| 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 | 45.2 | Very low | 49.2 | Very low | 246 Ų | 246 | 168.9 Ų | 168.9 | 100% | 1.212 | 87% | 0.866 | S | S | * | * | 0 | 112.9 | 0 | -79 | -68.1 | 158.1 | 0 | 0 | 108.3 | |||||
| 2 | A | 49.4 | Very low | 48.6 | Very low | 90 Ų | 90 | 163.5 Ų | 163.5 | 74% | 0.744 | 87% | 0.866 | S | S | * | * | trans | -119.4 | 135.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | P | 63.6 | Low | 47.6 | Very low | 133 Ų | 133 | 157.4 Ų | 157.4 | 86% | 0.864 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 127.7 | -178.7 | 29.3 | -31.4 | 0 | 0 | 0 | 112 | ||
| 4 | V | 57.9 | Low | 46.7 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 84% | 0.836 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 136.8 | 173.6 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 5 | R | 53.9 | Low | 46.2 | Very low | 231 Ų | 231 | 156.4 Ų | 156.4 | 87% | 0.872 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 136.5 | 174.7 | -64.8 | -178.9 | 176.3 | -142.3 | -1.2 | 110.5 | ||
| 6 | P | 55.1 | Low | 45.6 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 84% | 0.844 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 134 | 172.8 | 29.6 | -30.3 | 0 | 0 | 0 | 111.4 | ||
| 7 | S | 45.1 | Very low | 45.1 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 135.5 | 171.9 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | K9 | S7-K9 PolarHBondContact O-N 3.23Š|
| 8 | S | 47.2 | Very low | 44.8 | Very low | 104 Ų | 104 | 153.4 Ų | 153.4 | 73% | 0.727 | 86% | 0.862 | S | S | * | * | trans | -78.2 | 108 | 172.5 | 41.5 | 0 | 0 | 0 | 0 | 110 | W10 | S8-W10 PolarHBondContact O-N 2.83Š| ||
| 9 | K | 42.8 | Very low | 44.2 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 86% | 0.857 | 87% | 0.865 | S | S | * | * | trans | -66.5 | 112.7 | 168.1 | -72.8 | 174.7 | 176.3 | 176.5 | 0 | 109.3 | S7 | S7-K9 PolarHBondContact O-N 3.23Š| ||
| 10 | W | 39.8 | Very low | 44.2 | Very low | 237 Ų | 237 | 156.4 Ų | 156.4 | 90% | 0.898 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 118.7 | 160.7 | -74.9 | 84.4 | 0 | 0 | 0 | 108.3 | S8 A12 | S8-W10 PolarHBondContact O-N 2.83Å; W10-A12 PolarHBondContact O-N 2.81Å |
| 11 | R | 41.4 | Very low | 43.8 | Very low | 244 Ų | 244 | 152.2 Ų | 152.2 | 92% | 0.921 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 116.3 | 171.2 | -95.6 | -159.8 | -85.1 | -108 | 3.5 | 109.1 | ||
| 12 | A | 42.3 | Very low | 43.6 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -84 | 132.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | W10 | W10-A12 PolarHBondContact O-N 2.81Š|
| 13 | G | 35.5 | Very low | 43.1 | Very low | 84 Ų | 84 | 148.6 Ų | 148.6 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | trans | 177.3 | 109.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 14 | G | 34.6 | Very low | 41.9 | Very low | 79 Ų | 79 | 151.1 Ų | 151.1 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | 159.7 | 52.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 15 | F | 38.5 | Very low | 41.4 | Very low | 221 Ų | 221 | 151.4 Ų | 151.4 | 97% | 0.969 | 84% | 0.842 | S | S | * | * | trans | -103.6 | 113.7 | 158.9 | -80.3 | -78.8 | 0 | 0 | 0 | 108.1 | ||||
| 16 | A | 37.4 | Very low | 40.5 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -168.3 | 144 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 17 | A | 37.3 | Very low | 39.9 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | cis | -154.3 | 160.9 | -12.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 18 | R | 40.2 | Very low | 39.7 | Very low | 212 Ų | 212 | 145.8 Ų | 145.8 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -72.6 | 128.9 | 176.4 | 172.2 | -174.2 | -178.9 | -153.5 | -2.4 | 110.6 | E20 | R18-E20 IonicContact NH2-OE1 2.8Š| ||
| 19 | E | 33.3 | Very low | 39.7 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -149 | 142.2 | 146.7 | -76.7 | -147.1 | 160.9 | 0 | 0 | 111.2 | ||||
| 20 | E | 43 | Very low | 40.1 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -81.9 | 141.9 | -175.3 | -78.3 | 167.6 | -177.2 | 0 | 0 | 112.2 | R18 | R18-E20 IonicContact NH2-OE1 2.8Š| ||
| 21 | G | 36 | Very low | 40.8 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | 172 | 95.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 22 | T | 41.1 | Very low | 41.5 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | 27.4 | 136.4 | 158.8 | 43.6 | 0 | 0 | 0 | 0 | 122 | Q24 | T22-Q24 PolarHBondContact O-N 2.83Š| ||
| 23 | P | 38.7 | Very low | 42.4 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 104.3 | -175.5 | 34.4 | -30.8 | 0 | 0 | 0 | 111.3 | ||||
| 24 | Q | 38.6 | Very low | 43.7 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -83 | 124.4 | 160 | -85.1 | -167 | 25.1 | 0 | 0 | 109.8 | T22 A26 | T22-Q24 PolarHBondContact O-N 2.83Å; Q24-A26 VanDerWaalsContact C-N 3.26Å; Q24-A26 PolarHBondContact O-N 2.78Å | ||
| 25 | V | 47.4 | Very low | 45.1 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -58.4 | 88.3 | 167.5 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 26 | A | 35.2 | Very low | 46.4 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -99 | 94.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q24 K28 | Q24-A26 VanDerWaalsContact C-N 3.26Å; Q24-A26 PolarHBondContact O-N 2.78Å; A26-K28 VanDerWaalsContact C-N 3.27Å; A26-K28 PolarHBondContact O-N 3.25Å | ||
| 27 | S | 42.6 | Very low | 47.4 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -56 | 93.6 | 162.5 | 37.7 | 0 | 0 | 0 | 0 | 108.4 | N29 | S27-N29 PolarHBondContact O-N 2.92Š| ||
| 28 | K | 40.7 | Very low | 48.5 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -66.7 | 89.2 | 169.7 | -85.2 | 177 | 176.5 | 169.8 | 0 | 107.5 | A26 H30 | A26-K28 VanDerWaalsContact C-N 3.27Å; A26-K28 PolarHBondContact O-N 3.25Å; K28-H30 PolarHBondContact O-CE1 2.7Å; K28-H30 VanDerWaalsContact O-CE1 3.25Å; K28-H30 PolarHBondContact O-N 2.8Å; K28-H30 PolarHBondContact O-ND1 2.68Å | ||
| 29 | N | 48.4 | Very low | 49.4 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -51 | 109 | 160.3 | -69.8 | -35.3 | 0 | 0 | 0 | 106.9 | S27 S31 | S27-N29 PolarHBondContact O-N 2.92Å; N29-S31 PolarHBondContact O-N 2.94Å | ||
| 30 | H | 51 | Low | 50.6 | Low | 173 Ų | 173 | 145.8 Ų | 145.8 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | -70 | 81.6 | 165.9 | -52.3 | -14.8 | 0 | 0 | 0 | 104.8 | K28 G32 | K28-H30 PolarHBondContact O-CE1 2.7Å; K28-H30 VanDerWaalsContact O-CE1 3.25Å; K28-H30 PolarHBondContact O-N 2.8Å; K28-H30 PolarHBondContact O-ND1 2.68Å; H30-G32 PolarHBondContact O-N 2.7Å | ||
| 31 | S | 52.9 | Low | 51.6 | Low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -59.5 | 89.8 | 161.5 | 60 | 0 | 0 | 0 | 0 | 104.5 | N29 K33 | N29-S31 PolarHBondContact O-N 2.94Å; S31-K33 VanDerWaalsContact C-N 3.32Å; S31-K33 PolarHBondContact O-N 2.96Å | ||
| 32 | G | 55.8 | Low | 52.6 | Low | 61 Ų | 61 | 149.9 Ų | 149.9 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -52.7 | 106.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 104.7 | H30 R34 | H30-G32 PolarHBondContact O-N 2.7Å; G32-R34 PolarHBondContact O-N 3.03Å | ||
| 33 | K | 62.4 | Low | 53.4 | Low | 202 Ų | 202 | 152.1 Ų | 152.1 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -56.1 | 98.2 | 172.6 | -69 | 179.8 | -179.4 | -179.6 | 0 | 103.8 | S31 R35 | S31-K33 VanDerWaalsContact C-N 3.32Å; S31-K33 PolarHBondContact O-N 2.96Å; K33-R35 PolarHBondContact O-N 3.42Å | ||
| 34 | R | 63.5 | Low | 54.2 | Low | 233 Ų | 233 | 150.7 Ų | 150.7 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -52.8 | 118.6 | 174.4 | -76.8 | -176.2 | 170 | -123.7 | 0 | 103.6 | G32 T36 | G32-R34 PolarHBondContact O-N 3.03Å; R34-T36 VanDerWaalsContact C-N 3.25Å; R34-T36 PolarHBondContact O-N 2.86Å | ||
| 35 | R | 64 | Low | 54.9 | Low | 223 Ų | 223 | 148.9 Ų | 148.9 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | trans | -55 | 99.4 | 177.4 | -171.7 | -178.2 | -160.6 | -160.1 | 5 | 105.5 | K33 W37 | K33-R35 PolarHBondContact O-N 3.42Å; R35-W37 PolarHBondContact O-N 3.49Å | ||
| 36 | T | 64.6 | Low | 55.2 | Low | 112 Ų | 112 | 145.7 Ų | 145.7 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | -55.3 | 113.2 | 170.6 | 31.6 | 0 | 0 | 0 | 0 | 104.8 | R34 R38 | R34-T36 VanDerWaalsContact C-N 3.25Å; R34-T36 PolarHBondContact O-N 2.86Å; T36-R38 PolarHBondContact O-N 3.18Å | ||
| 37 | W | 58 | Low | 56.4 | Low | 237 Ų | 237 | 143 Ų | 143 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | -58.9 | 91 | 167 | -87.9 | 97.2 | 0 | 0 | 0 | 105.8 | R35 P39 | R35-W37 PolarHBondContact O-N 3.49Å; W37-P39 VanDerWaalsContact O-CD 3.26Å; W37-P39 WeakPolarHBondContact O-CD 3.37Å | ||
| 38 | R | 60.4 | Low | 57.4 | Low | 203 Ų | 203 | 141.8 Ų | 141.8 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -62.1 | 119.3 | 162.6 | -67.9 | -169 | 180 | -108.1 | 1.3 | 103.9 | T36 S40 | T36-R38 PolarHBondContact O-N 3.18Å; R38-S40 PolarHBondContact O-N 3Å | ||
| 39 | P | 59.1 | Low | 58.1 | Low | 86 Ų | 86 | 140.5 Ų | 140.5 | 56% | 0.558 | 72% | 0.719 | S | S | * | * | trans | -54.8 | 123.9 | 165.2 | -13.2 | 26.7 | 0 | 0 | 0 | 105.1 | W37 H41 | W37-P39 VanDerWaalsContact O-CD 3.26Å; W37-P39 WeakPolarHBondContact O-CD 3.37Å; P39-H41 PolarHBondContact O-CD2 3.38Å; P39-H41 PolarHBondContact O-CE1 2.95Å; P39-H41 VanDerWaalsContact O-CG 3.25Å; P39-H41 PolarHBondContact O-N 3.2Å; P39-H41 PolarHBondContact O-ND1 2.74Å; P39-H41 PolarHBondContact O-NE2 2.73Å | ||
| 40 | S | 59.1 | Low | 58.7 | Low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | -66.7 | 85.4 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 106.8 | R38 Q42 | R38-S40 PolarHBondContact O-N 3Å; S40-Q42 PolarHBondContact O-N 3.28Å | ||
| 41 | H | 63.4 | Low | 59.1 | Low | 145 Ų | 145 | 145 Ų | 145 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 119 | 177.5 | -32 | -72.4 | 0 | 0 | 0 | 106.7 | P39 | P39-H41 PolarHBondContact O-CD2 3.38Å; P39-H41 PolarHBondContact O-CE1 2.95Å; P39-H41 VanDerWaalsContact O-CG 3.25Å; P39-H41 PolarHBondContact O-N 3.2Å; P39-H41 PolarHBondContact O-ND1 2.74Å; P39-H41 PolarHBondContact O-NE2 2.73Å |
| 42 | Q | 58.1 | Low | 59.3 | Low | 181 Ų | 181 | 142.5 Ų | 142.5 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.8 | 13.3 | 155.9 | -50.1 | -171.8 | 1.5 | 0 | 0 | 121 | S40 | S40-Q42 PolarHBondContact O-N 3.28Š|
| 43 | Q | 56.8 | Low | 59.5 | Low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | trans | -142 | 43.3 | 163.5 | -70.2 | -167.3 | 9.5 | 0 | 0 | 114.1 | ||||
| 44 | A | 56 | Low | 60 | Low | 98 Ų | 98 | 137.6 Ų | 137.6 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -76 | -11.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 45 | F | 53.8 | Low | 60.7 | Low | 148 Ų | 148 | 132.3 Ų | 132.3 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -140.7 | 127.7 | 174.2 | -123.8 | -102 | 0 | 0 | 0 | 109.3 | G47 | F45-G47 PolarHBondContact O-N 3.37Š|
| 46 | P | 53.7 | Low | 61.5 | Low | 78 Ų | 78 | 124.8 Ų | 124.8 | 51% | 0.506 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -73 | 80.3 | 165.2 | 29.7 | -30.9 | 0 | 0 | 0 | 107.6 | G54 | P46-G54 CarbonylContact O-C 3.53Å; P46-G54 WeakPolarHBondContact O-CA 3.45Å |
| 47 | G | 59.8 | Low | 62.3 | Low | 24 Ų | 24 | 125 Ų | 125 | 25% | 0.247 | 64% | 0.644 | C | S | . | * | S | Bend | trans | 162.1 | 129.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | F45 | F45-G47 PolarHBondContact O-N 3.37Š|
| 48 | S | 63.6 | Low | 63.4 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 63% | 0.628 | S | S | . | * | trans | -64.7 | 139.7 | 163.8 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | R50 | S48-R50 PolarHBondContact O-N 3.23Å; S48-R50 PolarHBondContact OG-N 3.04Å | ||
| 49 | V | 56.2 | Low | 64.6 | Low | 151 Ų | 151 | 118.5 Ų | 118.5 | 92% | 0.915 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -64.3 | -16.6 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | E51 | V49-E51 PolarHBondContact O-N 3.5Š|
| 50 | R | 60.8 | Low | 66 | Low | 209 Ų | 209 | 120.6 Ų | 120.6 | 79% | 0.789 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -74.7 | 111.1 | 168.6 | -70.4 | -175.4 | 176 | -158.9 | -1.7 | 109.1 | S48 G52 | S48-R50 PolarHBondContact O-N 3.23Å; S48-R50 PolarHBondContact OG-N 3.04Å; R50-G52 PolarHBondContact O-N 3.02Å |
| 51 | E | 58.2 | Low | 67.5 | Low | 199 Ų | 199 | 118.5 Ų | 118.5 | 93% | 0.93 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -16.8 | 114.8 | 175.8 | -62.1 | 173.8 | 174 | 0 | 0 | 114.6 | V49 | V49-E51 PolarHBondContact O-N 3.5Š|
| 52 | G | 58.8 | Low | 69 | Low | 47 Ų | 47 | 118.1 Ų | 118.1 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 112 | -8.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | R50 | R50-G52 PolarHBondContact O-N 3.02Š|
| 53 | Q | 58.9 | Low | 70.6 | Confident | 151 Ų | 151 | 114.3 Ų | 114.3 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -109.6 | 17 | -174.9 | -75.3 | 176.9 | -20 | 0 | 0 | 115.6 | ||
| 54 | G | 74.2 | Confident | 72.5 | Confident | 9 Ų | 9 | 110.4 Ų | 110.4 | 9% | 0.093 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -128.6 | -124.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | P46 A56 F57 R58 | P46-G54 CarbonylContact O-C 3.53Å; P46-G54 WeakPolarHBondContact O-CA 3.45Å; G54-A56 VanDerWaalsContact C-N 3.27Å; G54-A56 PolarHBondContact O-N 2.93Å; G54-F57 PolarHBondContact O-N 3.18Å; G54-F57 VanDerWaalsContact O-N 3.13Å; G54-R58 PolarHBondContact O-N 3.17Å |
| 55 | F | 77.3 | Confident | 74.4 | Confident | 123 Ų | 123 | 110.6 Ų | 110.6 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -54.9 | -40.5 | -179.5 | -178.2 | -101 | 0 | 0 | 0 | 113.1 | R58 R59 | F55-R58 PolarHBondContact O-N 3.06Å; F55-R59 VanDerWaalsContact O-CB 3.28Å; F55-R59 WeakPolarHBondContact O-CB 3.44Å; F55-R59 PolarHBondContact O-N 3.38Å |
| 56 | A | 80.5 | Confident | 76.4 | Confident | 65 Ų | 65 | 107 Ų | 107 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G54 R59 K60 | G54-A56 VanDerWaalsContact C-N 3.27Å; G54-A56 PolarHBondContact O-N 2.93Å; A56-R59 PolarHBondContact O-N 3.43Å; A56-K60 WeakPolarHBondContact O-CB 3.34Å; A56-K60 PolarHBondContact O-N 2.96Å |
| 57 | F | 81 | Confident | 78.4 | Confident | 115 Ų | 115 | 110 Ų | 110 | 50% | 0.504 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 175.9 | -176.2 | -102.8 | 0 | 0 | 0 | 111.6 | G54 R59 K60 L61 | G54-F57 PolarHBondContact O-N 3.18Å; G54-F57 VanDerWaalsContact O-N 3.13Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.31Å; F57-K60 WeakPolarHBondContact O-CB 3.5Å; F57-K60 PolarHBondContact O-N 3.16Å; F57-L61 HydrophobicContact CD1-CD1 4.4Å; F57-L61 HydrophobicContact CE1-CD1 3.66Å; F57-L61 HydrophobicContact CZ-CD1 3.91Å; F57-L61 WeakPolarHBondContact O-CB 3.5Å; F57-L61 PolarHBondContact O-N 2.94Å |
| 58 | R | 82.4 | Confident | 80.1 | Confident | 149 Ų | 149 | 115.3 Ų | 115.3 | 56% | 0.562 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61 | -41.6 | 175.1 | -68.6 | 177 | 69.7 | -158 | 4.4 | 111.9 | G54 F55 L61 K62 | G54-R58 PolarHBondContact O-N 3.17Å; F55-R58 PolarHBondContact O-N 3.06Å; R58-L61 PolarHBondContact O-N 3.26Å; R58-K62 VanDerWaalsContact O-CB 3.27Å; R58-K62 WeakPolarHBondContact O-CB 3.4Å; R58-K62 PolarHBondContact O-N 2.92Å |
| 59 | R | 85.8 | Confident | 81.7 | Confident | 155 Ų | 155 | 118.1 Ų | 118.1 | 59% | 0.585 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.6 | -44.9 | 176.1 | -172 | 174.1 | -178.7 | 157.1 | -0.5 | 111 | F55 A56 F57 L61 K62 I63 | F55-R59 VanDerWaalsContact O-CB 3.28Å; F55-R59 WeakPolarHBondContact O-CB 3.44Å; F55-R59 PolarHBondContact O-N 3.38Å; A56-R59 PolarHBondContact O-N 3.43Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.31Å; R59-L61 PolarHBondContact O-N 2.87Å; R59-K62 PolarHBondContact O-N 2.89Å; R59-I63 HydrophobicContact CG-CD1 3.98Å; R59-I63 WeakPolarHBondContact O-CB 3.28Å; R59-I63 VanDerWaalsContact O-CG1 3.22Å; R59-I63 WeakPolarHBondContact O-CG1 3.49Å; R59-I63 PolarHBondContact O-N 3.37Å |
| 60 | K | 88.1 | Confident | 83.5 | Confident | 131 Ų | 131 | 116 Ų | 116 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.8 | -48 | 173.7 | -174.8 | 177.9 | -177.9 | 177.1 | 0 | 111.3 | A56 F57 I63 Q64 | A56-K60 WeakPolarHBondContact O-CB 3.34Å; A56-K60 PolarHBondContact O-N 2.96Å; F57-K60 WeakPolarHBondContact O-CB 3.5Å; F57-K60 PolarHBondContact O-N 3.16Å; K60-I63 PolarHBondContact O-N 3.45Å; K60-Q64 WeakPolarHBondContact O-CG 3.4Å; K60-Q64 PolarHBondContact O-N 3.16Å |
| 61 | L | 90.3 | Very high | 85.1 | Confident | 64 Ų | 64 | 109.3 Ų | 109.3 | 34% | 0.335 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | -180 | -147.7 | 155.7 | 0 | 0 | 0 | 111.5 | F57 R58 R59 Q64 Q65 | F57-L61 HydrophobicContact CD1-CD1 4.4Å; F57-L61 HydrophobicContact CE1-CD1 3.66Å; F57-L61 HydrophobicContact CZ-CD1 3.91Å; F57-L61 WeakPolarHBondContact O-CB 3.5Å; F57-L61 PolarHBondContact O-N 2.94Å; R58-L61 PolarHBondContact O-N 3.26Å; R59-L61 PolarHBondContact O-N 2.87Å; L61-Q64 PolarHBondContact O-N 3.44Å; L61-Q65 HydrophobicContact CD2-CG 4.12Å; L61-Q65 WeakPolarHBondContact O-CG 3.42Å; L61-Q65 PolarHBondContact O-N 3.19Å |
| 62 | K | 94.1 | Very high | 86.7 | Confident | 138 Ų | 138 | 109.5 Ų | 109.5 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 173.3 | -172.6 | 176.2 | -177.9 | -179.1 | 0 | 111.9 | R58 R59 Q65 N66 | R58-K62 VanDerWaalsContact O-CB 3.27Å; R58-K62 WeakPolarHBondContact O-CB 3.4Å; R58-K62 PolarHBondContact O-N 2.92Å; R59-K62 PolarHBondContact O-N 2.89Å; K62-Q65 PolarHBondContact O-N 3.38Å; K62-N66 WeakPolarHBondContact O-CB 3.46Å; K62-N66 VanDerWaalsContact O-CG 3.29Å; K62-N66 PolarHBondContact O-N 3.06Å; K62-N66 PolarHBondContact O-ND2 3.37Å |
| 63 | I | 93.3 | Very high | 88.2 | Confident | 100 Ų | 100 | 114.2 Ų | 114.2 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.5 | -69.6 | 165.1 | 0 | 0 | 0 | 110.2 | R59 K60 Q65 N66 Y67 | R59-I63 HydrophobicContact CG-CD1 3.98Å; R59-I63 WeakPolarHBondContact O-CB 3.28Å; R59-I63 VanDerWaalsContact O-CG1 3.22Å; R59-I63 WeakPolarHBondContact O-CG1 3.49Å; R59-I63 PolarHBondContact O-N 3.37Å; K60-I63 PolarHBondContact O-N 3.45Å; I63-Q65 PolarHBondContact O-N 3.17Å; I63-N66 PolarHBondContact O-N 3.32Å; I63-Y67 WeakPolarHBondContact O-CB 3.37Å; I63-Y67 PolarHBondContact O-N 3.41Å |
| 64 | Q | 95.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.5 | -74.6 | 178.2 | -11.1 | 0 | 0 | 112.6 | K60 L61 Y67 K68 | K60-Q64 WeakPolarHBondContact O-CG 3.4Å; K60-Q64 PolarHBondContact O-N 3.16Å; L61-Q64 PolarHBondContact O-N 3.44Å; Q64-Y67 PolarHBondContact O-N 3.41Å; Q64-K68 WeakPolarHBondContact O-CG 3.44Å; Q64-K68 PolarHBondContact O-N 3.34Å |
| 65 | Q | 95.9 | Very high | 90.1 | Very high | 101 Ų | 101 | 118.2 Ų | 118.2 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.3 | -74.4 | 178.1 | -0.2 | 0 | 0 | 111.9 | L61 K62 I63 K68 K69 | L61-Q65 HydrophobicContact CD2-CG 4.12Å; L61-Q65 WeakPolarHBondContact O-CG 3.42Å; L61-Q65 PolarHBondContact O-N 3.19Å; K62-Q65 PolarHBondContact O-N 3.38Å; I63-Q65 PolarHBondContact O-N 3.17Å; Q65-K68 PolarHBondContact O-N 3.3Å; Q65-K69 WeakPolarHBondContact O-CG 3.37Å; Q65-K69 PolarHBondContact O-N 3.19Å |
| 66 | N | 95.9 | Very high | 90.3 | Very high | 73 Ų | 73 | 120 Ų | 120 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.2 | -74.3 | -20.3 | 0 | 0 | 0 | 111.8 | K62 I63 K69 L70 | K62-N66 WeakPolarHBondContact O-CB 3.46Å; K62-N66 VanDerWaalsContact O-CG 3.29Å; K62-N66 PolarHBondContact O-N 3.06Å; K62-N66 PolarHBondContact O-ND2 3.37Å; I63-N66 PolarHBondContact O-N 3.32Å; N66-K69 WeakPolarHBondContact O-CB 3.26Å; N66-K69 PolarHBondContact O-N 3.13Å; N66-L70 WeakPolarHBondContact O-CG 3.4Å; N66-L70 PolarHBondContact O-N 2.78Å |
| 67 | Y | 96.7 | Very high | 90.1 | Very high | 142 Ų | 142 | 119.1 Ų | 119.1 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 174.7 | 175.7 | -109.7 | 0 | 0 | 0 | 112 | I63 Q64 K69 L70 L71 | I63-Y67 WeakPolarHBondContact O-CB 3.37Å; I63-Y67 PolarHBondContact O-N 3.41Å; Q64-Y67 PolarHBondContact O-N 3.41Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 3.47Å; Y67-L70 WeakPolarHBondContact O-CB 3.25Å; Y67-L70 PolarHBondContact O-N 3.4Å; Y67-L70 VanDerWaalsContact O-N 3.07Å; Y67-L71 HydrophobicContact CD1-CD1 4.07Å; Y67-L71 HydrophobicContact CE1-CD1 3.47Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.47Å; Y67-L71 HydrophobicContact CE1-CG 4.08Å; Y67-L71 HydrophobicContact CE2-CD1 4.46Å; Y67-L71 HydrophobicContact CE2-CD2 4.27Å; Y67-L71 HydrophobicContact CE2-CG 4.23Å; Y67-L71 PolarHBondContact O-N 3.31Å |
| 68 | K | 95.7 | Very high | 89.5 | Confident | 135 Ų | 135 | 116 Ų | 116 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.3 | -39.7 | 174.1 | -72.4 | 179.2 | 179.4 | -176.2 | 0 | 112 | Q64 Q65 L71 W72 | Q64-K68 WeakPolarHBondContact O-CG 3.44Å; Q64-K68 PolarHBondContact O-N 3.34Å; Q65-K68 PolarHBondContact O-N 3.3Å; K68-L71 PolarHBondContact O-N 3.4Å; K68-W72 PolarHBondContact O-N 2.94Å |
| 69 | K | 95.8 | Very high | 88.4 | Confident | 126 Ų | 126 | 113.5 Ų | 113.5 | 55% | 0.548 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.5 | -72.7 | 173.7 | -177.6 | 178.8 | 0 | 112.3 | Q65 N66 Y67 W72 K73 | Q65-K69 WeakPolarHBondContact O-CG 3.37Å; Q65-K69 PolarHBondContact O-N 3.19Å; N66-K69 WeakPolarHBondContact O-CB 3.26Å; N66-K69 PolarHBondContact O-N 3.13Å; Y67-K69 VanDerWaalsContact C-N 3.28Å; Y67-K69 PolarHBondContact O-N 3.47Å; K69-W72 PolarHBondContact O-N 3.23Å; K69-K73 WeakPolarHBondContact O-CG 3.42Å; K69-K73 PolarHBondContact O-N 3.38Å |
| 70 | L | 95.6 | Very high | 87.2 | Confident | 105 Ų | 105 | 110.6 Ų | 110.6 | 55% | 0.55 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 175 | -70.5 | 170.9 | 0 | 0 | 0 | 111 | N66 Y67 W72 K73 V74 | N66-L70 WeakPolarHBondContact O-CG 3.4Å; N66-L70 PolarHBondContact O-N 2.78Å; Y67-L70 WeakPolarHBondContact O-CB 3.25Å; Y67-L70 PolarHBondContact O-N 3.4Å; Y67-L70 VanDerWaalsContact O-N 3.07Å; L70-W72 VanDerWaalsContact C-N 3.28Å; L70-W72 PolarHBondContact O-N 3.21Å; L70-K73 WeakPolarHBondContact O-CB 3.38Å; L70-K73 PolarHBondContact O-N 3.39Å; L70-K73 VanDerWaalsContact O-N 3.08Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 2.84Å |
| 71 | L | 94 | Very high | 85.8 | Confident | 69 Ų | 69 | 112.3 Ų | 112.3 | 36% | 0.361 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 174.5 | -69 | -179.4 | 0 | 0 | 0 | 112.4 | Y67 K68 V74 K75 | Y67-L71 HydrophobicContact CD1-CD1 4.07Å; Y67-L71 HydrophobicContact CE1-CD1 3.47Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.47Å; Y67-L71 HydrophobicContact CE1-CG 4.08Å; Y67-L71 HydrophobicContact CE2-CD1 4.46Å; Y67-L71 HydrophobicContact CE2-CD2 4.27Å; Y67-L71 HydrophobicContact CE2-CG 4.23Å; Y67-L71 PolarHBondContact O-N 3.31Å; K68-L71 PolarHBondContact O-N 3.4Å; L71-V74 PolarHBondContact O-N 3.06Å; L71-K75 WeakPolarHBondContact O-CB 3.43Å; L71-K75 WeakPolarHBondContact O-CG 3.14Å; L71-K75 PolarHBondContact O-N 2.9Å |
| 72 | W | 90.9 | Very high | 84.4 | Confident | 203 Ų | 203 | 115.4 Ų | 115.4 | 77% | 0.769 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | 174.5 | -88.2 | 55.2 | 0 | 0 | 0 | 112.5 | K68 K69 L70 K76 | K68-W72 PolarHBondContact O-N 2.94Å; K69-W72 PolarHBondContact O-N 3.23Å; L70-W72 VanDerWaalsContact C-N 3.28Å; L70-W72 PolarHBondContact O-N 3.21Å; W72-K76 VanDerWaalsContact O-CB 3.27Å; W72-K76 WeakPolarHBondContact O-CB 3.33Å; W72-K76 PolarHBondContact O-N 3.4Å |
| 73 | K | 90.7 | Very high | 82.6 | Confident | 146 Ų | 146 | 111.6 Ų | 111.6 | 64% | 0.635 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 175.6 | -74.7 | 179.4 | 173.2 | -166.3 | 0 | 111.8 | K69 L70 K76 A77 | K69-K73 WeakPolarHBondContact O-CG 3.42Å; K69-K73 PolarHBondContact O-N 3.38Å; L70-K73 WeakPolarHBondContact O-CB 3.38Å; L70-K73 PolarHBondContact O-N 3.39Å; L70-K73 VanDerWaalsContact O-N 3.08Å; K73-K76 PolarHBondContact O-N 3.3Å; K73-A77 VanDerWaalsContact O-CB 3.29Å; K73-A77 WeakPolarHBondContact O-CB 3.1Å; K73-A77 PolarHBondContact O-N 2.74Å |
| 74 | V | 89 | Confident | 80.9 | Confident | 98 Ų | 98 | 117 Ų | 117 | 59% | 0.594 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.4 | -48.7 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | L70 L71 K76 A77 S78 | L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 2.84Å; L71-V74 PolarHBondContact O-N 3.06Å; V74-K76 VanDerWaalsContact C-N 3.32Å; V74-K76 PolarHBondContact O-N 3.44Å; V74-A77 PolarHBondContact O-N 3.22Å; V74-S78 PolarHBondContact O-N 2.85Å; V74-S78 PolarHBondContact O-OG 3.46Å |
| 75 | K | 84.9 | Confident | 78.8 | Confident | 147 Ų | 147 | 120.6 Ų | 120.6 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.5 | -38.3 | 176.6 | -73 | -177.6 | 176.1 | -166.3 | 0 | 113.1 | L71 S78 T79 | L71-K75 WeakPolarHBondContact O-CB 3.43Å; L71-K75 WeakPolarHBondContact O-CG 3.14Å; L71-K75 PolarHBondContact O-N 2.9Å; K75-S78 WeakPolarHBondContact CA-OG 3.33Å; K75-S78 PolarHBondContact O-OG 3.46Å; K75-T79 WeakPolarHBondContact O-CG2 3.42Å; K75-T79 PolarHBondContact O-N 2.94Å; K75-T79 PolarHBondContact O-OG1 3.45Å |
| 76 | K | 81 | Confident | 76.8 | Confident | 161 Ų | 161 | 118.8 Ų | 118.8 | 70% | 0.7 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.2 | -35.5 | 177.8 | -170.9 | 173.8 | -178.2 | -179.9 | 0 | 112.2 | W72 K73 V74 T79 S80 | W72-K76 VanDerWaalsContact O-CB 3.27Å; W72-K76 WeakPolarHBondContact O-CB 3.33Å; W72-K76 PolarHBondContact O-N 3.4Å; K73-K76 PolarHBondContact O-N 3.3Å; V74-K76 VanDerWaalsContact C-N 3.32Å; V74-K76 PolarHBondContact O-N 3.44Å; K76-T79 WeakPolarHBondContact CA-OG1 3.33Å; K76-T79 PolarHBondContact O-OG1 2.93Å; K76-S80 PolarHBondContact O-N 3.01Å |
| 77 | A | 76.8 | Confident | 75.5 | Confident | 45 Ų | 45 | 121 Ų | 121 | 37% | 0.372 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.5 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K73 V74 S80 Q81 | K73-A77 VanDerWaalsContact O-CB 3.29Å; K73-A77 WeakPolarHBondContact O-CB 3.1Å; K73-A77 PolarHBondContact O-N 2.74Å; V74-A77 PolarHBondContact O-N 3.22Å; A77-S80 WeakPolarHBondContact CA-OG 3.26Å; A77-S80 CarbonylContact O-C 3.54Å; A77-S80 WeakPolarHBondContact O-CA 3.37Å; A77-S80 PolarHBondContact O-N 3.09Å; A77-S80 PolarHBondContact O-OG 2.9Å; A77-Q81 PolarHBondContact O-N 2.62Å |
| 78 | S | 67.4 | Low | 74.1 | Confident | 50 Ų | 50 | 121.6 Ų | 121.6 | 35% | 0.35 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.7 | -44.7 | 174.4 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | V74 K75 S80 Q81 E82 | V74-S78 PolarHBondContact O-N 2.85Å; V74-S78 PolarHBondContact O-OG 3.46Å; K75-S78 WeakPolarHBondContact CA-OG 3.33Å; K75-S78 PolarHBondContact O-OG 3.46Å; S78-S80 PolarHBondContact O-N 2.85Å; S78-S80 VanDerWaalsContact O-N 3.08Å; S78-Q81 CarbonylContact O-C 3.59Å; S78-Q81 PolarHBondContact O-N 3.44Å; S78-E82 VanDerWaalsContact O-CB 3.27Å; S78-E82 WeakPolarHBondContact O-CB 3.3Å; S78-E82 PolarHBondContact O-N 3.39Å |
| 79 | T | 60.4 | Low | 72.9 | Confident | 97 Ų | 97 | 119.8 Ų | 119.8 | 60% | 0.595 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.4 | -18 | 173.2 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | K75 K76 | K75-T79 WeakPolarHBondContact O-CG2 3.42Å; K75-T79 PolarHBondContact O-N 2.94Å; K75-T79 PolarHBondContact O-OG1 3.45Å; K76-T79 WeakPolarHBondContact CA-OG1 3.33Å; K76-T79 PolarHBondContact O-OG1 2.93Å |
| 80 | S | 59.3 | Low | 72.4 | Confident | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -90.9 | -18.8 | 173.2 | 65.1 | 0 | 0 | 0 | 0 | 113.8 | K76 A77 S78 | K76-S80 PolarHBondContact O-N 3.01Å; A77-S80 WeakPolarHBondContact CA-OG 3.26Å; A77-S80 CarbonylContact O-C 3.54Å; A77-S80 WeakPolarHBondContact O-CA 3.37Å; A77-S80 PolarHBondContact O-N 3.09Å; A77-S80 PolarHBondContact O-OG 2.9Å; S78-S80 PolarHBondContact O-N 2.85Å; S78-S80 VanDerWaalsContact O-N 3.08Å |
| 81 | Q | 60 | Low | 71.4 | Confident | 167 Ų | 167 | 118.4 Ų | 118.4 | 78% | 0.78 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -101 | -20.2 | 176.3 | -77.7 | -170.3 | -32.4 | 0 | 0 | 113.3 | A77 S78 S83 | A77-Q81 PolarHBondContact O-N 2.62Å; S78-Q81 CarbonylContact O-C 3.59Å; S78-Q81 PolarHBondContact O-N 3.44Å; Q81-S83 PolarHBondContact O-N 3.26Å |
| 82 | E | 59.9 | Low | 71 | Confident | 129 Ų | 129 | 121.5 Ų | 121.5 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -63.4 | 96.4 | 167.8 | -156.7 | 142.2 | -154.2 | 0 | 0 | 105.4 | S78 T86 | S78-E82 VanDerWaalsContact O-CB 3.27Å; S78-E82 WeakPolarHBondContact O-CB 3.3Å; S78-E82 PolarHBondContact O-N 3.39Å; E82-T86 HydrophobicContact CG-CG2 4.49Å |
| 83 | S | 55.5 | Low | 70.7 | Confident | 58 Ų | 58 | 114.7 Ų | 114.7 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | trans | -10 | 134.7 | -176.4 | 49.3 | 0 | 0 | 0 | 0 | 115.8 | Q81 F85 T86 | Q81-S83 PolarHBondContact O-N 3.26Å; S83-F85 PolarHBondContact O-N 3.32Å; S83-F85 PolarHBondContact OG-O 2.95Å; S83-T86 PolarHBondContact O-N 3.3Å; S83-T86 VanDerWaalsContact O-N 3.14Å; S83-T86 PolarHBondContact OG-N 3.42Å | ||
| 84 | Q | 58.3 | Low | 70.4 | Confident | 212 Ų | 212 | 113.2 Ų | 113.2 | 99% | 0.991 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -4 | 158.5 | -64.8 | -178.7 | -13.9 | 0 | 0 | 113.5 | ||
| 85 | F | 50.6 | Low | 70.3 | Confident | 175 Ų | 175 | 114 Ų | 114 | 77% | 0.768 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 46.6 | -178.4 | -151.2 | -91.1 | 0 | 0 | 0 | 110.4 | S83 | S83-F85 PolarHBondContact O-N 3.32Å; S83-F85 PolarHBondContact OG-O 2.95Å |
| 86 | T | 55.6 | Low | 70.5 | Confident | 62 Ų | 62 | 111.8 Ų | 111.8 | 38% | 0.38 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -85 | 129.9 | 140.4 | 49.1 | 0 | 0 | 0 | 0 | 105.8 | E82 S83 H88 | E82-T86 HydrophobicContact CG-CG2 4.49Å; S83-T86 PolarHBondContact O-N 3.3Å; S83-T86 VanDerWaalsContact O-N 3.14Å; S83-T86 PolarHBondContact OG-N 3.42Å; T86-H88 PolarHBondContact O-N 2.91Å |
| 87 | D | 68.5 | Low | 70.4 | Confident | 119 Ų | 119 | 108.2 Ų | 108.2 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | trans | -60.4 | 72 | 162.1 | -84.4 | -29.4 | 0 | 0 | 0 | 108.1 | Y89 | D87-Y89 VanDerWaalsContact C-N 3.26Å; D87-Y89 HydrophobicContact CB-CE2 4.25Å; D87-Y89 PolarHBondContact O-N 3.49Å | ||
| 88 | H | 66.1 | Low | 70.9 | Confident | 156 Ų | 156 | 110 Ų | 110 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | trans | -85.5 | 84 | -179.5 | -126.8 | 46.8 | 0 | 0 | 0 | 105.5 | T86 | T86-H88 PolarHBondContact O-N 2.91Š| ||
| 89 | Y | 70.6 | Confident | 71.7 | Confident | 97 Ų | 97 | 110.5 Ų | 110.5 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | trans | -52.4 | 137.9 | 166.6 | -60.1 | -68.1 | 0 | 0 | 0 | 108.3 | D87 D91 Y97 | D87-Y89 VanDerWaalsContact C-N 3.26Å; D87-Y89 HydrophobicContact CB-CE2 4.25Å; D87-Y89 PolarHBondContact O-N 3.49Å; Y89-D91 PolarHBondContact O-N 2.91Å; Y89-Y97 HydrophobicContact CD1-CD2 4.13Å; Y89-Y97 HydrophobicContact CD1-CE1 4.2Å; Y89-Y97 AromaticContact CD1-CE2 3.4Å; Y89-Y97 HydrophobicContact CD1-CE2 3.4Å; Y89-Y97 VanDerWaalsContact CD1-CE2 3.4Å; Y89-Y97 AromaticContact CD1-CZ 3.45Å; Y89-Y97 VanDerWaalsContact CD1-CZ 3.45Å; Y89-Y97 HydrophobicContact CD2-CD1 4.3Å; Y89-Y97 HydrophobicContact CD2-CD2 4.02Å; Y89-Y97 HydrophobicContact CD2-CE1 4.38Å; Y89-Y97 HydrophobicContact CD2-CE2 4.1Å; Y89-Y97 HydrophobicContact CD2-CG 4.13Å; Y89-Y97 HydrophobicContact CE1-CD1 4.5Å; Y89-Y97 AromaticContact CE1-CE1 3.68Å; Y89-Y97 HydrophobicContact CE1-CE1 3.68Å; Y89-Y97 AromaticContact CE1-CE2 3.73Å; Y89-Y97 HydrophobicContact CE1-CE2 3.73Å; Y89-Y97 AromaticContact CE1-CZ 3.22Å; Y89-Y97 WeakPolarHBondContact CE1-OH 3.49Å; Y89-Y97 AromaticContact CE2-CD1 3.91Å; Y89-Y97 HydrophobicContact CE2-CD1 3.91Å; Y89-Y97 HydrophobicContact CE2-CD2 4.41Å; Y89-Y97 AromaticContact CE2-CE1 3.84Å; Y89-Y97 HydrophobicContact CE2-CE1 3.84Å; Y89-Y97 HydrophobicContact CE2-CE2 4.35Å; Y89-Y97 HydrophobicContact CE2-CG 4.2Å; Y89-Y97 AromaticContact CG-CD2 3.85Å; Y89-Y97 HydrophobicContact CG-CD2 3.85Å; Y89-Y97 AromaticContact CG-CE2 3.61Å; Y89-Y97 HydrophobicContact CG-CE2 3.61Å; Y89-Y97 HydrophobicContact CG-CG 4.42Å; Y89-Y97 AromaticContact CG-CZ 3.99Å; Y89-Y97 AromaticContact CZ-CE1 3.45Å; Y89-Y97 VanDerWaalsContact CZ-CE1 3.45Å; Y89-Y97 AromaticContact CZ-CZ 3.55Å | ||
| 90 | P | 84.5 | Confident | 72.8 | Confident | 65 Ų | 65 | 111.1 Ų | 111.1 | 42% | 0.422 | 56% | 0.559 | S | S | . | * | trans | -47.4 | 136.1 | 174.6 | -27.2 | 33.3 | 0 | 0 | 0 | 110.5 | H92 L93 K94 | P90-H92 WeakPolarHBondContact CB-CE1 3.48Å; P90-H92 WeakPolarHBondContact CB-ND1 3.47Å; P90-H92 PolarHBondContact O-N 3.48Å; P90-L93 HydrophobicContact CB-CD1 4.42Å; P90-L93 HydrophobicContact CB-CG 4.47Å; P90-L93 HydrophobicContact CG-CD1 4.15Å; P90-L93 PolarHBondContact O-N 2.86Å; P90-K94 PolarHBondContact O-N 2.91Å | ||
| 91 | D | 76.2 | Confident | 74.1 | Confident | 137 Ų | 137 | 112.5 Ų | 112.5 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -34 | -174.1 | -116.3 | -1.9 | 0 | 0 | 0 | 112.7 | Y89 L93 K94 | Y89-D91 PolarHBondContact O-N 2.91Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.27Å; D91-K94 WeakPolarHBondContact O-CB 3.42Å |
| 92 | H | 85.2 | Confident | 75.3 | Confident | 133 Ų | 133 | 109.7 Ų | 109.7 | 62% | 0.616 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.5 | 178.4 | 71.4 | -83.9 | 0 | 0 | 0 | 114.3 | P90 H95 | P90-H92 WeakPolarHBondContact CB-CE1 3.48Å; P90-H92 WeakPolarHBondContact CB-ND1 3.47Å; P90-H92 PolarHBondContact O-N 3.48Å; H92-H95 PolarHBondContact O-CE1 3.03Å; H92-H95 PolarHBondContact O-ND1 2.89Å |
| 93 | L | 84.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 110.8 Ų | 110.8 | 31% | 0.314 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -11.8 | 177.6 | -63.1 | 178 | 0 | 0 | 0 | 113.2 | P90 D91 H95 L96 | P90-L93 HydrophobicContact CB-CD1 4.42Å; P90-L93 HydrophobicContact CB-CG 4.47Å; P90-L93 HydrophobicContact CG-CD1 4.15Å; P90-L93 PolarHBondContact O-N 2.86Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.27Å; L93-H95 PolarHBondContact O-N 3.47Å; L93-L96 HydrophobicContact CD2-CD1 4.02Å; L93-L96 WeakPolarHBondContact O-CB 3.28Å; L93-L96 PolarHBondContact O-N 3.28Å |
| 94 | K | 85.7 | Confident | 77.6 | Confident | 115 Ų | 115 | 111.5 Ų | 111.5 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -48.6 | -34.3 | 177.7 | -176.7 | 176.1 | -179.5 | 173.9 | 0 | 113.3 | P90 D91 Y97 L98 | P90-K94 PolarHBondContact O-N 2.91Å; D91-K94 WeakPolarHBondContact O-CB 3.42Å; K94-Y97 PolarHBondContact O-N 2.85Å; K94-L98 HydrophobicContact CG-CD1 4.07Å; K94-L98 HydrophobicContact CG-CG 4.36Å; K94-L98 WeakPolarHBondContact O-CG 3.43Å; K94-L98 PolarHBondContact O-N 2.96Å |
| 95 | H | 85.6 | Confident | 78.8 | Confident | 116 Ų | 116 | 107.2 Ų | 107.2 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -32.7 | -180 | 69.2 | -78.8 | 0 | 0 | 0 | 113.9 | H92 L93 A99 | H92-H95 PolarHBondContact O-CE1 3.03Å; H92-H95 PolarHBondContact O-ND1 2.89Å; L93-H95 PolarHBondContact O-N 3.47Å; H95-A99 WeakPolarHBondContact O-CB 3.3Å; H95-A99 PolarHBondContact O-N 3.27Å; H95-A99 VanDerWaalsContact O-N 3.07Å |
| 96 | L | 88.5 | Confident | 80.3 | Confident | 100 Ų | 100 | 104.1 Ų | 104.1 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 175.8 | -65.7 | 176.8 | 0 | 0 | 0 | 110.9 | L93 A99 E100 | L93-L96 HydrophobicContact CD2-CD1 4.02Å; L93-L96 WeakPolarHBondContact O-CB 3.28Å; L93-L96 PolarHBondContact O-N 3.28Å; L96-A99 WeakPolarHBondContact O-CB 3.39Å; L96-A99 PolarHBondContact O-N 2.85Å; L96-E100 PolarHBondContact O-N 2.8Å |
| 97 | Y | 80.3 | Confident | 81.4 | Confident | 85 Ų | 85 | 104.8 Ų | 104.8 | 33% | 0.333 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 177.9 | -75.1 | -84.6 | 0 | 0 | 0 | 112.2 | Y89 K94 A99 E100 E101 | Y89-Y97 HydrophobicContact CD1-CD2 4.13Å; Y89-Y97 HydrophobicContact CD1-CE1 4.2Å; Y89-Y97 AromaticContact CD1-CE2 3.4Å; Y89-Y97 HydrophobicContact CD1-CE2 3.4Å; Y89-Y97 VanDerWaalsContact CD1-CE2 3.4Å; Y89-Y97 AromaticContact CD1-CZ 3.45Å; Y89-Y97 VanDerWaalsContact CD1-CZ 3.45Å; Y89-Y97 HydrophobicContact CD2-CD1 4.3Å; Y89-Y97 HydrophobicContact CD2-CD2 4.02Å; Y89-Y97 HydrophobicContact CD2-CE1 4.38Å; Y89-Y97 HydrophobicContact CD2-CE2 4.1Å; Y89-Y97 HydrophobicContact CD2-CG 4.13Å; Y89-Y97 HydrophobicContact CE1-CD1 4.5Å; Y89-Y97 AromaticContact CE1-CE1 3.68Å; Y89-Y97 HydrophobicContact CE1-CE1 3.68Å; Y89-Y97 AromaticContact CE1-CE2 3.73Å; Y89-Y97 HydrophobicContact CE1-CE2 3.73Å; Y89-Y97 AromaticContact CE1-CZ 3.22Å; Y89-Y97 WeakPolarHBondContact CE1-OH 3.49Å; Y89-Y97 AromaticContact CE2-CD1 3.91Å; Y89-Y97 HydrophobicContact CE2-CD1 3.91Å; Y89-Y97 HydrophobicContact CE2-CD2 4.41Å; Y89-Y97 AromaticContact CE2-CE1 3.84Å; Y89-Y97 HydrophobicContact CE2-CE1 3.84Å; Y89-Y97 HydrophobicContact CE2-CE2 4.35Å; Y89-Y97 HydrophobicContact CE2-CG 4.2Å; Y89-Y97 AromaticContact CG-CD2 3.85Å; Y89-Y97 HydrophobicContact CG-CD2 3.85Å; Y89-Y97 AromaticContact CG-CE2 3.61Å; Y89-Y97 HydrophobicContact CG-CE2 3.61Å; Y89-Y97 HydrophobicContact CG-CG 4.42Å; Y89-Y97 AromaticContact CG-CZ 3.99Å; Y89-Y97 AromaticContact CZ-CE1 3.45Å; Y89-Y97 VanDerWaalsContact CZ-CE1 3.45Å; Y89-Y97 AromaticContact CZ-CZ 3.55Å; K94-Y97 PolarHBondContact O-N 2.85Å; Y97-A99 PolarHBondContact O-N 2.8Å; Y97-E100 PolarHBondContact O-N 3.08Å; Y97-E100 VanDerWaalsContact O-N 3.16Å; Y97-E101 WeakPolarHBondContact O-CG 3.3Å; Y97-E101 PolarHBondContact O-N 3.26Å |
| 98 | L | 87.4 | Confident | 81.6 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 174.6 | -69.9 | 175.3 | 0 | 0 | 0 | 111.9 | K94 E102 | K94-L98 HydrophobicContact CG-CD1 4.07Å; K94-L98 HydrophobicContact CG-CG 4.36Å; K94-L98 WeakPolarHBondContact O-CG 3.43Å; K94-L98 PolarHBondContact O-N 2.96Å; L98-E102 WeakPolarHBondContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CG 3.22Å; L98-E102 PolarHBondContact O-N 2.89Å |
| 99 | A | 84.6 | Confident | 81.7 | Confident | 59 Ų | 59 | 109.2 Ų | 109.2 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H95 L96 Y97 E102 R103 | H95-A99 WeakPolarHBondContact O-CB 3.3Å; H95-A99 PolarHBondContact O-N 3.27Å; H95-A99 VanDerWaalsContact O-N 3.07Å; L96-A99 WeakPolarHBondContact O-CB 3.39Å; L96-A99 PolarHBondContact O-N 2.85Å; Y97-A99 PolarHBondContact O-N 2.8Å; A99-E102 PolarHBondContact O-N 3.37Å; A99-R103 PolarHBondContact O-N 3.46Å |
| 100 | E | 83.3 | Confident | 81.4 | Confident | 110 Ų | 110 | 112.7 Ų | 112.7 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.2 | -171.9 | 175.7 | -169.6 | 0 | 0 | 111.9 | L96 Y97 E102 R103 L104 | L96-E100 PolarHBondContact O-N 2.8Å; Y97-E100 PolarHBondContact O-N 3.08Å; Y97-E100 VanDerWaalsContact O-N 3.16Å; E100-E102 VanDerWaalsContact C-N 3.32Å; E100-E102 PolarHBondContact O-N 3.25Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.01Å; E100-R103 VanDerWaalsContact O-N 3.09Å; E100-L104 HydrophobicContact CG-CD1 4.08Å; E100-L104 PolarHBondContact O-N 2.88Å |
| 101 | E | 85.4 | Confident | 80.4 | Confident | 123 Ų | 123 | 115.4 Ų | 115.4 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.3 | -43.1 | 174.4 | -74.2 | -179.9 | -177.1 | 0 | 0 | 111.7 | Y97 R103 L104 K105 | Y97-E101 WeakPolarHBondContact O-CG 3.3Å; Y97-E101 PolarHBondContact O-N 3.26Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.34Å; E101-L104 PolarHBondContact O-N 3.33Å; E101-K105 VanDerWaalsContact O-CB 3.25Å; E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 PolarHBondContact O-N 3.38Å |
| 102 | E | 85.6 | Confident | 79.2 | Confident | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.3 | -85.3 | -162.9 | -168.4 | 0 | 0 | 112.3 | L98 A99 E100 K105 K106 | L98-E102 WeakPolarHBondContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CG 3.22Å; L98-E102 PolarHBondContact O-N 2.89Å; A99-E102 PolarHBondContact O-N 3.37Å; E100-E102 VanDerWaalsContact C-N 3.32Å; E100-E102 PolarHBondContact O-N 3.25Å; E102-K105 PolarHBondContact O-N 3.24Å; E102-K106 VanDerWaalsContact O-CB 3.31Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 WeakPolarHBondContact O-CD 3.43Å; E102-K106 WeakPolarHBondContact O-CG 3.36Å; E102-K106 PolarHBondContact O-N 2.89Å; E102-K106 IonicContact OE2-NZ 3.66Å; E102-K106 PolarHBondContact OE2-NZ 2.94Å |
| 103 | R | 83.6 | Confident | 77.3 | Confident | 151 Ų | 151 | 112 Ų | 112 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 179 | -154.5 | -169.2 | 77.1 | 103.2 | 1 | 110.8 | A99 E100 E101 K106 Q107 | A99-R103 PolarHBondContact O-N 3.46Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.01Å; E100-R103 VanDerWaalsContact O-N 3.09Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.34Å; R103-K106 PolarHBondContact O-N 3.5Å; R103-Q107 VanDerWaalsContact CZ-NE2 3.34Å; R103-Q107 WeakPolarHBondContact O-CG 3.47Å; R103-Q107 PolarHBondContact O-N 2.95Å |
| 104 | L | 80.8 | Confident | 75.2 | Confident | 74 Ų | 74 | 114.2 Ų | 114.2 | 39% | 0.387 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -40.5 | 175.4 | -81.7 | 153.8 | 0 | 0 | 0 | 112.1 | E100 E101 Q107 R108 | E100-L104 HydrophobicContact CG-CD1 4.08Å; E100-L104 PolarHBondContact O-N 2.88Å; E101-L104 PolarHBondContact O-N 3.33Å; L104-Q107 WeakPolarHBondContact O-CB 3.37Å; L104-Q107 PolarHBondContact O-N 3.23Å; L104-R108 WeakPolarHBondContact O-CB 3.33Å; L104-R108 WeakPolarHBondContact O-CG 3.33Å; L104-R108 PolarHBondContact O-N 3.3Å |
| 105 | K | 83.4 | Confident | 73 | Confident | 121 Ų | 121 | 114.3 Ų | 114.3 | 53% | 0.526 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.7 | -39.2 | 175.9 | -169.7 | 175.1 | -174.5 | 174.2 | 0 | 111.7 | E101 E102 R108 R109 | E101-K105 VanDerWaalsContact O-CB 3.25Å; E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 PolarHBondContact O-N 3.38Å; E102-K105 PolarHBondContact O-N 3.24Å; K105-R108 PolarHBondContact O-N 3.1Å; K105-R109 WeakPolarHBondContact O-CB 3.49Å; K105-R109 WeakPolarHBondContact O-CG 3.44Å; K105-R109 PolarHBondContact O-N 2.94Å |
| 106 | K | 82.1 | Confident | 70.8 | Confident | 110 Ų | 110 | 114.4 Ų | 114.4 | 48% | 0.478 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.6 | -40.3 | 171.8 | -73.6 | 164.4 | -173 | 159.4 | 0 | 110.9 | E102 R103 R109 K110 | E102-K106 VanDerWaalsContact O-CB 3.31Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 WeakPolarHBondContact O-CD 3.43Å; E102-K106 WeakPolarHBondContact O-CG 3.36Å; E102-K106 PolarHBondContact O-N 2.89Å; E102-K106 IonicContact OE2-NZ 3.66Å; E102-K106 PolarHBondContact OE2-NZ 2.94Å; R103-K106 PolarHBondContact O-N 3.5Å; K106-R109 PolarHBondContact O-N 3.22Å; K106-K110 VanDerWaalsContact O-CG 3.29Å; K106-K110 WeakPolarHBondContact O-CG 3.39Å; K106-K110 PolarHBondContact O-N 3.05Å |
| 107 | Q | 78.9 | Confident | 68.7 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 36% | 0.36 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.3 | -47.5 | 172.9 | -75.1 | 177.1 | -13.9 | 0 | 0 | 112.3 | R103 L104 R109 K110 V111 | R103-Q107 VanDerWaalsContact CZ-NE2 3.34Å; R103-Q107 WeakPolarHBondContact O-CG 3.47Å; R103-Q107 PolarHBondContact O-N 2.95Å; L104-Q107 WeakPolarHBondContact O-CB 3.37Å; L104-Q107 PolarHBondContact O-N 3.23Å; Q107-R109 VanDerWaalsContact C-N 3.29Å; Q107-R109 PolarHBondContact O-N 3.15Å; Q107-K110 CarbonylContact O-C 3.55Å; Q107-K110 WeakPolarHBondContact O-CA 3.38Å; Q107-K110 WeakPolarHBondContact O-CB 3.44Å; Q107-K110 PolarHBondContact O-N 3.04Å; Q107-V111 WeakPolarHBondContact O-CG2 3.19Å; Q107-V111 PolarHBondContact O-N 3.48Å |
| 108 | R | 71.7 | Confident | 66.7 | Low | 194 Ų | 194 | 124 Ų | 124 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62 | -35.4 | 176.1 | -71.9 | -178.8 | -179.4 | -163.3 | 1.6 | 112.6 | L104 K105 K110 V111 G112 | L104-R108 WeakPolarHBondContact O-CB 3.33Å; L104-R108 WeakPolarHBondContact O-CG 3.33Å; L104-R108 PolarHBondContact O-N 3.3Å; K105-R108 PolarHBondContact O-N 3.1Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-V111 PolarHBondContact O-N 3.08Å; R108-G112 PolarHBondContact O-N 2.79Å |
| 109 | R | 67.8 | Low | 64.4 | Low | 174 Ų | 174 | 128.5 Ų | 128.5 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.8 | -29.9 | 172.1 | -75.7 | 173.3 | 174.5 | -174.7 | -4 | 113 | K105 K106 Q107 | K105-R109 WeakPolarHBondContact O-CB 3.49Å; K105-R109 WeakPolarHBondContact O-CG 3.44Å; K105-R109 PolarHBondContact O-N 2.94Å; K106-R109 PolarHBondContact O-N 3.22Å; Q107-R109 VanDerWaalsContact C-N 3.29Å; Q107-R109 PolarHBondContact O-N 3.15Å |
| 110 | K | 65.6 | Low | 62 | Low | 169 Ų | 169 | 131.2 Ų | 131.2 | 74% | 0.735 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75 | -32.3 | 171.7 | -71.5 | 173.6 | 176.5 | -165.1 | 0 | 112.4 | K106 Q107 R108 | K106-K110 VanDerWaalsContact O-CG 3.29Å; K106-K110 WeakPolarHBondContact O-CG 3.39Å; K106-K110 PolarHBondContact O-N 3.05Å; Q107-K110 CarbonylContact O-C 3.55Å; Q107-K110 WeakPolarHBondContact O-CA 3.38Å; Q107-K110 WeakPolarHBondContact O-CB 3.44Å; Q107-K110 PolarHBondContact O-N 3.04Å; R108-K110 VanDerWaalsContact C-N 3.32Å |
| 111 | V | 62.1 | Low | 59.8 | Low | 122 Ų | 122 | 133.2 Ų | 133.2 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84.8 | -28.6 | 179.9 | 174.6 | 0 | 0 | 0 | 0 | 112.7 | Q107 R108 L113 | Q107-V111 WeakPolarHBondContact O-CG2 3.19Å; Q107-V111 PolarHBondContact O-N 3.48Å; R108-V111 PolarHBondContact O-N 3.08Å; V111-L113 VanDerWaalsContact C-N 3.26Å; V111-L113 PolarHBondContact O-N 2.89Å |
| 112 | G | 51.7 | Low | 57.7 | Low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -83.5 | 8.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | R108 | R108-G112 PolarHBondContact O-N 2.79Š|
| 113 | L | 45.7 | Very low | 55.8 | Low | 133 Ų | 133 | 136 Ų | 136 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -87.4 | 114.3 | 165.2 | -152.6 | 77 | 0 | 0 | 0 | 106.1 | V111 | V111-L113 VanDerWaalsContact C-N 3.26Å; V111-L113 PolarHBondContact O-N 2.89Å |
| 114 | P | 38.6 | Very low | 53.7 | Low | 107 Ų | 107 | 133.2 Ų | 133.2 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | trans | -62.2 | 139.2 | 175.3 | 26.9 | -30.9 | 0 | 0 | 0 | 108.3 | S116 | P114-S116 PolarHBondContact O-N 3.13Å; P114-S116 VanDerWaalsContact O-N 3.17Å | ||
| 115 | P | 41.3 | Very low | 51.8 | Low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -66.7 | 115.3 | 173 | 28.5 | -29.3 | 0 | 0 | 0 | 107.1 | E117 | P115-E117 PolarHBondContact O-N 3.29Å; P115-E117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | S | 37.6 | Very low | 49.9 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -67.4 | 108.4 | 157.9 | 49.3 | 0 | 0 | 0 | 0 | 106.6 | P114 E118 | P114-S116 PolarHBondContact O-N 3.13Å; P114-S116 VanDerWaalsContact O-N 3.17Å; S116-E118 PolarHBondContact O-N 2.99Å | ||
| 117 | E | 46 | Very low | 48.1 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -52.7 | 114.6 | 167.1 | -65.4 | 175.1 | 152.1 | 0 | 0 | 109.5 | P115 | P115-E117 PolarHBondContact O-N 3.29Å; P115-E117 VanDerWaalsContact O-N 3.15Å | ||
| 118 | E | 36.9 | Very low | 46.1 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | -148.3 | 123.8 | 139 | -142 | 164.8 | -173.1 | 0 | 0 | 108.1 | S116 | S116-E118 PolarHBondContact O-N 2.99Š| ||
| 119 | Q | 39.1 | Very low | 43.8 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | -67.4 | 154.4 | -171.2 | -64.7 | 167.2 | 11.7 | 0 | 0 | 111.3 | ||||
| 120 | V | 35.8 | Very low | 42 | Very low | 115 Ų | 115 | 139 Ų | 139 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | 148.1 | 129.1 | 120.6 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 121 | D | 36 | Very low | 40.4 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 87.4 | 95 | 166 | -59 | -23.4 | 0 | 0 | 0 | 120.9 | ||||
| 122 | Q | 41 | Very low | 39.2 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -60.5 | 152.9 | 144.5 | -100.9 | -165.5 | 58.4 | 0 | 0 | 110.8 | ||||
| 123 | P | 46.1 | Very low | 38.3 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | -141.2 | 160.8 | 69.8 | 34.3 | -14.5 | 0 | 0 | 0 | 117.3 | |||||
| 124 | V | 38.9 | Very low | 37.4 | Very low | 94 Ų | 94 | 143 Ų | 143 | 57% | 0.57 | 77% | 0.773 | S | S | * | * | trans | -70 | 147.4 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | E126 | V124-E126 HydrophobicContact CG1-CB 4.42Å; V124-E126 HydrophobicContact CG1-CG 3.99Å; V124-E126 VanDerWaalsContact CG1-N 3.29Å | ||
| 125 | P | 40.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 146 Ų | 146 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -130 | 122.7 | 109.1 | 15.1 | 5.3 | 0 | 0 | 0 | 109.6 | |||||
| 126 | E | 45 | Very low | 36.8 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | 38.7 | 104.9 | 86.1 | -74.1 | -178.2 | -158.6 | 0 | 0 | 111.6 | V124 | V124-E126 HydrophobicContact CG1-CB 4.42Å; V124-E126 HydrophobicContact CG1-CG 3.99Å; V124-E126 VanDerWaalsContact CG1-N 3.29Å | |||
| 127 | E | 44.6 | Very low | 36.6 | Very low | 199 Ų | 199 | 147.4 Ų | 147.4 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -154.5 | 123.9 | 131.2 | -79.6 | -127 | 173.1 | 0 | 0 | 109.6 | ||||
| 128 | E | 35.3 | Very low | 36.1 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -79.6 | 158.8 | 177.5 | -56.7 | 179.3 | 141.6 | 0 | 0 | 110.9 | ||||
| 129 | C | 25 | Very low | 35.9 | Very low | 91 Ų | 91 | 147 Ų | 147 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | trans | 28.1 | 140.8 | 140.7 | 80.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 130 | N | 29.2 | Very low | 35.8 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | trans | 89.7 | 107.6 | 144.6 | -55 | -31.8 | 0 | 0 | 0 | 118.5 | ||||
| 131 | T | 32.7 | Very low | 35.5 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | -133.2 | 115.3 | 123.4 | -46.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 132 | E | 35 | Very low | 35.8 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | trans | -70.2 | 170.7 | 176.4 | -51.5 | -165.2 | 153.5 | 0 | 0 | 112.8 | ||||
| 133 | Q | 34.6 | Very low | 35.6 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 66.7 | 113 | 146.4 | -72.4 | 168.1 | 25.7 | 0 | 0 | 117.5 | ||||
| 134 | T | 26.8 | Very low | 35.6 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -156.1 | 107.9 | 94.2 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | S136 | T134-S136 PolarHBondContact O-N 3.37Š| |||
| 135 | L | 34.1 | Very low | 35.6 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -56.6 | 119.6 | 150.7 | -84.2 | 148.8 | 0 | 0 | 0 | 108.1 | ||||
| 136 | S | 33.1 | Very low | 35.3 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -125.3 | 80.3 | 159.3 | -170.8 | 0 | 0 | 0 | 0 | 108 | T134 | T134-S136 PolarHBondContact O-N 3.37Š| ||
| 137 | E | 33.8 | Very low | 35.5 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | trans | 28.2 | 104.8 | 130.3 | -146.6 | 161.4 | 147.5 | 0 | 0 | 116.8 | Q139 | E137-Q139 PolarHBondContact O-N 2.82Š| ||
| 138 | K | 35.2 | Very low | 35 | Very low | 208 Ų | 208 | 144.7 Ų | 144.7 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -48.1 | 110.1 | 150.5 | -85.1 | 171.2 | 167.9 | 174 | 0 | 109.1 | ||||
| 139 | Q | 31.3 | Very low | 36 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -102.6 | 106.7 | 149.2 | -72.8 | -173.3 | -12.7 | 0 | 0 | 108.5 | E137 | E137-Q139 PolarHBondContact O-N 2.82Š| ||
| 140 | S | 37.3 | Very low | 36.8 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -53.4 | 127.2 | 150.7 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 141 | S | 29 | Very low | 36.7 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -137.7 | 104.1 | 155 | 176 | 0 | 0 | 0 | 0 | 107.7 | H143 | S141-H143 PolarHBondContact O-N 3.09Š| ||
| 142 | D | 43 | Very low | 37.2 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -61.1 | 110.8 | 163.3 | -73.8 | -56.1 | 0 | 0 | 0 | 109.4 | ||||
| 143 | H | 37 | Very low | 38.2 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -115.1 | 87.2 | 154.6 | -76.9 | -32.8 | 0 | 0 | 0 | 109.7 | S141 S145 | S141-H143 PolarHBondContact O-N 3.09Å; H143-S145 PolarHBondContact O-N 3.25Å | ||
| 144 | Q | 46.9 | Very low | 38.6 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -35.9 | 120.4 | 144.4 | -166 | 172.5 | 20.8 | 0 | 0 | 110.4 | ||||
| 145 | S | 37.7 | Very low | 40 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -143.3 | 107.1 | 162.6 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | H143 | H143-S145 PolarHBondContact O-N 3.25Š| ||
| 146 | Q | 34.8 | Very low | 40.7 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -62 | 165.4 | 171.9 | -81.8 | -77.4 | -35 | 0 | 0 | 111.4 | ||||
| 147 | P | 48.7 | Very low | 42.1 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -87.4 | 132.8 | -163.7 | 34.3 | -30.2 | 0 | 0 | 0 | 111.2 | ||||
| 148 | E | 34.8 | Very low | 43.5 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -112 | 111.3 | 162 | -64.6 | -159 | 167.7 | 0 | 0 | 109 | ||||
| 149 | Q | 55.4 | Low | 44.8 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -75.8 | 158.7 | 169.1 | -65.1 | -174.1 | -6.4 | 0 | 0 | 110.1 | ||||
| 150 | L | 43.6 | Very low | 46.8 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | 88.2 | 110.9 | 158.7 | -48.6 | 175.4 | 0 | 0 | 0 | 115.8 | ||||
| 151 | C | 25.8 | Very low | 48.6 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 90% | 0.899 | 79% | 0.788 | S | S | * | * | -171.2 | 121.1 | 111.7 | -89.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 152 | T | 43.6 | Very low | 51.1 | Low | 138 Ų | 138 | 148.4 Ų | 148.4 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -117.6 | 146.8 | 144.4 | 29.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 153 | P | 55.3 | Low | 53 | Low | 108 Ų | 108 | 145.8 Ų | 145.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -129.3 | 161.6 | 36.2 | 35.4 | -17.7 | 0 | 0 | 0 | 113.1 | ||||
| 154 | N | 43.6 | Very low | 55.5 | Low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | 165.5 | 104.8 | 145.7 | -79.1 | -25 | 0 | 0 | 0 | 108.6 | V156 | N154-V156 PolarHBondContact O-N 2.93Š| ||
| 155 | S | 55.8 | Low | 57.6 | Low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -74.3 | 76.3 | 176.5 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | T157 | S155-T157 PolarHBondContact O-N 2.99Š| ||
| 156 | V | 50.1 | Low | 60.2 | Low | 117 Ų | 117 | 138 Ų | 138 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | trans | -79.2 | 114.4 | 160.7 | -178.6 | 0 | 0 | 0 | 0 | 106.2 | N154 V158 | N154-V156 PolarHBondContact O-N 2.93Å; V156-V158 HydrophobicContact CG1-CG2 4.25Å; V156-V158 PolarHBondContact O-N 3.38Å | ||
| 157 | T | 62.3 | Low | 63 | Low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -68.2 | 78.5 | 175.7 | 48 | 0 | 0 | 0 | 0 | 109.7 | S155 | S155-T157 PolarHBondContact O-N 2.99Š| ||
| 158 | V | 63.3 | Low | 65.1 | Low | 111 Ų | 111 | 135.5 Ų | 135.5 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | trans | -70.4 | 125.9 | 169.5 | -172.2 | 0 | 0 | 0 | 0 | 107.5 | V156 K160 | V156-V158 HydrophobicContact CG1-CG2 4.25Å; V156-V158 PolarHBondContact O-N 3.38Å; V158-K160 PolarHBondContact O-N 3.16Å | ||
| 159 | P | 60.5 | Low | 67.8 | Low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | trans | -62.5 | 113.8 | 178.7 | 24.1 | -31.8 | 0 | 0 | 0 | 109.1 | K161 | P159-K161 PolarHBondContact O-N 3.47Å; P159-K161 VanDerWaalsContact O-N 3.12Å | ||
| 160 | K | 74 | Confident | 69.7 | Low | 200 Ų | 200 | 126.2 Ų | 126.2 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 118.9 | 178.2 | -68.3 | 179.5 | -179.2 | 175.3 | 0 | 108.7 | V158 K162 | V158-K160 PolarHBondContact O-N 3.16Å; K160-K162 PolarHBondContact O-N 3.01Å |
| 161 | K | 75.9 | Confident | 72.1 | Confident | 201 Ų | 201 | 121.6 Ų | 121.6 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 133.7 | 170.7 | -65.6 | -174.1 | -178.7 | -179.4 | 0 | 108.5 | P159 K163 | P159-K161 PolarHBondContact O-N 3.47Å; P159-K161 VanDerWaalsContact O-N 3.12Å; K161-K163 PolarHBondContact O-N 3.42Å |
| 162 | K | 80.9 | Confident | 75.4 | Confident | 202 Ų | 202 | 119.5 Ų | 119.5 | 88% | 0.878 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.5 | -179.7 | -66.4 | 178.8 | -177.5 | 175 | 0 | 108.3 | K160 | K160-K162 PolarHBondContact O-N 3.01Š|
| 163 | K | 82.6 | Confident | 77.9 | Confident | 96 Ų | 96 | 119.6 Ų | 119.6 | 42% | 0.417 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 140.8 | 177.3 | -56.1 | -173.6 | -174.5 | -172.1 | 0 | 110.4 | K161 Q167 K168 E171 | K161-K163 PolarHBondContact O-N 3.42Å; K163-Q167 HydrophobicContact CB-CB 4.35Å; K163-K168 HydrophobicContact CB-CG 4.03Å; K163-K168 WeakPolarHBondContact O-CE 3.28Å; K163-E171 VanDerWaalsContact CD-OE1 3.24Å; K163-E171 WeakPolarHBondContact CD-OE1 3.28Å; K163-E171 WeakPolarHBondContact CE-OE1 3.48Å; K163-E171 IonicContact NZ-OE1 2.86Å; K163-E171 PolarHBondContact NZ-OE1 3.36Å; K163-E171 IonicContact NZ-OE2 2.58Å; K163-E171 PolarHBondContact NZ-OE2 2.8Å |
| 164 | T | 90.4 | Very high | 79.9 | Confident | 76 Ų | 76 | 120.6 Ų | 120.6 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 158 | 175.3 | 71.4 | 0 | 0 | 0 | 0 | 110.1 | N166 Q167 K168 | T164-N166 PolarHBondContact O-N 3.14Å; T164-Q167 VanDerWaalsContact N-OE1 3.13Å; T164-Q167 PolarHBondContact O-N 3.41Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.24Å; T164-Q167 PolarHBondContact OG1-N 3.03Å; T164-K168 PolarHBondContact O-N 2.95Å; T164-K168 VanDerWaalsContact O-N 3.1Å |
| 165 | S | 91.2 | Very high | 82.4 | Confident | 104 Ų | 104 | 119.7 Ų | 119.7 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55 | -41.6 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | K168 A169 | S165-K168 WeakPolarHBondContact O-CB 3.39Å; S165-K168 PolarHBondContact O-N 3.47Å; S165-A169 PolarHBondContact O-N 3.28Å |
| 166 | N | 91.3 | Very high | 84.2 | Confident | 107 Ų | 107 | 117.1 Ų | 117.1 | 57% | 0.572 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64 | -44.4 | 179.5 | -168.6 | -55.7 | 0 | 0 | 0 | 112.1 | T164 K168 A169 Q170 | T164-N166 PolarHBondContact O-N 3.14Å; N166-K168 VanDerWaalsContact C-N 3.29Å; N166-K168 PolarHBondContact O-N 3.46Å; N166-A169 WeakPolarHBondContact O-CB 3.44Å; N166-A169 PolarHBondContact O-N 2.87Å; N166-A169 VanDerWaalsContact O-N 3.08Å; N166-Q170 PolarHBondContact O-N 2.86Å; N166-Q170 VanDerWaalsContact O-N 3.09Å |
| 167 | Q | 93 | Very high | 86.4 | Confident | 91 Ų | 91 | 116.1 Ų | 116.1 | 43% | 0.425 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60 | -39.2 | 174.9 | -70.8 | 168.7 | -6.1 | 0 | 0 | 112 | K163 T164 A169 Q170 E171 | K163-Q167 HydrophobicContact CB-CB 4.35Å; T164-Q167 VanDerWaalsContact N-OE1 3.13Å; T164-Q167 PolarHBondContact O-N 3.41Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.24Å; T164-Q167 PolarHBondContact OG1-N 3.03Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.31Å; Q167-Q170 PolarHBondContact O-N 2.84Å; Q167-E171 WeakPolarHBondContact O-CG 3.2Å; Q167-E171 PolarHBondContact O-N 3.37Å; Q167-E171 VanDerWaalsContact O-N 3.14Å |
| 168 | K | 92.7 | Very high | 88 | Confident | 120 Ų | 120 | 112.6 Ų | 112.6 | 52% | 0.522 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -38 | 175.1 | -66.9 | 178.3 | -176.8 | 178.3 | 0 | 112.1 | K163 T164 S165 N166 E171 E172 | K163-K168 HydrophobicContact CB-CG 4.03Å; K163-K168 WeakPolarHBondContact O-CE 3.28Å; T164-K168 PolarHBondContact O-N 2.95Å; T164-K168 VanDerWaalsContact O-N 3.1Å; S165-K168 WeakPolarHBondContact O-CB 3.39Å; S165-K168 PolarHBondContact O-N 3.47Å; N166-K168 VanDerWaalsContact C-N 3.29Å; N166-K168 PolarHBondContact O-N 3.46Å; K168-E171 PolarHBondContact O-N 2.85Å; K168-E172 WeakPolarHBondContact O-CG 3.35Å; K168-E172 PolarHBondContact O-N 3.35Å |
| 169 | A | 93.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 113.7 Ų | 113.7 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.8 | -39.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | S165 N166 Q167 E172 Y173 | S165-A169 PolarHBondContact O-N 3.28Å; N166-A169 WeakPolarHBondContact O-CB 3.44Å; N166-A169 PolarHBondContact O-N 2.87Å; N166-A169 VanDerWaalsContact O-N 3.08Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.31Å; A169-E172 PolarHBondContact O-N 2.9Å; A169-Y173 WeakPolarHBondContact O-CB 3.48Å; A169-Y173 PolarHBondContact O-N 2.86Å |
| 170 | Q | 94.8 | Very high | 91.1 | Very high | 110 Ų | 110 | 116 Ų | 116 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.9 | -46.6 | 174.9 | -68.8 | 177 | -19.7 | 0 | 0 | 111.6 | N166 Q167 E172 Y173 E174 | N166-Q170 PolarHBondContact O-N 2.86Å; N166-Q170 VanDerWaalsContact O-N 3.09Å; Q167-Q170 PolarHBondContact O-N 2.84Å; Q170-E172 PolarHBondContact O-N 2.86Å; Q170-Y173 WeakPolarHBondContact O-CB 3.47Å; Q170-Y173 PolarHBondContact O-N 3.25Å; Q170-Y173 VanDerWaalsContact O-N 3.17Å; Q170-E174 WeakPolarHBondContact O-CG 3.39Å; Q170-E174 PolarHBondContact O-N 3.43Å |
| 171 | E | 94.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 109.3 Ų | 109.3 | 26% | 0.262 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.7 | -71.8 | 175.7 | -167.6 | 0 | 0 | 112.8 | K163 Q167 K168 Y173 E174 R175 | K163-E171 VanDerWaalsContact CD-OE1 3.24Å; K163-E171 WeakPolarHBondContact CD-OE1 3.28Å; K163-E171 WeakPolarHBondContact CE-OE1 3.48Å; K163-E171 IonicContact NZ-OE1 2.86Å; K163-E171 PolarHBondContact NZ-OE1 3.36Å; K163-E171 IonicContact NZ-OE2 2.58Å; K163-E171 PolarHBondContact NZ-OE2 2.8Å; Q167-E171 WeakPolarHBondContact O-CG 3.2Å; Q167-E171 PolarHBondContact O-N 3.37Å; Q167-E171 VanDerWaalsContact O-N 3.14Å; K168-E171 PolarHBondContact O-N 2.85Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-E174 PolarHBondContact O-N 2.87Å; E171-R175 WeakPolarHBondContact O-CB 3.34Å; E171-R175 WeakPolarHBondContact O-CD 3.43Å; E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 2.92Å |
| 172 | E | 95.2 | Very high | 93.1 | Very high | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 175.5 | -73.9 | -60.6 | 149.8 | 0 | 0 | 112 | K168 A169 Q170 R175 I176 | K168-E172 WeakPolarHBondContact O-CG 3.35Å; K168-E172 PolarHBondContact O-N 3.35Å; A169-E172 PolarHBondContact O-N 2.9Å; Q170-E172 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 3.28Å; E172-R175 IonicContact OE1-CZ 2.71Å; E172-R175 IonicContact OE1-NH1 3.82Å; E172-R175 PolarHBondContact OE1-NH1 3.44Å; E172-I176 WeakPolarHBondContact O-CB 3.5Å; E172-I176 WeakPolarHBondContact O-CD1 3.32Å; E172-I176 VanDerWaalsContact O-CG1 3.24Å; E172-I176 WeakPolarHBondContact O-CG1 3.41Å; E172-I176 PolarHBondContact O-N 3.21Å |
| 173 | Y | 95.6 | Very high | 93.8 | Very high | 141 Ų | 141 | 99.4 Ų | 99.4 | 55% | 0.553 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -46.7 | 174.3 | 177.8 | -106.9 | 0 | 0 | 0 | 111.7 | A169 Q170 E171 R175 I176 Q177 | A169-Y173 WeakPolarHBondContact O-CB 3.48Å; A169-Y173 PolarHBondContact O-N 2.86Å; Q170-Y173 WeakPolarHBondContact O-CB 3.47Å; Q170-Y173 PolarHBondContact O-N 3.25Å; Q170-Y173 VanDerWaalsContact O-N 3.17Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; Y173-R175 VanDerWaalsContact C-N 3.35Å; Y173-R175 PolarHBondContact O-N 3.1Å; Y173-I176 PolarHBondContact O-N 3.4Å; Y173-Q177 HydrophobicContact CD1-CG 4.3Å; Y173-Q177 HydrophobicContact CE1-CG 4.02Å; Y173-Q177 VanDerWaalsContact CE1-NE2 3.25Å; Y173-Q177 HydrophobicContact CE2-CG 4.39Å; Y173-Q177 WeakPolarHBondContact O-CB 3.24Å; Y173-Q177 WeakPolarHBondContact O-CG 3.22Å; Y173-Q177 PolarHBondContact O-N 3.47Å; Y173-Q177 PolarHBondContact OH-NE2 3.44Å |
| 174 | E | 96.5 | Very high | 94.4 | Very high | 128 Ų | 128 | 101.8 Ų | 101.8 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | 176.1 | -70.9 | 175.6 | -176.3 | 0 | 0 | 112 | Q170 E171 I176 Q177 A178 | Q170-E174 WeakPolarHBondContact O-CG 3.39Å; Q170-E174 PolarHBondContact O-N 3.43Å; E171-E174 PolarHBondContact O-N 2.87Å; E174-I176 VanDerWaalsContact C-N 3.33Å; E174-I176 PolarHBondContact O-N 3.41Å; E174-Q177 WeakPolarHBondContact O-CB 3.27Å; E174-Q177 PolarHBondContact O-N 3.01Å; E174-A178 WeakPolarHBondContact O-CB 3.48Å; E174-A178 PolarHBondContact O-N 2.93Å |
| 175 | R | 95.8 | Very high | 94.5 | Very high | 129 Ų | 129 | 104 Ų | 104 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.6 | -74.7 | 168.1 | 178.2 | -172 | -1.4 | 111.9 | E171 E172 Y173 K179 | E171-R175 WeakPolarHBondContact O-CB 3.34Å; E171-R175 WeakPolarHBondContact O-CD 3.43Å; E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 2.92Å; E172-R175 PolarHBondContact O-N 3.28Å; E172-R175 IonicContact OE1-CZ 2.71Å; E172-R175 IonicContact OE1-NH1 3.82Å; E172-R175 PolarHBondContact OE1-NH1 3.44Å; Y173-R175 VanDerWaalsContact C-N 3.35Å; Y173-R175 PolarHBondContact O-N 3.1Å; R175-K179 WeakPolarHBondContact O-CB 3.27Å; R175-K179 VanDerWaalsContact O-CG 3.24Å; R175-K179 WeakPolarHBondContact O-CG 3.47Å; R175-K179 PolarHBondContact O-N 3.48Å |
| 176 | I | 95.3 | Very high | 94.7 | Very high | 70 Ų | 70 | 105.2 Ų | 105.2 | 36% | 0.359 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 177.1 | -70.8 | 161.5 | 0 | 0 | 0 | 110.4 | E172 Y173 E174 K179 R180 | E172-I176 WeakPolarHBondContact O-CB 3.5Å; E172-I176 WeakPolarHBondContact O-CD1 3.32Å; E172-I176 VanDerWaalsContact O-CG1 3.24Å; E172-I176 WeakPolarHBondContact O-CG1 3.41Å; E172-I176 PolarHBondContact O-N 3.21Å; Y173-I176 PolarHBondContact O-N 3.4Å; E174-I176 VanDerWaalsContact C-N 3.33Å; E174-I176 PolarHBondContact O-N 3.41Å; I176-K179 PolarHBondContact O-N 3.42Å; I176-R180 HydrophobicContact CG2-CG 4.49Å; I176-R180 WeakPolarHBondContact O-CB 3.35Å; I176-R180 VanDerWaalsContact O-CG 3.27Å; I176-R180 WeakPolarHBondContact O-CG 3.42Å; I176-R180 PolarHBondContact O-N 3.18Å |
| 177 | Q | 95.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -51.5 | 173.8 | -76.4 | -116.3 | 29.7 | 0 | 0 | 111.4 | Y173 E174 K179 R180 A181 | Y173-Q177 HydrophobicContact CD1-CG 4.3Å; Y173-Q177 HydrophobicContact CE1-CG 4.02Å; Y173-Q177 VanDerWaalsContact CE1-NE2 3.25Å; Y173-Q177 HydrophobicContact CE2-CG 4.39Å; Y173-Q177 WeakPolarHBondContact O-CB 3.24Å; Y173-Q177 WeakPolarHBondContact O-CG 3.22Å; Y173-Q177 PolarHBondContact O-N 3.47Å; Y173-Q177 PolarHBondContact OH-NE2 3.44Å; E174-Q177 WeakPolarHBondContact O-CB 3.27Å; E174-Q177 PolarHBondContact O-N 3.01Å; Q177-K179 PolarHBondContact O-N 2.82Å; Q177-R180 WeakPolarHBondContact O-CB 3.48Å; Q177-R180 PolarHBondContact O-N 2.71Å; Q177-R180 VanDerWaalsContact O-N 3.1Å; Q177-A181 PolarHBondContact O-N 3.12Å |
| 178 | A | 96.4 | Very high | 95 | Very high | 62 Ų | 62 | 106.7 Ų | 106.7 | 51% | 0.512 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E174 R180 A181 A182 | E174-A178 WeakPolarHBondContact O-CB 3.48Å; E174-A178 PolarHBondContact O-N 2.93Å; A178-R180 VanDerWaalsContact C-N 3.32Å; A178-R180 PolarHBondContact O-N 2.58Å; A178-A181 PolarHBondContact O-N 2.91Å; A178-A182 WeakPolarHBondContact O-CB 3.19Å; A178-A182 PolarHBondContact O-N 2.93Å |
| 179 | K | 94.9 | Very high | 95.2 | Very high | 135 Ų | 135 | 104.2 Ų | 104.2 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -39.4 | 175 | -75.6 | 173.2 | -176.9 | 175.6 | 0 | 112.4 | R175 I176 Q177 K183 | R175-K179 WeakPolarHBondContact O-CB 3.27Å; R175-K179 VanDerWaalsContact O-CG 3.24Å; R175-K179 WeakPolarHBondContact O-CG 3.47Å; R175-K179 PolarHBondContact O-N 3.48Å; I176-K179 PolarHBondContact O-N 3.42Å; Q177-K179 PolarHBondContact O-N 2.82Å; K179-K183 WeakPolarHBondContact O-CB 3.48Å; K179-K183 VanDerWaalsContact O-CG 3.28Å; K179-K183 WeakPolarHBondContact O-CG 3.36Å; K179-K183 PolarHBondContact O-N 3.35Å; K179-K183 VanDerWaalsContact O-N 3.09Å |
| 180 | R | 93.3 | Very high | 95.3 | Very high | 163 Ų | 163 | 108.9 Ų | 108.9 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -41.7 | 176.3 | -73.2 | 172.3 | -178.8 | -179.6 | 2.5 | 111.2 | I176 Q177 A178 K183 K184 | I176-R180 HydrophobicContact CG2-CG 4.49Å; I176-R180 WeakPolarHBondContact O-CB 3.35Å; I176-R180 VanDerWaalsContact O-CG 3.27Å; I176-R180 WeakPolarHBondContact O-CG 3.42Å; I176-R180 PolarHBondContact O-N 3.18Å; Q177-R180 WeakPolarHBondContact O-CB 3.48Å; Q177-R180 PolarHBondContact O-N 2.71Å; Q177-R180 VanDerWaalsContact O-N 3.1Å; A178-R180 VanDerWaalsContact C-N 3.32Å; A178-R180 PolarHBondContact O-N 2.58Å; R180-K183 PolarHBondContact O-N 3.3Å; R180-K184 WeakPolarHBondContact O-CG 3.49Å; R180-K184 PolarHBondContact O-N 3.39Å |
| 181 | A | 96.3 | Very high | 95.4 | Very high | 58 Ų | 58 | 108.6 Ų | 108.6 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q177 A178 K183 K184 F185 | Q177-A181 PolarHBondContact O-N 3.12Å; A178-A181 PolarHBondContact O-N 2.91Å; A181-K183 PolarHBondContact O-N 2.98Å; A181-K184 WeakPolarHBondContact O-CB 3.42Å; A181-K184 PolarHBondContact O-N 3.22Å; A181-K184 VanDerWaalsContact O-N 3.16Å; A181-F185 PolarHBondContact O-N 3.42Å |
| 182 | A | 95.4 | Very high | 95.5 | Very high | 48 Ų | 48 | 112.3 Ų | 112.3 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.7 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A178 K184 F185 E186 | A178-A182 WeakPolarHBondContact O-CB 3.19Å; A178-A182 PolarHBondContact O-N 2.93Å; A182-K184 VanDerWaalsContact C-N 3.34Å; A182-K184 PolarHBondContact O-N 2.95Å; A182-F185 PolarHBondContact O-N 3.4Å; A182-E186 WeakPolarHBondContact O-CB 3.24Å; A182-E186 WeakPolarHBondContact O-CG 3.36Å; A182-E186 PolarHBondContact O-N 2.87Å |
| 183 | K | 95.3 | Very high | 95.5 | Very high | 147 Ų | 147 | 113.5 Ų | 113.5 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 176.2 | -75.9 | 178.7 | 178.4 | -174.6 | 0 | 113.4 | K179 R180 A181 F187 | K179-K183 WeakPolarHBondContact O-CB 3.48Å; K179-K183 VanDerWaalsContact O-CG 3.28Å; K179-K183 WeakPolarHBondContact O-CG 3.36Å; K179-K183 PolarHBondContact O-N 3.35Å; K179-K183 VanDerWaalsContact O-N 3.09Å; R180-K183 PolarHBondContact O-N 3.3Å; A181-K183 PolarHBondContact O-N 2.98Å; K183-F187 WeakPolarHBondContact O-CB 3.44Å; K183-F187 PolarHBondContact O-N 3.41Å; K183-F187 VanDerWaalsContact O-N 3.1Å |
| 184 | K | 95.3 | Very high | 95.5 | Very high | 146 Ų | 146 | 112.7 Ų | 112.7 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -47.7 | 175.4 | -77.3 | 179.1 | 178.3 | -174.9 | 0 | 110.7 | R180 A181 A182 F187 E188 | R180-K184 WeakPolarHBondContact O-CG 3.49Å; R180-K184 PolarHBondContact O-N 3.39Å; A181-K184 WeakPolarHBondContact O-CB 3.42Å; A181-K184 PolarHBondContact O-N 3.22Å; A181-K184 VanDerWaalsContact O-N 3.16Å; A182-K184 VanDerWaalsContact C-N 3.34Å; A182-K184 PolarHBondContact O-N 2.95Å; K184-F187 WeakPolarHBondContact O-CB 3.34Å; K184-F187 PolarHBondContact O-N 2.98Å; K184-E188 PolarHBondContact O-N 3.23Å |
| 185 | F | 93.7 | Very high | 95.5 | Very high | 122 Ų | 122 | 111.1 Ų | 111.1 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 178.8 | -177.5 | -98.4 | 0 | 0 | 0 | 112 | A181 A182 F187 E188 M189 | A181-F185 PolarHBondContact O-N 3.42Å; A182-F185 PolarHBondContact O-N 3.4Å; F185-F187 VanDerWaalsContact C-N 3.27Å; F185-F187 PolarHBondContact O-N 3.28Å; F185-E188 PolarHBondContact O-N 3.49Å; F185-E188 VanDerWaalsContact O-N 3.14Å; F185-M189 HydrophobicContact CD1-CG 4.07Å; F185-M189 HydrophobicContact CE1-CG 3.65Å; F185-M189 HydrophobicContact CE1-SD 4.34Å; F185-M189 HydrophobicContact CE2-CG 4.31Å; F185-M189 HydrophobicContact CE2-SD 4.32Å; F185-M189 HydrophobicContact CZ-CG 3.78Å; F185-M189 HydrophobicContact CZ-SD 3.89Å; F185-M189 WeakPolarHBondContact O-CG 3.33Å; F185-M189 PolarHBondContact O-N 3.08Å |
| 186 | E | 94.4 | Very high | 95.6 | Very high | 130 Ų | 130 | 110.7 Ų | 110.7 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.3 | -41.1 | 175 | -75.3 | 176.1 | -174.6 | 0 | 0 | 112.3 | A182 R190 | A182-E186 WeakPolarHBondContact O-CB 3.24Å; A182-E186 WeakPolarHBondContact O-CG 3.36Å; A182-E186 PolarHBondContact O-N 2.87Å; E186-R190 WeakPolarHBondContact O-CB 3.41Å; E186-R190 PolarHBondContact O-N 3.03Å |
| 187 | F | 95.1 | Very high | 95.7 | Very high | 128 Ų | 128 | 110 Ų | 110 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 177.7 | -179.4 | -93.7 | 0 | 0 | 0 | 112.3 | K183 K184 F185 R190 K191 | K183-F187 WeakPolarHBondContact O-CB 3.44Å; K183-F187 PolarHBondContact O-N 3.41Å; K183-F187 VanDerWaalsContact O-N 3.1Å; K184-F187 WeakPolarHBondContact O-CB 3.34Å; K184-F187 PolarHBondContact O-N 2.98Å; F185-F187 VanDerWaalsContact C-N 3.27Å; F185-F187 PolarHBondContact O-N 3.28Å; F187-R190 PolarHBondContact O-N 3.43Å; F187-K191 WeakPolarHBondContact O-CB 3.41Å; F187-K191 PolarHBondContact O-N 3.1Å |
| 188 | E | 95.6 | Very high | 95.8 | Very high | 101 Ų | 101 | 110.8 Ų | 110.8 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.6 | -73.9 | 179.9 | -173.1 | 0 | 0 | 112 | K184 F185 R190 K191 R192 | K184-E188 PolarHBondContact O-N 3.23Å; F185-E188 PolarHBondContact O-N 3.49Å; F185-E188 VanDerWaalsContact O-N 3.14Å; E188-R190 PolarHBondContact O-N 3.34Å; E188-K191 WeakPolarHBondContact O-CB 3.48Å; E188-K191 PolarHBondContact O-N 3.24Å; E188-K191 VanDerWaalsContact O-N 3.15Å; E188-R192 WeakPolarHBondContact O-CG 3.48Å; E188-R192 PolarHBondContact O-N 3.4Å |
| 189 | M | 96.3 | Very high | 95.9 | Very high | 69 Ų | 69 | 116.6 Ų | 116.6 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 175.6 | -68.3 | -57.5 | -69.6 | 0 | 0 | 110.9 | F185 K191 R192 E193 | F185-M189 HydrophobicContact CD1-CG 4.07Å; F185-M189 HydrophobicContact CE1-CG 3.65Å; F185-M189 HydrophobicContact CE1-SD 4.34Å; F185-M189 HydrophobicContact CE2-CG 4.31Å; F185-M189 HydrophobicContact CE2-SD 4.32Å; F185-M189 HydrophobicContact CZ-CG 3.78Å; F185-M189 HydrophobicContact CZ-SD 3.89Å; F185-M189 WeakPolarHBondContact O-CG 3.33Å; F185-M189 PolarHBondContact O-N 3.08Å; M189-K191 PolarHBondContact O-N 3.14Å; M189-R192 WeakPolarHBondContact O-CB 3.45Å; M189-R192 PolarHBondContact O-N 3.45Å; M189-R192 VanDerWaalsContact O-N 3.08Å; M189-E193 WeakPolarHBondContact O-CG 3.48Å; M189-E193 PolarHBondContact O-N 3.09Å |
| 190 | R | 95.3 | Very high | 96 | Very high | 158 Ų | 158 | 115.1 Ų | 115.1 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -30.5 | 176.5 | -161.8 | 178.3 | -148.4 | 132.5 | 6.2 | 113.2 | E186 F187 E188 R194 | E186-R190 WeakPolarHBondContact O-CB 3.41Å; E186-R190 PolarHBondContact O-N 3.03Å; F187-R190 PolarHBondContact O-N 3.43Å; E188-R190 PolarHBondContact O-N 3.34Å; R190-R194 VanDerWaalsContact O-CG 3.3Å; R190-R194 WeakPolarHBondContact O-CG 3.45Å; R190-R194 PolarHBondContact O-N 3.17Å |
| 191 | K | 97.4 | Very high | 96.2 | Very high | 105 Ų | 105 | 114.5 Ų | 114.5 | 46% | 0.457 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -47.1 | 174.2 | -172.8 | -173.7 | 175.3 | -166.3 | 0 | 110.4 | F187 E188 M189 R194 E195 | F187-K191 WeakPolarHBondContact O-CB 3.41Å; F187-K191 PolarHBondContact O-N 3.1Å; E188-K191 WeakPolarHBondContact O-CB 3.48Å; E188-K191 PolarHBondContact O-N 3.24Å; E188-K191 VanDerWaalsContact O-N 3.15Å; M189-K191 PolarHBondContact O-N 3.14Å; K191-R194 PolarHBondContact O-N 2.99Å; K191-E195 WeakPolarHBondContact CE-OE1 3.44Å; K191-E195 WeakPolarHBondContact O-CG 3.41Å; K191-E195 PolarHBondContact O-N 3.4Å |
| 192 | R | 96.1 | Very high | 96.3 | Very high | 134 Ų | 134 | 117.9 Ų | 117.9 | 51% | 0.506 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 175.7 | -70 | 179.3 | -173.7 | 167 | 3.7 | 111.6 | E188 M189 R194 E195 E196 | E188-R192 WeakPolarHBondContact O-CG 3.48Å; E188-R192 PolarHBondContact O-N 3.4Å; M189-R192 WeakPolarHBondContact O-CB 3.45Å; M189-R192 PolarHBondContact O-N 3.45Å; M189-R192 VanDerWaalsContact O-N 3.08Å; R192-R194 VanDerWaalsContact C-N 3.29Å; R192-R194 PolarHBondContact O-N 2.98Å; R192-E195 PolarHBondContact O-N 2.94Å; R192-E196 WeakPolarHBondContact O-CB 3.4Å; R192-E196 WeakPolarHBondContact O-CG 3.45Å; R192-E196 PolarHBondContact O-N 3.37Å |
| 193 | E | 96.2 | Very high | 96.3 | Very high | 113 Ų | 113 | 121.6 Ų | 121.6 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -54.8 | -43.9 | 176.4 | -72.4 | 169.2 | -174.2 | 0 | 0 | 112.3 | M189 A197 | M189-E193 WeakPolarHBondContact O-CG 3.48Å; M189-E193 PolarHBondContact O-N 3.09Å; E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 3.07Å |
| 194 | R | 95.5 | Very high | 96.4 | Very high | 125 Ų | 125 | 121.3 Ų | 121.3 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.4 | -71.6 | 178.6 | -145.2 | 148 | 1.3 | 112 | R190 K191 R192 Q198 | R190-R194 VanDerWaalsContact O-CG 3.3Å; R190-R194 WeakPolarHBondContact O-CG 3.45Å; R190-R194 PolarHBondContact O-N 3.17Å; K191-R194 PolarHBondContact O-N 2.99Å; R192-R194 VanDerWaalsContact C-N 3.29Å; R192-R194 PolarHBondContact O-N 2.98Å; R194-Q198 WeakPolarHBondContact O-CB 3.32Å; R194-Q198 VanDerWaalsContact O-CG 3.3Å; R194-Q198 WeakPolarHBondContact O-CG 3.32Å; R194-Q198 PolarHBondContact O-N 2.96Å |
| 195 | E | 97 | Very high | 96.5 | Very high | 95 Ų | 95 | 120.5 Ų | 120.5 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 179 | -72.2 | 176.8 | -168.6 | 0 | 0 | 111.3 | K191 R192 Q198 R199 | K191-E195 WeakPolarHBondContact CE-OE1 3.44Å; K191-E195 WeakPolarHBondContact O-CG 3.41Å; K191-E195 PolarHBondContact O-N 3.4Å; R192-E195 PolarHBondContact O-N 2.94Å; E195-Q198 PolarHBondContact O-N 3.32Å; E195-R199 WeakPolarHBondContact O-CG 3.38Å; E195-R199 PolarHBondContact O-N 2.95Å |
| 196 | E | 97.5 | Very high | 96.6 | Very high | 119 Ų | 119 | 120.6 Ų | 120.6 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -46.9 | 174.6 | -73.3 | 176.9 | -177 | 0 | 0 | 111.3 | R192 Q198 R199 L200 | R192-E196 WeakPolarHBondContact O-CB 3.4Å; R192-E196 WeakPolarHBondContact O-CG 3.45Å; R192-E196 PolarHBondContact O-N 3.37Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.22Å; E196-R199 PolarHBondContact O-N 3.4Å; E196-R199 VanDerWaalsContact O-N 3.08Å; E196-L200 WeakPolarHBondContact O-CB 3.46Å; E196-L200 WeakPolarHBondContact O-CG 3.47Å; E196-L200 PolarHBondContact O-N 3.38Å |
| 197 | A | 97.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 120 Ų | 120 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E193 L200 Y201 | E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 3.07Å; A197-L200 PolarHBondContact O-N 2.96Å; A197-Y201 WeakPolarHBondContact O-CB 3.27Å; A197-Y201 PolarHBondContact O-N 3.41Å |
| 198 | Q | 97.4 | Very high | 96.7 | Very high | 112 Ų | 112 | 114.7 Ų | 114.7 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 174.4 | -75.1 | -179 | 23.2 | 0 | 0 | 112.3 | R194 E195 E196 Y201 K202 | R194-Q198 WeakPolarHBondContact O-CB 3.32Å; R194-Q198 VanDerWaalsContact O-CG 3.3Å; R194-Q198 WeakPolarHBondContact O-CG 3.32Å; R194-Q198 PolarHBondContact O-N 2.96Å; E195-Q198 PolarHBondContact O-N 3.32Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 3.22Å; Q198-Y201 PolarHBondContact O-N 2.93Å; Q198-K202 WeakPolarHBondContact O-CB 3.35Å; Q198-K202 VanDerWaalsContact O-CG 3.28Å; Q198-K202 WeakPolarHBondContact O-CG 3.46Å; Q198-K202 PolarHBondContact O-N 3.08Å |
| 199 | R | 98.1 | Very high | 96.7 | Very high | 184 Ų | 184 | 116.2 Ų | 116.2 | 69% | 0.694 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -45.5 | 176.7 | -77.9 | -168.2 | 177.3 | -164.6 | 0.6 | 111.1 | E195 E196 K202 K203 | E195-R199 WeakPolarHBondContact O-CG 3.38Å; E195-R199 PolarHBondContact O-N 2.95Å; E196-R199 PolarHBondContact O-N 3.4Å; E196-R199 VanDerWaalsContact O-N 3.08Å; R199-K202 PolarHBondContact O-N 2.92Å; R199-K203 WeakPolarHBondContact O-CB 3.42Å; R199-K203 WeakPolarHBondContact O-CG 3.41Å; R199-K203 PolarHBondContact O-N 2.88Å |
| 200 | L | 97.6 | Very high | 96.7 | Very high | 103 Ų | 103 | 120 Ų | 120 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 176.7 | -69.9 | 174.3 | 0 | 0 | 0 | 111.2 | E196 A197 K202 K203 K204 | E196-L200 WeakPolarHBondContact O-CB 3.46Å; E196-L200 WeakPolarHBondContact O-CG 3.47Å; E196-L200 PolarHBondContact O-N 3.38Å; A197-L200 PolarHBondContact O-N 2.96Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.39Å; L200-K203 PolarHBondContact O-N 3.34Å; L200-K204 WeakPolarHBondContact O-CB 3.38Å; L200-K204 WeakPolarHBondContact O-CG 3.5Å; L200-K204 PolarHBondContact O-N 2.92Å |
| 201 | Y | 97.2 | Very high | 96.7 | Very high | 150 Ų | 150 | 114.5 Ų | 114.5 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.7 | -46.9 | 175.4 | 173.3 | -99.3 | 0 | 0 | 0 | 111.9 | A197 Q198 K204 K205 | A197-Y201 WeakPolarHBondContact O-CB 3.27Å; A197-Y201 PolarHBondContact O-N 3.41Å; Q198-Y201 PolarHBondContact O-N 2.93Å; Y201-K204 PolarHBondContact O-N 2.88Å; Y201-K205 HydrophobicContact CE1-CD 4.27Å; Y201-K205 VanDerWaalsContact O-CB 3.26Å; Y201-K205 WeakPolarHBondContact O-CB 3.47Å; Y201-K205 PolarHBondContact O-N 3.05Å |
| 202 | K | 97.8 | Very high | 96.5 | Very high | 129 Ų | 129 | 113 Ų | 113 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 177.7 | -74.1 | 174.8 | -177.8 | 178.6 | 0 | 111.7 | Q198 R199 L200 K205 M206 | Q198-K202 WeakPolarHBondContact O-CB 3.35Å; Q198-K202 VanDerWaalsContact O-CG 3.28Å; Q198-K202 WeakPolarHBondContact O-CG 3.46Å; Q198-K202 PolarHBondContact O-N 3.08Å; R199-K202 PolarHBondContact O-N 2.92Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.39Å; K202-K205 PolarHBondContact O-N 2.82Å; K202-M206 VanDerWaalsContact O-CG 3.28Å; K202-M206 WeakPolarHBondContact O-CG 3.29Å; K202-M206 PolarHBondContact O-N 3.38Å |
| 203 | K | 97.3 | Very high | 96.4 | Very high | 126 Ų | 126 | 109 Ų | 109 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -54.5 | 176.3 | -75.5 | 179.8 | 177.8 | -172 | 0 | 111.1 | R199 L200 K205 M206 E207 | R199-K203 WeakPolarHBondContact O-CB 3.42Å; R199-K203 WeakPolarHBondContact O-CG 3.41Å; R199-K203 PolarHBondContact O-N 2.88Å; L200-K203 PolarHBondContact O-N 3.34Å; K203-K205 VanDerWaalsContact C-N 3.26Å; K203-K205 PolarHBondContact O-N 3.24Å; K203-M206 PolarHBondContact O-N 3.3Å; K203-E207 WeakPolarHBondContact O-CG 3.44Å; K203-E207 PolarHBondContact O-N 2.87Å |
| 204 | K | 96.1 | Very high | 96.4 | Very high | 142 Ų | 142 | 108.2 Ų | 108.2 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56 | -41.1 | 176.9 | -72.1 | -171.6 | 175.3 | -165.7 | 0 | 112.2 | L200 Y201 E207 A208 | L200-K204 WeakPolarHBondContact O-CB 3.38Å; L200-K204 WeakPolarHBondContact O-CG 3.5Å; L200-K204 PolarHBondContact O-N 2.92Å; Y201-K204 PolarHBondContact O-N 2.88Å; K204-E207 PolarHBondContact O-N 3.47Å; K204-A208 WeakPolarHBondContact O-CB 3.27Å; K204-A208 PolarHBondContact O-N 3.23Å |
| 205 | K | 97.5 | Very high | 96.4 | Very high | 128 Ų | 128 | 109.3 Ų | 109.3 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 176.1 | -175.8 | -179.1 | -179.8 | 179.6 | 0 | 112 | Y201 K202 K203 F209 | Y201-K205 HydrophobicContact CE1-CD 4.27Å; Y201-K205 VanDerWaalsContact O-CB 3.26Å; Y201-K205 WeakPolarHBondContact O-CB 3.47Å; Y201-K205 PolarHBondContact O-N 3.05Å; K202-K205 PolarHBondContact O-N 2.82Å; K203-K205 VanDerWaalsContact C-N 3.26Å; K203-K205 PolarHBondContact O-N 3.24Å; K205-F209 VanDerWaalsContact O-CB 3.3Å; K205-F209 WeakPolarHBondContact O-CB 3.39Å; K205-F209 PolarHBondContact O-N 3.08Å |
| 206 | M | 96.6 | Very high | 96.3 | Very high | 124 Ų | 124 | 107.4 Ų | 107.4 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.7 | -40 | 178.3 | -70.3 | -56.9 | -63.5 | 0 | 0 | 112 | K202 K203 F209 K210 | K202-M206 VanDerWaalsContact O-CG 3.28Å; K202-M206 WeakPolarHBondContact O-CG 3.29Å; K202-M206 PolarHBondContact O-N 3.38Å; K203-M206 PolarHBondContact O-N 3.3Å; M206-F209 PolarHBondContact O-N 3Å; M206-K210 WeakPolarHBondContact O-CB 3.26Å; M206-K210 PolarHBondContact O-N 2.8Å |
| 207 | E | 94.9 | Very high | 96.1 | Very high | 119 Ų | 119 | 114.3 Ų | 114.3 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -49.7 | 176 | -72.6 | 163.9 | -171.6 | 0 | 0 | 111.3 | K203 K204 F209 K210 V211 | K203-E207 WeakPolarHBondContact O-CG 3.44Å; K203-E207 PolarHBondContact O-N 2.87Å; K204-E207 PolarHBondContact O-N 3.47Å; E207-F209 VanDerWaalsContact C-N 3.32Å; E207-F209 PolarHBondContact O-N 3.37Å; E207-K210 WeakPolarHBondContact O-CB 3.36Å; E207-K210 PolarHBondContact O-N 2.79Å; E207-K210 VanDerWaalsContact O-N 3.09Å; E207-V211 PolarHBondContact O-N 2.66Å |
| 208 | A | 95.6 | Very high | 96 | Very high | 16 Ų | 16 | 120.4 Ų | 120.4 | 13% | 0.132 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K204 K210 V211 L212 Y229 | K204-A208 WeakPolarHBondContact O-CB 3.27Å; K204-A208 PolarHBondContact O-N 3.23Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.04Å; A208-V211 PolarHBondContact O-N 3.32Å; A208-L212 WeakPolarHBondContact O-CB 3.32Å; A208-L212 VanDerWaalsContact O-CG 3.25Å; A208-L212 WeakPolarHBondContact O-CG 3.46Å; A208-L212 PolarHBondContact O-N 2.96Å; A208-Y229 HydrophobicContact CB-CE2 4.13Å |
| 209 | F | 96.6 | Very high | 95.9 | Very high | 133 Ų | 133 | 117.1 Ų | 117.1 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 175.2 | -179 | -99.1 | 0 | 0 | 0 | 111.7 | K205 M206 E207 V211 L212 S213 | K205-F209 VanDerWaalsContact O-CB 3.3Å; K205-F209 WeakPolarHBondContact O-CB 3.39Å; K205-F209 PolarHBondContact O-N 3.08Å; M206-F209 PolarHBondContact O-N 3Å; E207-F209 VanDerWaalsContact C-N 3.32Å; E207-F209 PolarHBondContact O-N 3.37Å; F209-V211 VanDerWaalsContact C-N 3.31Å; F209-V211 PolarHBondContact O-N 2.79Å; F209-L212 PolarHBondContact O-N 3.31Å; F209-S213 WeakPolarHBondContact O-CB 3.49Å; F209-S213 PolarHBondContact O-N 2.71Å; F209-S213 PolarHBondContact O-OG 2.84Å |
| 210 | K | 96.3 | Very high | 95.7 | Very high | 147 Ų | 147 | 114.2 Ų | 114.2 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -36.9 | 178.6 | -174.9 | -179.8 | -178 | -178.5 | 0 | 112.2 | M206 E207 A208 K214 | M206-K210 WeakPolarHBondContact O-CB 3.26Å; M206-K210 PolarHBondContact O-N 2.8Å; E207-K210 WeakPolarHBondContact O-CB 3.36Å; E207-K210 PolarHBondContact O-N 2.79Å; E207-K210 VanDerWaalsContact O-N 3.09Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.04Å; K210-K214 WeakPolarHBondContact O-CG 3.45Å |
| 211 | V | 94.5 | Very high | 95.7 | Very high | 43 Ų | 43 | 112.7 Ų | 112.7 | 26% | 0.261 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.2 | -49.8 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | E207 A208 F209 S213 K214 L225 | E207-V211 PolarHBondContact O-N 2.66Å; A208-V211 PolarHBondContact O-N 3.32Å; F209-V211 VanDerWaalsContact C-N 3.31Å; F209-V211 PolarHBondContact O-N 2.79Å; V211-S213 PolarHBondContact O-N 2.98Å; V211-K214 PolarHBondContact O-N 3.07Å; V211-L225 HydrophobicContact CG1-CB 4.15Å; V211-L225 WeakPolarHBondContact CG1-O 3.17Å |
| 212 | L | 93.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 107.9 Ų | 107.9 | 39% | 0.387 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.5 | -26.7 | -173.7 | -64.4 | 176.1 | 0 | 0 | 0 | 114.1 | A208 F209 Q226 Y229 | A208-L212 WeakPolarHBondContact O-CB 3.32Å; A208-L212 VanDerWaalsContact O-CG 3.25Å; A208-L212 WeakPolarHBondContact O-CG 3.46Å; A208-L212 PolarHBondContact O-N 2.96Å; F209-L212 PolarHBondContact O-N 3.31Å; L212-Q226 HydrophobicContact CD2-CB 4.18Å; L212-Q226 HydrophobicContact CD2-CG 3.77Å; L212-Q226 PolarHBondContact O-NE2 3.37Å; L212-Y229 HydrophobicContact CD1-CE1 4.36Å; L212-Y229 HydrophobicContact CD2-CD1 4.04Å; L212-Y229 HydrophobicContact CG-CD1 4.46Å |
| 213 | S | 94.2 | Very high | 95.5 | Very high | 51 Ų | 51 | 107.4 Ų | 107.4 | 36% | 0.357 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -7.4 | -179.6 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | F209 V211 K215 | F209-S213 WeakPolarHBondContact O-CB 3.49Å; F209-S213 PolarHBondContact O-N 2.71Å; F209-S213 PolarHBondContact O-OG 2.84Å; V211-S213 PolarHBondContact O-N 2.98Å; S213-K215 PolarHBondContact O-N 3Å |
| 214 | K | 95.3 | Very high | 95.4 | Very high | 95 Ų | 95 | 106.4 Ų | 106.4 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | trans | -65.4 | 133.3 | 177.8 | -79.9 | 169.8 | -179.7 | -174.1 | 0 | 110.7 | K210 V211 N222 L225 | K210-K214 WeakPolarHBondContact O-CG 3.45Å; V211-K214 PolarHBondContact O-N 3.07Å; K214-N222 PolarHBondContact O-N 2.76Å; K214-N222 VanDerWaalsContact O-N 3.13Å; K214-L225 HydrophobicContact CB-CD1 4.02Å; K214-L225 HydrophobicContact CD-CD1 3.36Å; K214-L225 HydrophobicContact CG-CD1 4.34Å | ||
| 215 | K | 96.4 | Very high | 95.3 | Very high | 149 Ų | 149 | 101.4 Ų | 101.4 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | B | Isolated β-bridge | trans | -122.1 | 153.1 | 179.8 | -68 | 173.3 | 174.9 | -170.5 | 0 | 110.7 | S213 G219 Q220 | S213-K215 PolarHBondContact O-N 3Å; K215-G219 WeakPolarHBondContact CD-O 3.46Å; K215-Q220 CarbonylContact C-O 3.43Å; K215-Q220 WeakPolarHBondContact CA-O 3.42Å; K215-Q220 WeakPolarHBondContact CB-O 3.12Å |
| 216 | T | 94.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 34% | 0.337 | 48% | 0.482 | S | S | . | . | trans | -72 | 169.8 | 171.6 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | K218 G219 Q220 | T216-K218 PolarHBondContact O-N 3.03Å; T216-G219 PolarHBondContact O-N 3.44Å; T216-Q220 PolarHBondContact N-O 2.8Å; T216-Q220 PolarHBondContact OG1-N 3.36Å; T216-Q220 PolarHBondContact OG1-O 2.95Å | ||
| 217 | R | 94.1 | Very high | 95.1 | Very high | 264 Ų | 264 | 97.4 Ų | 97.4 | 100% | 0.996 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.6 | 176.3 | -68 | -174 | 177.6 | -175.9 | -0.7 | 113.2 | G219 | R217-G219 VanDerWaalsContact C-N 3.31Š|
| 218 | K | 95.3 | Very high | 95.1 | Very high | 185 Ų | 185 | 97.2 Ų | 97.2 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 4.5 | 176.5 | -61.3 | -173.9 | 177.6 | -177.6 | 0 | 113.6 | T216 Q220 | T216-K218 PolarHBondContact O-N 3.03Å; K218-Q220 VanDerWaalsContact C-N 3.3Å; K218-Q220 PolarHBondContact O-N 3.14Å |
| 219 | G | 94.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 99.9 Ų | 99.9 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | S | Bend | trans | 80.4 | 1.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K215 T216 R217 | K215-G219 WeakPolarHBondContact CD-O 3.46Å; T216-G219 PolarHBondContact O-N 3.44Å; R217-G219 VanDerWaalsContact C-N 3.31Å |
| 220 | Q | 94.8 | Very high | 95.1 | Very high | 124 Ų | 124 | 98.4 Ų | 98.4 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | trans | -77.5 | 149.2 | 177.3 | -66 | 176.4 | -26 | 0 | 0 | 110.9 | K215 T216 K218 | K215-Q220 CarbonylContact C-O 3.43Å; K215-Q220 WeakPolarHBondContact CA-O 3.42Å; K215-Q220 WeakPolarHBondContact CB-O 3.12Å; T216-Q220 PolarHBondContact N-O 2.8Å; T216-Q220 PolarHBondContact OG1-N 3.36Å; T216-Q220 PolarHBondContact OG1-O 2.95Å; K218-Q220 VanDerWaalsContact C-N 3.3Å; K218-Q220 PolarHBondContact O-N 3.14Å | ||
| 221 | P | 96.5 | Very high | 95.1 | Very high | 70 Ų | 70 | 95.9 Ų | 95.9 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 141.5 | 175.2 | 26.7 | -34.4 | 0 | 0 | 0 | 111.3 | L223 | P221-L223 PolarHBondContact O-N 3.07Å |
| 222 | N | 95.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 98.7 Ų | 98.7 | 27% | 0.267 | 49% | 0.485 | S | S | . | . | trans | -83.1 | 96.9 | 176.1 | -171.1 | -27.1 | 0 | 0 | 0 | 110.5 | K214 N224 L225 Q226 | K214-N222 PolarHBondContact O-N 2.76Å; K214-N222 VanDerWaalsContact O-N 3.13Å; N222-N224 VanDerWaalsContact C-N 3.33Å; N222-N224 PolarHBondContact O-N 2.86Å; N222-N224 PolarHBondContact OD1-N 3.01Å; N222-L225 HydrophobicContact CB-CD1 4.14Å; N222-L225 HydrophobicContact CB-CG 4.43Å; N222-L225 PolarHBondContact O-N 3.16Å; N222-Q226 WeakPolarHBondContact O-CG 3.31Å; N222-Q226 PolarHBondContact O-N 3.32Å | ||
| 223 | L | 94.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.6 | -35.5 | -175.5 | -71.6 | 170.4 | 0 | 0 | 0 | 113.7 | P221 L225 Q226 M227 | P221-L223 PolarHBondContact O-N 3.07Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 2.98Å; L223-Q226 PolarHBondContact O-N 3.25Å; L223-M227 WeakPolarHBondContact O-CB 3.25Å; L223-M227 PolarHBondContact O-N 3.42Å |
| 224 | N | 95 | Very high | 95.3 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | -178.4 | -64.8 | -9.1 | 0 | 0 | 0 | 111.1 | N222 Q226 M227 E228 | N222-N224 VanDerWaalsContact C-N 3.33Å; N222-N224 PolarHBondContact O-N 2.86Å; N222-N224 PolarHBondContact OD1-N 3.01Å; N224-Q226 VanDerWaalsContact C-N 3.34Å; N224-Q226 PolarHBondContact O-N 2.9Å; N224-M227 PolarHBondContact O-N 2.86Å; N224-E228 WeakPolarHBondContact O-CG 3.42Å; N224-E228 PolarHBondContact O-N 3.42Å |
| 225 | L | 95.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 104.5 Ų | 104.5 | 19% | 0.188 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.3 | -33.5 | 177.8 | -64 | 178.5 | 0 | 0 | 0 | 112.8 | V211 K214 N222 L223 Y229 | V211-L225 HydrophobicContact CG1-CB 4.15Å; V211-L225 WeakPolarHBondContact CG1-O 3.17Å; K214-L225 HydrophobicContact CB-CD1 4.02Å; K214-L225 HydrophobicContact CD-CD1 3.36Å; K214-L225 HydrophobicContact CG-CD1 4.34Å; N222-L225 HydrophobicContact CB-CD1 4.14Å; N222-L225 HydrophobicContact CB-CG 4.43Å; N222-L225 PolarHBondContact O-N 3.16Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 2.98Å; L225-Y229 PolarHBondContact O-N 3.41Å; L225-Y229 VanDerWaalsContact O-N 3.16Å |
| 226 | Q | 94.7 | Very high | 95.2 | Very high | 60 Ų | 60 | 103.7 Ų | 103.7 | 28% | 0.28 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -38 | 175.3 | -63.6 | -174.6 | -10.5 | 0 | 0 | 111.4 | L212 N222 L223 N224 Y229 L230 | L212-Q226 HydrophobicContact CD2-CB 4.18Å; L212-Q226 HydrophobicContact CD2-CG 3.77Å; L212-Q226 PolarHBondContact O-NE2 3.37Å; N222-Q226 WeakPolarHBondContact O-CG 3.31Å; N222-Q226 PolarHBondContact O-N 3.32Å; L223-Q226 PolarHBondContact O-N 3.25Å; N224-Q226 VanDerWaalsContact C-N 3.34Å; N224-Q226 PolarHBondContact O-N 2.9Å; Q226-Y229 PolarHBondContact O-N 3.04Å; Q226-L230 WeakPolarHBondContact O-CB 3.22Å; Q226-L230 PolarHBondContact O-N 2.64Å |
| 227 | M | 95.4 | Very high | 94.9 | Very high | 108 Ų | 108 | 106.2 Ų | 106.2 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 176 | -176.4 | 168.5 | 57.6 | 0 | 0 | 111.4 | L223 N224 Y229 L230 L231 | L223-M227 WeakPolarHBondContact O-CB 3.25Å; L223-M227 PolarHBondContact O-N 3.42Å; N224-M227 PolarHBondContact O-N 2.86Å; M227-Y229 PolarHBondContact O-N 3.48Å; M227-L230 PolarHBondContact O-N 2.83Å; M227-L230 VanDerWaalsContact O-N 3.16Å; M227-L231 HydrophobicContact CG-CD1 4.28Å; M227-L231 HydrophobicContact CG-CG 4.5Å; M227-L231 WeakPolarHBondContact O-CG 3.29Å; M227-L231 PolarHBondContact O-N 3.46Å |
| 228 | E | 95.2 | Very high | 94.1 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 173.9 | -74.7 | 170.3 | -171.3 | 0 | 0 | 111.9 | N224 L230 L231 Q232 | N224-E228 WeakPolarHBondContact O-CG 3.42Å; N224-E228 PolarHBondContact O-N 3.42Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3.42Å; E228-L231 PolarHBondContact O-N 3.04Å; E228-Q232 WeakPolarHBondContact O-CB 3.39Å; E228-Q232 PolarHBondContact O-N 3.44Å |
| 229 | Y | 95.8 | Very high | 94 | Very high | 72 Ų | 72 | 96.3 Ų | 96.3 | 28% | 0.282 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.6 | 177.2 | -105.1 | 0 | 0 | 0 | 112.5 | A208 L212 L225 Q226 M227 K233 | A208-Y229 HydrophobicContact CB-CE2 4.13Å; L212-Y229 HydrophobicContact CD1-CE1 4.36Å; L212-Y229 HydrophobicContact CD2-CD1 4.04Å; L212-Y229 HydrophobicContact CG-CD1 4.46Å; L225-Y229 PolarHBondContact O-N 3.41Å; L225-Y229 VanDerWaalsContact O-N 3.16Å; Q226-Y229 PolarHBondContact O-N 3.04Å; M227-Y229 PolarHBondContact O-N 3.48Å; Y229-K233 WeakPolarHBondContact O-CB 3.49Å; Y229-K233 PolarHBondContact O-N 3.36Å |
| 230 | L | 95.3 | Very high | 94 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 177.9 | -173 | 69.4 | 0 | 0 | 0 | 111.6 | Q226 M227 E228 K233 I234 | Q226-L230 WeakPolarHBondContact O-CB 3.22Å; Q226-L230 PolarHBondContact O-N 2.64Å; M227-L230 PolarHBondContact O-N 2.83Å; M227-L230 VanDerWaalsContact O-N 3.16Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3.42Å; L230-K233 WeakPolarHBondContact O-CB 3.35Å; L230-K233 PolarHBondContact O-N 3.47Å; L230-I234 HydrophobicContact CG-CD1 4.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.43Å; L230-I234 PolarHBondContact O-N 2.88Å |
| 231 | L | 96.1 | Very high | 94 | Very high | 95 Ų | 95 | 97.8 Ų | 97.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 176.6 | -72.3 | 176.6 | 0 | 0 | 0 | 111.3 | M227 E228 K233 I234 Q235 | M227-L231 HydrophobicContact CG-CD1 4.28Å; M227-L231 HydrophobicContact CG-CG 4.5Å; M227-L231 WeakPolarHBondContact O-CG 3.29Å; M227-L231 PolarHBondContact O-N 3.46Å; E228-L231 PolarHBondContact O-N 3.04Å; L231-K233 VanDerWaalsContact C-N 3.29Å; L231-K233 PolarHBondContact O-N 3.09Å; L231-I234 PolarHBondContact O-N 2.93Å; L231-Q235 WeakPolarHBondContact O-CG 3.35Å; L231-Q235 PolarHBondContact O-N 3.37Å |
| 232 | Q | 95.8 | Very high | 93.8 | Very high | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 174.2 | -178.9 | 179.4 | -3.3 | 0 | 0 | 111.1 | E228 I234 Q235 E236 | E228-Q232 WeakPolarHBondContact O-CB 3.39Å; E228-Q232 PolarHBondContact O-N 3.44Å; Q232-I234 VanDerWaalsContact C-N 3.34Å; Q232-I234 PolarHBondContact O-N 3.44Å; Q232-Q235 PolarHBondContact O-N 3.41Å; Q232-E236 HydrophobicContact CG-CG 4.49Å; Q232-E236 WeakPolarHBondContact CG-OE1 3.36Å; Q232-E236 PolarHBondContact NE2-OE1 3.04Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3Å |
| 233 | K | 95.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 102.5 Ų | 102.5 | 47% | 0.47 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 179.4 | -168.6 | 174.8 | -177.9 | -178.8 | 0 | 112.7 | Y229 L230 L231 T237 | Y229-K233 WeakPolarHBondContact O-CB 3.49Å; Y229-K233 PolarHBondContact O-N 3.36Å; L230-K233 WeakPolarHBondContact O-CB 3.35Å; L230-K233 PolarHBondContact O-N 3.47Å; L231-K233 VanDerWaalsContact C-N 3.29Å; L231-K233 PolarHBondContact O-N 3.09Å; K233-T237 VanDerWaalsContact O-CG2 3.28Å; K233-T237 WeakPolarHBondContact O-CG2 3.35Å; K233-T237 PolarHBondContact O-N 2.8Å; K233-T237 PolarHBondContact O-OG1 2.89Å |
| 234 | I | 95.8 | Very high | 93.6 | Very high | 90 Ų | 90 | 101.4 Ų | 101.4 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 175.8 | -68.6 | 165.3 | 0 | 0 | 0 | 109.9 | L230 L231 Q232 E236 T237 S238 | L230-I234 HydrophobicContact CG-CD1 4.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.43Å; L230-I234 PolarHBondContact O-N 2.88Å; L231-I234 PolarHBondContact O-N 2.93Å; Q232-I234 VanDerWaalsContact C-N 3.34Å; Q232-I234 PolarHBondContact O-N 3.44Å; I234-E236 PolarHBondContact O-N 2.79Å; I234-T237 WeakPolarHBondContact CA-OG1 3.36Å; I234-T237 PolarHBondContact O-N 3.26Å; I234-T237 PolarHBondContact O-OG1 2.89Å; I234-S238 PolarHBondContact O-N 3.17Å; I234-S238 PolarHBondContact O-OG 3.23Å |
| 235 | Q | 95.6 | Very high | 93.6 | Very high | 143 Ų | 143 | 101.1 Ų | 101.1 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 177.2 | -71 | 174.9 | -12.8 | 0 | 0 | 112.5 | L231 Q232 T237 S238 | L231-Q235 WeakPolarHBondContact O-CG 3.35Å; L231-Q235 PolarHBondContact O-N 3.37Å; Q232-Q235 PolarHBondContact O-N 3.41Å; Q235-T237 VanDerWaalsContact C-N 3.25Å; Q235-T237 PolarHBondContact O-N 3.32Å; Q235-S238 PolarHBondContact O-N 3.15Å |
| 236 | E | 93 | Very high | 93.4 | Very high | 132 Ų | 132 | 106.2 Ų | 106.2 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.7 | -24.2 | 176.7 | -73 | 175.3 | -167.9 | 0 | 0 | 113.3 | Q232 I234 | Q232-E236 HydrophobicContact CG-CG 4.49Å; Q232-E236 WeakPolarHBondContact CG-OE1 3.36Å; Q232-E236 PolarHBondContact NE2-OE1 3.04Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3Å; I234-E236 PolarHBondContact O-N 2.79Å |
| 237 | T | 89.3 | Confident | 93.3 | Very high | 109 Ų | 109 | 110 Ų | 110 | 67% | 0.669 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -94.8 | -11.5 | 179.1 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | K233 I234 Q235 | K233-T237 VanDerWaalsContact O-CG2 3.28Å; K233-T237 WeakPolarHBondContact O-CG2 3.35Å; K233-T237 PolarHBondContact O-N 2.8Å; K233-T237 PolarHBondContact O-OG1 2.89Å; I234-T237 WeakPolarHBondContact CA-OG1 3.36Å; I234-T237 PolarHBondContact O-N 3.26Å; I234-T237 PolarHBondContact O-OG1 2.89Å; Q235-T237 VanDerWaalsContact C-N 3.25Å; Q235-T237 PolarHBondContact O-N 3.32Å |
| 238 | S | 77.1 | Confident | 93.1 | Very high | 144 Ų | 144 | 110.2 Ų | 110.2 | 100% | 1.007 | 57% | 0.565 | S | S | * | * | trans | -87.3 | 0 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | I234 Q235 | I234-S238 PolarHBondContact O-N 3.17Å; I234-S238 PolarHBondContact O-OG 3.23Å; Q235-S238 PolarHBondContact O-N 3.15Å |
Retrieved 238 of 238 residues in 32.9 ms
(Link to these results)