.5 | ||||
| 1140 | D | 31 | Very low | 29.7 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | cis | -153.1 | -171.7 | 7.1 | -135.4 | -53.4 | 0 | 0 | 0 | 113.9 | ||||
| 1141 | N | 31.7 | Very low | 29.8 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 49% | 0.487 | 78% | 0.777 | S | S | . | * | trans | -81.3 | 151.4 | -170.6 | -64.8 | -101.8 | 0 | 0 | 0 | 117.3 | K523 | K523-N1141 PolarHBondContact NZ-OD1 2.93Š| ||
| 1142 | L | 31.4 | Very low | 30 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | -172 | 99.3 | 127.7 | -125.7 | 67.7 | 0 | 0 | 0 | 110.1 | |||||
| 1143 | L | 29.9 | Very low | 29.9 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | 76.5 | 131 | 87.6 | -70.6 | 175.9 | 0 | 0 | 0 | 117.1 | |||||
| 1144 | S | 24.6 | Very low | 30 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -93.2 | 158.7 | 175.4 | -42.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1145 | I | 30.7 | Very low | 29.8 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -130.4 | 137.3 | 158.1 | -62.1 | -179.7 | 0 | 0 | 0 | 108.9 | ||||
| 1146 | N | 26.9 | Very low | 29.9 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -145.7 | 166.2 | 178.8 | -95.4 | -10.7 | 0 | 0 | 0 | 107.4 | ||||
| 1147 | P | 40.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -136.6 | 177.8 | -42.1 | 39.6 | -24.4 | 0 | 0 | 0 | 111.5 | ||||
| 1148 | T | 28.8 | Very low | 29.8 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -137.5 | 138.6 | 157 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1149 | Q | 29.8 | Very low | 29.6 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -79.8 | 148.1 | 173.4 | -63.3 | 173.7 | -94.9 | 0 | 0 | 110.6 | ||||
| 1150 | D | 27.1 | Very low | 29.4 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -140.2 | 142.1 | 138.5 | -107.9 | -40.4 | 0 | 0 | 0 | 109.2 | ||||
| 1151 | H | 27.7 | Very low | 29.2 | Very low | 149 Ų | 149 | 138 Ų | 138 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | -106.1 | 112.3 | 179.7 | -86.9 | -83.2 | 0 | 0 | 0 | 110 | ||||
| 1152 | H | 32.1 | Very low | 29.1 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | -142.1 | 136.9 | 147 | -87.5 | -64 | 0 | 0 | 0 | 111.4 | ||||
| 1153 | S | 27 | Very low | 29.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -80.3 | 134.7 | 178.7 | 50.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1154 | N | 27.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -157.3 | 146.6 | 136.6 | -109.5 | -24.1 | 0 | 0 | 0 | 114.2 | ||||
| 1155 | T | 28.1 | Very low | 29.7 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | -41.9 | 126.8 | 172 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1156 | S | 28.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | -146.6 | 135 | 156.1 | -81.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1157 | T | 31.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -74.4 | 131.1 | -169 | 46.1 | 0 | 0 | 0 | 0 | 112.4 | F1159 | T1157-F1159 PolarHBondContact O-N 2.93Š| ||
| 1158 | S | 26.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -59.5 | 120.7 | 151.3 | 175.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1159 | F | 28.5 | Very low | 33 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 79% | 0.789 | 71% | 0.713 | S | S | * | * | trans | -167.9 | 73.7 | 147.2 | -91.6 | -56.1 | 0 | 0 | 0 | 109.8 | T1157 S1161 | T1157-F1159 PolarHBondContact O-N 2.93Å; F1159-S1161 VanDerWaalsContact C-N 3.25Å; F1159-S1161 PolarHBondContact O-N 2.76Å; F1159-S1161 VanDerWaalsContact O-N 3.07Å | ||
| 1160 | H | 26.6 | Very low | 35.2 | Very low | 165 Ų | 165 | 128 Ų | 128 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | trans | -84.6 | 61.9 | 176.7 | -162.5 | -71.7 | 0 | 0 | 0 | 111.5 | S1162 | H1160-S1162 VanDerWaalsContact C-N 3.27Å; H1160-S1162 PolarHBondContact O-N 3.04Å; H1160-S1162 VanDerWaalsContact O-N 3.07Å | ||
| 1161 | S | 27.8 | Very low | 37.9 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | -85.6 | 50.2 | -173.7 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | F1159 | F1159-S1161 VanDerWaalsContact C-N 3.25Å; F1159-S1161 PolarHBondContact O-N 2.76Å; F1159-S1161 VanDerWaalsContact O-N 3.07Å | ||
| 1162 | S | 30.1 | Very low | 40.5 | Very low | 52 Ų | 52 | 118.8 Ų | 118.8 | 36% | 0.364 | 63% | 0.634 | S | S | . | * | trans | -123.2 | 47.9 | -176.5 | -71.1 | 0 | 0 | 0 | 0 | 112.7 | E590 H1160 | E590-S1162 VanDerWaalsContact OE1-CB 3.29Å; E590-S1162 WeakPolarHBondContact OE1-CB 3.35Å; H1160-S1162 VanDerWaalsContact C-N 3.27Å; H1160-S1162 PolarHBondContact O-N 3.04Å; H1160-S1162 VanDerWaalsContact O-N 3.07Å | ||
| 1163 | I | 32 | Very low | 42.8 | Very low | 156 Ų | 156 | 112 Ų | 112 | 80% | 0.8 | 60% | 0.603 | S | S | * | * | trans | -144.3 | 73.2 | 164.9 | -50.2 | 179.8 | 0 | 0 | 0 | 108.7 | ||||
| 1164 | H | 31.9 | Very low | 45.6 | Very low | 154 Ų | 154 | 107.7 Ų | 107.7 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | trans | -151.8 | 43.8 | 171.8 | -146.1 | -82.3 | 0 | 0 | 0 | 116.2 | W1167 | H1164-W1167 PolarHBondContact CE1-O 3.17Å; H1164-W1167 VanDerWaalsContact CE1-O 3.25Å | ||
| 1165 | Q | 33.5 | Very low | 48.5 | Very low | 105 Ų | 105 | 100.9 Ų | 100.9 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -96 | 0 | -178.2 | -131.3 | -173.8 | -19.2 | 0 | 0 | 115.2 | E593 | E593-Q1165 VanDerWaalsContact CB-NE2 3.34Å; E593-Q1165 PolarHBondContact OE2-NE2 3.23Å |
| 1166 | V | 35.6 | Very low | 51 | Low | 118 Ų | 118 | 101.3 Ų | 101.3 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -112.3 | -22.1 | -166.4 | -176 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1167 | W | 34.6 | Very low | 53.5 | Low | 192 Ų | 192 | 101.2 Ų | 101.2 | 73% | 0.727 | 51% | 0.514 | S | S | * | . | trans | -133.8 | 80.3 | -175.8 | -63.4 | 99.4 | 0 | 0 | 0 | 113 | H1164 D1169 | H1164-W1167 PolarHBondContact CE1-O 3.17Å; H1164-W1167 VanDerWaalsContact CE1-O 3.25Å; W1167-D1169 PolarHBondContact O-N 3.01Å | ||
| 1168 | Q | 52.7 | Low | 55.8 | Low | 148 Ų | 148 | 97.3 Ų | 97.3 | 69% | 0.692 | 49% | 0.49 | S | S | * | . | trans | -63.2 | 130.2 | 159.9 | -66.4 | -171.5 | 8.2 | 0 | 0 | 108.7 | P1170 | Q1168-P1170 WeakPolarHBondContact O-CD 3.42Å; Q1168-P1170 VanDerWaalsContact O-N 3.15Å | ||
| 1169 | D | 74.6 | Confident | 58.3 | Low | 49 Ų | 49 | 95.1 Ų | 95.1 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | trans | -64.4 | 116 | 176.6 | 175.5 | 27.2 | 0 | 0 | 0 | 109.6 | W1167 L1171 Q1172 E1173 K1183 R1288 | W1167-D1169 PolarHBondContact O-N 3.01Å; D1169-L1171 PolarHBondContact O-N 3.24Å; D1169-L1171 VanDerWaalsContact O-N 3.08Å; D1169-Q1172 HydrophobicContact CB-CB 4.29Å; D1169-Q1172 WeakPolarHBondContact O-CA 3.43Å; D1169-Q1172 VanDerWaalsContact O-CB 3.25Å; D1169-Q1172 WeakPolarHBondContact O-CB 3.46Å; D1169-Q1172 PolarHBondContact O-N 3.08Å; D1169-E1173 PolarHBondContact O-N 3.48Å; D1169-K1183 VanDerWaalsContact OD2-CE 3.29Å; D1169-K1183 WeakPolarHBondContact OD2-CE 3.07Å; D1169-K1183 IonicContact OD2-NZ 3.95Å; D1169-K1183 PolarHBondContact OD2-NZ 2.92Å; D1169-R1288 IonicContact OD1-NH2 3.9Å; D1169-R1288 PolarHBondContact OD1-NH2 2.97Å | ||
| 1170 | P | 75.9 | Confident | 60.6 | Low | 16 Ų | 16 | 87 Ų | 87 | 10% | 0.104 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.9 | -24.1 | -170.5 | -25 | 36.7 | 0 | 0 | 0 | 113.7 | Q1168 Q1172 E1173 L1174 Y1287 R1288 V1292 | Q1168-P1170 WeakPolarHBondContact O-CD 3.42Å; Q1168-P1170 VanDerWaalsContact O-N 3.15Å; P1170-Q1172 VanDerWaalsContact C-N 3.31Å; P1170-E1173 PolarHBondContact O-N 2.99Å; P1170-L1174 WeakPolarHBondContact O-CB 3.26Å; P1170-L1174 PolarHBondContact O-N 3.08Å; P1170-Y1287 HydrophobicContact CB-CE1 3.83Å; P1170-R1288 HydrophobicContact CG-CG 4.43Å; P1170-V1292 HydrophobicContact CB-CB 4.4Å; P1170-V1292 HydrophobicContact CB-CG1 4.07Å; P1170-V1292 HydrophobicContact CB-CG2 3.45Å; P1170-V1292 VanDerWaalsContact CB-CG2 3.45Å; P1170-V1292 HydrophobicContact CG-CB 4.34Å; P1170-V1292 HydrophobicContact CG-CG1 3.67Å; P1170-V1292 HydrophobicContact CG-CG2 3.87Å |
| 1171 | L | 83.3 | Confident | 63 | Low | 14 Ų | 14 | 82.4 Ų | 82.4 | 7% | 0.073 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -70 | -26.3 | 172.8 | -67.9 | -178.6 | 0 | 0 | 0 | 113.4 | D1169 L1174 A1175 K1183 L1187 M1280 T1284 Y1287 | D1169-L1171 PolarHBondContact O-N 3.24Å; D1169-L1171 VanDerWaalsContact O-N 3.08Å; L1171-L1174 HydrophobicContact CD2-CD2 4.37Å; L1171-A1175 WeakPolarHBondContact O-CB 3.34Å; L1171-A1175 PolarHBondContact O-N 3.19Å; L1171-K1183 HydrophobicContact CB-CB 4.04Å; L1171-K1183 HydrophobicContact CB-CD 4.04Å; L1171-K1183 HydrophobicContact CB-CG 4.05Å; L1171-L1187 HydrophobicContact CD2-CB 4.16Å; L1171-L1187 HydrophobicContact CD2-CD1 3.92Å; L1171-L1187 HydrophobicContact CD2-CD2 4.08Å; L1171-L1187 HydrophobicContact CD2-CG 4.29Å; L1171-M1280 HydrophobicContact CD1-CE 4.21Å; L1171-T1284 HydrophobicContact CD1-CG2 3.65Å; L1171-T1284 HydrophobicContact CD2-CG2 4.23Å; L1171-T1284 HydrophobicContact CG-CG2 3.97Å; L1171-Y1287 HydrophobicContact CD2-CD1 3.88Å; L1171-Y1287 HydrophobicContact CD2-CE1 4.19Å |
| 1172 | Q | 82.9 | Confident | 65.9 | Low | 109 Ų | 109 | 79.4 Ų | 79.4 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.2 | -43.4 | 175.1 | -172.7 | 61.9 | 27.3 | 0 | 0 | 110.4 | D1169 P1170 A1175 R1176 | D1169-Q1172 HydrophobicContact CB-CB 4.29Å; D1169-Q1172 WeakPolarHBondContact O-CA 3.43Å; D1169-Q1172 VanDerWaalsContact O-CB 3.25Å; D1169-Q1172 WeakPolarHBondContact O-CB 3.46Å; D1169-Q1172 PolarHBondContact O-N 3.08Å; P1170-Q1172 VanDerWaalsContact C-N 3.31Å; Q1172-A1175 WeakPolarHBondContact O-CB 3.48Å; Q1172-A1175 PolarHBondContact O-N 3.47Å; Q1172-R1176 PolarHBondContact O-N 3.22Å |
| 1173 | E | 80.5 | Confident | 68.7 | Low | 52 Ų | 52 | 80.7 Ų | 80.7 | 24% | 0.243 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 175.6 | 179.6 | 55.6 | -167.6 | 0 | 0 | 111.4 | D1169 P1170 A1175 R1176 L1177 | D1169-E1173 PolarHBondContact O-N 3.48Å; P1170-E1173 PolarHBondContact O-N 2.99Å; E1173-A1175 PolarHBondContact O-N 3.33Å; E1173-R1176 WeakPolarHBondContact O-CB 3.49Å; E1173-R1176 PolarHBondContact O-N 3.43Å; E1173-R1176 VanDerWaalsContact O-N 3.09Å; E1173-R1176 IonicContact OE1-CZ 3.52Å; E1173-R1176 IonicContact OE1-NE 2.69Å; E1173-R1176 PolarHBondContact OE1-NE 2.9Å; E1173-R1176 IonicContact OE1-NH2 2.67Å; E1173-R1176 PolarHBondContact OE1-NH2 3.02Å; E1173-R1176 IonicContact OE2-CZ 3.59Å; E1173-R1176 IonicContact OE2-NE 2.93Å; E1173-R1176 PolarHBondContact OE2-NE 2.65Å; E1173-R1176 IonicContact OE2-NH2 2.76Å; E1173-R1176 PolarHBondContact OE2-NH2 3.37Å; E1173-L1177 HydrophobicContact CG-CD1 3.93Å; E1173-L1177 HydrophobicContact CG-CG 4.28Å; E1173-L1177 WeakPolarHBondContact O-CG 2.89Å; E1173-L1177 PolarHBondContact O-N 2.86Å; E1173-L1177 WeakPolarHBondContact OE1-CD2 3.48Å; E1173-L1177 VanDerWaalsContact OE1-CG 3.31Å; E1173-L1177 WeakPolarHBondContact OE1-CG 3.43Å |
| 1174 | L | 84.8 | Confident | 71.6 | Confident | 14 Ų | 14 | 77.5 Ų | 77.5 | 7% | 0.073 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -55.9 | -39.8 | 170.8 | -171.1 | 66.2 | 0 | 0 | 0 | 111.8 | P1170 L1171 T1178 A1186 L1187 W1190 Y1287 | P1170-L1174 WeakPolarHBondContact O-CB 3.26Å; P1170-L1174 PolarHBondContact O-N 3.08Å; L1171-L1174 HydrophobicContact CD2-CD2 4.37Å; L1174-T1178 HydrophobicContact CD1-CG2 3.99Å; L1174-T1178 HydrophobicContact CG-CG2 4.31Å; L1174-T1178 VanDerWaalsContact O-CB 3.31Å; L1174-T1178 WeakPolarHBondContact O-CB 3.49Å; L1174-T1178 VanDerWaalsContact O-CG2 3.29Å; L1174-T1178 WeakPolarHBondContact O-CG2 3.46Å; L1174-T1178 PolarHBondContact O-N 2.8Å; L1174-T1178 PolarHBondContact O-OG1 3.33Å; L1174-A1186 HydrophobicContact CB-CB 4.36Å; L1174-A1186 HydrophobicContact CD2-CB 4.21Å; L1174-A1186 HydrophobicContact CG-CB 3.97Å; L1174-L1187 HydrophobicContact CD2-CB 4.35Å; L1174-L1187 HydrophobicContact CD2-CD1 4.1Å; L1174-W1190 HydrophobicContact CD1-CB 4.39Å; L1174-W1190 HydrophobicContact CD2-CB 4.03Å; L1174-W1190 HydrophobicContact CD2-CG 4.42Å; L1174-Y1287 HydrophobicContact CB-CE1 4.38Å; L1174-Y1287 HydrophobicContact CD1-CE2 4.01Å; L1174-Y1287 HydrophobicContact CD2-CD2 4.31Å; L1174-Y1287 HydrophobicContact CD2-CE1 4.15Å; L1174-Y1287 HydrophobicContact CD2-CE2 3.91Å; L1174-Y1287 HydrophobicContact CG-CE2 4.43Å |
| 1175 | A | 88 | Confident | 74.5 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 11% | 0.107 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.7 | -34.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1171 Q1172 E1173 G1179 A1180 A1186 | L1171-A1175 WeakPolarHBondContact O-CB 3.34Å; L1171-A1175 PolarHBondContact O-N 3.19Å; Q1172-A1175 WeakPolarHBondContact O-CB 3.48Å; Q1172-A1175 PolarHBondContact O-N 3.47Å; E1173-A1175 PolarHBondContact O-N 3.33Å; A1175-G1179 PolarHBondContact O-N 2.91Å; A1175-A1180 PolarHBondContact O-N 2.98Å; A1175-A1186 VanDerWaalsContact CA-CB 3.44Å; A1175-A1186 HydrophobicContact CB-CB 3.79Å |
| 1176 | R | 82.4 | Confident | 77.3 | Confident | 134 Ų | 134 | 68.6 Ų | 68.6 | 51% | 0.506 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -53 | 172.9 | -164.4 | -175.6 | 71.2 | 106.5 | 2.3 | 110.8 | T604 Q1172 E1173 T1178 G1179 | T604-R1176 PolarHBondContact OG1-NH1 3.1Å; Q1172-R1176 PolarHBondContact O-N 3.22Å; E1173-R1176 WeakPolarHBondContact O-CB 3.49Å; E1173-R1176 PolarHBondContact O-N 3.43Å; E1173-R1176 VanDerWaalsContact O-N 3.09Å; E1173-R1176 IonicContact OE1-CZ 3.52Å; E1173-R1176 IonicContact OE1-NE 2.69Å; E1173-R1176 PolarHBondContact OE1-NE 2.9Å; E1173-R1176 IonicContact OE1-NH2 2.67Å; E1173-R1176 PolarHBondContact OE1-NH2 3.02Å; E1173-R1176 IonicContact OE2-CZ 3.59Å; E1173-R1176 IonicContact OE2-NE 2.93Å; E1173-R1176 PolarHBondContact OE2-NE 2.65Å; E1173-R1176 IonicContact OE2-NH2 2.76Å; E1173-R1176 PolarHBondContact OE2-NH2 3.37Å; R1176-T1178 PolarHBondContact O-N 3.47Å; R1176-G1179 PolarHBondContact O-N 3.48Å |
| 1177 | L | 80.6 | Confident | 80.1 | Confident | 118 Ų | 118 | 63 Ų | 63 | 62% | 0.618 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | -178.8 | -67.9 | 172.4 | 0 | 0 | 0 | 113 | E1173 G1179 | E1173-L1177 HydrophobicContact CG-CD1 3.93Å; E1173-L1177 HydrophobicContact CG-CG 4.28Å; E1173-L1177 WeakPolarHBondContact O-CG 2.89Å; E1173-L1177 PolarHBondContact O-N 2.86Å; E1173-L1177 WeakPolarHBondContact OE1-CD2 3.48Å; E1173-L1177 VanDerWaalsContact OE1-CG 3.31Å; E1173-L1177 WeakPolarHBondContact OE1-CG 3.43Å; L1177-G1179 VanDerWaalsContact C-N 3.34Å |
| 1178 | T | 79.1 | Confident | 83 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.5 | -178.1 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | L1174 R1176 A1180 A1186 R1189 | L1174-T1178 HydrophobicContact CD1-CG2 3.99Å; L1174-T1178 HydrophobicContact CG-CG2 4.31Å; L1174-T1178 VanDerWaalsContact O-CB 3.31Å; L1174-T1178 WeakPolarHBondContact O-CB 3.49Å; L1174-T1178 VanDerWaalsContact O-CG2 3.29Å; L1174-T1178 WeakPolarHBondContact O-CG2 3.46Å; L1174-T1178 PolarHBondContact O-N 2.8Å; L1174-T1178 PolarHBondContact O-OG1 3.33Å; R1176-T1178 PolarHBondContact O-N 3.47Å; T1178-A1180 PolarHBondContact O-N 2.6Å; T1178-A1180 WeakPolarHBondContact OG1-CB 3.27Å; T1178-A1186 WeakPolarHBondContact OG1-CB 3.43Å; T1178-R1189 PolarHBondContact O-NH1 2.71Å |
| 1179 | G | 78.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 54 Ų | 54 | 61% | 0.608 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 40.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1175 R1176 L1177 R1189 | A1175-G1179 PolarHBondContact O-N 2.91Å; R1176-G1179 PolarHBondContact O-N 3.48Å; L1177-G1179 VanDerWaalsContact C-N 3.34Å; G1179-R1189 PolarHBondContact O-NH1 2.97Å; G1179-R1189 VanDerWaalsContact O-NH1 3.12Å |
| 1180 | A | 76.3 | Confident | 85.9 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | trans | -95.4 | -4.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1175 T1178 S1182 N1185 A1186 | A1175-A1180 PolarHBondContact O-N 2.98Å; T1178-A1180 PolarHBondContact O-N 2.6Å; T1178-A1180 WeakPolarHBondContact OG1-CB 3.27Å; A1180-S1182 PolarHBondContact O-N 2.93Å; A1180-N1185 HydrophobicContact CB-CB 3.8Å; A1180-N1185 VanDerWaalsContact O-CB 3.22Å; A1180-N1185 WeakPolarHBondContact O-CB 3.49Å; A1180-N1185 PolarHBondContact O-ND2 2.99Å; A1180-A1186 HydrophobicContact CB-CB 3.97Å | ||
| 1181 | G | 76.8 | Confident | 86.8 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 71.4 | -13.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1182 | S | 88.4 | Confident | 87.3 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -155.7 | 153.1 | 171 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | A1180 R1184 N1185 A1186 | A1180-S1182 PolarHBondContact O-N 2.93Å; S1182-R1184 PolarHBondContact O-N 3.21Å; S1182-N1185 PolarHBondContact O-N 3Å; S1182-N1185 VanDerWaalsContact O-N 3.13Å; S1182-N1185 WeakPolarHBondContact OG-CB 3.48Å; S1182-N1185 PolarHBondContact OG-N 3.3Å; S1182-N1185 PolarHBondContact OG-ND2 2.84Å; S1182-N1185 VanDerWaalsContact OG-ND2 3.16Å; S1182-A1186 WeakPolarHBondContact O-CB 3.44Å; S1182-A1186 PolarHBondContact O-N 3.44Å |
| 1183 | K | 90.2 | Very high | 87.8 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -50.5 | -40.4 | 172.7 | -63 | -176.6 | -175.9 | -174.9 | 0 | 112.5 | D1169 L1171 A1186 L1187 | D1169-K1183 VanDerWaalsContact OD2-CE 3.29Å; D1169-K1183 WeakPolarHBondContact OD2-CE 3.07Å; D1169-K1183 IonicContact OD2-NZ 3.95Å; D1169-K1183 PolarHBondContact OD2-NZ 2.92Å; L1171-K1183 HydrophobicContact CB-CB 4.04Å; L1171-K1183 HydrophobicContact CB-CD 4.04Å; L1171-K1183 HydrophobicContact CB-CG 4.05Å; K1183-A1186 WeakPolarHBondContact O-CB 3.45Å; K1183-A1186 PolarHBondContact O-N 3.03Å; K1183-L1187 PolarHBondContact O-N 2.96Å |
| 1184 | R | 93.3 | Very high | 88.4 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -50.3 | 176.9 | -172.6 | -176.5 | -170.6 | 132.1 | 13.4 | 112.2 | S1182 A1186 L1188 F1206 W1276 M1280 | S1182-R1184 PolarHBondContact O-N 3.21Å; R1184-A1186 VanDerWaalsContact C-N 3.26Å; R1184-A1186 PolarHBondContact O-N 3.33Å; R1184-L1188 WeakPolarHBondContact O-CB 3.49Å; R1184-L1188 PolarHBondContact O-N 3.42Å; R1184-F1206 HydrophobicContact CG-CD2 4.11Å; R1184-F1206 HydrophobicContact CG-CE2 3.91Å; R1184-W1276 VanDerWaalsContact NH1-CH2 3.29Å; R1184-M1280 HydrophobicContact CB-CE 4.49Å; R1184-M1280 HydrophobicContact CG-SD 4.18Å |
| 1185 | N | 92.5 | Very high | 88.7 | Confident | 72 Ų | 72 | 55 Ų | 55 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67 | -32.3 | -180 | -64.9 | -16.7 | 0 | 0 | 0 | 111.6 | A1180 S1182 L1188 R1189 | A1180-N1185 HydrophobicContact CB-CB 3.8Å; A1180-N1185 VanDerWaalsContact O-CB 3.22Å; A1180-N1185 WeakPolarHBondContact O-CB 3.49Å; A1180-N1185 PolarHBondContact O-ND2 2.99Å; S1182-N1185 PolarHBondContact O-N 3Å; S1182-N1185 VanDerWaalsContact O-N 3.13Å; S1182-N1185 WeakPolarHBondContact OG-CB 3.48Å; S1182-N1185 PolarHBondContact OG-N 3.3Å; S1182-N1185 PolarHBondContact OG-ND2 2.84Å; S1182-N1185 VanDerWaalsContact OG-ND2 3.16Å; N1185-L1188 PolarHBondContact O-N 3.48Å; N1185-R1189 WeakPolarHBondContact O-CB 3.46Å; N1185-R1189 WeakPolarHBondContact O-CG 3.25Å; N1185-R1189 PolarHBondContact O-N 3.42Å |
| 1186 | A | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -53.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1174 A1175 T1178 A1180 S1182 K1183 R1184 L1188 R1189 W1190 | L1174-A1186 HydrophobicContact CB-CB 4.36Å; L1174-A1186 HydrophobicContact CD2-CB 4.21Å; L1174-A1186 HydrophobicContact CG-CB 3.97Å; A1175-A1186 VanDerWaalsContact CA-CB 3.44Å; A1175-A1186 HydrophobicContact CB-CB 3.79Å; T1178-A1186 WeakPolarHBondContact OG1-CB 3.43Å; A1180-A1186 HydrophobicContact CB-CB 3.97Å; S1182-A1186 WeakPolarHBondContact O-CB 3.44Å; S1182-A1186 PolarHBondContact O-N 3.44Å; K1183-A1186 WeakPolarHBondContact O-CB 3.45Å; K1183-A1186 PolarHBondContact O-N 3.03Å; R1184-A1186 VanDerWaalsContact C-N 3.26Å; R1184-A1186 PolarHBondContact O-N 3.33Å; A1186-L1188 VanDerWaalsContact C-N 3.26Å; A1186-L1188 PolarHBondContact O-N 3.48Å; A1186-R1189 PolarHBondContact O-N 3.4Å; A1186-W1190 WeakPolarHBondContact O-CB 3.49Å; A1186-W1190 PolarHBondContact O-N 3.19Å |
| 1187 | L | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 176.4 | -167 | 64.8 | 0 | 0 | 0 | 111.9 | L1171 L1174 K1183 W1190 C1191 F1206 M1280 I1283 T1284 Y1287 | L1171-L1187 HydrophobicContact CD2-CB 4.16Å; L1171-L1187 HydrophobicContact CD2-CD1 3.92Å; L1171-L1187 HydrophobicContact CD2-CD2 4.08Å; L1171-L1187 HydrophobicContact CD2-CG 4.29Å; L1174-L1187 HydrophobicContact CD2-CB 4.35Å; L1174-L1187 HydrophobicContact CD2-CD1 4.1Å; K1183-L1187 PolarHBondContact O-N 2.96Å; L1187-W1190 HydrophobicContact CD1-CD2 4.2Å; L1187-W1190 HydrophobicContact CD1-CE3 3.55Å; L1187-W1190 HydrophobicContact CD1-CZ3 3.96Å; L1187-W1190 HydrophobicContact CG-CE3 4.36Å; L1187-W1190 WeakPolarHBondContact O-CB 3.34Å; L1187-W1190 PolarHBondContact O-N 2.94Å; L1187-C1191 PolarHBondContact O-N 2.6Å; L1187-C1191 PolarHBondContact O-SG 3.5Å; L1187-F1206 HydrophobicContact CB-CZ 4.01Å; L1187-F1206 HydrophobicContact CD2-CE1 4.34Å; L1187-F1206 HydrophobicContact CD2-CZ 4.17Å; L1187-F1206 HydrophobicContact CG-CE1 4.37Å; L1187-F1206 HydrophobicContact CG-CZ 4.02Å; L1187-M1280 HydrophobicContact CB-CE 3.99Å; L1187-M1280 HydrophobicContact CD2-CE 3.44Å; L1187-M1280 VanDerWaalsContact CD2-CE 3.44Å; L1187-M1280 HydrophobicContact CD2-SD 3.8Å; L1187-M1280 HydrophobicContact CG-CE 4.37Å; L1187-I1283 HydrophobicContact CD1-CG2 4.25Å; L1187-I1283 HydrophobicContact CD2-CB 4.41Å; L1187-I1283 HydrophobicContact CD2-CG2 3.9Å; L1187-I1283 HydrophobicContact CG-CG2 4.01Å; L1187-T1284 WeakPolarHBondContact CD2-OG1 3.33Å; L1187-Y1287 HydrophobicContact CD1-CD1 4.33Å; L1187-Y1287 HydrophobicContact CD1-CD2 4.3Å; L1187-Y1287 HydrophobicContact CD1-CG 3.84Å |
| 1188 | L | 95.1 | Very high | 89.6 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 175.8 | -172.2 | 67.4 | 0 | 0 | 0 | 111.6 | R1184 N1185 A1186 W1190 C1191 Q1192 V1203 F1206 | R1184-L1188 WeakPolarHBondContact O-CB 3.49Å; R1184-L1188 PolarHBondContact O-N 3.42Å; N1185-L1188 PolarHBondContact O-N 3.48Å; A1186-L1188 VanDerWaalsContact C-N 3.26Å; A1186-L1188 PolarHBondContact O-N 3.48Å; L1188-W1190 VanDerWaalsContact C-N 3.3Å; L1188-W1190 PolarHBondContact O-N 3.03Å; L1188-C1191 PolarHBondContact O-N 2.89Å; L1188-Q1192 WeakPolarHBondContact O-CB 3.48Å; L1188-Q1192 VanDerWaalsContact O-CG 3.25Å; L1188-Q1192 WeakPolarHBondContact O-CG 3.37Å; L1188-Q1192 PolarHBondContact O-N 3.36Å; L1188-V1203 HydrophobicContact CD1-CG1 3.8Å; L1188-F1206 HydrophobicContact CB-CE2 3.83Å; L1188-F1206 HydrophobicContact CB-CZ 3.95Å; L1188-F1206 HydrophobicContact CD1-CD2 4.42Å; L1188-F1206 HydrophobicContact CD1-CE2 4.03Å; L1188-F1206 HydrophobicContact CD1-CZ 4.13Å; L1188-F1206 HydrophobicContact CG-CE2 4.49Å |
| 1189 | R | 93 | Very high | 89.8 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 47% | 0.468 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 173.4 | -78.8 | -177.3 | 177 | 169.2 | 3.8 | 111.9 | T1178 G1179 N1185 A1186 Q1192 S1193 | T1178-R1189 PolarHBondContact O-NH1 2.71Å; G1179-R1189 PolarHBondContact O-NH1 2.97Å; G1179-R1189 VanDerWaalsContact O-NH1 3.12Å; N1185-R1189 WeakPolarHBondContact O-CB 3.46Å; N1185-R1189 WeakPolarHBondContact O-CG 3.25Å; N1185-R1189 PolarHBondContact O-N 3.42Å; A1186-R1189 PolarHBondContact O-N 3.4Å; R1189-Q1192 PolarHBondContact O-N 3.49Å; R1189-S1193 VanDerWaalsContact O-CB 3.3Å; R1189-S1193 WeakPolarHBondContact O-CB 3.48Å; R1189-S1193 PolarHBondContact O-N 2.92Å |
| 1190 | W | 93.8 | Very high | 90 | Very high | 14 Ų | 14 | 59 Ų | 59 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 174.3 | 172.2 | 83.9 | 0 | 0 | 0 | 111.9 | L1174 A1186 L1187 L1188 Q1192 S1193 R1194 L1219 Y1223 I1283 V1286 Y1287 E1291 | L1174-W1190 HydrophobicContact CD1-CB 4.39Å; L1174-W1190 HydrophobicContact CD2-CB 4.03Å; L1174-W1190 HydrophobicContact CD2-CG 4.42Å; A1186-W1190 WeakPolarHBondContact O-CB 3.49Å; A1186-W1190 PolarHBondContact O-N 3.19Å; L1187-W1190 HydrophobicContact CD1-CD2 4.2Å; L1187-W1190 HydrophobicContact CD1-CE3 3.55Å; L1187-W1190 HydrophobicContact CD1-CZ3 3.96Å; L1187-W1190 HydrophobicContact CG-CE3 4.36Å; L1187-W1190 WeakPolarHBondContact O-CB 3.34Å; L1187-W1190 PolarHBondContact O-N 2.94Å; L1188-W1190 VanDerWaalsContact C-N 3.3Å; L1188-W1190 PolarHBondContact O-N 3.03Å; W1190-Q1192 PolarHBondContact O-N 3.34Å; W1190-S1193 PolarHBondContact O-N 3.29Å; W1190-R1194 HydrophobicContact CD2-CG 4.47Å; W1190-R1194 HydrophobicContact CZ2-CG 4.49Å; W1190-R1194 WeakPolarHBondContact O-CG 3.5Å; W1190-R1194 PolarHBondContact O-N 3.01Å; W1190-L1219 HydrophobicContact CH2-CD1 3.87Å; W1190-L1219 HydrophobicContact CH2-CD2 3.94Å; W1190-L1219 HydrophobicContact CH2-CG 4.33Å; W1190-L1219 HydrophobicContact CZ2-CD1 4.39Å; W1190-L1219 HydrophobicContact CZ3-CD1 3.96Å; W1190-L1219 HydrophobicContact CZ3-CD2 3.8Å; W1190-L1219 HydrophobicContact CZ3-CG 4.48Å; W1190-Y1223 VanDerWaalsContact CZ2-OH 3.22Å; W1190-Y1223 WeakPolarHBondContact CZ2-OH 3.45Å; W1190-I1283 HydrophobicContact CZ3-CG2 3.88Å; W1190-V1286 HydrophobicContact CH2-CG1 4.37Å; W1190-Y1287 AromaticContact CD2-CD2 3.91Å; W1190-Y1287 HydrophobicContact CD2-CD2 3.91Å; W1190-Y1287 AromaticContact CE2-CD2 3.53Å; W1190-Y1287 HydrophobicContact CE3-CD2 4.44Å; W1190-Y1287 HydrophobicContact CG-CD2 4.29Å; W1190-Y1287 HydrophobicContact CH2-CD2 4.27Å; W1190-Y1287 AromaticContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CG 4.43Å; W1190-Y1287 AromaticContact NE1-CD2 3.71Å; W1190-Y1287 AromaticContact NE1-CE2 3.96Å; W1190-E1291 HydrophobicContact CZ2-CG 3.97Å; W1190-E1291 PolarHBondContact NE1-OE1 3.5Å |
| 1191 | C | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.9 | -50.1 | 174.3 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | L1187 L1188 S1193 R1194 V1195 V1203 W1210 | L1187-C1191 PolarHBondContact O-N 2.6Å; L1187-C1191 PolarHBondContact O-SG 3.5Å; L1188-C1191 PolarHBondContact O-N 2.89Å; C1191-S1193 VanDerWaalsContact C-N 3.3Å; C1191-S1193 PolarHBondContact O-N 3.34Å; C1191-R1194 PolarHBondContact O-N 3.09Å; C1191-V1195 WeakPolarHBondContact O-CG2 3.49Å; C1191-V1195 PolarHBondContact O-N 2.98Å; C1191-V1203 HydrophobicContact CB-CG1 3.93Å; C1191-W1210 HydrophobicContact CB-CH2 4.26Å; C1191-W1210 HydrophobicContact CB-CZ2 4.1Å |
| 1192 | Q | 94.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 178.7 | -74.7 | 169.3 | -15.4 | 0 | 0 | 112.8 | L1188 R1189 W1190 L1196 V1203 | L1188-Q1192 WeakPolarHBondContact O-CB 3.48Å; L1188-Q1192 VanDerWaalsContact O-CG 3.25Å; L1188-Q1192 WeakPolarHBondContact O-CG 3.37Å; L1188-Q1192 PolarHBondContact O-N 3.36Å; R1189-Q1192 PolarHBondContact O-N 3.49Å; W1190-Q1192 PolarHBondContact O-N 3.34Å; Q1192-L1196 PolarHBondContact O-N 3.18Å; Q1192-V1203 HydrophobicContact CG-CB 4.42Å; Q1192-V1203 WeakPolarHBondContact CG-O 3.27Å; Q1192-V1203 PolarHBondContact NE2-O 2.86Å |
| 1193 | S | 92.9 | Very high | 91.6 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.3 | -45.9 | 177.5 | -169 | 0 | 0 | 0 | 0 | 111.6 | R1189 W1190 C1191 L1196 | R1189-S1193 VanDerWaalsContact O-CB 3.3Å; R1189-S1193 WeakPolarHBondContact O-CB 3.48Å; R1189-S1193 PolarHBondContact O-N 2.92Å; W1190-S1193 PolarHBondContact O-N 3.29Å; C1191-S1193 VanDerWaalsContact C-N 3.3Å; C1191-S1193 PolarHBondContact O-N 3.34Å; S1193-L1196 WeakPolarHBondContact O-CB 3.29Å; S1193-L1196 PolarHBondContact O-N 3.06Å |
| 1194 | R | 92.5 | Very high | 91.8 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | -180 | -70.5 | -73.1 | 178.9 | -177.7 | 0.8 | 111.9 | W1190 C1191 L1196 L1219 T1222 Y1223 E1291 | W1190-R1194 HydrophobicContact CD2-CG 4.47Å; W1190-R1194 HydrophobicContact CZ2-CG 4.49Å; W1190-R1194 WeakPolarHBondContact O-CG 3.5Å; W1190-R1194 PolarHBondContact O-N 3.01Å; C1191-R1194 PolarHBondContact O-N 3.09Å; R1194-L1196 VanDerWaalsContact C-N 3.26Å; R1194-L1196 PolarHBondContact O-N 3.08Å; R1194-L1219 HydrophobicContact CB-CD1 3.69Å; R1194-L1219 HydrophobicContact CG-CD1 4.24Å; R1194-T1222 HydrophobicContact CB-CG2 4.36Å; R1194-T1222 WeakPolarHBondContact O-CG2 3.49Å; R1194-Y1223 WeakPolarHBondContact CD-OH 3.49Å; R1194-Y1223 PolarHBondContact NE-OH 3.11Å; R1194-E1291 IonicContact CZ-OE1 2.65Å; R1194-E1291 VanDerWaalsContact CZ-OE1 3.24Å; R1194-E1291 IonicContact NE-OE1 2.77Å; R1194-E1291 PolarHBondContact NE-OE1 3.4Å; R1194-E1291 IonicContact NH2-OE1 3.82Å; R1194-E1291 PolarHBondContact NH2-OE1 3.28Å; R1194-E1291 IonicContact NH2-OE2 2.77Å; R1194-E1291 PolarHBondContact NH2-OE2 2.87Å |
| 1195 | V | 92.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 8.8 | -179.8 | -49 | 0 | 0 | 0 | 0 | 114.5 | C1191 G1197 Y1198 V1201 V1203 A1218 L1219 | C1191-V1195 WeakPolarHBondContact O-CG2 3.49Å; C1191-V1195 PolarHBondContact O-N 2.98Å; V1195-G1197 PolarHBondContact O-N 3.44Å; V1195-Y1198 HydrophobicContact CB-CD2 4.41Å; V1195-Y1198 WeakPolarHBondContact O-CD2 3.43Å; V1195-Y1198 PolarHBondContact O-N 2.96Å; V1195-Y1198 VanDerWaalsContact O-N 3.17Å; V1195-V1201 HydrophobicContact CB-CG1 4.05Å; V1195-V1201 HydrophobicContact CG1-CG1 4.48Å; V1195-V1201 HydrophobicContact CG2-CG1 3.82Å; V1195-V1203 HydrophobicContact CG2-CB 4.5Å; V1195-V1203 HydrophobicContact CG2-CG2 3.98Å; V1195-A1218 HydrophobicContact CB-CB 4.21Å; V1195-A1218 HydrophobicContact CG1-CB 3.95Å; V1195-L1219 HydrophobicContact CG1-CB 4.16Å |
| 1196 | L | 91.6 | Very high | 91.8 | Very high | 146 Ų | 146 | 55.4 Ų | 55.4 | 76% | 0.764 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 121.9 | -177.9 | -171.2 | 66.5 | 0 | 0 | 0 | 111.3 | Q1192 S1193 R1194 | Q1192-L1196 PolarHBondContact O-N 3.18Å; S1193-L1196 WeakPolarHBondContact O-CB 3.29Å; S1193-L1196 PolarHBondContact O-N 3.06Å; R1194-L1196 VanDerWaalsContact C-N 3.26Å; R1194-L1196 PolarHBondContact O-N 3.08Å |
| 1197 | G | 86.6 | Confident | 91.8 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 79% | 0.794 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97 | -9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1195 R1199 | V1195-G1197 PolarHBondContact O-N 3.44Å; G1197-R1199 PolarHBondContact O-N 3.11Å |
| 1198 | Y | 90.8 | Very high | 91.6 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | trans | -71.2 | 116.5 | 171 | -73.9 | -100.7 | 0 | 0 | 0 | 109.9 | V1195 G1200 V1201 A1218 H1221 T1222 W1230 | V1195-Y1198 HydrophobicContact CB-CD2 4.41Å; V1195-Y1198 WeakPolarHBondContact O-CD2 3.43Å; V1195-Y1198 PolarHBondContact O-N 2.96Å; V1195-Y1198 VanDerWaalsContact O-N 3.17Å; Y1198-G1200 PolarHBondContact O-N 3.26Å; Y1198-V1201 PolarHBondContact O-N 2.92Å; Y1198-A1218 HydrophobicContact CD1-CB 3.6Å; Y1198-A1218 HydrophobicContact CD2-CB 4.3Å; Y1198-A1218 HydrophobicContact CE1-CB 4.16Å; Y1198-A1218 HydrophobicContact CG-CB 3.68Å; Y1198-H1221 HydrophobicContact CE1-CB 4.07Å; Y1198-H1221 AromaticContact CE1-CG 3.96Å; Y1198-H1221 AromaticContact CE1-ND1 3.45Å; Y1198-H1221 WeakPolarHBondContact CE1-ND1 3.4Å; Y1198-H1221 AromaticContact CZ-ND1 3.59Å; Y1198-H1221 PolarHBondContact OH-ND1 2.89Å; Y1198-H1221 PolarHBondContact OH-O 3.46Å; Y1198-T1222 HydrophobicContact CE2-CG2 3.64Å; Y1198-T1222 WeakPolarHBondContact OH-CG2 3.44Å; Y1198-T1222 PolarHBondContact OH-N 2.96Å; Y1198-W1230 AromaticContact CD1-CD2 3.97Å; Y1198-W1230 HydrophobicContact CD1-CD2 3.97Å; Y1198-W1230 AromaticContact CD1-CE2 3.8Å; Y1198-W1230 HydrophobicContact CD1-CE3 4.05Å; Y1198-W1230 AromaticContact CD1-CH2 3.9Å; Y1198-W1230 HydrophobicContact CD1-CH2 3.9Å; Y1198-W1230 AromaticContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ3 4.02Å; Y1198-W1230 HydrophobicContact CE1-CD2 4.28Å; Y1198-W1230 HydrophobicContact CE1-CE3 4.31Å; Y1198-W1230 HydrophobicContact CG-CZ2 4.45Å | ||
| 1199 | R | 83.9 | Confident | 91.5 | Very high | 139 Ų | 139 | 57.8 Ų | 57.8 | 53% | 0.525 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 135.3 | -178.6 | -173.7 | 177.5 | -177 | -140.7 | -1.9 | 110.4 | G1197 V1201 I1234 S1236 | G1197-R1199 PolarHBondContact O-N 3.11Å; R1199-V1201 PolarHBondContact O-N 2.94Å; R1199-I1234 HydrophobicContact CB-CD1 3.96Å; R1199-I1234 HydrophobicContact CG-CD1 4.24Å; R1199-I1234 WeakPolarHBondContact O-CD1 3.32Å; R1199-S1236 PolarHBondContact NH1-O 3.42Å; R1199-S1236 PolarHBondContact NH2-O 2.74Å |
| 1200 | G | 82.5 | Confident | 91.5 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 2.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1198 G1238 | Y1198-G1200 PolarHBondContact O-N 3.26Å; G1200-G1238 VanDerWaalsContact CA-O 3.3Å; G1200-G1238 WeakPolarHBondContact CA-O 3.35Å |
| 1201 | V | 90.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 12% | 0.121 | 30% | 0.298 | C | S | . | . | trans | -109 | 115.6 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | V1195 Y1198 R1199 V1203 L1214 A1215 A1218 W1230 | V1195-V1201 HydrophobicContact CB-CG1 4.05Å; V1195-V1201 HydrophobicContact CG1-CG1 4.48Å; V1195-V1201 HydrophobicContact CG2-CG1 3.82Å; Y1198-V1201 PolarHBondContact O-N 2.92Å; R1199-V1201 PolarHBondContact O-N 2.94Å; V1201-V1203 HydrophobicContact CG1-CG2 4.07Å; V1201-L1214 HydrophobicContact CG2-CB 3.88Å; V1201-A1215 HydrophobicContact CG1-CB 4.13Å; V1201-A1218 HydrophobicContact CG1-CB 4.28Å; V1201-A1218 HydrophobicContact CG2-CB 4.04Å; V1201-W1230 HydrophobicContact CG2-CH2 3.76Å; V1201-W1230 HydrophobicContact CG2-CZ2 4.47Å | ||
| 1202 | E | 91 | Very high | 91.1 | Very high | 153 Ų | 153 | 54 Ų | 54 | 72% | 0.715 | 31% | 0.306 | S | S | * | . | trans | -128.2 | 105.5 | 171.5 | -163.2 | -170.7 | 159.2 | 0 | 0 | 110 | T1204 S1209 | E1202-T1204 HydrophobicContact CG-CG2 4Å; E1202-T1204 PolarHBondContact O-N 3.48Å; E1202-T1204 WeakPolarHBondContact OE1-CG2 3.36Å; E1202-S1209 WeakPolarHBondContact O-CB 3.19Å; E1202-S1209 PolarHBondContact O-OG 2.81Å | ||
| 1203 | V | 94 | Very high | 90.8 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | trans | -91.1 | 97.7 | -179.4 | 178 | 0 | 0 | 0 | 0 | 109.5 | L1188 C1191 Q1192 V1195 V1201 W1210 A1215 | L1188-V1203 HydrophobicContact CD1-CG1 3.8Å; C1191-V1203 HydrophobicContact CB-CG1 3.93Å; Q1192-V1203 HydrophobicContact CG-CB 4.42Å; Q1192-V1203 WeakPolarHBondContact CG-O 3.27Å; Q1192-V1203 PolarHBondContact NE2-O 2.86Å; V1195-V1203 HydrophobicContact CG2-CB 4.5Å; V1195-V1203 HydrophobicContact CG2-CG2 3.98Å; V1201-V1203 HydrophobicContact CG1-CG2 4.07Å; V1203-W1210 HydrophobicContact CG1-CZ2 3.62Å; V1203-W1210 HydrophobicContact CG2-CH2 4.36Å; V1203-W1210 HydrophobicContact CG2-CZ2 4.02Å; V1203-A1215 HydrophobicContact CG2-CB 4.05Å | ||
| 1204 | T | 93.4 | Very high | 90.8 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -105.1 | -15.2 | 177 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | E1202 S1209 | E1202-T1204 HydrophobicContact CG-CG2 4Å; E1202-T1204 PolarHBondContact O-N 3.48Å; E1202-T1204 WeakPolarHBondContact OE1-CG2 3.36Å; T1204-S1209 PolarHBondContact N-OG 2.88Å; T1204-S1209 PolarHBondContact OG1-OG 3.42Å |
| 1205 | N | 92.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -159.3 | 172.3 | -174.9 | 67.5 | 92.5 | 0 | 0 | 0 | 111.2 | S1207 S1208 S1209 W1210 | N1205-S1207 VanDerWaalsContact OD1-CA 3.26Å; N1205-S1207 WeakPolarHBondContact OD1-CA 3.44Å; N1205-S1207 WeakPolarHBondContact OD1-CB 3.38Å; N1205-S1207 PolarHBondContact OD1-N 3.47Å; N1205-S1207 PolarHBondContact OD1-OG 3.17Å; N1205-S1208 PolarHBondContact ND2-OG 2.9Å; N1205-S1208 PolarHBondContact OD1-N 3.33Å; N1205-S1208 PolarHBondContact OD1-OG 2.83Å; N1205-S1209 PolarHBondContact ND2-OG 2.83Å; N1205-W1210 VanDerWaalsContact O-CD1 3.24Å; N1205-W1210 PolarHBondContact O-NE1 3.26Å |
| 1206 | F | 94.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -94.4 | 22 | 176.7 | -67.9 | -72.4 | 0 | 0 | 0 | 113.9 | R1184 L1187 L1188 W1276 V1279 M1280 I1283 | R1184-F1206 HydrophobicContact CG-CD2 4.11Å; R1184-F1206 HydrophobicContact CG-CE2 3.91Å; L1187-F1206 HydrophobicContact CB-CZ 4.01Å; L1187-F1206 HydrophobicContact CD2-CE1 4.34Å; L1187-F1206 HydrophobicContact CD2-CZ 4.17Å; L1187-F1206 HydrophobicContact CG-CE1 4.37Å; L1187-F1206 HydrophobicContact CG-CZ 4.02Å; L1188-F1206 HydrophobicContact CB-CE2 3.83Å; L1188-F1206 HydrophobicContact CB-CZ 3.95Å; L1188-F1206 HydrophobicContact CD1-CD2 4.42Å; L1188-F1206 HydrophobicContact CD1-CE2 4.03Å; L1188-F1206 HydrophobicContact CD1-CZ 4.13Å; L1188-F1206 HydrophobicContact CG-CE2 4.49Å; F1206-W1276 HydrophobicContact CB-CB 4.24Å; F1206-W1276 VanDerWaalsContact O-CA 3.31Å; F1206-W1276 WeakPolarHBondContact O-CA 3.43Å; F1206-V1279 HydrophobicContact CB-CG1 4.33Å; F1206-V1279 HydrophobicContact CD1-CG1 4.47Å; F1206-V1279 VanDerWaalsContact O-CB 3.26Å; F1206-V1279 WeakPolarHBondContact O-CB 3.37Å; F1206-V1279 WeakPolarHBondContact O-CG1 3.45Å; F1206-M1280 HydrophobicContact CB-CB 4.46Å; F1206-M1280 HydrophobicContact CD1-SD 4.41Å; F1206-M1280 HydrophobicContact CD2-SD 3.67Å; F1206-M1280 HydrophobicContact CE1-SD 4.19Å; F1206-M1280 HydrophobicContact CE2-SD 3.41Å; F1206-M1280 WeakPolarHBondContact CE2-SD 3.31Å; F1206-M1280 HydrophobicContact CG-CB 4.32Å; F1206-M1280 HydrophobicContact CG-SD 4.17Å; F1206-M1280 HydrophobicContact CZ-SD 3.69Å; F1206-I1283 HydrophobicContact CE1-CB 4.47Å; F1206-I1283 HydrophobicContact CE1-CG2 4.14Å |
| 1207 | S | 91.8 | Very high | 91 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -126.5 | -99.1 | 179.8 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | N1205 S1209 W1210 R1273 P1274 | N1205-S1207 VanDerWaalsContact OD1-CA 3.26Å; N1205-S1207 WeakPolarHBondContact OD1-CA 3.44Å; N1205-S1207 WeakPolarHBondContact OD1-CB 3.38Å; N1205-S1207 PolarHBondContact OD1-N 3.47Å; N1205-S1207 PolarHBondContact OD1-OG 3.17Å; S1207-S1209 VanDerWaalsContact C-N 3.25Å; S1207-S1209 PolarHBondContact O-N 2.69Å; S1207-S1209 VanDerWaalsContact O-N 3.14Å; S1207-W1210 PolarHBondContact O-N 3.03Å; S1207-R1273 PolarHBondContact OG-NE 2.92Å; S1207-P1274 VanDerWaalsContact CB-O 3.24Å; S1207-P1274 WeakPolarHBondContact CB-O 3.35Å |
| 1208 | S | 91.4 | Very high | 91.4 | Very high | 51 Ų | 51 | 31 Ų | 31 | 36% | 0.357 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -56.7 | -30.3 | -176.3 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | N1205 W1210 N1211 | N1205-S1208 PolarHBondContact ND2-OG 2.9Å; N1205-S1208 PolarHBondContact OD1-N 3.33Å; N1205-S1208 PolarHBondContact OD1-OG 2.83Å; S1208-W1210 PolarHBondContact O-N 3.48Å; S1208-W1210 VanDerWaalsContact O-N 3.09Å; S1208-N1211 WeakPolarHBondContact O-CB 3.41Å; S1208-N1211 PolarHBondContact O-N 2.81Å; S1208-N1211 PolarHBondContact O-ND2 3.01Å; S1208-N1211 PolarHBondContact O-OD1 2.88Å |
| 1209 | S | 92.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 12% | 0.119 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -61.2 | -16.3 | 174.6 | -78.3 | 0 | 0 | 0 | 0 | 114.2 | E1202 T1204 N1205 S1207 A1215 | E1202-S1209 WeakPolarHBondContact O-CB 3.19Å; E1202-S1209 PolarHBondContact O-OG 2.81Å; T1204-S1209 PolarHBondContact N-OG 2.88Å; T1204-S1209 PolarHBondContact OG1-OG 3.42Å; N1205-S1209 PolarHBondContact ND2-OG 2.83Å; S1207-S1209 VanDerWaalsContact C-N 3.25Å; S1207-S1209 PolarHBondContact O-N 2.69Å; S1207-S1209 VanDerWaalsContact O-N 3.14Å; S1209-A1215 WeakPolarHBondContact O-CB 3.03Å |
| 1210 | W | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -111 | -1 | -178.2 | -54.8 | 83.9 | 0 | 0 | 0 | 113 | C1191 V1203 N1205 S1207 S1208 N1212 G1213 A1215 F1216 L1219 F1247 V1279 I1283 | C1191-W1210 HydrophobicContact CB-CH2 4.26Å; C1191-W1210 HydrophobicContact CB-CZ2 4.1Å; V1203-W1210 HydrophobicContact CG1-CZ2 3.62Å; V1203-W1210 HydrophobicContact CG2-CH2 4.36Å; V1203-W1210 HydrophobicContact CG2-CZ2 4.02Å; N1205-W1210 VanDerWaalsContact O-CD1 3.24Å; N1205-W1210 PolarHBondContact O-NE1 3.26Å; S1207-W1210 PolarHBondContact O-N 3.03Å; S1208-W1210 PolarHBondContact O-N 3.48Å; S1208-W1210 VanDerWaalsContact O-N 3.09Å; W1210-N1212 PolarHBondContact O-N 3.28Å; W1210-G1213 PolarHBondContact O-N 3.11Å; W1210-A1215 HydrophobicContact CD2-CB 3.78Å; W1210-A1215 HydrophobicContact CE3-CB 3.38Å; W1210-A1215 HydrophobicContact CG-CB 4.35Å; W1210-A1215 HydrophobicContact CH2-CB 4.4Å; W1210-A1215 VanDerWaalsContact CZ3-C 3.46Å; W1210-A1215 HydrophobicContact CZ3-CB 3.72Å; W1210-A1215 WeakPolarHBondContact CZ3-O 3.5Å; W1210-F1216 HydrophobicContact CB-CD2 4.41Å; W1210-F1216 HydrophobicContact CB-CE2 3.68Å; W1210-F1216 HydrophobicContact CB-CZ 3.91Å; W1210-F1216 HydrophobicContact CD2-CE1 4.29Å; W1210-F1216 HydrophobicContact CD2-CE2 4.49Å; W1210-F1216 HydrophobicContact CD2-CZ 4.22Å; W1210-F1216 AromaticContact CE3-CD1 3.57Å; W1210-F1216 HydrophobicContact CE3-CD1 3.57Å; W1210-F1216 AromaticContact CE3-CD2 3.99Å; W1210-F1216 HydrophobicContact CE3-CD2 3.99Å; W1210-F1216 AromaticContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE2 4.01Å; W1210-F1216 AromaticContact CE3-CG 3.77Å; W1210-F1216 HydrophobicContact CE3-CG 3.77Å; W1210-F1216 AromaticContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CG-CE2 4.42Å; W1210-F1216 HydrophobicContact CG-CZ 4.28Å; W1210-F1216 AromaticContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CE1 4.1Å; W1210-F1216 HydrophobicContact CZ3-CG 4.22Å; W1210-L1219 HydrophobicContact CH2-CD2 4.15Å; W1210-L1219 HydrophobicContact CZ3-CD2 4.39Å; W1210-F1247 WeakPolarHBondContact O-CE1 3.27Å; W1210-F1247 WeakPolarHBondContact O-CZ 3.19Å; W1210-V1279 HydrophobicContact CB-CG1 4.28Å; W1210-V1279 HydrophobicContact CD2-CG1 4.29Å; W1210-V1279 HydrophobicContact CG-CG1 3.9Å; W1210-I1283 HydrophobicContact CE3-CD1 4.01Å; W1210-I1283 HydrophobicContact CH2-CD1 3.53Å; W1210-I1283 HydrophobicContact CH2-CG1 4.15Å; W1210-I1283 HydrophobicContact CZ2-CD1 4.17Å; W1210-I1283 HydrophobicContact CZ2-CG1 4.3Å; W1210-I1283 HydrophobicContact CZ3-CD1 3.43Å; W1210-I1283 VanDerWaalsContact CZ3-CD1 3.43Å; W1210-I1283 HydrophobicContact CZ3-CG1 4.31Å |
| 1211 | N | 90.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 22.4 Ų | 22.4 | 17% | 0.166 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 2.8 | -174.2 | 81.2 | 2.7 | 0 | 0 | 0 | 115.5 | S1208 K1243 E1272 P1274 | S1208-N1211 WeakPolarHBondContact O-CB 3.41Å; S1208-N1211 PolarHBondContact O-N 2.81Å; S1208-N1211 PolarHBondContact O-ND2 3.01Å; S1208-N1211 PolarHBondContact O-OD1 2.88Å; N1211-K1243 PolarHBondContact O-NZ 3.3Å; N1211-E1272 VanDerWaalsContact CB-O 3.24Å; N1211-E1272 WeakPolarHBondContact CB-O 3.34Å; N1211-E1272 PolarHBondContact ND2-O 3.36Å; N1211-P1274 HydrophobicContact CB-CG 4.29Å |
| 1212 | N | 88.3 | Confident | 92.5 | Very high | 28 Ų | 28 | 23.3 Ų | 23.3 | 15% | 0.15 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | 2.5 | -169.3 | 73.6 | -1.4 | 0 | 0 | 0 | 113 | W1210 L1214 P1240 | W1210-N1212 PolarHBondContact O-N 3.28Å; N1212-L1214 PolarHBondContact O-N 2.97Å; N1212-L1214 PolarHBondContact OD1-N 2.7Å; N1212-L1214 VanDerWaalsContact OD1-N 3.12Å; N1212-P1240 HydrophobicContact CB-CG 3.74Å; N1212-P1240 WeakPolarHBondContact O-CG 3.5Å |
| 1213 | G | 89.9 | Confident | 92.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 71.3 | -31.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | W1210 A1215 F1216 C1217 | W1210-G1213 PolarHBondContact O-N 3.11Å; G1213-A1215 VanDerWaalsContact C-N 3.31Å; G1213-A1215 PolarHBondContact O-N 3.37Å; G1213-F1216 PolarHBondContact O-N 3.17Å; G1213-F1216 VanDerWaalsContact O-N 3.12Å; G1213-C1217 PolarHBondContact O-N 2.96Å; G1213-C1217 PolarHBondContact O-SG 2.92Å; G1213-C1217 VanDerWaalsContact O-SG 3.4Å |
| 1214 | L | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.2 | -34.1 | -175.3 | -71.9 | -179 | 0 | 0 | 0 | 113.8 | V1201 N1212 C1217 A1218 W1230 L1233 P1240 | V1201-L1214 HydrophobicContact CG2-CB 3.88Å; N1212-L1214 PolarHBondContact O-N 2.97Å; N1212-L1214 PolarHBondContact OD1-N 2.7Å; N1212-L1214 VanDerWaalsContact OD1-N 3.12Å; L1214-C1217 PolarHBondContact O-N 2.91Å; L1214-A1218 VanDerWaalsContact O-CB 3.26Å; L1214-A1218 WeakPolarHBondContact O-CB 3.42Å; L1214-A1218 PolarHBondContact O-N 3.47Å; L1214-W1230 HydrophobicContact CB-CH2 4.37Å; L1214-W1230 HydrophobicContact CD2-CH2 4.12Å; L1214-W1230 HydrophobicContact CD2-CZ3 4.2Å; L1214-L1233 HydrophobicContact CD2-CB 4.24Å; L1214-P1240 HydrophobicContact CD1-CB 4.02Å; L1214-P1240 HydrophobicContact CD1-CG 3.73Å; L1214-P1240 HydrophobicContact CD2-CB 4.41Å; L1214-P1240 HydrophobicContact CG-CB 3.93Å; L1214-P1240 HydrophobicContact CG-CG 3.87Å |
| 1215 | A | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1201 V1203 S1209 W1210 G1213 L1219 | V1201-A1215 HydrophobicContact CG1-CB 4.13Å; V1203-A1215 HydrophobicContact CG2-CB 4.05Å; S1209-A1215 WeakPolarHBondContact O-CB 3.03Å; W1210-A1215 HydrophobicContact CD2-CB 3.78Å; W1210-A1215 HydrophobicContact CE3-CB 3.38Å; W1210-A1215 HydrophobicContact CG-CB 4.35Å; W1210-A1215 HydrophobicContact CH2-CB 4.4Å; W1210-A1215 VanDerWaalsContact CZ3-C 3.46Å; W1210-A1215 HydrophobicContact CZ3-CB 3.72Å; W1210-A1215 WeakPolarHBondContact CZ3-O 3.5Å; G1213-A1215 VanDerWaalsContact C-N 3.31Å; G1213-A1215 PolarHBondContact O-N 3.37Å; A1215-L1219 WeakPolarHBondContact O-CB 3.38Å; A1215-L1219 PolarHBondContact O-N 3.32Å; A1215-L1219 VanDerWaalsContact O-N 3.09Å |
| 1216 | F | 94 | Very high | 91.7 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.5 | -45 | 172.6 | -64.7 | -71.6 | 0 | 0 | 0 | 111.2 | W1210 G1213 A1218 L1219 L1220 F1247 A1250 L1263 V1279 Y1282 I1283 | W1210-F1216 HydrophobicContact CB-CD2 4.41Å; W1210-F1216 HydrophobicContact CB-CE2 3.68Å; W1210-F1216 HydrophobicContact CB-CZ 3.91Å; W1210-F1216 HydrophobicContact CD2-CE1 4.29Å; W1210-F1216 HydrophobicContact CD2-CE2 4.49Å; W1210-F1216 HydrophobicContact CD2-CZ 4.22Å; W1210-F1216 AromaticContact CE3-CD1 3.57Å; W1210-F1216 HydrophobicContact CE3-CD1 3.57Å; W1210-F1216 AromaticContact CE3-CD2 3.99Å; W1210-F1216 HydrophobicContact CE3-CD2 3.99Å; W1210-F1216 AromaticContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE1 3.58Å; W1210-F1216 HydrophobicContact CE3-CE2 4.01Å; W1210-F1216 AromaticContact CE3-CG 3.77Å; W1210-F1216 HydrophobicContact CE3-CG 3.77Å; W1210-F1216 AromaticContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CE3-CZ 3.81Å; W1210-F1216 HydrophobicContact CG-CE2 4.42Å; W1210-F1216 HydrophobicContact CG-CZ 4.28Å; W1210-F1216 AromaticContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CD1 3.82Å; W1210-F1216 HydrophobicContact CZ3-CE1 4.1Å; W1210-F1216 HydrophobicContact CZ3-CG 4.22Å; G1213-F1216 PolarHBondContact O-N 3.17Å; G1213-F1216 VanDerWaalsContact O-N 3.12Å; F1216-A1218 VanDerWaalsContact C-N 3.34Å; F1216-A1218 PolarHBondContact O-N 3.05Å; F1216-L1219 PolarHBondContact O-N 2.79Å; F1216-L1220 WeakPolarHBondContact O-CG 3.37Å; F1216-L1220 PolarHBondContact O-N 2.91Å; F1216-F1247 HydrophobicContact CD2-CD1 4.14Å; F1216-F1247 AromaticContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CE2-CD1 4.36Å; F1216-F1247 AromaticContact CE2-CE1 3.83Å; F1216-F1247 HydrophobicContact CE2-CE1 3.83Å; F1216-A1250 HydrophobicContact CB-CB 3.68Å; F1216-L1263 HydrophobicContact CE1-CD1 4.09Å; F1216-L1263 HydrophobicContact CE2-CD1 4.44Å; F1216-L1263 HydrophobicContact CZ-CD1 3.64Å; F1216-V1279 HydrophobicContact CE1-CG1 4.49Å; F1216-V1279 HydrophobicContact CZ-CG1 4.06Å; F1216-V1279 HydrophobicContact CZ-CG2 4.48Å; F1216-Y1282 HydrophobicContact CD1-CD1 4.2Å; F1216-Y1282 AromaticContact CD1-CE1 3.95Å; F1216-Y1282 HydrophobicContact CD1-CE1 3.95Å; F1216-Y1282 AromaticContact CE1-CD1 3.67Å; F1216-Y1282 HydrophobicContact CE1-CD1 3.67Å; F1216-Y1282 AromaticContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CZ-CD1 4.45Å; F1216-I1283 HydrophobicContact CD1-CD1 3.74Å; F1216-I1283 HydrophobicContact CE1-CD1 3.53Å; F1216-I1283 HydrophobicContact CE1-CG1 4.04Å |
| 1217 | C | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | 176 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | G1213 L1214 H1221 I1228 W1230 L1233 C1246 | G1213-C1217 PolarHBondContact O-N 2.96Å; G1213-C1217 PolarHBondContact O-SG 2.92Å; G1213-C1217 VanDerWaalsContact O-SG 3.4Å; L1214-C1217 PolarHBondContact O-N 2.91Å; C1217-H1221 WeakPolarHBondContact O-CB 3.19Å; C1217-H1221 PolarHBondContact O-N 3.01Å; C1217-I1228 HydrophobicContact CB-CG2 4.24Å; C1217-W1230 HydrophobicContact CB-CE3 4.3Å; C1217-W1230 HydrophobicContact CB-CZ3 3.93Å; C1217-L1233 HydrophobicContact CB-CD1 4.44Å; C1217-C1246 PolarHBondContact SG-O 2.93Å |
| 1218 | A | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1195 Y1198 V1201 L1214 F1216 H1221 T1222 W1230 | V1195-A1218 HydrophobicContact CB-CB 4.21Å; V1195-A1218 HydrophobicContact CG1-CB 3.95Å; Y1198-A1218 HydrophobicContact CD1-CB 3.6Å; Y1198-A1218 HydrophobicContact CD2-CB 4.3Å; Y1198-A1218 HydrophobicContact CE1-CB 4.16Å; Y1198-A1218 HydrophobicContact CG-CB 3.68Å; V1201-A1218 HydrophobicContact CG1-CB 4.28Å; V1201-A1218 HydrophobicContact CG2-CB 4.04Å; L1214-A1218 VanDerWaalsContact O-CB 3.26Å; L1214-A1218 WeakPolarHBondContact O-CB 3.42Å; L1214-A1218 PolarHBondContact O-N 3.47Å; F1216-A1218 VanDerWaalsContact C-N 3.34Å; F1216-A1218 PolarHBondContact O-N 3.05Å; A1218-H1221 PolarHBondContact O-N 3.42Å; A1218-T1222 WeakPolarHBondContact O-CG2 3.46Å; A1218-T1222 PolarHBondContact O-N 2.97Å; A1218-W1230 HydrophobicContact CB-CH2 3.91Å; A1218-W1230 HydrophobicContact CB-CZ3 3.77Å |
| 1219 | L | 94.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -49.3 | 178.4 | -177.5 | 63.2 | 0 | 0 | 0 | 111.2 | W1190 R1194 V1195 W1210 A1215 F1216 T1222 Y1223 I1283 V1286 | W1190-L1219 HydrophobicContact CH2-CD1 3.87Å; W1190-L1219 HydrophobicContact CH2-CD2 3.94Å; W1190-L1219 HydrophobicContact CH2-CG 4.33Å; W1190-L1219 HydrophobicContact CZ2-CD1 4.39Å; W1190-L1219 HydrophobicContact CZ3-CD1 3.96Å; W1190-L1219 HydrophobicContact CZ3-CD2 3.8Å; W1190-L1219 HydrophobicContact CZ3-CG 4.48Å; R1194-L1219 HydrophobicContact CB-CD1 3.69Å; R1194-L1219 HydrophobicContact CG-CD1 4.24Å; V1195-L1219 HydrophobicContact CG1-CB 4.16Å; W1210-L1219 HydrophobicContact CH2-CD2 4.15Å; W1210-L1219 HydrophobicContact CZ3-CD2 4.39Å; A1215-L1219 WeakPolarHBondContact O-CB 3.38Å; A1215-L1219 PolarHBondContact O-N 3.32Å; A1215-L1219 VanDerWaalsContact O-N 3.09Å; F1216-L1219 PolarHBondContact O-N 2.79Å; L1219-T1222 WeakPolarHBondContact O-CB 3.27Å; L1219-T1222 PolarHBondContact O-N 3.37Å; L1219-T1222 PolarHBondContact O-OG1 3.48Å; L1219-Y1223 HydrophobicContact CD1-CE2 4.48Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.28Å; L1219-I1283 HydrophobicContact CD2-CD1 3.73Å; L1219-I1283 HydrophobicContact CD2-CG2 4.48Å; L1219-V1286 HydrophobicContact CD2-CG1 4.02Å; L1219-V1286 HydrophobicContact CG-CG1 4.45Å |
| 1220 | L | 92.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | 179.8 | -68.3 | 169.5 | 0 | 0 | 0 | 112.4 | F1216 T1222 Y1223 V1224 I1228 A1250 A1254 V1286 Y1290 | F1216-L1220 WeakPolarHBondContact O-CG 3.37Å; F1216-L1220 PolarHBondContact O-N 2.91Å; L1220-T1222 PolarHBondContact O-N 2.94Å; L1220-T1222 VanDerWaalsContact O-N 3.15Å; L1220-Y1223 PolarHBondContact O-N 3.06Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.45Å; L1220-V1224 PolarHBondContact O-N 3.15Å; L1220-I1228 HydrophobicContact CB-CD1 3.39Å; L1220-I1228 HydrophobicContact CD1-CD1 4.48Å; L1220-A1250 HydrophobicContact CD1-CB 4.2Å; L1220-A1250 WeakPolarHBondContact CD1-O 3.44Å; L1220-A1254 HydrophobicContact CD1-CB 4.24Å; L1220-V1286 HydrophobicContact CD2-CG1 4.11Å; L1220-Y1290 HydrophobicContact CD2-CE2 3.84Å |
| 1221 | H | 93 | Very high | 90.4 | Very high | 40 Ų | 40 | 33 Ų | 33 | 19% | 0.185 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -15.8 | 175.8 | -175.9 | -78.7 | 0 | 0 | 0 | 112.8 | Y1198 C1217 A1218 Y1223 P1225 I1228 | Y1198-H1221 HydrophobicContact CE1-CB 4.07Å; Y1198-H1221 AromaticContact CE1-CG 3.96Å; Y1198-H1221 AromaticContact CE1-ND1 3.45Å; Y1198-H1221 WeakPolarHBondContact CE1-ND1 3.4Å; Y1198-H1221 AromaticContact CZ-ND1 3.59Å; Y1198-H1221 PolarHBondContact OH-ND1 2.89Å; Y1198-H1221 PolarHBondContact OH-O 3.46Å; C1217-H1221 WeakPolarHBondContact O-CB 3.19Å; C1217-H1221 PolarHBondContact O-N 3.01Å; A1218-H1221 PolarHBondContact O-N 3.42Å; H1221-Y1223 VanDerWaalsContact C-N 3.27Å; H1221-Y1223 PolarHBondContact O-N 2.91Å; H1221-P1225 WeakPolarHBondContact O-CB 3.32Å; H1221-P1225 WeakPolarHBondContact O-CD 3.14Å; H1221-I1228 HydrophobicContact CB-CB 4.26Å; H1221-I1228 HydrophobicContact CB-CD1 4.32Å; H1221-I1228 HydrophobicContact CB-CG2 4.21Å; H1221-I1228 PolarHBondContact CD2-O 3.09Å |
| 1222 | T | 91.8 | Very high | 90.2 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 24% | 0.239 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.2 | 171.1 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | R1194 Y1198 A1218 L1219 L1220 | R1194-T1222 HydrophobicContact CB-CG2 4.36Å; R1194-T1222 WeakPolarHBondContact O-CG2 3.49Å; Y1198-T1222 HydrophobicContact CE2-CG2 3.64Å; Y1198-T1222 WeakPolarHBondContact OH-CG2 3.44Å; Y1198-T1222 PolarHBondContact OH-N 2.96Å; A1218-T1222 WeakPolarHBondContact O-CG2 3.46Å; A1218-T1222 PolarHBondContact O-N 2.97Å; L1219-T1222 WeakPolarHBondContact O-CB 3.27Å; L1219-T1222 PolarHBondContact O-N 3.37Å; L1219-T1222 PolarHBondContact O-OG1 3.48Å; L1220-T1222 PolarHBondContact O-N 2.94Å; L1220-T1222 VanDerWaalsContact O-N 3.15Å |
| 1223 | Y | 89.7 | Confident | 90 | Very high | 49 Ų | 49 | 34.7 Ų | 34.7 | 19% | 0.192 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -46.4 | 178.1 | -56.2 | -75.3 | 0 | 0 | 0 | 111.6 | W1190 R1194 L1219 L1220 H1221 P1225 Y1290 E1291 | W1190-Y1223 VanDerWaalsContact CZ2-OH 3.22Å; W1190-Y1223 WeakPolarHBondContact CZ2-OH 3.45Å; R1194-Y1223 WeakPolarHBondContact CD-OH 3.49Å; R1194-Y1223 PolarHBondContact NE-OH 3.11Å; L1219-Y1223 HydrophobicContact CD1-CE2 4.48Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.28Å; L1220-Y1223 PolarHBondContact O-N 3.06Å; H1221-Y1223 VanDerWaalsContact C-N 3.27Å; H1221-Y1223 PolarHBondContact O-N 2.91Å; Y1223-P1225 VanDerWaalsContact C-CD 3.41Å; Y1223-P1225 VanDerWaalsContact O-CD 3.3Å; Y1223-P1225 WeakPolarHBondContact O-CD 3.43Å; Y1223-Y1290 VanDerWaalsContact CB-CE1 3.44Å; Y1223-Y1290 AromaticContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CE1 4.4Å; Y1223-Y1290 AromaticContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD2-CD1 4.04Å; Y1223-Y1290 AromaticContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CE1 4.31Å; Y1223-Y1290 HydrophobicContact CD2-CE2 4.01Å; Y1223-Y1290 AromaticContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CE1-CD1 4.4Å; Y1223-Y1290 HydrophobicContact CE1-CG 4.13Å; Y1223-Y1290 AromaticContact CE2-CD2 4Å; Y1223-Y1290 HydrophobicContact CE2-CD2 4Å; Y1223-Y1290 AromaticContact CE2-CG 3.99Å; Y1223-Y1290 HydrophobicContact CE2-CG 3.99Å; Y1223-Y1290 AromaticContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD2 4.09Å; Y1223-Y1290 AromaticContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE2 4.35Å; Y1223-Y1290 AromaticContact CG-CG 3.66Å; Y1223-Y1290 HydrophobicContact CG-CG 3.66Å; Y1223-E1291 PolarHBondContact OH-OE1 3.25Å |
| 1224 | V | 89.5 | Confident | 89.8 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | trans | -123.2 | 64.8 | -176.6 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | L1220 S1226 K1227 V1253 | L1220-V1224 WeakPolarHBondContact O-CG2 3.45Å; L1220-V1224 PolarHBondContact O-N 3.15Å; V1224-S1226 PolarHBondContact O-N 2.91Å; V1224-S1226 VanDerWaalsContact O-N 3.15Å; V1224-K1227 HydrophobicContact CB-CB 4.4Å; V1224-K1227 HydrophobicContact CG2-CB 4.46Å; V1224-K1227 PolarHBondContact O-N 3.27Å; V1224-K1227 VanDerWaalsContact O-N 3.1Å; V1224-V1253 HydrophobicContact CG2-CG1 3.68Å | ||
| 1225 | P | 88.5 | Confident | 89.4 | Confident | 72 Ų | 72 | 37.9 Ų | 37.9 | 47% | 0.468 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22.4 | -179.3 | 26.4 | -35.2 | 0 | 0 | 0 | 113.4 | H1221 Y1223 K1227 | H1221-P1225 WeakPolarHBondContact O-CB 3.32Å; H1221-P1225 WeakPolarHBondContact O-CD 3.14Å; Y1223-P1225 VanDerWaalsContact C-CD 3.41Å; Y1223-P1225 VanDerWaalsContact O-CD 3.3Å; Y1223-P1225 WeakPolarHBondContact O-CD 3.43Å; P1225-K1227 VanDerWaalsContact C-N 3.34Å |
| 1226 | S | 86.2 | Confident | 88.5 | Confident | 113 Ų | 113 | 42.3 Ų | 42.3 | 79% | 0.79 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -25.9 | 175.8 | 50.3 | 0 | 0 | 0 | 0 | 114 | V1224 | V1224-S1226 PolarHBondContact O-N 2.91Å; V1224-S1226 VanDerWaalsContact O-N 3.15Å |
| 1227 | K | 87.5 | Confident | 87.5 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.7 | -178.3 | -76.1 | -171.5 | 170.7 | 178.7 | 0 | 113.7 | V1224 P1225 V1253 D1256 E1257 | V1224-K1227 HydrophobicContact CB-CB 4.4Å; V1224-K1227 HydrophobicContact CG2-CB 4.46Å; V1224-K1227 PolarHBondContact O-N 3.27Å; V1224-K1227 VanDerWaalsContact O-N 3.1Å; P1225-K1227 VanDerWaalsContact C-N 3.34Å; K1227-V1253 HydrophobicContact CB-CG1 3.75Å; K1227-V1253 HydrophobicContact CB-CG2 3.9Å; K1227-V1253 HydrophobicContact CD-CG1 4.04Å; K1227-D1256 PolarHBondContact NZ-O 3.45Å; K1227-E1257 WeakPolarHBondContact CD-OE1 3.21Å; K1227-E1257 WeakPolarHBondContact CE-OE1 3.41Å; K1227-E1257 IonicContact NZ-OE1 2.62Å; K1227-E1257 PolarHBondContact NZ-OE1 3.48Å |
| 1228 | I | 89.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -117.8 | 112.1 | -173.4 | -67.4 | 172.3 | 0 | 0 | 0 | 110.4 | C1217 L1220 H1221 W1230 L1233 I1249 V1253 | C1217-I1228 HydrophobicContact CB-CG2 4.24Å; L1220-I1228 HydrophobicContact CB-CD1 3.39Å; L1220-I1228 HydrophobicContact CD1-CD1 4.48Å; H1221-I1228 HydrophobicContact CB-CB 4.26Å; H1221-I1228 HydrophobicContact CB-CD1 4.32Å; H1221-I1228 HydrophobicContact CB-CG2 4.21Å; H1221-I1228 PolarHBondContact CD2-O 3.09Å; I1228-W1230 VanDerWaalsContact C-N 3.25Å; I1228-W1230 PolarHBondContact O-N 3.43Å; I1228-L1233 HydrophobicContact CG2-CD1 4.17Å; I1228-I1249 HydrophobicContact CG1-CG2 4.3Å; I1228-V1253 HydrophobicContact CD1-CB 4.36Å; I1228-V1253 HydrophobicContact CD1-CG1 3.99Å; I1228-V1253 HydrophobicContact CG1-CB 4.23Å; I1228-V1253 HydrophobicContact CG1-CG1 4.01Å; I1228-V1253 HydrophobicContact CG1-CG2 3.94Å | ||
| 1229 | P | 87.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | trans | -79.1 | 70 | -178.1 | 33.5 | -36.3 | 0 | 0 | 0 | 111.2 | N1231 D1232 I1249 | P1229-N1231 VanDerWaalsContact C-N 3.3Å; P1229-N1231 PolarHBondContact O-N 3.23Å; P1229-N1231 VanDerWaalsContact O-N 3.12Å; P1229-D1232 HydrophobicContact CB-CB 4.23Å; P1229-D1232 WeakPolarHBondContact O-CB 3.44Å; P1229-D1232 PolarHBondContact O-N 2.9Å; P1229-I1249 HydrophobicContact CG-CD1 4.44Å | ||
| 1230 | W | 87 | Confident | 85.5 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -49.6 | -44.5 | -168.5 | 179 | -100.4 | 0 | 0 | 0 | 114.6 | Y1198 V1201 L1214 C1217 A1218 I1228 D1232 L1233 I1234 | Y1198-W1230 AromaticContact CD1-CD2 3.97Å; Y1198-W1230 HydrophobicContact CD1-CD2 3.97Å; Y1198-W1230 AromaticContact CD1-CE2 3.8Å; Y1198-W1230 HydrophobicContact CD1-CE3 4.05Å; Y1198-W1230 AromaticContact CD1-CH2 3.9Å; Y1198-W1230 HydrophobicContact CD1-CH2 3.9Å; Y1198-W1230 AromaticContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ2 3.78Å; Y1198-W1230 HydrophobicContact CD1-CZ3 4.02Å; Y1198-W1230 HydrophobicContact CE1-CD2 4.28Å; Y1198-W1230 HydrophobicContact CE1-CE3 4.31Å; Y1198-W1230 HydrophobicContact CG-CZ2 4.45Å; V1201-W1230 HydrophobicContact CG2-CH2 3.76Å; V1201-W1230 HydrophobicContact CG2-CZ2 4.47Å; L1214-W1230 HydrophobicContact CB-CH2 4.37Å; L1214-W1230 HydrophobicContact CD2-CH2 4.12Å; L1214-W1230 HydrophobicContact CD2-CZ3 4.2Å; C1217-W1230 HydrophobicContact CB-CE3 4.3Å; C1217-W1230 HydrophobicContact CB-CZ3 3.93Å; A1218-W1230 HydrophobicContact CB-CH2 3.91Å; A1218-W1230 HydrophobicContact CB-CZ3 3.77Å; I1228-W1230 VanDerWaalsContact C-N 3.25Å; I1228-W1230 PolarHBondContact O-N 3.43Å; W1230-D1232 PolarHBondContact O-N 2.87Å; W1230-L1233 PolarHBondContact O-N 3.22Å; W1230-I1234 HydrophobicContact CZ2-CD1 3.92Å; W1230-I1234 WeakPolarHBondContact O-CG2 3.24Å |
| 1231 | N | 84.6 | Confident | 85 | Confident | 133 Ų | 133 | 59.5 Ų | 59.5 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -65.4 | -25.3 | -178.8 | -64.7 | -30.5 | 0 | 0 | 0 | 113.4 | P1229 L1233 | P1229-N1231 VanDerWaalsContact C-N 3.3Å; P1229-N1231 PolarHBondContact O-N 3.23Å; P1229-N1231 VanDerWaalsContact O-N 3.12Å; N1231-L1233 VanDerWaalsContact C-N 3.33Å |
| 1232 | D | 86.3 | Confident | 84.7 | Confident | 92 Ų | 92 | 61 Ų | 61 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -87.8 | -3.4 | -179 | -64 | -0.2 | 0 | 0 | 0 | 112.9 | P1229 W1230 R1245 | P1229-D1232 HydrophobicContact CB-CB 4.23Å; P1229-D1232 WeakPolarHBondContact O-CB 3.44Å; P1229-D1232 PolarHBondContact O-N 2.9Å; W1230-D1232 PolarHBondContact O-N 2.87Å; D1232-R1245 PolarHBondContact O-NH1 3.37Å |
| 1233 | L | 84.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -18.6 | -179.1 | -57.7 | -179.9 | 0 | 0 | 0 | 112.3 | L1214 C1217 I1228 W1230 N1231 P1240 I1241 R1245 I1249 | L1214-L1233 HydrophobicContact CD2-CB 4.24Å; C1217-L1233 HydrophobicContact CB-CD1 4.44Å; I1228-L1233 HydrophobicContact CG2-CD1 4.17Å; W1230-L1233 PolarHBondContact O-N 3.22Å; N1231-L1233 VanDerWaalsContact C-N 3.33Å; L1233-P1240 WeakPolarHBondContact O-CA 3.23Å; L1233-I1241 PolarHBondContact O-N 3.36Å; L1233-R1245 HydrophobicContact CD2-CG 4.12Å; L1233-I1249 HydrophobicContact CD1-CD1 4.37Å; L1233-I1249 HydrophobicContact CD1-CG2 4.46Å; L1233-I1249 HydrophobicContact CD2-CD1 3.66Å |
| 1234 | I | 85.8 | Confident | 84.5 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -112.1 | 127.6 | -173.7 | -164.2 | 172.7 | 0 | 0 | 0 | 112.4 | R1199 W1230 | R1199-I1234 HydrophobicContact CB-CD1 3.96Å; R1199-I1234 HydrophobicContact CG-CD1 4.24Å; R1199-I1234 WeakPolarHBondContact O-CD1 3.32Å; W1230-I1234 HydrophobicContact CZ2-CD1 3.92Å; W1230-I1234 WeakPolarHBondContact O-CG2 3.24Å |
| 1235 | T | 83 | Confident | 84.5 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | trans | -68.6 | 157.4 | 175.4 | -50 | 0 | 0 | 0 | 0 | 110.4 | N1237 G1238 L1239 | T1235-N1237 PolarHBondContact O-N 2.84Å; T1235-G1238 PolarHBondContact O-N 2.79Å; T1235-L1239 VanDerWaalsContact CB-O 3.24Å; T1235-L1239 WeakPolarHBondContact CB-O 3.36Å; T1235-L1239 PolarHBondContact N-O 3.3Å; T1235-L1239 PolarHBondContact OG1-O 3.34Å | ||
| 1236 | S | 74.3 | Confident | 84.6 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 65% | 0.65 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -18.7 | 170.1 | 56.6 | 0 | 0 | 0 | 0 | 115.1 | R1199 | R1199-S1236 PolarHBondContact NH1-O 3.42Å; R1199-S1236 PolarHBondContact NH2-O 2.74Å |
| 1237 | N | 75 | Confident | 84.9 | Confident | 127 Ų | 127 | 61 Ų | 61 | 68% | 0.679 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -2.5 | 177.6 | -65.3 | -11 | 0 | 0 | 0 | 114.8 | T1235 | T1235-N1237 PolarHBondContact O-N 2.84Š|
| 1238 | G | 76.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 61 Ų | 61 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 88.3 | 14.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1200 T1235 | G1200-G1238 VanDerWaalsContact CA-O 3.3Å; G1200-G1238 WeakPolarHBondContact CA-O 3.35Å; T1235-G1238 PolarHBondContact O-N 2.79Å |
| 1239 | L | 80.1 | Confident | 85.2 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 59% | 0.586 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -102.7 | 154.6 | 176.2 | -67.3 | 173.8 | 0 | 0 | 0 | 110.9 | T1235 I1241 | T1235-L1239 VanDerWaalsContact CB-O 3.24Å; T1235-L1239 WeakPolarHBondContact CB-O 3.36Å; T1235-L1239 PolarHBondContact N-O 3.3Å; T1235-L1239 PolarHBondContact OG1-O 3.34Å; L1239-I1241 PolarHBondContact O-N 2.86Å |
| 1240 | P | 82.5 | Confident | 85.4 | Confident | 25 Ų | 25 | 60 Ų | 60 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 137.4 | 175.2 | -2.4 | 12 | 0 | 0 | 0 | 110.1 | N1212 L1214 L1233 D1242 K1243 | N1212-P1240 HydrophobicContact CB-CG 3.74Å; N1212-P1240 WeakPolarHBondContact O-CG 3.5Å; L1214-P1240 HydrophobicContact CD1-CB 4.02Å; L1214-P1240 HydrophobicContact CD1-CG 3.73Å; L1214-P1240 HydrophobicContact CD2-CB 4.41Å; L1214-P1240 HydrophobicContact CG-CB 3.93Å; L1214-P1240 HydrophobicContact CG-CG 3.87Å; L1233-P1240 WeakPolarHBondContact O-CA 3.23Å; P1240-D1242 VanDerWaalsContact C-N 3.35Å; P1240-K1243 HydrophobicContact CG-CG 4.42Å |
| 1241 | I | 83.2 | Confident | 85.7 | Confident | 101 Ų | 101 | 59.3 Ų | 59.3 | 52% | 0.518 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -67.6 | -41.3 | 173.6 | -63.2 | -179.7 | 0 | 0 | 0 | 109.9 | L1233 L1239 | L1233-I1241 PolarHBondContact O-N 3.36Å; L1239-I1241 PolarHBondContact O-N 2.86Å |
| 1242 | D | 86.3 | Confident | 86 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | trans | -145.5 | 125.4 | 168.1 | 169.2 | 28.1 | 0 | 0 | 0 | 109.4 | P1240 R1244 R1245 C1246 | P1240-D1242 VanDerWaalsContact C-N 3.35Å; D1242-R1244 VanDerWaalsContact C-N 3.27Å; D1242-R1244 PolarHBondContact O-N 2.84Å; D1242-R1244 WeakPolarHBondContact OD1-CB 3.32Å; D1242-R1244 PolarHBondContact OD1-N 3.47Å; D1242-R1244 WeakPolarHBondContact OD2-CB 3.38Å; D1242-R1245 HydrophobicContact CB-CB 4.09Å; D1242-R1245 VanDerWaalsContact OD2-CB 3.31Å; D1242-R1245 WeakPolarHBondContact OD2-CB 3.48Å; D1242-R1245 PolarHBondContact OD2-N 3.35Å; D1242-C1246 PolarHBondContact O-N 2.89Å; D1242-C1246 PolarHBondContact O-SG 3.3Å | ||
| 1243 | K | 88.5 | Confident | 86.3 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 175.7 | -67.1 | -172.3 | 174.6 | -165.8 | 0 | 111.5 | N1211 P1240 C1246 F1247 L1269 | N1211-K1243 PolarHBondContact O-NZ 3.3Å; P1240-K1243 HydrophobicContact CG-CG 4.42Å; K1243-C1246 WeakPolarHBondContact O-CB 3.2Å; K1243-C1246 PolarHBondContact O-N 3.45Å; K1243-F1247 HydrophobicContact CB-CE2 4.47Å; K1243-F1247 WeakPolarHBondContact O-CD2 3.45Å; K1243-F1247 PolarHBondContact O-N 3.11Å; K1243-L1269 HydrophobicContact CB-CD2 4.09Å |
| 1244 | R | 89 | Confident | 86.6 | Confident | 116 Ų | 116 | 54.6 Ų | 54.6 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -53.8 | -175.3 | 175.8 | 172 | -168.4 | 153.1 | 9 | 111.1 | D1242 C1246 F1247 E1248 L1269 | D1242-R1244 VanDerWaalsContact C-N 3.27Å; D1242-R1244 PolarHBondContact O-N 2.84Å; D1242-R1244 WeakPolarHBondContact OD1-CB 3.32Å; D1242-R1244 PolarHBondContact OD1-N 3.47Å; D1242-R1244 WeakPolarHBondContact OD2-CB 3.38Å; R1244-C1246 PolarHBondContact O-N 3.41Å; R1244-F1247 PolarHBondContact O-N 2.99Å; R1244-F1247 VanDerWaalsContact O-N 3.1Å; R1244-E1248 HydrophobicContact CG-CG 4.3Å; R1244-E1248 VanDerWaalsContact CG-OE1 3.23Å; R1244-E1248 WeakPolarHBondContact CG-OE1 3.46Å; R1244-E1248 IonicContact CZ-OE1 2.97Å; R1244-E1248 IonicContact NE-OE1 2.74Å; R1244-E1248 PolarHBondContact NE-OE1 3.44Å; R1244-E1248 IonicContact NH2-OE1 2.68Å; R1244-E1248 WeakPolarHBondContact O-CB 3.43Å; R1244-E1248 WeakPolarHBondContact O-CG 3.39Å; R1244-E1248 PolarHBondContact O-N 3.43Å; R1244-L1269 HydrophobicContact CB-CD1 4.05Å; R1244-L1269 HydrophobicContact CB-CD2 4.05Å; R1244-L1269 HydrophobicContact CG-CD1 3.95Å |
| 1245 | R | 88.9 | Confident | 86.8 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.7 | -36.1 | 172.1 | -175.3 | 174.7 | 176.6 | -135.3 | -4.2 | 112.9 | D1232 L1233 D1242 I1249 | D1232-R1245 PolarHBondContact O-NH1 3.37Å; L1233-R1245 HydrophobicContact CD2-CG 4.12Å; D1242-R1245 HydrophobicContact CB-CB 4.09Å; D1242-R1245 VanDerWaalsContact OD2-CB 3.31Å; D1242-R1245 WeakPolarHBondContact OD2-CB 3.48Å; D1242-R1245 PolarHBondContact OD2-N 3.35Å; R1245-I1249 HydrophobicContact CG-CD1 3.76Å; R1245-I1249 WeakPolarHBondContact O-CB 3.5Å; R1245-I1249 WeakPolarHBondContact O-CD1 3.4Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; R1245-I1249 PolarHBondContact O-N 3.46Å |
| 1246 | C | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 175.7 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | C1217 D1242 K1243 R1244 A1250 | C1217-C1246 PolarHBondContact SG-O 2.93Å; D1242-C1246 PolarHBondContact O-N 2.89Å; D1242-C1246 PolarHBondContact O-SG 3.3Å; K1243-C1246 WeakPolarHBondContact O-CB 3.2Å; K1243-C1246 PolarHBondContact O-N 3.45Å; R1244-C1246 PolarHBondContact O-N 3.41Å; C1246-A1250 WeakPolarHBondContact O-CB 3.4Å; C1246-A1250 PolarHBondContact O-N 2.77Å |
| 1247 | F | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 175.4 | -71.1 | -65.9 | 0 | 0 | 0 | 112.4 | W1210 F1216 K1243 R1244 I1249 A1250 F1251 L1265 M1268 L1269 | W1210-F1247 WeakPolarHBondContact O-CE1 3.27Å; W1210-F1247 WeakPolarHBondContact O-CZ 3.19Å; F1216-F1247 HydrophobicContact CD2-CD1 4.14Å; F1216-F1247 AromaticContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CD2-CE1 3.9Å; F1216-F1247 HydrophobicContact CE2-CD1 4.36Å; F1216-F1247 AromaticContact CE2-CE1 3.83Å; F1216-F1247 HydrophobicContact CE2-CE1 3.83Å; K1243-F1247 HydrophobicContact CB-CE2 4.47Å; K1243-F1247 WeakPolarHBondContact O-CD2 3.45Å; K1243-F1247 PolarHBondContact O-N 3.11Å; R1244-F1247 PolarHBondContact O-N 2.99Å; R1244-F1247 VanDerWaalsContact O-N 3.1Å; F1247-I1249 VanDerWaalsContact C-N 3.31Å; F1247-I1249 PolarHBondContact O-N 2.93Å; F1247-A1250 PolarHBondContact O-N 3.37Å; F1247-F1251 HydrophobicContact CB-CE2 4.42Å; F1247-F1251 HydrophobicContact CD1-CZ 4.18Å; F1247-F1251 WeakPolarHBondContact O-CB 3.35Å; F1247-F1251 WeakPolarHBondContact O-CG 3.47Å; F1247-F1251 PolarHBondContact O-N 3.18Å; F1247-L1265 HydrophobicContact CB-CD1 3.36Å; F1247-L1265 HydrophobicContact CG-CD1 4.21Å; F1247-M1268 HydrophobicContact CD1-CB 4.33Å; F1247-M1268 HydrophobicContact CE1-CB 3.88Å; F1247-M1268 HydrophobicContact CE1-CG 4.38Å; F1247-M1268 HydrophobicContact CE2-CB 4.19Å; F1247-M1268 HydrophobicContact CZ-CB 3.8Å; F1247-L1269 HydrophobicContact CD2-CD2 3.76Å; F1247-L1269 HydrophobicContact CD2-CG 4.1Å; F1247-L1269 HydrophobicContact CE2-CD2 3.96Å; F1247-L1269 HydrophobicContact CE2-CG 4.4Å |
| 1248 | E | 91.8 | Very high | 88.5 | Confident | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | -180 | -72.9 | 171.2 | 173.7 | 0 | 0 | 111.7 | R1244 K1252 L1265 | R1244-E1248 HydrophobicContact CG-CG 4.3Å; R1244-E1248 VanDerWaalsContact CG-OE1 3.23Å; R1244-E1248 WeakPolarHBondContact CG-OE1 3.46Å; R1244-E1248 IonicContact CZ-OE1 2.97Å; R1244-E1248 IonicContact NE-OE1 2.74Å; R1244-E1248 PolarHBondContact NE-OE1 3.44Å; R1244-E1248 IonicContact NH2-OE1 2.68Å; R1244-E1248 WeakPolarHBondContact O-CB 3.43Å; R1244-E1248 WeakPolarHBondContact O-CG 3.39Å; R1244-E1248 PolarHBondContact O-N 3.43Å; E1248-K1252 WeakPolarHBondContact O-CB 3.36Å; E1248-K1252 PolarHBondContact O-N 3.39Å; E1248-K1252 VanDerWaalsContact O-N 3.08Å; E1248-L1265 HydrophobicContact CG-CD1 4.09Å; E1248-L1265 HydrophobicContact CG-CD2 3.6Å |
| 1249 | I | 91.3 | Very high | 89.1 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 18% | 0.179 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.2 | -45 | 173.5 | -71.9 | 166.9 | 0 | 0 | 0 | 111.7 | I1228 P1229 L1233 R1245 F1247 F1251 K1252 V1253 | I1228-I1249 HydrophobicContact CG1-CG2 4.3Å; P1229-I1249 HydrophobicContact CG-CD1 4.44Å; L1233-I1249 HydrophobicContact CD1-CD1 4.37Å; L1233-I1249 HydrophobicContact CD1-CG2 4.46Å; L1233-I1249 HydrophobicContact CD2-CD1 3.66Å; R1245-I1249 HydrophobicContact CG-CD1 3.76Å; R1245-I1249 WeakPolarHBondContact O-CB 3.5Å; R1245-I1249 WeakPolarHBondContact O-CD1 3.4Å; R1245-I1249 WeakPolarHBondContact O-CG1 3.31Å; R1245-I1249 PolarHBondContact O-N 3.46Å; F1247-I1249 VanDerWaalsContact C-N 3.31Å; F1247-I1249 PolarHBondContact O-N 2.93Å; I1249-F1251 PolarHBondContact O-N 3.4Å; I1249-K1252 PolarHBondContact O-N 3.32Å; I1249-V1253 HydrophobicContact CG2-CG2 4.28Å; I1249-V1253 WeakPolarHBondContact O-CB 3.33Å; I1249-V1253 VanDerWaalsContact O-CG2 3.28Å; I1249-V1253 WeakPolarHBondContact O-CG2 3.37Å; I1249-V1253 PolarHBondContact O-N 3.34Å |
| 1250 | A | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1216 L1220 C1246 F1247 A1254 | F1216-A1250 HydrophobicContact CB-CB 3.68Å; L1220-A1250 HydrophobicContact CD1-CB 4.2Å; L1220-A1250 WeakPolarHBondContact CD1-O 3.44Å; C1246-A1250 WeakPolarHBondContact O-CB 3.4Å; C1246-A1250 PolarHBondContact O-N 2.77Å; F1247-A1250 PolarHBondContact O-N 3.37Å; A1250-A1254 WeakPolarHBondContact O-CB 3.31Å; A1250-A1254 PolarHBondContact O-N 2.74Å |
| 1251 | F | 93 | Very high | 89.4 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 178.5 | -67 | -15.4 | 0 | 0 | 0 | 111.7 | F1247 I1249 V1253 A1254 E1255 T1261 L1263 L1265 M1268 Y1282 | F1247-F1251 HydrophobicContact CB-CE2 4.42Å; F1247-F1251 HydrophobicContact CD1-CZ 4.18Å; F1247-F1251 WeakPolarHBondContact O-CB 3.35Å; F1247-F1251 WeakPolarHBondContact O-CG 3.47Å; F1247-F1251 PolarHBondContact O-N 3.18Å; I1249-F1251 PolarHBondContact O-N 3.4Å; F1251-V1253 PolarHBondContact O-N 3.32Å; F1251-A1254 PolarHBondContact O-N 3.4Å; F1251-E1255 WeakPolarHBondContact O-CG 3.4Å; F1251-E1255 PolarHBondContact O-N 3.49Å; F1251-T1261 HydrophobicContact CB-CG2 3.86Å; F1251-T1261 HydrophobicContact CD1-CG2 4.35Å; F1251-T1261 HydrophobicContact CG-CG2 4.16Å; F1251-L1263 HydrophobicContact CE1-CB 4.19Å; F1251-L1263 HydrophobicContact CE1-CD1 4.2Å; F1251-L1263 HydrophobicContact CE2-CB 4.31Å; F1251-L1263 HydrophobicContact CZ-CB 3.65Å; F1251-L1263 HydrophobicContact CZ-CD1 4.11Å; F1251-L1265 HydrophobicContact CE2-CB 4.43Å; F1251-L1265 HydrophobicContact CE2-CD1 4.49Å; F1251-M1268 HydrophobicContact CZ-CG 4.33Å; F1251-Y1282 HydrophobicContact CD1-CE1 4.18Å; F1251-Y1282 AromaticContact CE1-CE1 3.88Å; F1251-Y1282 HydrophobicContact CE1-CE1 3.88Å |
| 1252 | K | 92.1 | Very high | 89.4 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 173.9 | 177.9 | 172.2 | 176.7 | 177.8 | 0 | 112 | E1248 I1249 A1254 E1255 D1256 | E1248-K1252 WeakPolarHBondContact O-CB 3.36Å; E1248-K1252 PolarHBondContact O-N 3.39Å; E1248-K1252 VanDerWaalsContact O-N 3.08Å; I1249-K1252 PolarHBondContact O-N 3.32Å; K1252-A1254 VanDerWaalsContact C-N 3.27Å; K1252-A1254 PolarHBondContact O-N 3Å; K1252-E1255 PolarHBondContact O-N 2.9Å; K1252-D1256 WeakPolarHBondContact CE-OD1 3.46Å; K1252-D1256 WeakPolarHBondContact CE-OD2 3.45Å; K1252-D1256 WeakPolarHBondContact O-CB 3.34Å; K1252-D1256 PolarHBondContact O-N 3.21Å |
| 1253 | V | 91.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -29.8 | -179.7 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | V1224 K1227 I1228 I1249 F1251 E1257 | V1224-V1253 HydrophobicContact CG2-CG1 3.68Å; K1227-V1253 HydrophobicContact CB-CG1 3.75Å; K1227-V1253 HydrophobicContact CB-CG2 3.9Å; K1227-V1253 HydrophobicContact CD-CG1 4.04Å; I1228-V1253 HydrophobicContact CD1-CB 4.36Å; I1228-V1253 HydrophobicContact CD1-CG1 3.99Å; I1228-V1253 HydrophobicContact CG1-CB 4.23Å; I1228-V1253 HydrophobicContact CG1-CG1 4.01Å; I1228-V1253 HydrophobicContact CG1-CG2 3.94Å; I1249-V1253 HydrophobicContact CG2-CG2 4.28Å; I1249-V1253 WeakPolarHBondContact O-CB 3.33Å; I1249-V1253 VanDerWaalsContact O-CG2 3.28Å; I1249-V1253 WeakPolarHBondContact O-CG2 3.37Å; I1249-V1253 PolarHBondContact O-N 3.34Å; F1251-V1253 PolarHBondContact O-N 3.32Å; V1253-E1257 WeakPolarHBondContact O-CG 3.38Å; V1253-E1257 PolarHBondContact O-N 3.09Å |
| 1254 | A | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1220 A1250 F1251 K1252 E1257 G1258 I1259 Y1282 | L1220-A1254 HydrophobicContact CD1-CB 4.24Å; A1250-A1254 WeakPolarHBondContact O-CB 3.31Å; A1250-A1254 PolarHBondContact O-N 2.74Å; F1251-A1254 PolarHBondContact O-N 3.4Å; K1252-A1254 VanDerWaalsContact C-N 3.27Å; K1252-A1254 PolarHBondContact O-N 3Å; A1254-E1257 CarbonylContact O-C 3.53Å; A1254-E1257 PolarHBondContact O-N 3.38Å; A1254-G1258 PolarHBondContact O-N 2.96Å; A1254-G1258 VanDerWaalsContact O-N 3.16Å; A1254-I1259 HydrophobicContact CB-CB 4.15Å; A1254-I1259 PolarHBondContact O-N 3Å; A1254-Y1282 WeakPolarHBondContact CB-OH 3.26Å |
| 1255 | E | 91.4 | Very high | 89.2 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 174.6 | -71.1 | 167.9 | -176.3 | 0 | 0 | 111.8 | F1251 K1252 E1257 G1258 T1261 | F1251-E1255 WeakPolarHBondContact O-CG 3.4Å; F1251-E1255 PolarHBondContact O-N 3.49Å; K1252-E1255 PolarHBondContact O-N 2.9Å; E1255-E1257 PolarHBondContact O-N 3.48Å; E1255-E1257 VanDerWaalsContact O-N 3.09Å; E1255-G1258 PolarHBondContact O-N 3.49Å; E1255-T1261 HydrophobicContact CG-CG2 3.65Å; E1255-T1261 WeakPolarHBondContact OE1-CB 3.44Å; E1255-T1261 VanDerWaalsContact OE1-CG2 3.25Å; E1255-T1261 WeakPolarHBondContact OE1-CG2 3.16Å; E1255-T1261 PolarHBondContact OE1-OG1 3.47Å |
| 1256 | D | 90.8 | Very high | 88.9 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -5.9 | 174.4 | -70.1 | -18.4 | 0 | 0 | 0 | 113 | K1227 K1252 | K1227-D1256 PolarHBondContact NZ-O 3.45Å; K1252-D1256 WeakPolarHBondContact CE-OD1 3.46Å; K1252-D1256 WeakPolarHBondContact CE-OD2 3.45Å; K1252-D1256 WeakPolarHBondContact O-CB 3.34Å; K1252-D1256 PolarHBondContact O-N 3.21Å |
| 1257 | E | 88.3 | Confident | 88.5 | Confident | 58 Ų | 58 | 55 Ų | 55 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 4 | 173.1 | -61.7 | -78 | 142.1 | 0 | 0 | 111.7 | K1227 V1253 A1254 E1255 H1289 Y1290 | K1227-E1257 WeakPolarHBondContact CD-OE1 3.21Å; K1227-E1257 WeakPolarHBondContact CE-OE1 3.41Å; K1227-E1257 IonicContact NZ-OE1 2.62Å; K1227-E1257 PolarHBondContact NZ-OE1 3.48Å; V1253-E1257 WeakPolarHBondContact O-CG 3.38Å; V1253-E1257 PolarHBondContact O-N 3.09Å; A1254-E1257 CarbonylContact O-C 3.53Å; A1254-E1257 PolarHBondContact O-N 3.38Å; E1255-E1257 PolarHBondContact O-N 3.48Å; E1255-E1257 VanDerWaalsContact O-N 3.09Å; E1257-H1289 PolarHBondContact O-CE1 3.31Å; E1257-H1289 PolarHBondContact O-NE2 3.2Å; E1257-Y1290 WeakPolarHBondContact CG-OH 3.35Å |
| 1258 | G | 87.4 | Confident | 88.2 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A1254 E1255 P1260 | A1254-G1258 PolarHBondContact O-N 2.96Å; A1254-G1258 VanDerWaalsContact O-N 3.16Å; E1255-G1258 PolarHBondContact O-N 3.49Å; G1258-P1260 WeakPolarHBondContact O-CD 3.47Å |
| 1259 | I | 89.7 | Confident | 87.9 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | trans | -85.1 | 116.1 | -180 | -57.3 | 166.7 | 0 | 0 | 0 | 109.9 | A1254 T1261 Y1282 V1286 H1289 Y1290 | A1254-I1259 HydrophobicContact CB-CB 4.15Å; A1254-I1259 PolarHBondContact O-N 3Å; I1259-T1261 PolarHBondContact O-N 3.42Å; I1259-Y1282 HydrophobicContact CG2-CE2 4.24Å; I1259-V1286 HydrophobicContact CD1-CG1 4.5Å; I1259-V1286 HydrophobicContact CD1-CG2 4.33Å; I1259-V1286 HydrophobicContact CG2-CG2 4.12Å; I1259-H1289 HydrophobicContact CD1-CB 4.08Å; I1259-H1289 HydrophobicContact CG1-CB 3.85Å; I1259-Y1290 HydrophobicContact CD1-CD2 4.12Å; I1259-Y1290 HydrophobicContact CD1-CE2 3.51Å | ||
| 1260 | P | 83.6 | Confident | 87.5 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 56% | 0.558 | 31% | 0.313 | S | S | * | . | trans | -68.6 | 129.3 | -174.8 | 26.4 | -34.4 | 0 | 0 | 0 | 112.9 | G1258 T1262 | G1258-P1260 WeakPolarHBondContact O-CD 3.47Å; P1260-T1262 PolarHBondContact O-N 3.17Å | ||
| 1261 | T | 84.1 | Confident | 87 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | -79.8 | 78.7 | -176.8 | 37.1 | 0 | 0 | 0 | 0 | 112.7 | F1251 E1255 I1259 L1263 Y1282 | F1251-T1261 HydrophobicContact CB-CG2 3.86Å; F1251-T1261 HydrophobicContact CD1-CG2 4.35Å; F1251-T1261 HydrophobicContact CG-CG2 4.16Å; E1255-T1261 HydrophobicContact CG-CG2 3.65Å; E1255-T1261 WeakPolarHBondContact OE1-CB 3.44Å; E1255-T1261 VanDerWaalsContact OE1-CG2 3.25Å; E1255-T1261 WeakPolarHBondContact OE1-CG2 3.16Å; E1255-T1261 PolarHBondContact OE1-OG1 3.47Å; I1259-T1261 PolarHBondContact O-N 3.42Å; T1261-L1263 PolarHBondContact O-N 2.83Å; T1261-Y1282 HydrophobicContact CG2-CE2 4.22Å | ||
| 1262 | T | 84.2 | Confident | 86.5 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | trans | -69.8 | -9.6 | 175.2 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | P1260 Y1282 | P1260-T1262 PolarHBondContact O-N 3.17Å; T1262-Y1282 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 1263 | L | 87.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -97.6 | 127.4 | 175.6 | -68 | 178.5 | 0 | 0 | 0 | 112 | F1216 F1251 T1261 M1268 V1279 Y1282 | F1216-L1263 HydrophobicContact CE1-CD1 4.09Å; F1216-L1263 HydrophobicContact CE2-CD1 4.44Å; F1216-L1263 HydrophobicContact CZ-CD1 3.64Å; F1251-L1263 HydrophobicContact CE1-CB 4.19Å; F1251-L1263 HydrophobicContact CE1-CD1 4.2Å; F1251-L1263 HydrophobicContact CE2-CB 4.31Å; F1251-L1263 HydrophobicContact CZ-CB 3.65Å; F1251-L1263 HydrophobicContact CZ-CD1 4.11Å; T1261-L1263 PolarHBondContact O-N 2.83Å; L1263-M1268 HydrophobicContact CB-CG 4.44Å; L1263-M1268 HydrophobicContact CD1-SD 4.19Å; L1263-M1268 HydrophobicContact CD2-CE 4.35Å; L1263-M1268 HydrophobicContact CD2-SD 4.16Å; L1263-V1279 HydrophobicContact CD1-CG2 4.13Å; L1263-V1279 HydrophobicContact CD2-CG2 4.14Å; L1263-Y1282 HydrophobicContact CD1-CD1 3.51Å; L1263-Y1282 HydrophobicContact CD1-CE1 4.27Å; L1263-Y1282 HydrophobicContact CD1-CG 3.83Å; L1263-Y1282 HydrophobicContact CG-CD1 4.13Å; L1263-Y1282 HydrophobicContact CG-CG 3.94Å |
| 1264 | K | 84.7 | Confident | 86.1 | Confident | 147 Ų | 147 | 67.6 Ų | 67.6 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | trans | -80.6 | 127.7 | 172.5 | -64.4 | 177 | -173 | 167.3 | 0 | 110.9 | Q1266 D1267 M1268 | K1264-Q1266 VanDerWaalsContact C-N 3.28Å; K1264-Q1266 PolarHBondContact O-N 3.28Å; K1264-D1267 HydrophobicContact CB-CB 4.3Å; K1264-D1267 PolarHBondContact O-N 2.86Å; K1264-M1268 PolarHBondContact O-N 3.24Å | ||
| 1265 | L | 86.2 | Confident | 86 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -52.8 | -40.5 | 177.9 | 178.2 | 63.4 | 0 | 0 | 0 | 113.6 | F1247 E1248 F1251 L1269 | F1247-L1265 HydrophobicContact CB-CD1 3.36Å; F1247-L1265 HydrophobicContact CG-CD1 4.21Å; E1248-L1265 HydrophobicContact CG-CD1 4.09Å; E1248-L1265 HydrophobicContact CG-CD2 3.6Å; F1251-L1265 HydrophobicContact CE2-CB 4.43Å; F1251-L1265 HydrophobicContact CE2-CD1 4.49Å; L1265-L1269 HydrophobicContact CD1-CD1 3.86Å; L1265-L1269 HydrophobicContact CD1-CG 4.33Å; L1265-L1269 HydrophobicContact CG-CD1 3.93Å; L1265-L1269 WeakPolarHBondContact O-CB 3.41Å; L1265-L1269 WeakPolarHBondContact O-CG 3.21Å; L1265-L1269 PolarHBondContact O-N 2.66Å; L1265-L1269 VanDerWaalsContact O-N 3.14Å |
| 1266 | Q | 82.6 | Confident | 86.1 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 49% | 0.486 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | -179.3 | -65.9 | -61.2 | -22.5 | 0 | 0 | 112.2 | K1264 M1268 L1269 T1270 | K1264-Q1266 VanDerWaalsContact C-N 3.28Å; K1264-Q1266 PolarHBondContact O-N 3.28Å; Q1266-M1268 VanDerWaalsContact C-N 3.27Å; Q1266-M1268 PolarHBondContact O-N 3.43Å; Q1266-L1269 PolarHBondContact O-N 3.43Å; Q1266-L1269 VanDerWaalsContact O-N 3.16Å; Q1266-T1270 WeakPolarHBondContact O-CB 3.35Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.31Å; Q1266-T1270 PolarHBondContact O-N 3.48Å; Q1266-T1270 PolarHBondContact O-OG1 3.23Å |
| 1267 | D | 83.5 | Confident | 86.2 | Confident | 78 Ų | 78 | 71.4 Ų | 71.4 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | -177.6 | -55 | 3.3 | 0 | 0 | 0 | 110.7 | K1264 T1270 T1271 | K1264-D1267 HydrophobicContact CB-CB 4.3Å; K1264-D1267 PolarHBondContact O-N 2.86Å; D1267-T1270 PolarHBondContact O-OG1 3.05Å; D1267-T1271 WeakPolarHBondContact O-CB 3.29Å; D1267-T1271 PolarHBondContact O-N 3.02Å; D1267-T1271 PolarHBondContact O-OG1 3.44Å |
| 1268 | M | 86 | Confident | 86.3 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.1 | -27.1 | 175.1 | -60.1 | -60.7 | 91.3 | 0 | 0 | 114.2 | F1247 F1251 L1263 K1264 Q1266 P1274 V1279 | F1247-M1268 HydrophobicContact CD1-CB 4.33Å; F1247-M1268 HydrophobicContact CE1-CB 3.88Å; F1247-M1268 HydrophobicContact CE1-CG 4.38Å; F1247-M1268 HydrophobicContact CE2-CB 4.19Å; F1247-M1268 HydrophobicContact CZ-CB 3.8Å; F1251-M1268 HydrophobicContact CZ-CG 4.33Å; L1263-M1268 HydrophobicContact CB-CG 4.44Å; L1263-M1268 HydrophobicContact CD1-SD 4.19Å; L1263-M1268 HydrophobicContact CD2-CE 4.35Å; L1263-M1268 HydrophobicContact CD2-SD 4.16Å; K1264-M1268 PolarHBondContact O-N 3.24Å; Q1266-M1268 VanDerWaalsContact C-N 3.27Å; Q1266-M1268 PolarHBondContact O-N 3.43Å; M1268-P1274 HydrophobicContact CE-CB 3.71Å; M1268-P1274 HydrophobicContact CE-CG 4.19Å; M1268-P1274 HydrophobicContact SD-CB 3.75Å; M1268-P1274 HydrophobicContact SD-CG 3.85Å; M1268-V1279 HydrophobicContact SD-CG2 4.03Å |
| 1269 | L | 85.1 | Confident | 86.6 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 27% | 0.272 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -86.2 | -34.5 | 178 | -78 | 171.9 | 0 | 0 | 0 | 113.4 | K1243 R1244 F1247 L1265 Q1266 | K1243-L1269 HydrophobicContact CB-CD2 4.09Å; R1244-L1269 HydrophobicContact CB-CD1 4.05Å; R1244-L1269 HydrophobicContact CB-CD2 4.05Å; R1244-L1269 HydrophobicContact CG-CD1 3.95Å; F1247-L1269 HydrophobicContact CD2-CD2 3.76Å; F1247-L1269 HydrophobicContact CD2-CG 4.1Å; F1247-L1269 HydrophobicContact CE2-CD2 3.96Å; F1247-L1269 HydrophobicContact CE2-CG 4.4Å; L1265-L1269 HydrophobicContact CD1-CD1 3.86Å; L1265-L1269 HydrophobicContact CD1-CG 4.33Å; L1265-L1269 HydrophobicContact CG-CD1 3.93Å; L1265-L1269 WeakPolarHBondContact O-CB 3.41Å; L1265-L1269 WeakPolarHBondContact O-CG 3.21Å; L1265-L1269 PolarHBondContact O-N 2.66Å; L1265-L1269 VanDerWaalsContact O-N 3.14Å; Q1266-L1269 PolarHBondContact O-N 3.43Å; Q1266-L1269 VanDerWaalsContact O-N 3.16Å |
| 1270 | T | 81.7 | Confident | 86.8 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 64% | 0.644 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -78.2 | -28 | -179.7 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | Q1266 D1267 | Q1266-T1270 WeakPolarHBondContact O-CB 3.35Å; Q1266-T1270 WeakPolarHBondContact O-CG2 3.31Å; Q1266-T1270 PolarHBondContact O-N 3.48Å; Q1266-T1270 PolarHBondContact O-OG1 3.23Å; D1267-T1270 PolarHBondContact O-OG1 3.05Å |
| 1271 | T | 81.8 | Confident | 87.2 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | trans | -111.5 | 113.1 | -172.1 | -41.2 | 0 | 0 | 0 | 0 | 111.5 | D1267 R1273 P1274 | D1267-T1271 WeakPolarHBondContact O-CB 3.29Å; D1267-T1271 PolarHBondContact O-N 3.02Å; D1267-T1271 PolarHBondContact O-OG1 3.44Å; T1271-R1273 VanDerWaalsContact CG2-O 3.28Å; T1271-R1273 WeakPolarHBondContact CG2-O 3.31Å; T1271-R1273 PolarHBondContact O-N 3.06Å; T1271-P1274 WeakPolarHBondContact O-CD 3.27Å | ||
| 1272 | E | 83.2 | Confident | 87.6 | Confident | 149 Ų | 149 | 66 Ų | 66 | 70% | 0.696 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -61.2 | -17 | 174.9 | -65.9 | -156.3 | 131 | 0 | 0 | 113.8 | N1211 | N1211-E1272 VanDerWaalsContact CB-O 3.24Å; N1211-E1272 WeakPolarHBondContact CB-O 3.34Å; N1211-E1272 PolarHBondContact ND2-O 3.36Å |
| 1273 | R | 86.3 | Confident | 88.1 | Confident | 134 Ų | 134 | 62.2 Ų | 62.2 | 51% | 0.506 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -129.7 | 85.4 | 175.7 | -166.5 | 174.7 | -171.6 | -175.5 | -0.4 | 109.6 | S1207 T1271 | S1207-R1273 PolarHBondContact OG-NE 2.92Å; T1271-R1273 VanDerWaalsContact CG2-O 3.28Å; T1271-R1273 WeakPolarHBondContact CG2-O 3.31Å; T1271-R1273 PolarHBondContact O-N 3.06Å |
| 1274 | P | 88.1 | Confident | 88.3 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | trans | -43.4 | 148.7 | 172.2 | -34.3 | 38.2 | 0 | 0 | 0 | 113.4 | S1207 N1211 M1268 T1271 W1276 V1279 | S1207-P1274 VanDerWaalsContact CB-O 3.24Å; S1207-P1274 WeakPolarHBondContact CB-O 3.35Å; N1211-P1274 HydrophobicContact CB-CG 4.29Å; M1268-P1274 HydrophobicContact CE-CB 3.71Å; M1268-P1274 HydrophobicContact CE-CG 4.19Å; M1268-P1274 HydrophobicContact SD-CB 3.75Å; M1268-P1274 HydrophobicContact SD-CG 3.85Å; T1271-P1274 WeakPolarHBondContact O-CD 3.27Å; P1274-W1276 PolarHBondContact O-N 3.3Å; P1274-W1276 VanDerWaalsContact O-N 3.16Å; P1274-V1279 HydrophobicContact CB-CG2 3.71Å | ||
| 1275 | D | 90 | Very high | 88.6 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | trans | -57.6 | 124.6 | 165.4 | 173.1 | 45.8 | 0 | 0 | 0 | 109.2 | N1277 S1278 V1279 | D1275-N1277 VanDerWaalsContact C-N 3.26Å; D1275-N1277 PolarHBondContact O-N 2.93Å; D1275-N1277 PolarHBondContact OD1-N 2.88Å; D1275-N1277 WeakPolarHBondContact OD2-CA 3.49Å; D1275-N1277 WeakPolarHBondContact OD2-CB 3.39Å; D1275-N1277 PolarHBondContact OD2-N 3.34Å; D1275-N1277 VanDerWaalsContact OD2-N 3.15Å; D1275-S1278 PolarHBondContact OD2-N 2.83Å; D1275-S1278 PolarHBondContact OD2-OG 2.97Å; D1275-S1278 VanDerWaalsContact OD2-OG 3.09Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.44Å; D1275-V1279 PolarHBondContact O-N 3.3Å | ||
| 1276 | W | 92.2 | Very high | 88.9 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 41% | 0.409 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.5 | -25.2 | -174.7 | 69.9 | -94.2 | 0 | 0 | 0 | 111.9 | R1184 F1206 P1274 M1280 | R1184-W1276 VanDerWaalsContact NH1-CH2 3.29Å; F1206-W1276 HydrophobicContact CB-CB 4.24Å; F1206-W1276 VanDerWaalsContact O-CA 3.31Å; F1206-W1276 WeakPolarHBondContact O-CA 3.43Å; P1274-W1276 PolarHBondContact O-N 3.3Å; P1274-W1276 VanDerWaalsContact O-N 3.16Å; W1276-M1280 HydrophobicContact CE3-CB 4.36Å; W1276-M1280 WeakPolarHBondContact O-CB 3.37Å; W1276-M1280 PolarHBondContact O-N 3.45Å |
| 1277 | N | 92.6 | Very high | 89.4 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -78.6 | -41.3 | -177.1 | -166.9 | 60.6 | 0 | 0 | 0 | 111.1 | D1275 M1280 T1281 | D1275-N1277 VanDerWaalsContact C-N 3.26Å; D1275-N1277 PolarHBondContact O-N 2.93Å; D1275-N1277 PolarHBondContact OD1-N 2.88Å; D1275-N1277 WeakPolarHBondContact OD2-CA 3.49Å; D1275-N1277 WeakPolarHBondContact OD2-CB 3.39Å; D1275-N1277 PolarHBondContact OD2-N 3.34Å; D1275-N1277 VanDerWaalsContact OD2-N 3.15Å; N1277-M1280 PolarHBondContact O-N 3.39Å; N1277-T1281 WeakPolarHBondContact O-CB 3.38Å; N1277-T1281 PolarHBondContact O-N 2.98Å; N1277-T1281 PolarHBondContact O-OG1 3.27Å |
| 1278 | S | 91.7 | Very high | 89.6 | Confident | 54 Ų | 54 | 52 Ų | 52 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 169.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | D1275 T1281 Y1282 | D1275-S1278 PolarHBondContact OD2-N 2.83Å; D1275-S1278 PolarHBondContact OD2-OG 2.97Å; D1275-S1278 VanDerWaalsContact OD2-OG 3.09Å; S1278-T1281 PolarHBondContact O-N 3.17Å; S1278-Y1282 PolarHBondContact O-N 3.43Å |
| 1279 | V | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | F1206 W1210 F1216 L1263 M1268 P1274 D1275 T1281 Y1282 I1283 | F1206-V1279 HydrophobicContact CB-CG1 4.33Å; F1206-V1279 HydrophobicContact CD1-CG1 4.47Å; F1206-V1279 VanDerWaalsContact O-CB 3.26Å; F1206-V1279 WeakPolarHBondContact O-CB 3.37Å; F1206-V1279 WeakPolarHBondContact O-CG1 3.45Å; W1210-V1279 HydrophobicContact CB-CG1 4.28Å; W1210-V1279 HydrophobicContact CD2-CG1 4.29Å; W1210-V1279 HydrophobicContact CG-CG1 3.9Å; F1216-V1279 HydrophobicContact CE1-CG1 4.49Å; F1216-V1279 HydrophobicContact CZ-CG1 4.06Å; F1216-V1279 HydrophobicContact CZ-CG2 4.48Å; L1263-V1279 HydrophobicContact CD1-CG2 4.13Å; L1263-V1279 HydrophobicContact CD2-CG2 4.14Å; M1268-V1279 HydrophobicContact SD-CG2 4.03Å; P1274-V1279 HydrophobicContact CB-CG2 3.71Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.44Å; D1275-V1279 PolarHBondContact O-N 3.3Å; V1279-T1281 VanDerWaalsContact C-N 3.28Å; V1279-T1281 PolarHBondContact O-N 3.5Å; V1279-Y1282 PolarHBondContact O-N 2.95Å; V1279-I1283 HydrophobicContact CG1-CG1 4.25Å; V1279-I1283 WeakPolarHBondContact O-CB 3.47Å; V1279-I1283 VanDerWaalsContact O-CG1 3.27Å; V1279-I1283 WeakPolarHBondContact O-CG1 3.48Å; V1279-I1283 PolarHBondContact O-N 3.05Å |
| 1280 | M | 93.3 | Very high | 89.9 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.3 | -42.8 | 173.3 | 176.2 | 80 | -163 | 0 | 0 | 111.5 | L1171 R1184 L1187 F1206 W1276 N1277 T1284 | L1171-M1280 HydrophobicContact CD1-CE 4.21Å; R1184-M1280 HydrophobicContact CB-CE 4.49Å; R1184-M1280 HydrophobicContact CG-SD 4.18Å; L1187-M1280 HydrophobicContact CB-CE 3.99Å; L1187-M1280 HydrophobicContact CD2-CE 3.44Å; L1187-M1280 VanDerWaalsContact CD2-CE 3.44Å; L1187-M1280 HydrophobicContact CD2-SD 3.8Å; L1187-M1280 HydrophobicContact CG-CE 4.37Å; F1206-M1280 HydrophobicContact CB-CB 4.46Å; F1206-M1280 HydrophobicContact CD1-SD 4.41Å; F1206-M1280 HydrophobicContact CD2-SD 3.67Å; F1206-M1280 HydrophobicContact CE1-SD 4.19Å; F1206-M1280 HydrophobicContact CE2-SD 3.41Å; F1206-M1280 WeakPolarHBondContact CE2-SD 3.31Å; F1206-M1280 HydrophobicContact CG-CB 4.32Å; F1206-M1280 HydrophobicContact CG-SD 4.17Å; F1206-M1280 HydrophobicContact CZ-SD 3.69Å; W1276-M1280 HydrophobicContact CE3-CB 4.36Å; W1276-M1280 WeakPolarHBondContact O-CB 3.37Å; W1276-M1280 PolarHBondContact O-N 3.45Å; N1277-M1280 PolarHBondContact O-N 3.39Å; M1280-T1284 WeakPolarHBondContact O-CB 3.42Å; M1280-T1284 PolarHBondContact O-N 2.8Å; M1280-T1284 PolarHBondContact O-OG1 3.19Å |
| 1281 | T | 91.5 | Very high | 90.1 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -48.7 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | N1277 S1278 V1279 I1283 T1284 S1285 | N1277-T1281 WeakPolarHBondContact O-CB 3.38Å; N1277-T1281 PolarHBondContact O-N 2.98Å; N1277-T1281 PolarHBondContact O-OG1 3.27Å; S1278-T1281 PolarHBondContact O-N 3.17Å; V1279-T1281 VanDerWaalsContact C-N 3.28Å; V1279-T1281 PolarHBondContact O-N 3.5Å; T1281-I1283 PolarHBondContact O-N 2.96Å; T1281-T1284 WeakPolarHBondContact O-CA 3.45Å; T1281-T1284 VanDerWaalsContact O-CB 3.26Å; T1281-T1284 WeakPolarHBondContact O-CB 3.24Å; T1281-T1284 PolarHBondContact O-N 2.92Å; T1281-S1285 PolarHBondContact O-N 3.4Å; T1281-S1285 PolarHBondContact O-OG 3.46Å |
| 1282 | Y | 94.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 177.9 | 179.7 | -111.9 | 0 | 0 | 0 | 112.6 | F1216 F1251 A1254 I1259 T1261 T1262 L1263 S1278 V1279 T1284 S1285 V1286 | F1216-Y1282 HydrophobicContact CD1-CD1 4.2Å; F1216-Y1282 AromaticContact CD1-CE1 3.95Å; F1216-Y1282 HydrophobicContact CD1-CE1 3.95Å; F1216-Y1282 AromaticContact CE1-CD1 3.67Å; F1216-Y1282 HydrophobicContact CE1-CD1 3.67Å; F1216-Y1282 AromaticContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CE1-CE1 3.89Å; F1216-Y1282 HydrophobicContact CZ-CD1 4.45Å; F1251-Y1282 HydrophobicContact CD1-CE1 4.18Å; F1251-Y1282 AromaticContact CE1-CE1 3.88Å; F1251-Y1282 HydrophobicContact CE1-CE1 3.88Å; A1254-Y1282 WeakPolarHBondContact CB-OH 3.26Å; I1259-Y1282 HydrophobicContact CG2-CE2 4.24Å; T1261-Y1282 HydrophobicContact CG2-CE2 4.22Å; T1262-Y1282 WeakPolarHBondContact OG1-CB 3.42Å; L1263-Y1282 HydrophobicContact CD1-CD1 3.51Å; L1263-Y1282 HydrophobicContact CD1-CE1 4.27Å; L1263-Y1282 HydrophobicContact CD1-CG 3.83Å; L1263-Y1282 HydrophobicContact CG-CD1 4.13Å; L1263-Y1282 HydrophobicContact CG-CG 3.94Å; S1278-Y1282 PolarHBondContact O-N 3.43Å; V1279-Y1282 PolarHBondContact O-N 2.95Å; Y1282-T1284 PolarHBondContact O-N 3.35Å; Y1282-S1285 WeakPolarHBondContact O-CB 3.49Å; Y1282-S1285 PolarHBondContact O-N 3.42Å; Y1282-V1286 HydrophobicContact CE1-CG2 4.31Å; Y1282-V1286 PolarHBondContact O-N 2.93Å |
| 1283 | I | 94.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -28.5 | 173.5 | -65.3 | -66 | 0 | 0 | 0 | 111.8 | L1187 W1190 F1206 W1210 F1216 L1219 V1279 T1281 V1286 Y1287 | L1187-I1283 HydrophobicContact CD1-CG2 4.25Å; L1187-I1283 HydrophobicContact CD2-CB 4.41Å; L1187-I1283 HydrophobicContact CD2-CG2 3.9Å; L1187-I1283 HydrophobicContact CG-CG2 4.01Å; W1190-I1283 HydrophobicContact CZ3-CG2 3.88Å; F1206-I1283 HydrophobicContact CE1-CB 4.47Å; F1206-I1283 HydrophobicContact CE1-CG2 4.14Å; W1210-I1283 HydrophobicContact CE3-CD1 4.01Å; W1210-I1283 HydrophobicContact CH2-CD1 3.53Å; W1210-I1283 HydrophobicContact CH2-CG1 4.15Å; W1210-I1283 HydrophobicContact CZ2-CD1 4.17Å; W1210-I1283 HydrophobicContact CZ2-CG1 4.3Å; W1210-I1283 HydrophobicContact CZ3-CD1 3.43Å; W1210-I1283 VanDerWaalsContact CZ3-CD1 3.43Å; W1210-I1283 HydrophobicContact CZ3-CG1 4.31Å; F1216-I1283 HydrophobicContact CD1-CD1 3.74Å; F1216-I1283 HydrophobicContact CE1-CD1 3.53Å; F1216-I1283 HydrophobicContact CE1-CG1 4.04Å; L1219-I1283 HydrophobicContact CD2-CD1 3.73Å; L1219-I1283 HydrophobicContact CD2-CG2 4.48Å; V1279-I1283 HydrophobicContact CG1-CG1 4.25Å; V1279-I1283 WeakPolarHBondContact O-CB 3.47Å; V1279-I1283 VanDerWaalsContact O-CG1 3.27Å; V1279-I1283 WeakPolarHBondContact O-CG1 3.48Å; V1279-I1283 PolarHBondContact O-N 3.05Å; T1281-I1283 PolarHBondContact O-N 2.96Å; I1283-V1286 PolarHBondContact O-N 3.26Å; I1283-Y1287 WeakPolarHBondContact O-CB 3.49Å; I1283-Y1287 PolarHBondContact O-N 2.87Å |
| 1284 | T | 92.1 | Very high | 87.6 | Confident | 19 Ų | 19 | 44 Ų | 44 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 171.1 | -59 | 0 | 0 | 0 | 0 | 111.6 | L1171 L1187 M1280 T1281 Y1282 Y1287 R1288 | L1171-T1284 HydrophobicContact CD1-CG2 3.65Å; L1171-T1284 HydrophobicContact CD2-CG2 4.23Å; L1171-T1284 HydrophobicContact CG-CG2 3.97Å; L1187-T1284 WeakPolarHBondContact CD2-OG1 3.33Å; M1280-T1284 WeakPolarHBondContact O-CB 3.42Å; M1280-T1284 PolarHBondContact O-N 2.8Å; M1280-T1284 PolarHBondContact O-OG1 3.19Å; T1281-T1284 WeakPolarHBondContact O-CA 3.45Å; T1281-T1284 VanDerWaalsContact O-CB 3.26Å; T1281-T1284 WeakPolarHBondContact O-CB 3.24Å; T1281-T1284 PolarHBondContact O-N 2.92Å; Y1282-T1284 PolarHBondContact O-N 3.35Å; T1284-Y1287 PolarHBondContact O-N 3.09Å; T1284-R1288 WeakPolarHBondContact O-CB 3.38Å; T1284-R1288 WeakPolarHBondContact O-CG 3.48Å; T1284-R1288 PolarHBondContact O-N 3.03Å |
| 1285 | S | 90.9 | Very high | 85.7 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 171.6 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | T1281 Y1282 Y1287 R1288 H1289 | T1281-S1285 PolarHBondContact O-N 3.4Å; T1281-S1285 PolarHBondContact O-OG 3.46Å; Y1282-S1285 WeakPolarHBondContact O-CB 3.49Å; Y1282-S1285 PolarHBondContact O-N 3.42Å; S1285-Y1287 VanDerWaalsContact C-N 3.32Å; S1285-Y1287 PolarHBondContact O-N 3Å; S1285-R1288 PolarHBondContact O-N 3Å; S1285-H1289 PolarHBondContact O-N 2.73Å |
| 1286 | V | 91.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | W1190 L1219 L1220 I1259 Y1282 I1283 Y1290 | W1190-V1286 HydrophobicContact CH2-CG1 4.37Å; L1219-V1286 HydrophobicContact CD2-CG1 4.02Å; L1219-V1286 HydrophobicContact CG-CG1 4.45Å; L1220-V1286 HydrophobicContact CD2-CG1 4.11Å; I1259-V1286 HydrophobicContact CD1-CG1 4.5Å; I1259-V1286 HydrophobicContact CD1-CG2 4.33Å; I1259-V1286 HydrophobicContact CG2-CG2 4.12Å; Y1282-V1286 HydrophobicContact CE1-CG2 4.31Å; Y1282-V1286 PolarHBondContact O-N 2.93Å; I1283-V1286 PolarHBondContact O-N 3.26Å; V1286-Y1290 HydrophobicContact CG1-CD2 3.87Å; V1286-Y1290 HydrophobicContact CG1-CE2 4.16Å; V1286-Y1290 WeakPolarHBondContact O-CD2 3.33Å; V1286-Y1290 PolarHBondContact O-N 2.92Å |
| 1287 | Y | 92.5 | Very high | 80.9 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 174.7 | 172.8 | -108.8 | 0 | 0 | 0 | 112.5 | P1170 L1171 L1174 L1187 W1190 I1283 T1284 S1285 H1289 E1291 V1292 | P1170-Y1287 HydrophobicContact CB-CE1 3.83Å; L1171-Y1287 HydrophobicContact CD2-CD1 3.88Å; L1171-Y1287 HydrophobicContact CD2-CE1 4.19Å; L1174-Y1287 HydrophobicContact CB-CE1 4.38Å; L1174-Y1287 HydrophobicContact CD1-CE2 4.01Å; L1174-Y1287 HydrophobicContact CD2-CD2 4.31Å; L1174-Y1287 HydrophobicContact CD2-CE1 4.15Å; L1174-Y1287 HydrophobicContact CD2-CE2 3.91Å; L1174-Y1287 HydrophobicContact CG-CE2 4.43Å; L1187-Y1287 HydrophobicContact CD1-CD1 4.33Å; L1187-Y1287 HydrophobicContact CD1-CD2 4.3Å; L1187-Y1287 HydrophobicContact CD1-CG 3.84Å; W1190-Y1287 AromaticContact CD2-CD2 3.91Å; W1190-Y1287 HydrophobicContact CD2-CD2 3.91Å; W1190-Y1287 AromaticContact CE2-CD2 3.53Å; W1190-Y1287 HydrophobicContact CE3-CD2 4.44Å; W1190-Y1287 HydrophobicContact CG-CD2 4.29Å; W1190-Y1287 HydrophobicContact CH2-CD2 4.27Å; W1190-Y1287 AromaticContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CD2 3.71Å; W1190-Y1287 HydrophobicContact CZ2-CG 4.43Å; W1190-Y1287 AromaticContact NE1-CD2 3.71Å; W1190-Y1287 AromaticContact NE1-CE2 3.96Å; I1283-Y1287 WeakPolarHBondContact O-CB 3.49Å; I1283-Y1287 PolarHBondContact O-N 2.87Å; T1284-Y1287 PolarHBondContact O-N 3.09Å; S1285-Y1287 VanDerWaalsContact C-N 3.32Å; S1285-Y1287 PolarHBondContact O-N 3Å; Y1287-H1289 VanDerWaalsContact C-N 3.34Å; Y1287-H1289 PolarHBondContact O-N 3.46Å; Y1287-E1291 HydrophobicContact CD2-CB 3.83Å; Y1287-E1291 HydrophobicContact CD2-CG 3.8Å; Y1287-E1291 HydrophobicContact CE2-CB 3.51Å; Y1287-E1291 HydrophobicContact CE2-CG 3.79Å; Y1287-E1291 WeakPolarHBondContact O-CB 3.34Å; Y1287-E1291 PolarHBondContact O-N 3.3Å; Y1287-V1292 HydrophobicContact CD1-CG2 4.45Å; Y1287-V1292 HydrophobicContact CE1-CG2 4.01Å |
| 1288 | R | 89.3 | Confident | 78 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 35% | 0.347 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 178.7 | -77.9 | 178.5 | 173.9 | -138.2 | -2.7 | 111.6 | D1169 P1170 T1284 S1285 V1292 E1293 | D1169-R1288 IonicContact OD1-NH2 3.9Å; D1169-R1288 PolarHBondContact OD1-NH2 2.97Å; P1170-R1288 HydrophobicContact CG-CG 4.43Å; T1284-R1288 WeakPolarHBondContact O-CB 3.38Å; T1284-R1288 WeakPolarHBondContact O-CG 3.48Å; T1284-R1288 PolarHBondContact O-N 3.03Å; S1285-R1288 PolarHBondContact O-N 3Å; R1288-V1292 HydrophobicContact CG-CG2 4.49Å; R1288-V1292 WeakPolarHBondContact O-CA 3.45Å; R1288-V1292 WeakPolarHBondContact O-CB 3.49Å; R1288-V1292 PolarHBondContact O-N 3.19Å; R1288-V1292 VanDerWaalsContact O-N 3.09Å; R1288-E1293 PolarHBondContact O-N 3.29Å |
| 1289 | H | 88.2 | Confident | 75.3 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -57.6 | 179.3 | -169.4 | 65.1 | 0 | 0 | 0 | 112.7 | E1257 I1259 S1285 Y1287 E1293 A1294 | E1257-H1289 PolarHBondContact O-CE1 3.31Å; E1257-H1289 PolarHBondContact O-NE2 3.2Å; I1259-H1289 HydrophobicContact CD1-CB 4.08Å; I1259-H1289 HydrophobicContact CG1-CB 3.85Å; S1285-H1289 PolarHBondContact O-N 2.73Å; Y1287-H1289 VanDerWaalsContact C-N 3.34Å; Y1287-H1289 PolarHBondContact O-N 3.46Å; H1289-E1293 WeakPolarHBondContact CA-OE2 3.27Å; H1289-E1293 IonicContact CE1-OE2 2.63Å; H1289-E1293 IonicContact CG-OE2 3.84Å; H1289-E1293 IonicContact ND1-OE2 2.62Å; H1289-E1293 PolarHBondContact ND1-OE2 3.49Å; H1289-A1294 PolarHBondContact O-N 3.02Å |
| 1290 | Y | 87.9 | Confident | 72.4 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -80.2 | -19.7 | -171.5 | -73.2 | -68.7 | 0 | 0 | 0 | 115.7 | L1220 Y1223 E1257 I1259 V1286 A1294 | L1220-Y1290 HydrophobicContact CD2-CE2 3.84Å; Y1223-Y1290 VanDerWaalsContact CB-CE1 3.44Å; Y1223-Y1290 AromaticContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CD1 3.72Å; Y1223-Y1290 HydrophobicContact CD1-CE1 4.4Å; Y1223-Y1290 AromaticContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD1-CG 3.87Å; Y1223-Y1290 HydrophobicContact CD2-CD1 4.04Å; Y1223-Y1290 AromaticContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CD2 3.71Å; Y1223-Y1290 HydrophobicContact CD2-CE1 4.31Å; Y1223-Y1290 HydrophobicContact CD2-CE2 4.01Å; Y1223-Y1290 AromaticContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CD2-CG 3.72Å; Y1223-Y1290 HydrophobicContact CE1-CD1 4.4Å; Y1223-Y1290 HydrophobicContact CE1-CG 4.13Å; Y1223-Y1290 AromaticContact CE2-CD2 4Å; Y1223-Y1290 HydrophobicContact CE2-CD2 4Å; Y1223-Y1290 AromaticContact CE2-CG 3.99Å; Y1223-Y1290 HydrophobicContact CE2-CG 3.99Å; Y1223-Y1290 AromaticContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD1 3.52Å; Y1223-Y1290 HydrophobicContact CG-CD2 4.09Å; Y1223-Y1290 AromaticContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE1 3.82Å; Y1223-Y1290 HydrophobicContact CG-CE2 4.35Å; Y1223-Y1290 AromaticContact CG-CG 3.66Å; Y1223-Y1290 HydrophobicContact CG-CG 3.66Å; E1257-Y1290 WeakPolarHBondContact CG-OH 3.35Å; I1259-Y1290 HydrophobicContact CD1-CD2 4.12Å; I1259-Y1290 HydrophobicContact CD1-CE2 3.51Å; V1286-Y1290 HydrophobicContact CG1-CD2 3.87Å; V1286-Y1290 HydrophobicContact CG1-CE2 4.16Å; V1286-Y1290 WeakPolarHBondContact O-CD2 3.33Å; V1286-Y1290 PolarHBondContact O-N 2.92Å; Y1290-A1294 WeakPolarHBondContact O-CB 3.45Å |
| 1291 | E | 85.3 | Confident | 69.6 | Low | 47 Ų | 47 | 69.7 Ų | 69.7 | 22% | 0.22 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -123.8 | -5.4 | -172.4 | -55.9 | -94.3 | -137.2 | 0 | 0 | 113.6 | W1190 R1194 Y1223 Y1287 L1295 | W1190-E1291 HydrophobicContact CZ2-CG 3.97Å; W1190-E1291 PolarHBondContact NE1-OE1 3.5Å; R1194-E1291 IonicContact CZ-OE1 2.65Å; R1194-E1291 VanDerWaalsContact CZ-OE1 3.24Å; R1194-E1291 IonicContact NE-OE1 2.77Å; R1194-E1291 PolarHBondContact NE-OE1 3.4Å; R1194-E1291 IonicContact NH2-OE1 3.82Å; R1194-E1291 PolarHBondContact NH2-OE1 3.28Å; R1194-E1291 IonicContact NH2-OE2 2.77Å; R1194-E1291 PolarHBondContact NH2-OE2 2.87Å; Y1223-E1291 PolarHBondContact OH-OE1 3.25Å; Y1287-E1291 HydrophobicContact CD2-CB 3.83Å; Y1287-E1291 HydrophobicContact CD2-CG 3.8Å; Y1287-E1291 HydrophobicContact CE2-CB 3.51Å; Y1287-E1291 HydrophobicContact CE2-CG 3.79Å; Y1287-E1291 WeakPolarHBondContact O-CB 3.34Å; Y1287-E1291 PolarHBondContact O-N 3.3Å; E1291-L1295 WeakPolarHBondContact O-CD1 3.35Å |
| 1292 | V | 76.5 | Confident | 66.9 | Low | 40 Ų | 40 | 70.1 Ų | 70.1 | 24% | 0.242 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -52 | -177.2 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | P1170 Y1287 R1288 A1294 L1295 | P1170-V1292 HydrophobicContact CB-CB 4.4Å; P1170-V1292 HydrophobicContact CB-CG1 4.07Å; P1170-V1292 HydrophobicContact CB-CG2 3.45Å; P1170-V1292 VanDerWaalsContact CB-CG2 3.45Å; P1170-V1292 HydrophobicContact CG-CB 4.34Å; P1170-V1292 HydrophobicContact CG-CG1 3.67Å; P1170-V1292 HydrophobicContact CG-CG2 3.87Å; Y1287-V1292 HydrophobicContact CD1-CG2 4.45Å; Y1287-V1292 HydrophobicContact CE1-CG2 4.01Å; R1288-V1292 HydrophobicContact CG-CG2 4.49Å; R1288-V1292 WeakPolarHBondContact O-CA 3.45Å; R1288-V1292 WeakPolarHBondContact O-CB 3.49Å; R1288-V1292 PolarHBondContact O-N 3.19Å; R1288-V1292 VanDerWaalsContact O-N 3.09Å; V1292-A1294 VanDerWaalsContact C-N 3.26Å; V1292-A1294 PolarHBondContact O-N 3.36Å; V1292-L1295 WeakPolarHBondContact O-CB 3.37Å; V1292-L1295 PolarHBondContact O-N 3.46Å |
| 1293 | E | 65 | Low | 64.1 | Low | 111 Ų | 111 | 75.8 Ų | 75.8 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -64.5 | -35.7 | 173.2 | -70 | 159.8 | -155.7 | 0 | 0 | 110.4 | R1288 H1289 L1295 N1296 | R1288-E1293 PolarHBondContact O-N 3.29Å; H1289-E1293 WeakPolarHBondContact CA-OE2 3.27Å; H1289-E1293 IonicContact CE1-OE2 2.63Å; H1289-E1293 IonicContact CG-OE2 3.84Å; H1289-E1293 IonicContact ND1-OE2 2.62Å; H1289-E1293 PolarHBondContact ND1-OE2 3.49Å; E1293-L1295 PolarHBondContact O-N 3.14Å; E1293-L1295 VanDerWaalsContact O-N 3.08Å; E1293-N1296 PolarHBondContact O-N 3.27Å |
| 1294 | A | 57.7 | Low | 61.5 | Low | 67 Ų | 67 | 83.1 Ų | 83.1 | 55% | 0.554 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -59.4 | -14 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | H1289 Y1290 V1292 | H1289-A1294 PolarHBondContact O-N 3.02Å; Y1290-A1294 WeakPolarHBondContact O-CB 3.45Å; V1292-A1294 VanDerWaalsContact C-N 3.26Å; V1292-A1294 PolarHBondContact O-N 3.36Å |
| 1295 | L | 49.4 | Very low | 58.8 | Low | 133 Ų | 133 | 93.4 Ų | 93.4 | 70% | 0.696 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -93.5 | -10.1 | 174.9 | -65.2 | 174.9 | 0 | 0 | 0 | 113.5 | E1291 V1292 E1293 P1297 | E1291-L1295 WeakPolarHBondContact O-CD1 3.35Å; V1292-L1295 WeakPolarHBondContact O-CB 3.37Å; V1292-L1295 PolarHBondContact O-N 3.46Å; E1293-L1295 PolarHBondContact O-N 3.14Å; E1293-L1295 VanDerWaalsContact O-N 3.08Å; L1295-P1297 VanDerWaalsContact C-CD 3.48Å; L1295-P1297 WeakPolarHBondContact O-CD 3.42Å |
| 1296 | N | 41.3 | Very low | 57.1 | Low | 114 Ų | 114 | 96.5 Ų | 96.5 | 61% | 0.61 | 57% | 0.567 | S | S | * | * | trans | -118.8 | 74.7 | 176.6 | -79.9 | -23.6 | 0 | 0 | 0 | 111.2 | E1293 S1298 | E1293-N1296 PolarHBondContact O-N 3.27Å; N1296-S1298 PolarHBondContact O-N 3.29Å | ||
| 1297 | P | 38.8 | Very low | 55.3 | Low | 129 Ų | 129 | 101.4 Ų | 101.4 | 84% | 0.838 | 60% | 0.596 | S | S | * | * | trans | -76.1 | 39.3 | -176.2 | 34.5 | -39 | 0 | 0 | 0 | 113.7 | L1295 | L1295-P1297 VanDerWaalsContact C-CD 3.48Å; L1295-P1297 WeakPolarHBondContact O-CD 3.42Å | ||
| 1298 | S | 33 | Very low | 53.3 | Low | 96 Ų | 96 | 106 Ų | 106 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -138.7 | 25.3 | -163.9 | 65.4 | 0 | 0 | 0 | 0 | 116 | N1296 | N1296-S1298 PolarHBondContact O-N 3.29Š|
| 1299 | T | 33.6 | Very low | 51.1 | Low | 126 Ų | 126 | 106.8 Ų | 106.8 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -146.2 | 7.8 | 176.7 | 8.2 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1300 | T | 32.9 | Very low | 48.8 | Very low | 138 Ų | 138 | 110.4 Ų | 110.4 | 85% | 0.847 | 67% | 0.667 | S | S | * | * | trans | -132.2 | 57.9 | -174.4 | -37.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1301 | T | 34.4 | Very low | 46.2 | Very low | 150 Ų | 150 | 115.7 Ų | 115.7 | 92% | 0.92 | 70% | 0.704 | S | S | * | * | trans | -139.9 | 96.8 | 158.2 | 45.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1302 | G | 36.1 | Very low | 43.4 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -161.4 | 77.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1303 | S | 35.7 | Very low | 40.9 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 69.1 | 107 | 169.7 | -156.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1304 | I | 40.2 | Very low | 38.9 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | -156.3 | 137 | 122.6 | -94 | 153.2 | 0 | 0 | 0 | 105.8 | |||||
| 1305 | D | 33.4 | Very low | 37.2 | Very low | 235 Ų | 235 | 133.7 Ų | 133.7 | 100% | 1.257 | 82% | 0.82 | S | S | * | * | trans | 58.2 | 0 | -177.4 | -62 | -7.4 | 0 | 0 | 0 | 118 |
Retrieved 1,305 of 1,305 residues in 497.6 ms
(Link to these results)