| 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 | 41.6 | Very low | 53.3 | Low | 244 Ų | 244 | 131 Ų | 131 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | 0 | 98.2 | 0 | -70.9 | 165.1 | 178.3 | 0 | 0 | 107.1 | |||||
| 2 | V | 46.3 | Very low | 53.8 | Low | 148 Ų | 148 | 135.2 Ų | 135.2 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | -113.6 | 115.7 | -180 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | G4 | V2-G4 PolarHBondContact O-N 2.91Š| ||
| 3 | A | 51.2 | Low | 54.4 | Low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -74.1 | 107.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | G | 46.8 | Very low | 54.9 | Low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 128.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V2 | V2-G4 PolarHBondContact O-N 2.91Š|
| 5 | W | 58.1 | Low | 54.7 | Low | 242 Ų | 242 | 130.6 Ų | 130.6 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.6 | 170.9 | -69.5 | 20.7 | 0 | 0 | 0 | 109.2 | A7 | W5-A7 PolarHBondContact O-N 3.22Š|
| 6 | P | 57.6 | Low | 54.5 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.1 | 175.9 | 28.8 | -30.3 | 0 | 0 | 0 | 110 | A8 | P6-A8 PolarHBondContact O-N 3.26Š|
| 7 | A | 53.2 | Low | 54.3 | Low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W5 | W5-A7 PolarHBondContact O-N 3.22Š|
| 8 | A | 56.7 | Low | 54.3 | Low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 137.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | P6 | P6-A8 PolarHBondContact O-N 3.26Š|
| 9 | P | 64.9 | Low | 53.8 | Low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 150.6 | 175.8 | 28.1 | -33.3 | 0 | 0 | 0 | 111.1 | A11 | P9-A11 PolarHBondContact O-N 3.41Š|
| 10 | P | 57.2 | Low | 53.4 | Low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.5 | 178.7 | 25.7 | -32.9 | 0 | 0 | 0 | 110.5 | M12 | P10-M12 PolarHBondContact O-N 3.24Š|
| 11 | A | 53.3 | Low | 53.1 | Low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -59.5 | 110 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P9 M13 | P9-A11 PolarHBondContact O-N 3.41Å; A11-M13 PolarHBondContact O-N 2.91Å | ||
| 12 | M | 58.7 | Low | 53.6 | Low | 181 Ų | 181 | 127 Ų | 127 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | trans | -68.2 | 115.3 | 170.3 | -66.1 | 179.4 | 70.6 | 0 | 0 | 108.1 | P10 | P10-M12 PolarHBondContact O-N 3.24Š| ||
| 13 | M | 62.2 | Low | 53.6 | Low | 168 Ų | 168 | 126.2 Ų | 126.2 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 129.5 | 174.2 | -67.1 | -66.6 | -74 | 0 | 0 | 109.4 | A11 G15 | A11-M13 PolarHBondContact O-N 2.91Å; M13-G15 PolarHBondContact O-N 3.45Å; M13-G15 VanDerWaalsContact O-N 3.15Å |
| 14 | P | 60.6 | Low | 53.7 | Low | 101 Ų | 101 | 127.3 Ų | 127.3 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.7 | 172.2 | 24.5 | -29.4 | 0 | 0 | 0 | 108.4 | ||
| 15 | G | 52.7 | Low | 53.7 | Low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 140.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M13 I17 | M13-G15 PolarHBondContact O-N 3.45Å; M13-G15 VanDerWaalsContact O-N 3.15Å; G15-I17 PolarHBondContact O-N 2.96Å |
| 16 | Q | 51.4 | Low | 53.3 | Low | 190 Ų | 190 | 121.1 Ų | 121.1 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 121.6 | 172 | -156.2 | 107.3 | -10 | 0 | 0 | 109.3 | ||
| 17 | I | 50.3 | Low | 52.8 | Low | 147 Ų | 147 | 123 Ų | 123 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 122.8 | 166.5 | -59.9 | 171.6 | 0 | 0 | 0 | 105.6 | G15 | G15-I17 PolarHBondContact O-N 2.96Š|
| 18 | P | 54.3 | Low | 52.7 | Low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 134.8 | 174.1 | 27.8 | -30.7 | 0 | 0 | 0 | 109.4 | ||
| 19 | D | 45.1 | Very low | 52.2 | Low | 148 Ų | 148 | 123.2 Ų | 123.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 140.2 | 178.4 | -67.5 | -47.7 | 0 | 0 | 0 | 111.4 | S21 | D19-S21 PolarHBondContact O-N 3.4Š|
| 20 | P | 46.2 | Very low | 51.5 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -75.7 | 96.4 | 174.2 | 30.8 | -32.2 | 0 | 0 | 0 | 109.8 | V22 | P20-V22 PolarHBondContact O-N 3.35Š| ||
| 21 | S | 47.2 | Very low | 51.4 | Low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -75 | 80.3 | 163.3 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | D19 T23 | D19-S21 PolarHBondContact O-N 3.4Å; S21-T23 PolarHBondContact O-N 3.28Å | ||
| 22 | V | 52.6 | Low | 51.5 | Low | 130 Ų | 130 | 123.9 Ų | 123.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -83 | 94.1 | 166.3 | -75.7 | 0 | 0 | 0 | 0 | 108.8 | P20 A24 | P20-V22 PolarHBondContact O-N 3.35Å; V22-A24 PolarHBondContact O-N 3.49Å | ||
| 23 | T | 46.2 | Very low | 50.9 | Low | 133 Ų | 133 | 123.2 Ų | 123.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -57.6 | 116.7 | 164.5 | -21.5 | 0 | 0 | 0 | 0 | 108.2 | S21 G25 | S21-T23 PolarHBondContact O-N 3.28Å; T23-G25 PolarHBondContact O-N 2.95Å | ||
| 24 | A | 53 | Low | 50.4 | Low | 111 Ų | 111 | 121.5 Ų | 121.5 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 97.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | V22 | V22-A24 PolarHBondContact O-N 3.49Š| ||
| 25 | G | 46.2 | Very low | 50 | Low | 62 Ų | 62 | 119.9 Ų | 119.9 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | -149.6 | 104.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T23 | T23-G25 PolarHBondContact O-N 2.95Š| ||
| 26 | S | 49.4 | Very low | 49.6 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 47.3 | 97.1 | 156.1 | -63 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 27 | L | 48.7 | Very low | 49.2 | Very low | 167 Ų | 167 | 121 Ų | 121 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136.9 | 150.2 | -73.6 | 163.2 | 0 | 0 | 0 | 109.5 | G29 | L27-G29 PolarHBondContact O-N 3.36Š|
| 28 | P | 49.6 | Very low | 49.1 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 123.4 | 166.3 | 21.2 | -18.4 | 0 | 0 | 0 | 108.6 | L30 | P28-L30 PolarHBondContact O-N 3.06Š|
| 29 | G | 45.8 | Very low | 48.7 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 119.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L27 G31 | L27-G29 PolarHBondContact O-N 3.36Å; G29-G31 PolarHBondContact O-N 3.18Å |
| 30 | L | 50.7 | Low | 49 | Very low | 176 Ų | 176 | 117.2 Ų | 117.2 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -79.2 | 109.7 | 156.1 | -70.2 | 170.8 | 0 | 0 | 0 | 106.6 | P28 | P28-L30 PolarHBondContact O-N 3.06Š| ||
| 31 | G | 54.9 | Low | 48.8 | Very low | 47 Ų | 47 | 118.6 Ų | 118.6 | 49% | 0.485 | 79% | 0.788 | S | S | . | * | trans | -60.7 | 161.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G29 L33 | G29-G31 PolarHBondContact O-N 3.18Å; G31-L33 WeakPolarHBondContact O-CD2 3.35Å; G31-L33 PolarHBondContact O-N 2.69Å; G31-L33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | P | 55.9 | Low | 48.8 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -73.6 | 108.4 | 179.6 | -5.1 | 21.9 | 0 | 0 | 0 | 109.4 | T34 | P32-T34 PolarHBondContact O-N 3.14Š| ||
| 33 | L | 46.6 | Very low | 48.8 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -81.9 | 76.2 | 166.4 | -79.6 | -74.8 | 0 | 0 | 0 | 107.3 | G31 G35 | G31-L33 WeakPolarHBondContact O-CD2 3.35Å; G31-L33 PolarHBondContact O-N 2.69Å; G31-L33 VanDerWaalsContact O-N 3.14Å; L33-G35 PolarHBondContact O-N 3.33Å | ||
| 34 | T | 50.9 | Low | 49.1 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -69.4 | 111.3 | 163.6 | 46.3 | 0 | 0 | 0 | 0 | 108.3 | P32 | P32-T34 PolarHBondContact O-N 3.14Š| ||
| 35 | G | 52.1 | Low | 48.9 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | 157.2 | 49.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L33 | L33-G35 PolarHBondContact O-N 3.33Š| ||
| 36 | L | 44.1 | Very low | 49.3 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -136.4 | 123.1 | 158.9 | -70.6 | 173.5 | 0 | 0 | 0 | 108.7 | S38 | L36-S38 PolarHBondContact O-N 2.86Š| ||
| 37 | P | 44 | Very low | 49.7 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -65.5 | 129.1 | 178 | 25.9 | -31.5 | 0 | 0 | 0 | 110 | S39 | P37-S39 PolarHBondContact O-N 2.98Å; P37-S39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | S | 47.2 | Very low | 50.1 | Low | 134 Ų | 134 | 132.5 Ų | 132.5 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | trans | -66.4 | 100.8 | 165.2 | -77.9 | 0 | 0 | 0 | 0 | 109.1 | L36 | L36-S38 PolarHBondContact O-N 2.86Š| ||
| 39 | S | 46.2 | Very low | 50 | Low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -122.4 | 115.6 | 156.2 | 51 | 0 | 0 | 0 | 0 | 108 | P37 | P37-S39 PolarHBondContact O-N 2.98Å; P37-S39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | A | 52 | Low | 50.3 | Low | 93 Ų | 93 | 130.8 Ų | 130.8 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -51.3 | 131.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 41 | L | 42.7 | Very low | 50.6 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -117.1 | 111.7 | 152.7 | -67.9 | 177.2 | 0 | 0 | 0 | 106.5 | ||||
| 42 | T | 46.9 | Very low | 50.7 | Low | 99 Ų | 99 | 136.4 Ų | 136.4 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | trans | -55.4 | 142.3 | 174.2 | 42.3 | 0 | 0 | 0 | 0 | 109.9 | E44 E45 | T42-E44 PolarHBondContact O-N 3.45Å; T42-E45 PolarHBondContact O-N 3.27Å | ||
| 43 | V | 52.4 | Low | 50.6 | Low | 139 Ų | 139 | 136.3 Ų | 136.3 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -3.8 | -177.4 | 178.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 44 | E | 51.3 | Low | 50.9 | Low | 171 Ų | 171 | 134.2 Ų | 134.2 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -14.6 | -177 | -72.9 | -161.9 | 136.4 | 0 | 0 | 116.2 | T42 | T42-E44 PolarHBondContact O-N 3.45Š|
| 45 | E | 50.4 | Low | 50.9 | Low | 143 Ų | 143 | 130.4 Ų | 130.4 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -88.6 | -8.1 | 179.6 | -66.1 | -167.1 | 146.7 | 0 | 0 | 114.3 | T42 K47 | T42-E45 PolarHBondContact O-N 3.27Å; E45-K47 VanDerWaalsContact C-N 3.29Å; E45-K47 PolarHBondContact O-N 3.47Å |
| 46 | L | 53.2 | Low | 51.1 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -84.8 | 5.6 | -178.2 | -150.2 | 73.8 | 0 | 0 | 0 | 114.2 | ||
| 47 | K | 57.8 | Low | 51.6 | Low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -91.5 | -4.7 | -177.3 | -87.3 | -178.2 | 177.8 | 173.8 | 0 | 115.3 | E45 | E45-K47 VanDerWaalsContact C-N 3.29Å; E45-K47 PolarHBondContact O-N 3.47Å |
| 48 | Y | 56.7 | Low | 52.2 | Low | 227 Ų | 227 | 131.6 Ų | 131.6 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | trans | -138.6 | 27.5 | -178.8 | -146 | -96.6 | 0 | 0 | 0 | 115.1 | D50 | Y48-D50 PolarHBondContact O-N 2.78Š| ||
| 49 | A | 48.4 | Very low | 52.4 | Low | 72 Ų | 72 | 127.8 Ų | 127.8 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | trans | -82 | 110.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I51 | A49-I51 PolarHBondContact O-N 2.77Š| ||
| 50 | D | 52.7 | Low | 52.7 | Low | 86 Ų | 86 | 128.9 Ų | 128.9 | 46% | 0.46 | 70% | 0.699 | S | S | . | * | trans | -58.7 | 99.2 | 179 | -155.1 | -15.5 | 0 | 0 | 0 | 110 | Y48 R52 N53 | Y48-D50 PolarHBondContact O-N 2.78Å; D50-R52 PolarHBondContact O-N 3.44Å; D50-R52 IonicContact OD1-CZ 3.76Å; D50-R52 IonicContact OD1-NE 2.74Å; D50-R52 PolarHBondContact OD1-NE 3.09Å; D50-R52 IonicContact OD1-NH2 3.67Å; D50-R52 PolarHBondContact OD1-NH2 3.06Å; D50-R52 IonicContact OD2-CZ 2.94Å; D50-R52 IonicContact OD2-NE 3.2Å; D50-R52 IonicContact OD2-NH2 3.76Å; D50-R52 PolarHBondContact OD2-NH2 3.27Å; D50-N53 PolarHBondContact O-N 3.2Å; D50-N53 VanDerWaalsContact O-N 3.11Å | ||
| 51 | I | 57 | Low | 52.7 | Low | 149 Ų | 149 | 131.6 Ų | 131.6 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -18.5 | -176 | -67.2 | 168.4 | 0 | 0 | 0 | 112.2 | A49 N53 L54 | A49-I51 PolarHBondContact O-N 2.77Å; I51-N53 VanDerWaalsContact C-N 3.3Å; I51-N53 PolarHBondContact O-N 3.26Å; I51-L54 PolarHBondContact O-N 3.18Å |
| 52 | R | 56.8 | Low | 53.2 | Low | 192 Ų | 192 | 133 Ų | 133 | 73% | 0.725 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -60.9 | -32.6 | 176.9 | -74.1 | -178.3 | -70.6 | -156.2 | 4.6 | 114 | D50 | D50-R52 PolarHBondContact O-N 3.44Å; D50-R52 IonicContact OD1-CZ 3.76Å; D50-R52 IonicContact OD1-NE 2.74Å; D50-R52 PolarHBondContact OD1-NE 3.09Å; D50-R52 IonicContact OD1-NH2 3.67Å; D50-R52 PolarHBondContact OD1-NH2 3.06Å; D50-R52 IonicContact OD2-CZ 2.94Å; D50-R52 IonicContact OD2-NE 3.2Å; D50-R52 IonicContact OD2-NH2 3.76Å; D50-R52 PolarHBondContact OD2-NH2 3.27Å |
| 53 | N | 52.8 | Low | 53.3 | Low | 117 Ų | 117 | 137.7 Ų | 137.7 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -81.1 | -23.4 | -176.7 | -84.3 | -32.9 | 0 | 0 | 0 | 114 | D50 I51 A56 | D50-N53 PolarHBondContact O-N 3.2Å; D50-N53 VanDerWaalsContact O-N 3.11Å; I51-N53 VanDerWaalsContact C-N 3.3Å; I51-N53 PolarHBondContact O-N 3.26Å; N53-A56 PolarHBondContact O-N 3.42Å |
| 54 | L | 53.4 | Low | 52.7 | Low | 123 Ų | 123 | 139 Ų | 139 | 64% | 0.644 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -73.1 | -30.5 | 176.3 | -115 | 140.4 | 0 | 0 | 0 | 112 | I51 A56 I58 | I51-L54 PolarHBondContact O-N 3.18Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-I58 HydrophobicContact CD2-CD1 4.24Å |
| 55 | G | 50.3 | Low | 52.6 | Low | 53 Ų | 53 | 138.9 Ų | 138.9 | 55% | 0.546 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -68.1 | -29.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 56 | A | 56.5 | Low | 52.4 | Low | 70 Ų | 70 | 138.4 Ų | 138.4 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -75.5 | -27.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N53 L54 | N53-A56 PolarHBondContact O-N 3.42Å; L54-A56 VanDerWaalsContact C-N 3.32Å |
| 57 | M | 55.6 | Low | 52.2 | Low | 170 Ų | 170 | 140.6 Ų | 140.6 | 84% | 0.837 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -89.6 | -11.1 | -176.5 | -65.1 | -83.9 | -93.7 | 0 | 0 | 113.3 | ||
| 58 | I | 56 | Low | 51.6 | Low | 133 Ų | 133 | 140 Ų | 140 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -98 | -7.2 | -178.6 | -64.5 | 175 | 0 | 0 | 0 | 112.4 | L54 | L54-I58 HydrophobicContact CD2-CD1 4.24Š|
| 59 | A | 51.3 | Low | 51.1 | Low | 54 Ų | 54 | 132.8 Ų | 132.8 | 45% | 0.446 | 73% | 0.725 | S | S | . | * | trans | -127.2 | 93.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L61 | A59-L61 PolarHBondContact O-N 2.9Š| ||
| 60 | P | 53 | Low | 51.1 | Low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -74.7 | 39.9 | 165.1 | -17.3 | 32.6 | 0 | 0 | 0 | 114.4 | ||||
| 61 | L | 51.4 | Low | 51.3 | Low | 150 Ų | 150 | 145.5 Ų | 145.5 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -133.1 | 61.3 | 177.4 | -69.9 | -177.2 | 0 | 0 | 0 | 112.2 | A59 | A59-L61 PolarHBondContact O-N 2.9Š| ||
| 62 | H | 53.9 | Low | 51.4 | Low | 173 Ų | 173 | 143.5 Ų | 143.5 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -112.3 | 46.5 | 166.5 | -87.7 | -173.2 | 0 | 0 | 0 | 111.4 | ||||
| 63 | F | 47.5 | Very low | 51.6 | Low | 196 Ų | 196 | 142.7 Ų | 142.7 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -130.1 | 12.3 | 171.9 | -160.7 | -103.2 | 0 | 0 | 0 | 114.4 | ||
| 64 | L | 40.8 | Very low | 51.8 | Low | 168 Ų | 168 | 139.3 Ų | 139.3 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | -121.7 | 46.6 | 172.1 | -77 | 168 | 0 | 0 | 0 | 111.1 | V66 | L64-V66 VanDerWaalsContact C-N 3.26Å; L64-V66 PolarHBondContact O-N 3.14Å | ||
| 65 | E | 47.8 | Very low | 52.2 | Low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | -88.6 | 46 | -179.9 | -156.1 | 176.6 | -177.1 | 0 | 0 | 112.8 | ||||
| 66 | V | 48.1 | Very low | 52.9 | Low | 133 Ų | 133 | 143.4 Ų | 143.4 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -144.6 | 74.7 | 172.7 | -164.9 | 0 | 0 | 0 | 0 | 110.6 | L64 | L64-V66 VanDerWaalsContact C-N 3.26Å; L64-V66 PolarHBondContact O-N 3.14Å |
| 67 | K | 48 | Very low | 53.4 | Low | 203 Ų | 203 | 143.3 Ų | 143.3 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 163.9 | 8.8 | 143.5 | -95.5 | -179.4 | 174.1 | 178.6 | 0 | 118.7 | ||
| 68 | L | 45.2 | Very low | 54.2 | Low | 180 Ų | 180 | 140 Ų | 140 | 94% | 0.942 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -110.4 | 128 | 174 | -85.1 | 152.9 | 0 | 0 | 0 | 111.6 | ||
| 69 | G | 47.3 | Very low | 55.2 | Low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -48.8 | 133.7 | -167 | 0 | 0 | 0 | 0 | 0 | 114.2 | R71 | G69-R71 PolarHBondContact O-N 2.98Š| ||
| 70 | K | 47.8 | Very low | 56.4 | Low | 204 Ų | 204 | 139.8 Ų | 139.8 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -54.4 | 105 | 166 | -78.7 | 160.2 | 175 | 173.6 | 0 | 108.1 | P72 | K70-P72 WeakPolarHBondContact O-CD 3.38Š| ||
| 71 | R | 57.1 | Low | 57.9 | Low | 221 Ų | 221 | 139.5 Ų | 139.5 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 119.9 | 160.1 | -175.3 | 177.2 | -178 | 145.8 | -0.9 | 105.7 | G69 Q73 | G69-R71 PolarHBondContact O-N 2.98Å; R71-Q73 PolarHBondContact O-N 2.93Å |
| 72 | P | 58.5 | Low | 59.6 | Low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 127.7 | 175 | -23 | 32 | 0 | 0 | 0 | 108.2 | K70 P74 | K70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-P74 WeakPolarHBondContact O-CD 3.46Å; P72-P74 VanDerWaalsContact O-N 3.17Å |
| 73 | Q | 60.5 | Low | 61.4 | Low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.4 | 169.5 | -74.8 | -71.5 | 1.2 | 0 | 0 | 106.3 | R71 V75 | R71-Q73 PolarHBondContact O-N 2.93Å; Q73-V75 PolarHBondContact O-N 3.38Å; Q73-V75 VanDerWaalsContact O-N 3.13Å |
| 74 | P | 57.6 | Low | 63.5 | Low | 46 Ų | 46 | 129.3 Ų | 129.3 | 30% | 0.299 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 123.8 | -175.1 | 19.4 | -27.8 | 0 | 0 | 0 | 108.7 | P72 E78 L79 | P72-P74 WeakPolarHBondContact O-CD 3.46Å; P72-P74 VanDerWaalsContact O-N 3.17Å; P74-E78 WeakPolarHBondContact CA-OE2 3.45Å; P74-E78 HydrophobicContact CB-CB 4.24Å; P74-L79 HydrophobicContact CB-CD2 3.98Å; P74-L79 HydrophobicContact CB-CG 4.09Å; P74-L79 HydrophobicContact CG-CD2 3.65Å; P74-L79 HydrophobicContact CG-CG 4.12Å |
| 75 | V | 61.9 | Low | 66 | Low | 87 Ų | 87 | 127.2 Ų | 127.2 | 53% | 0.527 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 142.5 | 174.4 | -94 | 0 | 0 | 0 | 0 | 108.2 | Q73 S77 E78 L79 | Q73-V75 PolarHBondContact O-N 3.38Å; Q73-V75 VanDerWaalsContact O-N 3.13Å; V75-S77 PolarHBondContact O-N 3.5Å; V75-E78 HydrophobicContact CG2-CB 4.37Å; V75-E78 VanDerWaalsContact CG2-CD 3.49Å; V75-E78 HydrophobicContact CG2-CG 3.75Å; V75-E78 WeakPolarHBondContact O-CA 3.49Å; V75-E78 WeakPolarHBondContact O-CB 3.35Å; V75-E78 PolarHBondContact O-N 3.34Å; V75-L79 PolarHBondContact O-N 2.93Å |
| 76 | K | 66.1 | Low | 68.2 | Low | 174 Ų | 174 | 124.4 Ų | 124.4 | 76% | 0.757 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -48.5 | -34.2 | -172.7 | -74.6 | 178.4 | 177.3 | 176.4 | 0 | 114 | E78 L79 D80 | K76-E78 PolarHBondContact O-N 3.48Å; K76-L79 WeakPolarHBondContact O-CB 3.13Å; K76-L79 PolarHBondContact O-N 3.25Å; K76-D80 PolarHBondContact O-N 3.33Å; K76-D80 VanDerWaalsContact O-N 3.08Å |
| 77 | S | 66.9 | Low | 70.5 | Confident | 69 Ų | 69 | 124.9 Ų | 124.9 | 48% | 0.483 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.6 | -39.3 | 173.9 | 52.9 | 0 | 0 | 0 | 0 | 114 | V75 L79 D80 E81 | V75-S77 PolarHBondContact O-N 3.5Å; S77-L79 VanDerWaalsContact C-N 3.32Å; S77-D80 PolarHBondContact O-N 3.05Å; S77-E81 WeakPolarHBondContact O-CG 3.44Å; S77-E81 PolarHBondContact O-N 3.43Å |
| 78 | E | 70.6 | Confident | 72.7 | Confident | 100 Ų | 100 | 122.8 Ų | 122.8 | 47% | 0.467 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.8 | -33.4 | 175.8 | -72.9 | 174.8 | 178.2 | 0 | 0 | 111.9 | P74 V75 K76 E82 | P74-E78 WeakPolarHBondContact CA-OE2 3.45Å; P74-E78 HydrophobicContact CB-CB 4.24Å; V75-E78 HydrophobicContact CG2-CB 4.37Å; V75-E78 VanDerWaalsContact CG2-CD 3.49Å; V75-E78 HydrophobicContact CG2-CG 3.75Å; V75-E78 WeakPolarHBondContact O-CA 3.49Å; V75-E78 WeakPolarHBondContact O-CB 3.35Å; V75-E78 PolarHBondContact O-N 3.34Å; K76-E78 PolarHBondContact O-N 3.48Å; E78-E82 VanDerWaalsContact O-CB 3.3Å; E78-E82 WeakPolarHBondContact O-CB 3.49Å; E78-E82 PolarHBondContact O-N 2.96Å |
| 79 | L | 77.4 | Confident | 75.2 | Confident | 81 Ų | 81 | 122.7 Ų | 122.7 | 42% | 0.424 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.8 | -43.1 | 175.6 | -68.1 | 175.1 | 0 | 0 | 0 | 111.6 | P74 V75 K76 S77 E82 E83 | P74-L79 HydrophobicContact CB-CD2 3.98Å; P74-L79 HydrophobicContact CB-CG 4.09Å; P74-L79 HydrophobicContact CG-CD2 3.65Å; P74-L79 HydrophobicContact CG-CG 4.12Å; V75-L79 PolarHBondContact O-N 2.93Å; K76-L79 WeakPolarHBondContact O-CB 3.13Å; K76-L79 PolarHBondContact O-N 3.25Å; S77-L79 VanDerWaalsContact C-N 3.32Å; L79-E82 PolarHBondContact O-N 3.14Å; L79-E83 PolarHBondContact O-N 3.32Å |
| 80 | D | 78.1 | Confident | 77.6 | Confident | 101 Ų | 101 | 125.9 Ų | 125.9 | 54% | 0.54 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65 | -43.8 | 177.8 | -65 | -22.1 | 0 | 0 | 0 | 111.1 | K76 S77 E82 E83 E84 | K76-D80 PolarHBondContact O-N 3.33Å; K76-D80 VanDerWaalsContact O-N 3.08Å; S77-D80 PolarHBondContact O-N 3.05Å; D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.46Å; D80-E83 PolarHBondContact O-N 2.96Å; D80-E84 PolarHBondContact O-N 2.97Å |
| 81 | E | 84.4 | Confident | 80 | Confident | 118 Ų | 118 | 122 Ų | 122 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -37.5 | 173.8 | -73.8 | -178.7 | -169.4 | 0 | 0 | 112.8 | S77 R85 | S77-E81 WeakPolarHBondContact O-CG 3.44Å; S77-E81 PolarHBondContact O-N 3.43Å; E81-R85 WeakPolarHBondContact O-CB 3.35Å; E81-R85 PolarHBondContact O-N 3.25Å |
| 82 | E | 87.1 | Confident | 82 | Confident | 78 Ų | 78 | 119 Ų | 119 | 36% | 0.364 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.1 | -38.7 | 174.8 | -166.4 | -173.6 | 146.1 | 0 | 0 | 111.6 | E78 L79 D80 R85 R86 | E78-E82 VanDerWaalsContact O-CB 3.3Å; E78-E82 WeakPolarHBondContact O-CB 3.49Å; E78-E82 PolarHBondContact O-N 2.96Å; L79-E82 PolarHBondContact O-N 3.14Å; D80-E82 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 3.46Å; E82-R85 PolarHBondContact O-N 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.27Å; E82-R86 PolarHBondContact O-N 3.27Å; E82-R86 IonicContact OE1-CZ 3.77Å; E82-R86 IonicContact OE1-NH2 2.96Å; E82-R86 PolarHBondContact OE1-NH2 3.26Å |
| 83 | E | 89.9 | Confident | 83.8 | Confident | 113 Ų | 113 | 119.4 Ų | 119.4 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 174.9 | -177.4 | 163.3 | -155.8 | 0 | 0 | 112.1 | L79 D80 R85 R86 K87 | L79-E83 PolarHBondContact O-N 3.32Å; D80-E83 PolarHBondContact O-N 2.96Å; E83-R85 VanDerWaalsContact C-N 3.34Å; E83-R85 PolarHBondContact O-N 3.24Å; E83-R86 WeakPolarHBondContact O-CB 3.47Å; E83-R86 PolarHBondContact O-N 3.09Å; E83-K87 PolarHBondContact O-N 2.98Å |
| 84 | E | 91.6 | Very high | 85.7 | Confident | 115 Ų | 115 | 118.7 Ų | 118.7 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 173.6 | -74 | -153 | 164.1 | 0 | 0 | 112 | D80 R86 K87 R88 | D80-E84 PolarHBondContact O-N 2.97Å; E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 3.31Å; E84-K87 WeakPolarHBondContact O-CB 3.42Å; E84-K87 PolarHBondContact O-N 2.86Å; E84-K87 VanDerWaalsContact O-N 3.15Å; E84-R88 WeakPolarHBondContact O-CG 3.38Å; E84-R88 PolarHBondContact O-N 2.91Å; E84-R88 IonicContact OE2-NH2 3.68Å |
| 85 | R | 93.4 | Very high | 87.6 | Confident | 123 Ų | 123 | 120 Ų | 120 | 46% | 0.464 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 176.7 | -168.8 | -173.6 | -58.9 | 118.1 | 3.4 | 111 | E81 E82 E83 R88 R89 | E81-R85 WeakPolarHBondContact O-CB 3.35Å; E81-R85 PolarHBondContact O-N 3.25Å; E82-R85 PolarHBondContact O-N 3.24Å; E83-R85 VanDerWaalsContact C-N 3.34Å; E83-R85 PolarHBondContact O-N 3.24Å; R85-R88 PolarHBondContact O-N 3.49Å; R85-R89 WeakPolarHBondContact O-CG 3.34Å; R85-R89 PolarHBondContact O-N 3.22Å |
| 86 | R | 94.8 | Very high | 89.3 | Confident | 108 Ų | 108 | 118.4 Ų | 118.4 | 41% | 0.408 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 175.8 | -171.1 | -174.6 | -73.6 | 95.6 | 3.1 | 111.4 | E82 E83 E84 R89 R90 | E82-R86 WeakPolarHBondContact O-CB 3.27Å; E82-R86 PolarHBondContact O-N 3.27Å; E82-R86 IonicContact OE1-CZ 3.77Å; E82-R86 IonicContact OE1-NH2 2.96Å; E82-R86 PolarHBondContact OE1-NH2 3.26Å; E83-R86 WeakPolarHBondContact O-CB 3.47Å; E83-R86 PolarHBondContact O-N 3.09Å; E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 3.31Å; R86-R89 PolarHBondContact O-N 3.36Å; R86-R90 WeakPolarHBondContact O-CG 3.44Å; R86-R90 PolarHBondContact O-N 2.93Å |
| 87 | K | 95.4 | Very high | 90.9 | Very high | 143 Ų | 143 | 111.9 Ų | 111.9 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -48.6 | 174.9 | -172.1 | 178.6 | 177.3 | -177.6 | 0 | 111.5 | E83 E84 R89 R90 E91 | E83-K87 PolarHBondContact O-N 2.98Å; E84-K87 WeakPolarHBondContact O-CB 3.42Å; E84-K87 PolarHBondContact O-N 2.86Å; E84-K87 VanDerWaalsContact O-N 3.15Å; K87-R89 VanDerWaalsContact C-N 3.3Å; K87-R89 PolarHBondContact O-N 3.32Å; K87-R90 PolarHBondContact O-N 3.37Å; K87-R90 VanDerWaalsContact O-N 3.16Å; K87-E91 PolarHBondContact O-N 3.35Å |
| 88 | R | 95.9 | Very high | 92.4 | Very high | 160 Ų | 160 | 110.8 Ų | 110.8 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -39.4 | 176.2 | -67.2 | -179.8 | -165.1 | -137.7 | 6.5 | 112.2 | E84 R85 K92 | E84-R88 WeakPolarHBondContact O-CG 3.38Å; E84-R88 PolarHBondContact O-N 2.91Å; E84-R88 IonicContact OE2-NH2 3.68Å; R85-R88 PolarHBondContact O-N 3.49Å; R88-K92 WeakPolarHBondContact O-CG 3.33Å; R88-K92 PolarHBondContact O-N 3.47Å |
| 89 | R | 97.3 | Very high | 93.7 | Very high | 178 Ų | 178 | 114.8 Ų | 114.8 | 67% | 0.672 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 175.3 | -74.4 | 179.2 | -179 | -161.8 | 1.1 | 112.1 | R85 R86 K87 E91 K92 N93 | R85-R89 WeakPolarHBondContact O-CG 3.34Å; R85-R89 PolarHBondContact O-N 3.22Å; R86-R89 PolarHBondContact O-N 3.36Å; K87-R89 VanDerWaalsContact C-N 3.3Å; K87-R89 PolarHBondContact O-N 3.32Å; R89-E91 VanDerWaalsContact C-N 3.34Å; R89-E91 PolarHBondContact O-N 2.81Å; R89-K92 PolarHBondContact O-N 3.35Å; R89-N93 WeakPolarHBondContact O-CB 3.25Å; R89-N93 PolarHBondContact O-N 3.07Å |
| 90 | R | 97.9 | Very high | 94.8 | Very high | 141 Ų | 141 | 115.2 Ų | 115.2 | 53% | 0.532 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 176.7 | -75.3 | -175.5 | -77.6 | -156.8 | 0.8 | 111.8 | R86 K87 N93 K94 | R86-R90 WeakPolarHBondContact O-CG 3.44Å; R86-R90 PolarHBondContact O-N 2.93Å; K87-R90 PolarHBondContact O-N 3.37Å; K87-R90 VanDerWaalsContact O-N 3.16Å; R90-N93 PolarHBondContact O-N 3.36Å; R90-K94 WeakPolarHBondContact O-CB 3.36Å; R90-K94 PolarHBondContact O-N 3.43Å |
| 91 | E | 97.5 | Very high | 95.7 | Very high | 123 Ų | 123 | 119.4 Ų | 119.4 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 177.6 | -171.5 | 170 | -164.2 | 0 | 0 | 112 | K87 R89 N93 K94 V95 | K87-E91 PolarHBondContact O-N 3.35Å; R89-E91 VanDerWaalsContact C-N 3.34Å; R89-E91 PolarHBondContact O-N 2.81Å; E91-N93 VanDerWaalsContact C-N 3.34Å; E91-N93 PolarHBondContact O-N 3.39Å; E91-K94 WeakPolarHBondContact O-CB 3.26Å; E91-K94 PolarHBondContact O-N 3.46Å; E91-V95 WeakPolarHBondContact O-CG2 3.43Å; E91-V95 PolarHBondContact O-N 3Å |
| 92 | K | 98.4 | Very high | 96.4 | Very high | 159 Ų | 159 | 118 Ų | 118 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.9 | -44.3 | 172.7 | -73.1 | 178.1 | -178.4 | -174 | 0 | 112 | R88 R89 V95 A96 | R88-K92 WeakPolarHBondContact O-CG 3.33Å; R88-K92 PolarHBondContact O-N 3.47Å; R89-K92 PolarHBondContact O-N 3.35Å; K92-V95 PolarHBondContact O-N 2.97Å; K92-A96 WeakPolarHBondContact O-CB 3.07Å; K92-A96 PolarHBondContact O-N 3.07Å |
| 93 | N | 98.2 | Very high | 97 | Very high | 114 Ų | 114 | 121.9 Ų | 121.9 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.3 | -38.9 | 177.6 | -177.1 | -95.4 | 0 | 0 | 0 | 111.9 | R89 R90 E91 V95 A96 A97 | R89-N93 WeakPolarHBondContact O-CB 3.25Å; R89-N93 PolarHBondContact O-N 3.07Å; R90-N93 PolarHBondContact O-N 3.36Å; E91-N93 VanDerWaalsContact C-N 3.34Å; E91-N93 PolarHBondContact O-N 3.39Å; N93-V95 VanDerWaalsContact C-N 3.35Å; N93-V95 PolarHBondContact O-N 2.98Å; N93-A96 PolarHBondContact O-N 3.01Å; N93-A97 VanDerWaalsContact O-CB 3.31Å; N93-A97 WeakPolarHBondContact O-CB 3.35Å; N93-A97 PolarHBondContact O-N 3.05Å |
| 94 | K | 98.5 | Very high | 97.4 | Very high | 161 Ų | 161 | 124 Ų | 124 | 70% | 0.7 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58 | -47.1 | 174.4 | -176.2 | -179.2 | 179.3 | -177 | 0 | 111.1 | R90 E91 A98 | R90-K94 WeakPolarHBondContact O-CB 3.36Å; R90-K94 PolarHBondContact O-N 3.43Å; E91-K94 WeakPolarHBondContact O-CB 3.26Å; E91-K94 PolarHBondContact O-N 3.46Å; K94-A98 WeakPolarHBondContact O-CB 2.99Å; K94-A98 PolarHBondContact O-N 3.44Å |
| 95 | V | 98.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 124.2 Ų | 124.2 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66 | -42.8 | 176.7 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | E91 K92 N93 A97 A98 R99 | E91-V95 WeakPolarHBondContact O-CG2 3.43Å; E91-V95 PolarHBondContact O-N 3Å; K92-V95 PolarHBondContact O-N 2.97Å; N93-V95 VanDerWaalsContact C-N 3.35Å; N93-V95 PolarHBondContact O-N 2.98Å; V95-A97 PolarHBondContact O-N 3.09Å; V95-A98 PolarHBondContact O-N 2.95Å; V95-R99 HydrophobicContact CG1-CG 4.41Å; V95-R99 WeakPolarHBondContact O-CB 3.46Å; V95-R99 WeakPolarHBondContact O-CG 3.43Å; V95-R99 PolarHBondContact O-N 3.5Å |
| 96 | A | 98.6 | Very high | 98 | Very high | 55 Ų | 55 | 123.9 Ų | 123.9 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.8 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K92 N93 R99 C100 | K92-A96 WeakPolarHBondContact O-CB 3.07Å; K92-A96 PolarHBondContact O-N 3.07Å; N93-A96 PolarHBondContact O-N 3.01Å; A96-R99 PolarHBondContact O-N 3.09Å; A96-C100 WeakPolarHBondContact O-CB 3.42Å; A96-C100 PolarHBondContact O-N 2.99Å |
| 97 | A | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 125.8 Ų | 125.8 | 30% | 0.298 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.3 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N93 V95 C100 R101 | N93-A97 VanDerWaalsContact O-CB 3.31Å; N93-A97 WeakPolarHBondContact O-CB 3.35Å; N93-A97 PolarHBondContact O-N 3.05Å; V95-A97 PolarHBondContact O-N 3.09Å; A97-C100 PolarHBondContact O-N 3.39Å; A97-R101 WeakPolarHBondContact O-CG 3.24Å; A97-R101 PolarHBondContact O-N 3.03Å |
| 98 | A | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 122.5 Ų | 122.5 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.1 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K94 V95 C100 R101 N102 | K94-A98 WeakPolarHBondContact O-CB 2.99Å; K94-A98 PolarHBondContact O-N 3.44Å; V95-A98 PolarHBondContact O-N 2.95Å; A98-C100 VanDerWaalsContact C-N 3.35Å; A98-C100 PolarHBondContact O-N 2.96Å; A98-R101 PolarHBondContact O-N 2.94Å; A98-N102 WeakPolarHBondContact O-CB 3.33Å; A98-N102 PolarHBondContact O-N 3.28Å; A98-N102 PolarHBondContact O-OD1 3.26Å |
| 99 | R | 98.6 | Very high | 98.4 | Very high | 185 Ų | 185 | 118.8 Ų | 118.8 | 70% | 0.698 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.8 | -40.5 | 175.6 | -74.1 | -179.2 | 177.9 | -153.9 | -0.8 | 112.5 | V95 A96 N102 K103 | V95-R99 HydrophobicContact CG1-CG 4.41Å; V95-R99 WeakPolarHBondContact O-CB 3.46Å; V95-R99 WeakPolarHBondContact O-CG 3.43Å; V95-R99 PolarHBondContact O-N 3.5Å; A96-R99 PolarHBondContact O-N 3.09Å; R99-N102 PolarHBondContact O-N 3.29Å; R99-K103 VanDerWaalsContact O-CB 3.26Å; R99-K103 WeakPolarHBondContact O-CB 3.31Å; R99-K103 PolarHBondContact O-N 2.97Å |
| 100 | C | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 115.7 Ų | 115.7 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 176.5 | -178 | 0 | 0 | 0 | 0 | 111.3 | A96 A97 A98 K103 K104 | A96-C100 WeakPolarHBondContact O-CB 3.42Å; A96-C100 PolarHBondContact O-N 2.99Å; A97-C100 PolarHBondContact O-N 3.39Å; A98-C100 VanDerWaalsContact C-N 3.35Å; A98-C100 PolarHBondContact O-N 2.96Å; C100-K103 PolarHBondContact O-N 3.19Å; C100-K104 WeakPolarHBondContact O-CB 3.49Å; C100-K104 PolarHBondContact O-N 3.4Å |
| 101 | R | 98.7 | Very high | 98.5 | Very high | 189 Ų | 189 | 112.9 Ų | 112.9 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 175.7 | -71 | 173.5 | -177.2 | 174.5 | 0.3 | 111.8 | A97 A98 K104 K105 | A97-R101 WeakPolarHBondContact O-CG 3.24Å; A97-R101 PolarHBondContact O-N 3.03Å; A98-R101 PolarHBondContact O-N 2.94Å; R101-K104 PolarHBondContact O-N 2.85Å; R101-K105 WeakPolarHBondContact O-CB 3.36Å; R101-K105 PolarHBondContact O-N 2.94Å |
| 102 | N | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 112.1 Ų | 112.1 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 178.6 | -74.5 | 6.8 | 0 | 0 | 0 | 111.6 | A98 R99 K104 K105 E106 | A98-N102 WeakPolarHBondContact O-CB 3.33Å; A98-N102 PolarHBondContact O-N 3.28Å; A98-N102 PolarHBondContact O-OD1 3.26Å; R99-N102 PolarHBondContact O-N 3.29Å; N102-K104 VanDerWaalsContact C-N 3.27Å; N102-K104 PolarHBondContact O-N 3.41Å; N102-K105 CarbonylContact O-C 3.59Å; N102-K105 WeakPolarHBondContact O-CB 3.25Å; N102-K105 PolarHBondContact O-N 2.94Å; N102-K105 VanDerWaalsContact O-N 3.08Å; N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 WeakPolarHBondContact O-CG 3.4Å; N102-E106 PolarHBondContact O-N 3.14Å |
| 103 | K | 98.8 | Very high | 98.6 | Very high | 158 Ų | 158 | 111.5 Ų | 111.5 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.3 | -37.8 | 177.1 | -173 | 172.8 | -176.3 | 177.1 | 0 | 112.2 | R99 C100 R107 | R99-K103 VanDerWaalsContact O-CB 3.26Å; R99-K103 WeakPolarHBondContact O-CB 3.31Å; R99-K103 PolarHBondContact O-N 2.97Å; C100-K103 PolarHBondContact O-N 3.19Å; K103-R107 WeakPolarHBondContact O-CB 3.26Å; K103-R107 PolarHBondContact O-N 3.35Å; K103-R107 VanDerWaalsContact O-N 3.07Å |
| 104 | K | 98.8 | Very high | 98.6 | Very high | 157 Ų | 157 | 108.9 Ų | 108.9 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -46.8 | 173.8 | -171.8 | 176.8 | -178.4 | -179.5 | 0 | 110.9 | C100 R101 N102 R107 T108 | C100-K104 WeakPolarHBondContact O-CB 3.49Å; C100-K104 PolarHBondContact O-N 3.4Å; R101-K104 PolarHBondContact O-N 2.85Å; N102-K104 VanDerWaalsContact C-N 3.27Å; N102-K104 PolarHBondContact O-N 3.41Å; K104-R107 PolarHBondContact O-N 3.47Å; K104-T108 WeakPolarHBondContact O-CG2 3.36Å; K104-T108 PolarHBondContact O-N 3.36Å; K104-T108 PolarHBondContact O-OG1 3.49Å |
| 105 | K | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 103.6 Ų | 103.6 | 53% | 0.526 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 178.1 | -180 | 176.1 | 170 | 178.6 | 0 | 112.1 | R101 N102 R107 T108 E109 | R101-K105 WeakPolarHBondContact O-CB 3.36Å; R101-K105 PolarHBondContact O-N 2.94Å; N102-K105 CarbonylContact O-C 3.59Å; N102-K105 WeakPolarHBondContact O-CB 3.25Å; N102-K105 PolarHBondContact O-N 2.94Å; N102-K105 VanDerWaalsContact O-N 3.08Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 2.88Å; K105-T108 WeakPolarHBondContact CA-OG1 3.46Å; K105-T108 PolarHBondContact O-N 2.99Å; K105-T108 PolarHBondContact O-OG1 2.86Å; K105-E109 WeakPolarHBondContact CE-OE1 3.4Å; K105-E109 HydrophobicContact CG-CG 4.37Å; K105-E109 WeakPolarHBondContact CG-OE1 3.45Å; K105-E109 IonicContact NZ-OE1 3.44Å; K105-E109 WeakPolarHBondContact O-CB 3.41Å; K105-E109 VanDerWaalsContact O-CG 3.31Å; K105-E109 WeakPolarHBondContact O-CG 3.4Å; K105-E109 PolarHBondContact O-N 2.96Å |
| 106 | E | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 104.3 Ų | 104.3 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 177.1 | -73.1 | 168.3 | -165.9 | 0 | 0 | 111.6 | N102 E109 F110 | N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 WeakPolarHBondContact O-CG 3.4Å; N102-E106 PolarHBondContact O-N 3.14Å; E106-E109 PolarHBondContact O-N 3.05Å; E106-F110 VanDerWaalsContact O-CB 3.32Å; E106-F110 WeakPolarHBondContact O-CB 3.26Å; E106-F110 PolarHBondContact O-N 3.42Å |
| 107 | R | 98.6 | Very high | 98.7 | Very high | 148 Ų | 148 | 107 Ų | 107 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 176.2 | -174.9 | 177 | -176.5 | -84.1 | 0.8 | 111.6 | K103 K104 K105 F110 L111 | K103-R107 WeakPolarHBondContact O-CB 3.26Å; K103-R107 PolarHBondContact O-N 3.35Å; K103-R107 VanDerWaalsContact O-N 3.07Å; K104-R107 PolarHBondContact O-N 3.47Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 2.88Å; R107-F110 PolarHBondContact O-N 2.97Å; R107-L111 HydrophobicContact CG-CD1 4.39Å; R107-L111 WeakPolarHBondContact O-CG 3.28Å; R107-L111 PolarHBondContact O-N 2.91Å; R107-L111 VanDerWaalsContact O-N 3.1Å |
| 108 | T | 98.6 | Very high | 98.7 | Very high | 74 Ų | 74 | 109.5 Ų | 109.5 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.5 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | K104 K105 F110 L111 Q112 | K104-T108 WeakPolarHBondContact O-CG2 3.36Å; K104-T108 PolarHBondContact O-N 3.36Å; K104-T108 PolarHBondContact O-OG1 3.49Å; K105-T108 WeakPolarHBondContact CA-OG1 3.46Å; K105-T108 PolarHBondContact O-N 2.99Å; K105-T108 PolarHBondContact O-OG1 2.86Å; T108-F110 VanDerWaalsContact C-N 3.34Å; T108-F110 PolarHBondContact O-N 3.44Å; T108-L111 PolarHBondContact O-N 3.3Å; T108-Q112 WeakPolarHBondContact O-CB 3.45Å; T108-Q112 PolarHBondContact O-N 3.15Å |
| 109 | E | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 113.1 Ų | 113.1 | 38% | 0.383 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 177.2 | -73.4 | 172.7 | 171.5 | 0 | 0 | 112.6 | K105 E106 R113 | K105-E109 WeakPolarHBondContact CE-OE1 3.4Å; K105-E109 HydrophobicContact CG-CG 4.37Å; K105-E109 WeakPolarHBondContact CG-OE1 3.45Å; K105-E109 IonicContact NZ-OE1 3.44Å; K105-E109 WeakPolarHBondContact O-CB 3.41Å; K105-E109 VanDerWaalsContact O-CG 3.31Å; K105-E109 WeakPolarHBondContact O-CG 3.4Å; K105-E109 PolarHBondContact O-N 2.96Å; E106-E109 PolarHBondContact O-N 3.05Å; E109-R113 WeakPolarHBondContact O-CB 3.42Å; E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.09Å; E109-R113 VanDerWaalsContact O-N 3.09Å; E109-R113 PolarHBondContact O-NE 2.95Å; E109-R113 VanDerWaalsContact O-NE 3.09Å |
| 110 | F | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 110.3 Ų | 110.3 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -49.7 | 173.7 | 174.8 | -94.5 | 0 | 0 | 0 | 111.3 | E106 R107 T108 Q112 R113 E114 | E106-F110 VanDerWaalsContact O-CB 3.32Å; E106-F110 WeakPolarHBondContact O-CB 3.26Å; E106-F110 PolarHBondContact O-N 3.42Å; R107-F110 PolarHBondContact O-N 2.97Å; T108-F110 VanDerWaalsContact C-N 3.34Å; T108-F110 PolarHBondContact O-N 3.44Å; F110-Q112 VanDerWaalsContact C-N 3.31Å; F110-Q112 PolarHBondContact O-N 2.85Å; F110-R113 PolarHBondContact O-N 3.36Å; F110-E114 WeakPolarHBondContact O-CB 3.36Å; F110-E114 PolarHBondContact O-N 2.94Å |
| 111 | L | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 109.9 Ų | 109.9 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 179.3 | -69.8 | 173.1 | 0 | 0 | 0 | 111.8 | R107 T108 E114 S115 | R107-L111 HydrophobicContact CG-CD1 4.39Å; R107-L111 WeakPolarHBondContact O-CG 3.28Å; R107-L111 PolarHBondContact O-N 2.91Å; R107-L111 VanDerWaalsContact O-N 3.1Å; T108-L111 PolarHBondContact O-N 3.3Å; L111-E114 PolarHBondContact O-N 3.43Å; L111-S115 PolarHBondContact O-N 3.37Å |
| 112 | Q | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 104.7 Ų | 104.7 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 176.9 | -175.9 | 60.8 | 32.4 | 0 | 0 | 111.5 | T108 F110 E114 S115 E116 | T108-Q112 WeakPolarHBondContact O-CB 3.45Å; T108-Q112 PolarHBondContact O-N 3.15Å; F110-Q112 VanDerWaalsContact C-N 3.31Å; F110-Q112 PolarHBondContact O-N 2.85Å; Q112-E114 VanDerWaalsContact C-N 3.29Å; Q112-E114 PolarHBondContact O-N 3.09Å; Q112-S115 WeakPolarHBondContact O-CB 3.49Å; Q112-S115 PolarHBondContact O-N 3.4Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.43Å; Q112-E116 PolarHBondContact NE2-OE1 3.15Å; Q112-E116 WeakPolarHBondContact O-CG 3.37Å; Q112-E116 PolarHBondContact O-N 2.99Å |
| 113 | R | 98.7 | Very high | 98.6 | Very high | 145 Ų | 145 | 102.9 Ų | 102.9 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 177.2 | -76.6 | 180 | -72 | 136.6 | -9.3 | 112.6 | E109 F110 R117 | E109-R113 WeakPolarHBondContact O-CB 3.42Å; E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.09Å; E109-R113 VanDerWaalsContact O-N 3.09Å; E109-R113 PolarHBondContact O-NE 2.95Å; E109-R113 VanDerWaalsContact O-NE 3.09Å; F110-R113 PolarHBondContact O-N 3.36Å; R113-R117 VanDerWaalsContact O-CB 3.31Å; R113-R117 WeakPolarHBondContact O-CB 3.37Å; R113-R117 PolarHBondContact O-N 3Å |
| 114 | E | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 100.7 Ų | 100.7 | 28% | 0.28 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 177.1 | -174.8 | 60.2 | -169.6 | 0 | 0 | 111.7 | F110 L111 Q112 R117 L118 | F110-E114 WeakPolarHBondContact O-CB 3.36Å; F110-E114 PolarHBondContact O-N 2.94Å; L111-E114 PolarHBondContact O-N 3.43Å; Q112-E114 VanDerWaalsContact C-N 3.29Å; Q112-E114 PolarHBondContact O-N 3.09Å; E114-R117 PolarHBondContact O-N 3.36Å; E114-R117 IonicContact OE1-CZ 3.67Å; E114-R117 IonicContact OE1-NE 2.85Å; E114-R117 PolarHBondContact OE1-NE 3.47Å; E114-R117 IonicContact OE1-NH2 3.64Å; E114-R117 PolarHBondContact OE1-NH2 2.69Å; E114-R117 IonicContact OE2-CZ 2.77Å; E114-R117 IonicContact OE2-NE 2.69Å; E114-R117 PolarHBondContact OE2-NE 3.47Å; E114-R117 IonicContact OE2-NH2 3.47Å; E114-L118 HydrophobicContact CG-CD1 4.24Å; E114-L118 WeakPolarHBondContact O-CB 3.46Å; E114-L118 VanDerWaalsContact O-CG 3.28Å; E114-L118 WeakPolarHBondContact O-CG 3.31Å; E114-L118 PolarHBondContact O-N 2.85Å |
| 115 | S | 98.7 | Very high | 98.5 | Very high | 49 Ų | 49 | 97.6 Ų | 97.6 | 34% | 0.343 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59 | -52.2 | 172.2 | -163.6 | 0 | 0 | 0 | 0 | 111 | L111 Q112 R117 L118 E119 | L111-S115 PolarHBondContact O-N 3.37Å; Q112-S115 WeakPolarHBondContact O-CB 3.49Å; Q112-S115 PolarHBondContact O-N 3.4Å; S115-R117 VanDerWaalsContact C-N 3.31Å; S115-R117 PolarHBondContact O-N 2.95Å; S115-L118 PolarHBondContact O-N 3.38Å; S115-L118 VanDerWaalsContact O-N 3.14Å; S115-E119 WeakPolarHBondContact O-CG 3.47Å; S115-E119 PolarHBondContact O-N 3.18Å; S115-E119 PolarHBondContact OG-OE1 3.38Å |
| 116 | E | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 42% | 0.416 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 179.2 | -70.8 | 166 | -167.4 | 0 | 0 | 111.5 | Q112 L118 E119 L120 | Q112-E116 WeakPolarHBondContact CG-OE1 3.43Å; Q112-E116 PolarHBondContact NE2-OE1 3.15Å; Q112-E116 WeakPolarHBondContact O-CG 3.37Å; Q112-E116 PolarHBondContact O-N 2.99Å; E116-L118 PolarHBondContact O-N 3.44Å; E116-E119 PolarHBondContact O-N 2.78Å; E116-L120 VanDerWaalsContact O-CG 3.31Å; E116-L120 WeakPolarHBondContact O-CG 3.47Å; E116-L120 PolarHBondContact O-N 2.73Å |
| 117 | R | 98.6 | Very high | 98.4 | Very high | 111 Ų | 111 | 95.8 Ų | 95.8 | 42% | 0.419 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.5 | -170 | -170.8 | 74.5 | 75 | 4.5 | 111.7 | R113 E114 S115 L120 M121 | R113-R117 VanDerWaalsContact O-CB 3.31Å; R113-R117 WeakPolarHBondContact O-CB 3.37Å; R113-R117 PolarHBondContact O-N 3Å; E114-R117 PolarHBondContact O-N 3.36Å; E114-R117 IonicContact OE1-CZ 3.67Å; E114-R117 IonicContact OE1-NE 2.85Å; E114-R117 PolarHBondContact OE1-NE 3.47Å; E114-R117 IonicContact OE1-NH2 3.64Å; E114-R117 PolarHBondContact OE1-NH2 2.69Å; E114-R117 IonicContact OE2-CZ 2.77Å; E114-R117 IonicContact OE2-NE 2.69Å; E114-R117 PolarHBondContact OE2-NE 3.47Å; E114-R117 IonicContact OE2-NH2 3.47Å; S115-R117 VanDerWaalsContact C-N 3.31Å; S115-R117 PolarHBondContact O-N 2.95Å; R117-L120 PolarHBondContact O-N 3.17Å; R117-M121 PolarHBondContact NH1-SD 2.93Å; R117-M121 WeakPolarHBondContact O-CG 3.46Å; R117-M121 PolarHBondContact O-N 3.1Å |
| 118 | L | 98.7 | Very high | 98.4 | Very high | 89 Ų | 89 | 92.7 Ų | 92.7 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 178.9 | -71.9 | 173.1 | 0 | 0 | 0 | 111.9 | E114 S115 E116 M121 N122 | E114-L118 HydrophobicContact CG-CD1 4.24Å; E114-L118 WeakPolarHBondContact O-CB 3.46Å; E114-L118 VanDerWaalsContact O-CG 3.28Å; E114-L118 WeakPolarHBondContact O-CG 3.31Å; E114-L118 PolarHBondContact O-N 2.85Å; S115-L118 PolarHBondContact O-N 3.38Å; S115-L118 VanDerWaalsContact O-N 3.14Å; E116-L118 PolarHBondContact O-N 3.44Å; L118-M121 PolarHBondContact O-N 3.22Å; L118-N122 VanDerWaalsContact O-CB 3.25Å; L118-N122 WeakPolarHBondContact O-CB 3.31Å; L118-N122 PolarHBondContact O-N 3.08Å |
| 119 | E | 98.3 | Very high | 98.4 | Very high | 121 Ų | 121 | 92.8 Ų | 92.8 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 174.8 | -75.5 | 167.6 | -150.6 | 0 | 0 | 111.6 | S115 E116 N122 A123 | S115-E119 WeakPolarHBondContact O-CG 3.47Å; S115-E119 PolarHBondContact O-N 3.18Å; S115-E119 PolarHBondContact OG-OE1 3.38Å; E116-E119 PolarHBondContact O-N 2.78Å; E119-N122 PolarHBondContact O-N 3.42Å; E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 3.34Å |
| 120 | L | 98.5 | Very high | 98.3 | Very high | 126 Ų | 126 | 93.1 Ų | 93.1 | 66% | 0.66 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.7 | -48.7 | 175 | -72.1 | 172.3 | 0 | 0 | 0 | 111.7 | E116 R117 N122 A123 E124 | E116-L120 VanDerWaalsContact O-CG 3.31Å; E116-L120 WeakPolarHBondContact O-CG 3.47Å; E116-L120 PolarHBondContact O-N 2.73Å; R117-L120 PolarHBondContact O-N 3.17Å; L120-N122 VanDerWaalsContact C-N 3.29Å; L120-N122 PolarHBondContact O-N 3.3Å; L120-A123 PolarHBondContact O-N 3.3Å; L120-E124 PolarHBondContact O-N 2.85Å |
| 121 | M | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 92.7 Ų | 92.7 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 176.7 | -72.5 | -175.1 | 72.8 | 0 | 0 | 112.2 | R117 L118 E124 L125 | R117-M121 PolarHBondContact NH1-SD 2.93Å; R117-M121 WeakPolarHBondContact O-CG 3.46Å; R117-M121 PolarHBondContact O-N 3.1Å; L118-M121 PolarHBondContact O-N 3.22Å; M121-E124 PolarHBondContact O-N 3.36Å; M121-L125 WeakPolarHBondContact O-CB 3.33Å; M121-L125 VanDerWaalsContact O-CG 3.26Å; M121-L125 WeakPolarHBondContact O-CG 2.73Å; M121-L125 PolarHBondContact O-N 2.99Å |
| 122 | N | 98.2 | Very high | 98.2 | Very high | 80 Ų | 80 | 94 Ų | 94 | 43% | 0.428 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.4 | -169.9 | -81.8 | 0 | 0 | 0 | 111.2 | L118 E119 L120 K126 | L118-N122 VanDerWaalsContact O-CB 3.25Å; L118-N122 WeakPolarHBondContact O-CB 3.31Å; L118-N122 PolarHBondContact O-N 3.08Å; E119-N122 PolarHBondContact O-N 3.42Å; L120-N122 VanDerWaalsContact C-N 3.29Å; L120-N122 PolarHBondContact O-N 3.3Å; N122-K126 WeakPolarHBondContact O-CB 3.49Å; N122-K126 VanDerWaalsContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact O-CG 3.33Å; N122-K126 PolarHBondContact O-N 3.01Å; N122-K126 WeakPolarHBondContact OD1-CD 3.39Å; N122-K126 WeakPolarHBondContact OD1-CE 3.48Å; N122-K126 PolarHBondContact OD1-NZ 2.95Å |
| 123 | A | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 94.2 Ų | 94.2 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E119 L120 L125 K126 T127 | E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 3.34Å; L120-A123 PolarHBondContact O-N 3.3Å; A123-L125 PolarHBondContact O-N 3.49Å; A123-K126 PolarHBondContact O-N 3.37Å; A123-T127 PolarHBondContact O-N 3.07Å; A123-T127 PolarHBondContact O-OG1 2.79Å; A123-T127 VanDerWaalsContact O-OG1 3.09Å |
| 124 | E | 98.4 | Very high | 98 | Very high | 113 Ų | 113 | 92.4 Ų | 92.4 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 176.7 | -177.6 | 177.6 | -163 | 0 | 0 | 111.9 | L120 M121 K126 T127 Q128 | L120-E124 PolarHBondContact O-N 2.85Å; M121-E124 PolarHBondContact O-N 3.36Å; E124-K126 VanDerWaalsContact C-N 3.32Å; E124-K126 PolarHBondContact O-N 3.32Å; E124-T127 WeakPolarHBondContact O-CB 3.32Å; E124-T127 PolarHBondContact O-N 3.11Å; E124-Q128 WeakPolarHBondContact O-CG 3.38Å; E124-Q128 PolarHBondContact O-N 2.97Å |
| 125 | L | 98.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 94.8 Ų | 94.8 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 178.2 | -71.7 | 171.8 | 0 | 0 | 0 | 112.2 | M121 A123 T127 Q128 I129 | M121-L125 WeakPolarHBondContact O-CB 3.33Å; M121-L125 VanDerWaalsContact O-CG 3.26Å; M121-L125 WeakPolarHBondContact O-CG 2.73Å; M121-L125 PolarHBondContact O-N 2.99Å; A123-L125 PolarHBondContact O-N 3.49Å; L125-T127 VanDerWaalsContact C-N 3.35Å; L125-Q128 PolarHBondContact O-N 3.45Å; L125-I129 VanDerWaalsContact O-CG1 3.24Å; L125-I129 WeakPolarHBondContact O-CG1 3.44Å; L125-I129 PolarHBondContact O-N 3.06Å |
| 126 | K | 97.1 | Very high | 97.7 | Very high | 121 Ų | 121 | 98.4 Ų | 98.4 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.7 | -80.5 | 171.8 | 172.1 | 162.8 | 0 | 111.7 | N122 A123 E124 I129 E130 | N122-K126 WeakPolarHBondContact O-CB 3.49Å; N122-K126 VanDerWaalsContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact O-CG 3.33Å; N122-K126 PolarHBondContact O-N 3.01Å; N122-K126 WeakPolarHBondContact OD1-CD 3.39Å; N122-K126 WeakPolarHBondContact OD1-CE 3.48Å; N122-K126 PolarHBondContact OD1-NZ 2.95Å; A123-K126 PolarHBondContact O-N 3.37Å; E124-K126 VanDerWaalsContact C-N 3.32Å; E124-K126 PolarHBondContact O-N 3.32Å; K126-I129 PolarHBondContact O-N 3.4Å; K126-E130 PolarHBondContact O-N 3.48Å |
| 127 | T | 98.2 | Very high | 97.5 | Very high | 77 Ų | 77 | 100 Ų | 100 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 111 | A123 E124 L125 I129 E130 E131 | A123-T127 PolarHBondContact O-N 3.07Å; A123-T127 PolarHBondContact O-OG1 2.79Å; A123-T127 VanDerWaalsContact O-OG1 3.09Å; E124-T127 WeakPolarHBondContact O-CB 3.32Å; E124-T127 PolarHBondContact O-N 3.11Å; L125-T127 VanDerWaalsContact C-N 3.35Å; T127-I129 VanDerWaalsContact C-N 3.31Å; T127-I129 PolarHBondContact O-N 2.89Å; T127-E130 PolarHBondContact O-N 3.31Å; T127-E131 HydrophobicContact CG2-CG 4.44Å; T127-E131 WeakPolarHBondContact O-CG 3.31Å; T127-E131 PolarHBondContact O-N 2.87Å |
| 128 | Q | 98.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 100.6 Ų | 100.6 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 177.6 | -69.7 | 177.1 | 10.9 | 0 | 0 | 112.5 | E124 L125 E130 E131 L132 | E124-Q128 WeakPolarHBondContact O-CG 3.38Å; E124-Q128 PolarHBondContact O-N 2.97Å; L125-Q128 PolarHBondContact O-N 3.45Å; Q128-E130 VanDerWaalsContact C-N 3.3Å; Q128-E130 PolarHBondContact O-N 2.86Å; Q128-E131 PolarHBondContact O-N 3.34Å; Q128-L132 WeakPolarHBondContact O-CB 3.37Å; Q128-L132 VanDerWaalsContact O-CG 3.26Å; Q128-L132 WeakPolarHBondContact O-CG 3.45Å; Q128-L132 PolarHBondContact O-N 3.49Å |
| 129 | I | 97.7 | Very high | 97.2 | Very high | 75 Ų | 75 | 101.4 Ų | 101.4 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 175 | -72.9 | 164.9 | 0 | 0 | 0 | 110.6 | L125 K126 T127 K133 | L125-I129 VanDerWaalsContact O-CG1 3.24Å; L125-I129 WeakPolarHBondContact O-CG1 3.44Å; L125-I129 PolarHBondContact O-N 3.06Å; K126-I129 PolarHBondContact O-N 3.4Å; T127-I129 VanDerWaalsContact C-N 3.31Å; T127-I129 PolarHBondContact O-N 2.89Å; I129-K133 HydrophobicContact CG2-CD 4.15Å; I129-K133 WeakPolarHBondContact O-CB 3.43Å; I129-K133 VanDerWaalsContact O-CG 3.27Å; I129-K133 WeakPolarHBondContact O-CG 3.36Å; I129-K133 PolarHBondContact O-N 3.34Å |
| 130 | E | 96.7 | Very high | 96.8 | Very high | 90 Ų | 90 | 97.4 Ų | 97.4 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.1 | -42.7 | -178.7 | -171.8 | 53.8 | -148.5 | 0 | 0 | 111.9 | K126 T127 Q128 L132 K133 Q134 | K126-E130 PolarHBondContact O-N 3.48Å; T127-E130 PolarHBondContact O-N 3.31Å; Q128-E130 VanDerWaalsContact C-N 3.3Å; Q128-E130 PolarHBondContact O-N 2.86Å; E130-L132 PolarHBondContact O-N 2.88Å; E130-K133 WeakPolarHBondContact O-CB 3.26Å; E130-K133 PolarHBondContact O-N 3.36Å; E130-Q134 WeakPolarHBondContact O-CG 3.47Å; E130-Q134 PolarHBondContact O-N 2.85Å; E130-Q134 PolarHBondContact OE1-NE2 3.2Å |
| 131 | E | 97.8 | Very high | 96.5 | Very high | 104 Ų | 104 | 97 Ų | 97 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 173.6 | -71.4 | 172.3 | 175.7 | 0 | 0 | 111.3 | T127 Q128 K133 Q134 E135 | T127-E131 HydrophobicContact CG2-CG 4.44Å; T127-E131 WeakPolarHBondContact O-CG 3.31Å; T127-E131 PolarHBondContact O-N 2.87Å; Q128-E131 PolarHBondContact O-N 3.34Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.01Å; E131-Q134 WeakPolarHBondContact O-CB 3.42Å; E131-Q134 PolarHBondContact O-N 3.46Å; E131-Q134 VanDerWaalsContact O-N 3.14Å; E131-E135 PolarHBondContact O-N 2.94Å |
| 132 | L | 98 | Very high | 96.3 | Very high | 110 Ų | 110 | 98.5 Ų | 98.5 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 178.2 | -71.2 | 171.9 | 0 | 0 | 0 | 112.7 | Q128 E130 R136 | Q128-L132 WeakPolarHBondContact O-CB 3.37Å; Q128-L132 VanDerWaalsContact O-CG 3.26Å; Q128-L132 WeakPolarHBondContact O-CG 3.45Å; Q128-L132 PolarHBondContact O-N 3.49Å; E130-L132 PolarHBondContact O-N 2.88Å; L132-R136 WeakPolarHBondContact O-CB 3.36Å; L132-R136 PolarHBondContact O-N 2.82Å |
| 133 | K | 95.5 | Very high | 95.9 | Very high | 112 Ų | 112 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 174 | -80 | 175 | 177.3 | -178.5 | 0 | 111.6 | I129 E130 E131 R136 Q137 | I129-K133 HydrophobicContact CG2-CD 4.15Å; I129-K133 WeakPolarHBondContact O-CB 3.43Å; I129-K133 VanDerWaalsContact O-CG 3.27Å; I129-K133 WeakPolarHBondContact O-CG 3.36Å; I129-K133 PolarHBondContact O-N 3.34Å; E130-K133 WeakPolarHBondContact O-CB 3.26Å; E130-K133 PolarHBondContact O-N 3.36Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.01Å; K133-R136 PolarHBondContact O-N 2.8Å; K133-Q137 WeakPolarHBondContact O-CG 3.48Å; K133-Q137 PolarHBondContact O-N 3.03Å |
| 134 | Q | 96.1 | Very high | 95.4 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 177.8 | -70.4 | 175.2 | 15.6 | 0 | 0 | 111.2 | E130 E131 R136 Q137 Q138 | E130-Q134 WeakPolarHBondContact O-CG 3.47Å; E130-Q134 PolarHBondContact O-N 2.85Å; E130-Q134 PolarHBondContact OE1-NE2 3.2Å; E131-Q134 WeakPolarHBondContact O-CB 3.42Å; E131-Q134 PolarHBondContact O-N 3.46Å; E131-Q134 VanDerWaalsContact O-N 3.14Å; Q134-R136 VanDerWaalsContact C-N 3.34Å; Q134-R136 PolarHBondContact O-N 3.44Å; Q134-Q137 PolarHBondContact O-N 3.35Å; Q134-Q138 PolarHBondContact O-N 2.96Å |
| 135 | E | 97 | Very high | 95 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | 174.9 | -73 | -175.9 | -175.2 | 0 | 0 | 111.7 | E131 Q137 Q138 L139 | E131-E135 PolarHBondContact O-N 2.94Å; E135-Q137 PolarHBondContact O-N 3.34Å; E135-Q138 PolarHBondContact O-N 3.37Å; E135-L139 WeakPolarHBondContact O-CG 3.44Å; E135-L139 PolarHBondContact O-N 3Å |
| 136 | R | 95.1 | Very high | 94.5 | Very high | 125 Ų | 125 | 106.6 Ų | 106.6 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.9 | -47 | 175.5 | 177.9 | -176.2 | 170.3 | -83.2 | 4.1 | 111.5 | L132 K133 Q134 Q138 L139 I140 | L132-R136 WeakPolarHBondContact O-CB 3.36Å; L132-R136 PolarHBondContact O-N 2.82Å; K133-R136 PolarHBondContact O-N 2.8Å; Q134-R136 VanDerWaalsContact C-N 3.34Å; Q134-R136 PolarHBondContact O-N 3.44Å; R136-Q138 VanDerWaalsContact C-N 3.34Å; R136-Q138 PolarHBondContact O-N 3.23Å; R136-L139 PolarHBondContact O-N 3.41Å; R136-I140 HydrophobicContact CG-CD1 3.84Å; R136-I140 VanDerWaalsContact CZ-CD1 3.49Å; R136-I140 WeakPolarHBondContact O-CB 3.45Å; R136-I140 VanDerWaalsContact O-CG1 3.25Å; R136-I140 WeakPolarHBondContact O-CG1 3.37Å; R136-I140 PolarHBondContact O-N 2.91Å |
| 137 | Q | 94.8 | Very high | 93.9 | Very high | 122 Ų | 122 | 105 Ų | 105 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 178.4 | -77.3 | 175.7 | 5.4 | 0 | 0 | 111.7 | K133 Q134 E135 I140 L141 | K133-Q137 WeakPolarHBondContact O-CG 3.48Å; K133-Q137 PolarHBondContact O-N 3.03Å; Q134-Q137 PolarHBondContact O-N 3.35Å; E135-Q137 PolarHBondContact O-N 3.34Å; Q137-I140 PolarHBondContact O-N 3.46Å; Q137-L141 WeakPolarHBondContact O-CB 3.39Å; Q137-L141 PolarHBondContact O-N 3.24Å |
| 138 | Q | 95.8 | Very high | 93.3 | Very high | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | 176.6 | -175.2 | 179.8 | 0.3 | 0 | 0 | 111.6 | Q134 E135 R136 I140 L141 M142 | Q134-Q138 PolarHBondContact O-N 2.96Å; E135-Q138 PolarHBondContact O-N 3.37Å; R136-Q138 VanDerWaalsContact C-N 3.34Å; R136-Q138 PolarHBondContact O-N 3.23Å; Q138-I140 PolarHBondContact O-N 3.43Å; Q138-L141 PolarHBondContact O-N 2.9Å; Q138-M142 WeakPolarHBondContact O-CG 3.41Å; Q138-M142 PolarHBondContact O-N 3.2Å |
| 139 | L | 94.7 | Very high | 92.8 | Very high | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -43 | 176.8 | -70.7 | 172.2 | 0 | 0 | 0 | 111.7 | E135 R136 L141 M142 L143 | E135-L139 WeakPolarHBondContact O-CG 3.44Å; E135-L139 PolarHBondContact O-N 3Å; R136-L139 PolarHBondContact O-N 3.41Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 3.43Å; L139-M142 PolarHBondContact O-N 2.93Å; L139-L143 WeakPolarHBondContact O-CG 3.4Å; L139-L143 PolarHBondContact O-N 3.34Å |
| 140 | I | 90.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 104.6 Ų | 104.6 | 20% | 0.195 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.3 | -71.9 | 167.8 | 0 | 0 | 0 | 110.8 | R136 Q137 Q138 M142 L143 N144 T159 | R136-I140 HydrophobicContact CG-CD1 3.84Å; R136-I140 VanDerWaalsContact CZ-CD1 3.49Å; R136-I140 WeakPolarHBondContact O-CB 3.45Å; R136-I140 VanDerWaalsContact O-CG1 3.25Å; R136-I140 WeakPolarHBondContact O-CG1 3.37Å; R136-I140 PolarHBondContact O-N 2.91Å; Q137-I140 PolarHBondContact O-N 3.46Å; Q138-I140 PolarHBondContact O-N 3.43Å; I140-M142 PolarHBondContact O-N 3.5Å; I140-L143 PolarHBondContact O-N 3.16Å; I140-N144 WeakPolarHBondContact CG2-ND2 3.33Å; I140-N144 WeakPolarHBondContact O-CB 3.45Å; I140-N144 VanDerWaalsContact O-CG 3.28Å; I140-N144 PolarHBondContact O-N 2.74Å; I140-N144 PolarHBondContact O-ND2 2.84Å; I140-T159 HydrophobicContact CD1-CG2 4.27Å |
| 141 | L | 92.1 | Very high | 91.4 | Very high | 118 Ų | 118 | 108.4 Ų | 108.4 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 177.6 | -177.9 | 144.4 | 0 | 0 | 0 | 111.6 | Q137 Q138 L139 N144 R145 | Q137-L141 WeakPolarHBondContact O-CB 3.39Å; Q137-L141 PolarHBondContact O-N 3.24Å; Q138-L141 PolarHBondContact O-N 2.9Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 3.43Å; L141-N144 PolarHBondContact O-N 3.44Å; L141-R145 PolarHBondContact O-N 3.15Å |
| 142 | M | 93.4 | Very high | 90.5 | Very high | 111 Ų | 111 | 108.5 Ų | 108.5 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175.9 | -71.9 | 179.4 | 65.3 | 0 | 0 | 111.8 | Q138 L139 I140 R145 H146 | Q138-M142 WeakPolarHBondContact O-CG 3.41Å; Q138-M142 PolarHBondContact O-N 3.2Å; L139-M142 PolarHBondContact O-N 2.93Å; I140-M142 PolarHBondContact O-N 3.5Å; M142-R145 PolarHBondContact O-N 3.37Å; M142-H146 PolarHBondContact O-N 2.91Å |
| 143 | L | 90.2 | Very high | 88.8 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 59% | 0.586 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 176.9 | -72 | 174.3 | 0 | 0 | 0 | 111.8 | L139 I140 R145 H146 R147 | L139-L143 WeakPolarHBondContact O-CG 3.4Å; L139-L143 PolarHBondContact O-N 3.34Å; I140-L143 PolarHBondContact O-N 3.16Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.21Å; L143-H146 PolarHBondContact O-N 3.38Å; L143-R147 PolarHBondContact O-N 3.37Å |
| 144 | N | 87 | Confident | 87.2 | Confident | 84 Ų | 84 | 111.7 Ų | 111.7 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 178.3 | -76.8 | -25.7 | 0 | 0 | 0 | 112.3 | I140 L141 P148 | I140-N144 WeakPolarHBondContact CG2-ND2 3.33Å; I140-N144 WeakPolarHBondContact O-CB 3.45Å; I140-N144 VanDerWaalsContact O-CG 3.28Å; I140-N144 PolarHBondContact O-N 2.74Å; I140-N144 PolarHBondContact O-ND2 2.84Å; L141-N144 PolarHBondContact O-N 3.44Å; N144-P148 WeakPolarHBondContact O-CD 3.42Å |
| 145 | R | 89.7 | Confident | 85.4 | Confident | 210 Ų | 210 | 112.8 Ų | 112.8 | 79% | 0.792 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.8 | -38.9 | 173.7 | 179.9 | -179.5 | 174.4 | 111.9 | -0 | 112.4 | L141 M142 L143 P148 | L141-R145 PolarHBondContact O-N 3.15Å; M142-R145 PolarHBondContact O-N 3.37Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.21Å; R145-P148 WeakPolarHBondContact O-CD 3.39Å |
| 146 | H | 88.9 | Confident | 83.5 | Confident | 100 Ų | 100 | 111.9 Ų | 111.9 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.4 | -35.4 | -180 | 176.8 | 60.6 | 0 | 0 | 0 | 112.5 | M142 L143 P148 T149 C150 | M142-H146 PolarHBondContact O-N 2.91Å; L143-H146 PolarHBondContact O-N 3.38Å; H146-P148 VanDerWaalsContact C-CD 3.46Å; H146-T149 WeakPolarHBondContact O-CA 3.39Å; H146-T149 PolarHBondContact O-N 3.02Å; H146-T149 PolarHBondContact O-OG1 2.91Å; H146-C150 PolarHBondContact O-N 3.46Å; H146-C150 VanDerWaalsContact O-N 3.14Å |
| 147 | R | 84.3 | Confident | 81.6 | Confident | 87 Ų | 87 | 110.7 Ų | 110.7 | 33% | 0.328 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -50.6 | -43.1 | -170.2 | -154 | -177.4 | -168.3 | 166.5 | 5.6 | 116.1 | L143 T149 C150 T154 D155 | L143-R147 PolarHBondContact O-N 3.37Å; R147-T149 PolarHBondContact O-N 3.48Å; R147-C150 PolarHBondContact O-N 3.06Å; R147-T154 PolarHBondContact NE-O 2.89Å; R147-T154 PolarHBondContact NH2-O 3.44Å; R147-D155 VanDerWaalsContact NH2-C 3.35Å; R147-D155 VanDerWaalsContact NH2-CA 3.32Å |
| 148 | P | 86.3 | Confident | 79.8 | Confident | 94 Ų | 94 | 113.8 Ų | 113.8 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -64.9 | -24.3 | 178.3 | -21.1 | 34.3 | 0 | 0 | 0 | 113.6 | N144 R145 H146 | N144-P148 WeakPolarHBondContact O-CD 3.42Å; R145-P148 WeakPolarHBondContact O-CD 3.39Å; H146-P148 VanDerWaalsContact C-CD 3.46Å |
| 149 | T | 86.6 | Confident | 77.8 | Confident | 103 Ų | 103 | 110.6 Ų | 110.6 | 63% | 0.632 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -96.3 | -8.3 | 179.4 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | H146 R147 | H146-T149 WeakPolarHBondContact O-CA 3.39Å; H146-T149 PolarHBondContact O-N 3.02Å; H146-T149 PolarHBondContact O-OG1 2.91Å; R147-T149 PolarHBondContact O-N 3.48Å |
| 150 | C | 86.1 | Confident | 76 | Confident | 30 Ų | 30 | 110.1 Ų | 110.1 | 20% | 0.203 | 57% | 0.571 | C | S | . | * | trans | -75.5 | 128 | -176.6 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | H146 R147 V152 | H146-C150 PolarHBondContact O-N 3.46Å; H146-C150 VanDerWaalsContact O-N 3.14Å; R147-C150 PolarHBondContact O-N 3.06Å; C150-V152 VanDerWaalsContact C-N 3.32Å; C150-V152 PolarHBondContact SG-N 3.17Å; C150-V152 VanDerWaalsContact SG-N 3.45Å; C150-V152 PolarHBondContact SG-O 2.93Å | ||
| 151 | I | 79.9 | Confident | 74.2 | Confident | 171 Ų | 171 | 116.9 Ų | 116.9 | 88% | 0.877 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -72.4 | -30.2 | 177.5 | -59.3 | 166.9 | 0 | 0 | 0 | 110.6 | R153 | I151-R153 PolarHBondContact O-N 3.25Š|
| 152 | V | 78.8 | Confident | 72.4 | Confident | 106 Ų | 106 | 116 Ų | 116 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -90.2 | 81.3 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | C150 T154 | C150-V152 VanDerWaalsContact C-N 3.32Å; C150-V152 PolarHBondContact SG-N 3.17Å; C150-V152 VanDerWaalsContact SG-N 3.45Å; C150-V152 PolarHBondContact SG-O 2.93Å; V152-T154 HydrophobicContact CG1-CG2 4.39Å; V152-T154 PolarHBondContact O-N 3.22Å; V152-T154 VanDerWaalsContact O-N 3.09Å |
| 153 | R | 61.9 | Low | 70.6 | Confident | 188 Ų | 188 | 119.6 Ų | 119.6 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | trans | -70.4 | 104.1 | 179.5 | -73.2 | -171.9 | 148.1 | 123.9 | 1.8 | 110.6 | I151 | I151-R153 PolarHBondContact O-N 3.25Š| ||
| 154 | T | 61.2 | Low | 69.1 | Low | 100 Ų | 100 | 116.1 Ų | 116.1 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | trans | -111.6 | 106.5 | 168.9 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | R147 V152 S156 | R147-T154 PolarHBondContact NE-O 2.89Å; R147-T154 PolarHBondContact NH2-O 3.44Å; V152-T154 HydrophobicContact CG1-CG2 4.39Å; V152-T154 PolarHBondContact O-N 3.22Å; V152-T154 VanDerWaalsContact O-N 3.09Å; T154-S156 PolarHBondContact O-N 3.29Å | ||
| 155 | D | 60.2 | Low | 67.7 | Low | 131 Ų | 131 | 116.1 Ų | 116.1 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | trans | -91.2 | 59 | -172.3 | -10.9 | -44.9 | 0 | 0 | 0 | 111.3 | R147 | R147-D155 VanDerWaalsContact NH2-C 3.35Å; R147-D155 VanDerWaalsContact NH2-CA 3.32Å | ||
| 156 | S | 56.9 | Low | 66.4 | Low | 91 Ų | 91 | 110.4 Ų | 110.4 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -162.7 | 102.7 | 157.3 | -95.2 | 0 | 0 | 0 | 0 | 114 | T154 | T154-S156 PolarHBondContact O-N 3.29Š| ||
| 157 | V | 54.3 | Low | 64.7 | Low | 100 Ų | 100 | 111.3 Ų | 111.3 | 61% | 0.606 | 61% | 0.61 | S | S | * | * | trans | -134.4 | 84 | 140.2 | -176.6 | 0 | 0 | 0 | 0 | 103.6 | T159 | V157-T159 HydrophobicContact CG1-CG2 4.31Å; V157-T159 PolarHBondContact O-N 2.97Å | ||
| 158 | K | 57.7 | Low | 63.4 | Low | 186 Ų | 186 | 111.2 Ų | 111.2 | 81% | 0.809 | 62% | 0.615 | S | S | * | * | trans | -77.1 | 112.9 | 162.9 | -70.7 | -179 | 179.3 | 179.3 | 0 | 104.7 | P160 | K158-P160 WeakPolarHBondContact O-CD 3.37Š| ||
| 159 | T | 54.4 | Low | 62.2 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 36% | 0.356 | 61% | 0.607 | S | S | . | * | trans | -74.1 | 113.8 | 174.6 | 41.3 | 0 | 0 | 0 | 0 | 108.9 | I140 V157 E161 | I140-T159 HydrophobicContact CD1-CG2 4.27Å; V157-T159 HydrophobicContact CG1-CG2 4.31Å; V157-T159 PolarHBondContact O-N 2.97Å; T159-E161 PolarHBondContact O-N 3.06Å | ||
| 160 | P | 55.5 | Low | 60.7 | Low | 95 Ų | 95 | 112.7 Ų | 112.7 | 62% | 0.617 | 61% | 0.607 | S | S | * | * | trans | -75 | 114.7 | 154.1 | 30.7 | -28.5 | 0 | 0 | 0 | 106.8 | K158 S162 | K158-P160 WeakPolarHBondContact O-CD 3.37Å; P160-S162 PolarHBondContact O-N 2.96Å | ||
| 161 | E | 53.2 | Low | 59.3 | Low | 179 Ų | 179 | 117.5 Ų | 117.5 | 84% | 0.836 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -69.8 | 11.5 | 177.7 | -65.2 | -103 | 128.5 | 0 | 0 | 113.2 | T159 | T159-E161 PolarHBondContact O-N 3.06Š|
| 162 | S | 54.8 | Low | 58.2 | Low | 100 Ų | 100 | 116.4 Ų | 116.4 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | trans | -137.7 | 71.9 | -169 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | P160 G164 | P160-S162 PolarHBondContact O-N 2.96Å; S162-G164 VanDerWaalsContact C-N 3.33Å | ||
| 163 | E | 55.6 | Low | 57.1 | Low | 186 Ų | 186 | 118.8 Ų | 118.8 | 87% | 0.869 | 62% | 0.623 | S | S | * | * | trans | -98.4 | 75.4 | 144.8 | -69 | -168 | 178.6 | 0 | 0 | 106.8 | N165 | E163-N165 PolarHBondContact O-N 3.44Š| ||
| 164 | G | 58.7 | Low | 56 | Low | 39 Ų | 39 | 121.8 Ų | 121.8 | 40% | 0.402 | 64% | 0.641 | S | S | . | * | trans | -55.7 | 127.7 | 163 | 0 | 0 | 0 | 0 | 0 | 107.5 | S162 P166 | S162-G164 VanDerWaalsContact C-N 3.33Å; G164-P166 WeakPolarHBondContact O-CD 3.44Å | ||
| 165 | N | 57.7 | Low | 55.8 | Low | 85 Ų | 85 | 122.9 Ų | 122.9 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | trans | -61.3 | 108.8 | 177.4 | -168.6 | -4.6 | 0 | 0 | 0 | 107.1 | E163 L167 L168 E169 | E163-N165 PolarHBondContact O-N 3.44Å; N165-L167 PolarHBondContact O-N 3.08Å; N165-L168 HydrophobicContact CB-CB 4.08Å; N165-L168 PolarHBondContact O-N 3.01Å; N165-E169 PolarHBondContact O-N 3.13Å | ||
| 166 | P | 60.9 | Low | 55.6 | Low | 89 Ų | 89 | 122.5 Ų | 122.5 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.1 | -25.4 | -167.6 | -22.7 | 32.5 | 0 | 0 | 0 | 112.5 | G164 Q170 | G164-P166 WeakPolarHBondContact O-CD 3.44Å; P166-Q170 VanDerWaalsContact O-CG 3.26Å; P166-Q170 WeakPolarHBondContact O-CG 3.38Å; P166-Q170 PolarHBondContact O-N 2.95Å |
| 167 | L | 54.9 | Low | 55.5 | Low | 120 Ų | 120 | 124.2 Ų | 124.2 | 63% | 0.628 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.8 | -34.2 | 175.6 | -94.4 | 161.7 | 0 | 0 | 0 | 113.6 | N165 L171 | N165-L167 PolarHBondContact O-N 3.08Å; L167-L171 WeakPolarHBondContact O-CG 3.48Å |
| 168 | L | 56.7 | Low | 55.6 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 45% | 0.445 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74 | -40.4 | 178.8 | -160.3 | 74.6 | 0 | 0 | 0 | 110.4 | N165 Q170 L171 E172 | N165-L168 HydrophobicContact CB-CB 4.08Å; N165-L168 PolarHBondContact O-N 3.01Å; L168-Q170 PolarHBondContact O-N 3.5Å; L168-L171 PolarHBondContact O-N 3.25Å; L168-L171 VanDerWaalsContact O-N 3.09Å; L168-E172 PolarHBondContact O-N 2.78Å |
| 169 | E | 59.9 | Low | 55.4 | Low | 93 Ų | 93 | 121.9 Ų | 121.9 | 44% | 0.435 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.3 | -24.4 | 178.5 | -131.7 | -165.7 | 134.3 | 0 | 0 | 113.4 | N165 K173 | N165-E169 PolarHBondContact O-N 3.13Å; E169-K173 WeakPolarHBondContact O-CD 3.34Å; E169-K173 WeakPolarHBondContact O-CG 3.3Å; E169-K173 IonicContact OE1-NZ 3.47Å; E169-K173 PolarHBondContact OE1-NZ 3.39Å |
| 170 | Q | 55.8 | Low | 55.5 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.3 | -24 | 173.6 | -78 | 176.7 | 2.1 | 0 | 0 | 113.2 | P166 L168 | P166-Q170 VanDerWaalsContact O-CG 3.26Å; P166-Q170 WeakPolarHBondContact O-CG 3.38Å; P166-Q170 PolarHBondContact O-N 2.95Å; L168-Q170 PolarHBondContact O-N 3.5Å |
| 171 | L | 56.6 | Low | 55.5 | Low | 130 Ų | 130 | 128.4 Ų | 128.4 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -84 | -29 | 178.8 | -69.8 | 167.5 | 0 | 0 | 0 | 112.2 | L167 L168 | L167-L171 WeakPolarHBondContact O-CG 3.48Å; L168-L171 PolarHBondContact O-N 3.25Å; L168-L171 VanDerWaalsContact O-N 3.09Å |
| 172 | E | 57.6 | Low | 55.7 | Low | 148 Ų | 148 | 124.5 Ų | 124.5 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -17.9 | 177.4 | -68.4 | 175.2 | 177.4 | 0 | 0 | 113.7 | L168 | L168-E172 PolarHBondContact O-N 2.78Š|
| 173 | K | 54.8 | Low | 55.7 | Low | 156 Ų | 156 | 126.5 Ų | 126.5 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 13.4 | -178.2 | -72.2 | 173 | -172.7 | 159.5 | 0 | 113.9 | E169 | E169-K173 WeakPolarHBondContact O-CD 3.34Å; E169-K173 WeakPolarHBondContact O-CG 3.3Å; E169-K173 IonicContact OE1-NZ 3.47Å; E169-K173 PolarHBondContact OE1-NZ 3.39Å |
| 174 | K | 39.7 | Very low | 55.8 | Low | 252 Ų | 252 | 121.1 Ų | 121.1 | 100% | 1.096 | 61% | 0.611 | S | S | * | * | trans | -123.3 | 0 | -173.7 | -129.9 | 176.6 | -176.2 | 179.3 | 0 | 113.1 |
Retrieved 174 of 174 residues in 27.8 ms
(Link to these results)