| 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 | 35.6 | Very low | 30.9 | Very low | 248 Ų | 248 | 167.9 Ų | 167.9 | 100% | 1.222 | 91% | 0.907 | S | S | * | * | 0 | 110.1 | 0 | -65.7 | 175.7 | 173.1 | 0 | 0 | 107.3 | |||||
| 2 | S | 28 | Very low | 31.3 | Very low | 118 Ų | 118 | 165.2 Ų | 165.2 | 83% | 0.825 | 89% | 0.892 | S | S | * | * | trans | -140.8 | 105.8 | 178.1 | -155.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | L | 31.5 | Very low | 31.3 | Very low | 177 Ų | 177 | 171.1 Ų | 171.1 | 93% | 0.927 | 89% | 0.893 | S | S | * | * | trans | -87.4 | 122.5 | 175.4 | -72.4 | 162 | 0 | 0 | 0 | 107.6 | ||||
| 4 | R | 29.8 | Very low | 31.9 | Very low | 243 Ų | 243 | 170.6 Ų | 170.6 | 92% | 0.917 | 89% | 0.888 | S | S | * | * | trans | -120.2 | 119.2 | 159 | -85.5 | -171.3 | -178.6 | -136.7 | 0.8 | 109.2 | ||||
| 5 | S | 30.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 169.7 Ų | 169.7 | 87% | 0.874 | 88% | 0.884 | S | S | * | * | trans | -61.4 | 143.4 | 179.4 | -72.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 6 | R | 34.6 | Very low | 32.3 | Very low | 258 Ų | 258 | 170.8 Ų | 170.8 | 97% | 0.974 | 88% | 0.883 | S | S | * | * | trans | -70 | 148.1 | 167.6 | -75.4 | 167.2 | 152.5 | 158.2 | -7.5 | 111.3 | ||||
| 7 | G | 26.2 | Very low | 32.2 | Very low | 86 Ų | 86 | 172.4 Ų | 172.4 | 89% | 0.887 | 88% | 0.882 | S | S | * | * | trans | 145.7 | 109.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 8 | G | 25.3 | Very low | 32.2 | Very low | 78 Ų | 78 | 168.4 Ų | 168.4 | 80% | 0.804 | 88% | 0.879 | S | S | * | * | trans | 152 | 108.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F10 | G8-F10 PolarHBondContact O-N 3.45Š| ||
| 9 | C | 30.6 | Very low | 32.1 | Very low | 127 Ų | 127 | 164.4 Ų | 164.4 | 86% | 0.858 | 87% | 0.873 | S | S | * | * | trans | -63.4 | 117.8 | -168.7 | -59.3 | 0 | 0 | 0 | 0 | 114.3 | K11 | C9-K11 VanDerWaalsContact C-N 3.33Å; C9-K11 PolarHBondContact O-N 3.48Å; C9-K11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | F | 28.1 | Very low | 31.9 | Very low | 199 Ų | 199 | 165.8 Ų | 165.8 | 87% | 0.873 | 87% | 0.874 | S | S | * | * | trans | -86.5 | 76.2 | 170.8 | -145.8 | -91.2 | 0 | 0 | 0 | 109.7 | G8 | G8-F10 PolarHBondContact O-N 3.45Š| ||
| 11 | K | 40.2 | Very low | 32.1 | Very low | 188 Ų | 188 | 163.7 Ų | 163.7 | 82% | 0.817 | 87% | 0.872 | S | S | * | * | trans | -106.9 | 59.9 | 173.1 | -163.9 | 160.2 | -178.9 | 175.5 | 0 | 109.1 | C9 | C9-K11 VanDerWaalsContact C-N 3.33Å; C9-K11 PolarHBondContact O-N 3.48Å; C9-K11 VanDerWaalsContact O-N 3.12Å | ||
| 12 | D | 34.8 | Very low | 31.9 | Very low | 135 Ų | 135 | 160 Ų | 160 | 72% | 0.722 | 86% | 0.856 | S | S | * | * | trans | -144.8 | 114 | 173.4 | -82.1 | -68.4 | 0 | 0 | 0 | 109.7 | ||||
| 13 | R | 31.2 | Very low | 32.1 | Very low | 242 Ų | 242 | 161.3 Ų | 161.3 | 91% | 0.913 | 86% | 0.859 | S | S | * | * | trans | 152.3 | 62.2 | 144.7 | -159.4 | 155.6 | -166.4 | 174 | 3.1 | 110.5 | ||||
| 14 | M | 40.3 | Very low | 31.9 | Very low | 165 Ų | 165 | 158.4 Ų | 158.4 | 81% | 0.813 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -140.2 | 30 | 165.5 | -103.2 | -60.6 | -175 | 0 | 0 | 113.1 | ||
| 15 | D | 36.5 | Very low | 31.9 | Very low | 157 Ų | 157 | 156 Ų | 156 | 84% | 0.84 | 86% | 0.855 | S | S | * | * | trans | -140.5 | 85.4 | 169.2 | -69.6 | -67.7 | 0 | 0 | 0 | 110.1 | ||||
| 16 | H | 33 | Very low | 31.8 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | trans | -153.2 | 50.5 | 160.8 | -142 | -91 | 0 | 0 | 0 | 111.3 | ||||
| 17 | F | 31.8 | Very low | 31.7 | Very low | 198 Ų | 198 | 148 Ų | 148 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -153.2 | 42.3 | 166 | -124.5 | -79.3 | 0 | 0 | 0 | 113.4 | ||
| 18 | A | 32.1 | Very low | 32 | Very low | 100 Ų | 100 | 155.9 Ų | 155.9 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -167.5 | 87.7 | 160 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 19 | A | 30.2 | Very low | 32.2 | Very low | 92 Ų | 92 | 156.7 Ų | 156.7 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | trans | 171.8 | 86.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 20 | E | 28.3 | Very low | 32.6 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -146.4 | 79.8 | 156.4 | -80.1 | -71.5 | 137.9 | 0 | 0 | 105.8 | ||||
| 21 | C | 34.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | -145.4 | 131.6 | 156 | -96.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 22 | L | 32.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | trans | 82.3 | 105.8 | -170 | -43 | 178.5 | 0 | 0 | 0 | 111 | ||||
| 23 | V | 32.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | -157.6 | 122.8 | 53.5 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 24 | S | 28.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -176.4 | 94 | 139.4 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 25 | M | 28.4 | Very low | 32.3 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 95% | 0.951 | 83% | 0.832 | S | S | * | * | trans | -167 | 102.2 | 137.2 | -73.6 | -143 | 84.8 | 0 | 0 | 107.8 | ||||
| 26 | S | 29.4 | Very low | 32 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -142.3 | 126.1 | 160.8 | -162.7 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 27 | S | 30.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | cis | -164.8 | 144.8 | 12.9 | -87.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 28 | R | 32.7 | Very low | 31.9 | Very low | 250 Ų | 250 | 144.1 Ų | 144.1 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | 169.7 | 106.5 | 128.1 | -98 | 175.7 | 177.5 | 166.9 | 0.2 | 110.9 | |||||
| 29 | A | 31.1 | Very low | 31.9 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 79% | 0.793 | 83% | 0.831 | S | S | * | * | trans | -167.9 | 115.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 30 | V | 37.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -73.2 | 119.3 | 169.5 | 172.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 31 | V | 33.8 | Very low | 32.7 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -137.5 | 123.2 | 160.2 | -177 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 32 | H | 34 | Very low | 32.6 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 155.7 | 179.3 | -72.5 | -94 | 0 | 0 | 0 | 112.7 | ||
| 33 | P | 32.8 | Very low | 32.5 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 146.2 | 177.2 | 35.2 | -31.5 | 0 | 0 | 0 | 111.9 | ||
| 34 | P | 34.3 | Very low | 32.8 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 132.2 | 157 | 31.8 | -26.6 | 0 | 0 | 0 | 111.3 | ||
| 35 | K | 33.7 | Very low | 33 | Very low | 209 Ų | 209 | 150 Ų | 150 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 152.5 | 176.5 | -59.4 | 168.8 | 177.1 | 177.1 | 0 | 111.1 | ||
| 36 | G | 31.3 | Very low | 33.2 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 148.4 | 92.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 37 | N | 27.1 | Very low | 33.3 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | 46.4 | 120.5 | 137.7 | -61.7 | 2.7 | 0 | 0 | 0 | 121.1 | ||||
| 38 | R | 35.8 | Very low | 33.4 | Very low | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | -178.3 | 121.4 | 92.7 | -94.2 | 179.2 | -179.1 | 172.9 | 0.6 | 109.8 | |||||
| 39 | E | 32.5 | Very low | 33.5 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -75.8 | 116.1 | 174.3 | -148.8 | 158.2 | 118.8 | 0 | 0 | 108.4 | ||||
| 40 | I | 38.4 | Very low | 33.6 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -121.2 | 105.3 | 168.1 | -57.4 | 177.1 | 0 | 0 | 0 | 106.5 | ||||
| 41 | K | 36.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 124.1 | 176 | -168.2 | -175.1 | -174 | -165.1 | 0 | 109 | ||
| 42 | P | 32.4 | Very low | 34.3 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 116.1 | 166.3 | 26.1 | -19.6 | 0 | 0 | 0 | 109.5 | ||
| 43 | E | 30.4 | Very low | 34.5 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 136.9 | 169.3 | -62.2 | -97 | 117.5 | 0 | 0 | 110.5 | P45 | E43-P45 WeakPolarHBondContact O-CD 3.45Š|
| 44 | I | 37.3 | Very low | 34.8 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 123.2 | 175 | -59.5 | 166.6 | 0 | 0 | 0 | 108.1 | T46 | I44-T46 HydrophobicContact CG2-CG2 4.48Š|
| 45 | P | 32.1 | Very low | 35 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -88.5 | 107.9 | 159.8 | 30.3 | -25.6 | 0 | 0 | 0 | 109.7 | E43 S47 | E43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-S47 PolarHBondContact O-N 3.15Å | ||
| 46 | T | 34 | Very low | 35.1 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 118.3 | 161.7 | 47.8 | 0 | 0 | 0 | 0 | 109.3 | I44 | I44-T46 HydrophobicContact CG2-CG2 4.48Š| ||
| 47 | S | 30.4 | Very low | 35.5 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -149.4 | 99.1 | 163.1 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | P45 R49 | P45-S47 PolarHBondContact O-N 3.15Å; S47-R49 PolarHBondContact O-N 3.12Å | ||
| 48 | S | 33.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -52.6 | 121.3 | 158.7 | 45 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 49 | R | 36.3 | Very low | 37 | Very low | 227 Ų | 227 | 143.8 Ų | 143.8 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -152.1 | 107.1 | 154.7 | -156.6 | 165.8 | -177.1 | 170.6 | -0.3 | 110.6 | S47 | S47-R49 PolarHBondContact O-N 3.12Š| ||
| 50 | T | 33.3 | Very low | 37.8 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | 13.5 | 111.1 | 153.2 | 55.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 51 | G | 43.3 | Very low | 38.4 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -72.5 | 126.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 52 | E | 41.2 | Very low | 39.5 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -141.4 | 79.9 | 140.6 | -75.2 | -165 | 123.7 | 0 | 0 | 106 | I54 | E52-I54 PolarHBondContact O-N 3.49Å; E52-I54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | E | 37.4 | Very low | 41.4 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | trans | -75.3 | 99.8 | 168.2 | -172.2 | -175 | 104.9 | 0 | 0 | 107.2 | K55 | E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 2.92Å | ||
| 54 | I | 40.6 | Very low | 43.4 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 73% | 0.728 | 68% | 0.676 | S | S | * | * | trans | -60.2 | 100.6 | 162.6 | -45.6 | 170.2 | 0 | 0 | 0 | 105.5 | E52 E56 | E52-I54 PolarHBondContact O-N 3.49Å; E52-I54 VanDerWaalsContact O-N 3.15Å; I54-E56 PolarHBondContact O-N 2.8Å | ||
| 55 | K | 38.8 | Very low | 45.2 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 76% | 0.761 | 66% | 0.663 | S | S | * | * | trans | -67.3 | 83.7 | 167.6 | -74.5 | -177.5 | -179.5 | 179.8 | 0 | 108.3 | E53 P57 | E53-K55 VanDerWaalsContact C-N 3.31Å; E53-K55 PolarHBondContact O-N 2.92Å; K55-P57 WeakPolarHBondContact O-CD 3.49Å | ||
| 56 | E | 34.7 | Very low | 47.3 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | trans | -48.9 | 121.8 | 160.1 | -76.1 | -88.8 | 131 | 0 | 0 | 108.4 | I54 L58 | I54-E56 PolarHBondContact O-N 2.8Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 3.49Å | ||
| 57 | P | 39.5 | Very low | 49.2 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 71% | 0.714 | 62% | 0.617 | S | S | * | * | trans | -76.1 | 85 | 179.5 | 29.5 | -31.9 | 0 | 0 | 0 | 110 | K55 V59 | K55-P57 WeakPolarHBondContact O-CD 3.49Å; P57-V59 PolarHBondContact O-N 2.93Å | ||
| 58 | L | 46.6 | Very low | 51.3 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | trans | -73 | 46.8 | 178.8 | -126.8 | 156 | 0 | 0 | 0 | 112.8 | E56 E61 | E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 3.49Å; L58-E61 HydrophobicContact CD2-CB 4.39Å; L58-E61 HydrophobicContact CD2-CG 4.29Å | ||
| 59 | V | 48.2 | Very low | 53.5 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 69% | 0.691 | 57% | 0.571 | S | S | * | * | trans | -96.7 | -7 | -175.6 | -171 | 0 | 0 | 0 | 0 | 112.7 | P57 | P57-V59 PolarHBondContact O-N 2.93Š| ||
| 60 | K | 49.8 | Very low | 55.5 | Low | 175 Ų | 175 | 107.4 Ų | 107.4 | 76% | 0.761 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -92.8 | -24.8 | -173.9 | -64.5 | 179.1 | -174.8 | 172 | 0 | 114.5 | ||
| 61 | E | 51.7 | Low | 57.3 | Low | 125 Ų | 125 | 102.1 Ų | 102.1 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -23.8 | -175.9 | -60 | -136.1 | 130.4 | 0 | 0 | 113.8 | L58 | L58-E61 HydrophobicContact CD2-CB 4.39Å; L58-E61 HydrophobicContact CD2-CG 4.29Å |
| 62 | N | 57.7 | Low | 58.9 | Low | 82 Ų | 82 | 102 Ų | 102 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 10.2 | -175.4 | -63.7 | -32.8 | 0 | 0 | 0 | 113.1 | S64 T189 | N62-S64 PolarHBondContact O-N 2.82Å; N62-T189 HydrophobicContact CB-CG2 4.24Å; N62-T189 WeakPolarHBondContact O-CG2 3.36Å |
| 63 | S | 73.2 | Confident | 60.4 | Low | 19 Ų | 19 | 95.4 Ų | 95.4 | 13% | 0.133 | 49% | 0.485 | C | S | . | . | trans | -60.1 | 142.9 | 178.6 | -173.5 | 0 | 0 | 0 | 0 | 111 | I65 F66 V67 E191 | S63-I65 PolarHBondContact O-N 2.86Å; S63-F66 PolarHBondContact O-N 2.65Å; S63-V67 PolarHBondContact O-N 3.38Å; S63-V67 VanDerWaalsContact O-N 3.13Å; S63-E191 WeakPolarHBondContact CA-OE1 3.31Å; S63-E191 WeakPolarHBondContact CB-OE1 3.42Å; S63-E191 PolarHBondContact OG-OE1 3.4Å | ||
| 64 | S | 73.1 | Confident | 61.6 | Low | 1 Ų | 1 | 91.9 Ų | 91.9 | 1% | 0.007 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -55.7 | -20.3 | -179.9 | 86.3 | 0 | 0 | 0 | 0 | 113.6 | N62 V68 A182 R186 E191 K193 | N62-S64 PolarHBondContact O-N 2.82Å; S64-V68 WeakPolarHBondContact O-CG2 3.34Å; S64-A182 WeakPolarHBondContact CB-O 3.42Å; S64-R186 PolarHBondContact OG-NE 2.83Å; S64-E191 VanDerWaalsContact CB-OE2 3.31Å; S64-E191 WeakPolarHBondContact CB-OE2 3.41Å; S64-E191 PolarHBondContact N-OE2 3.42Å; S64-E191 PolarHBondContact OG-OE2 3.44Å; S64-K193 PolarHBondContact OG-NZ 2.74Å |
| 65 | I | 74.6 | Confident | 62.7 | Low | 100 Ų | 100 | 87.7 Ų | 87.7 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -81.5 | -44.7 | 179 | -66.8 | 166.4 | 0 | 0 | 0 | 110.5 | S63 V68 A69 | S63-I65 PolarHBondContact O-N 2.86Å; I65-V68 PolarHBondContact O-N 3.4Å; I65-A69 PolarHBondContact O-N 3.03Å |
| 66 | F | 75.4 | Confident | 63.6 | Low | 126 Ų | 126 | 86 Ų | 86 | 55% | 0.553 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.5 | -40.4 | 179.8 | -88.8 | -91.3 | 0 | 0 | 0 | 112 | S63 V68 A69 R70 | S63-F66 PolarHBondContact O-N 2.65Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.14Å; F66-A69 WeakPolarHBondContact O-CB 3.06Å; F66-A69 PolarHBondContact O-N 2.75Å; F66-R70 PolarHBondContact O-N 3.09Å |
| 67 | V | 73.7 | Confident | 64.3 | Low | 12 Ų | 12 | 86.2 Ų | 86.2 | 7% | 0.073 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | S63 A69 R70 I71 Y185 | S63-V67 PolarHBondContact O-N 3.38Å; S63-V67 VanDerWaalsContact O-N 3.13Å; V67-A69 VanDerWaalsContact C-N 3.33Å; V67-A69 PolarHBondContact O-N 3.33Å; V67-R70 PolarHBondContact O-N 3.03Å; V67-I71 HydrophobicContact CG1-CD1 3.77Å; V67-I71 WeakPolarHBondContact O-CG1 3.41Å; V67-I71 PolarHBondContact O-N 3.5Å; V67-Y185 HydrophobicContact CB-CD1 4.43Å; V67-Y185 HydrophobicContact CB-CE1 4.48Å; V67-Y185 HydrophobicContact CB-CG 4.48Å; V67-Y185 HydrophobicContact CG1-CD1 3.99Å; V67-Y185 HydrophobicContact CG1-CD2 3.73Å; V67-Y185 HydrophobicContact CG1-CE1 3.71Å; V67-Y185 HydrophobicContact CG1-CE2 3.42Å; V67-Y185 VanDerWaalsContact CG1-CE2 3.42Å; V67-Y185 HydrophobicContact CG1-CG 3.96Å; V67-Y185 HydrophobicContact CG2-CD1 4.04Å; V67-Y185 HydrophobicContact CG2-CE1 4.07Å |
| 68 | V | 75.3 | Confident | 64.7 | Low | 23 Ų | 23 | 87.8 Ų | 87.8 | 14% | 0.139 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | S64 I65 F66 R70 I71 L72 A182 | S64-V68 WeakPolarHBondContact O-CG2 3.34Å; I65-V68 PolarHBondContact O-N 3.4Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.14Å; V68-R70 VanDerWaalsContact C-N 3.34Å; V68-R70 PolarHBondContact O-N 3.49Å; V68-I71 PolarHBondContact O-N 3.2Å; V68-L72 HydrophobicContact CG1-CD1 3.63Å; V68-L72 HydrophobicContact CG1-CG 4.04Å; V68-L72 WeakPolarHBondContact O-CB 3.37Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3.21Å; V68-A182 HydrophobicContact CG2-CB 3.22Å |
| 69 | A | 79.5 | Confident | 64.4 | Low | 58 Ų | 58 | 86 Ų | 86 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I65 F66 V67 A73 | I65-A69 PolarHBondContact O-N 3.03Å; F66-A69 WeakPolarHBondContact O-CB 3.06Å; F66-A69 PolarHBondContact O-N 2.75Å; V67-A69 VanDerWaalsContact C-N 3.33Å; V67-A69 PolarHBondContact O-N 3.33Å; A69-A73 WeakPolarHBondContact O-CB 3.4Å; A69-A73 PolarHBondContact O-N 2.98Å |
| 70 | R | 78.5 | Confident | 64.1 | Low | 168 Ų | 168 | 85.4 Ų | 85.4 | 63% | 0.634 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.4 | -49.9 | 175.6 | -68.2 | 175.9 | 77.5 | 143.1 | 2 | 111.6 | F66 V67 V68 L72 A73 D74 | F66-R70 PolarHBondContact O-N 3.09Å; V67-R70 PolarHBondContact O-N 3.03Å; V68-R70 VanDerWaalsContact C-N 3.34Å; V68-R70 PolarHBondContact O-N 3.49Å; R70-L72 VanDerWaalsContact C-N 3.35Å; R70-L72 PolarHBondContact O-N 3.29Å; R70-A73 WeakPolarHBondContact O-CB 3.49Å; R70-A73 PolarHBondContact O-N 3.26Å; R70-A73 VanDerWaalsContact O-N 3.09Å; R70-D74 PolarHBondContact O-N 3.31Å |
| 71 | I | 71.7 | Confident | 63.4 | Low | 19 Ų | 19 | 84 Ų | 84 | 10% | 0.097 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.5 | -33.7 | -175.9 | -65.2 | 174.1 | 0 | 0 | 0 | 112.3 | V67 V68 D74 F75 F164 T167 L181 Y185 | V67-I71 HydrophobicContact CG1-CD1 3.77Å; V67-I71 WeakPolarHBondContact O-CG1 3.41Å; V67-I71 PolarHBondContact O-N 3.5Å; V68-I71 PolarHBondContact O-N 3.2Å; I71-D74 PolarHBondContact O-N 3.14Å; I71-F75 WeakPolarHBondContact O-CB 3.37Å; I71-F75 PolarHBondContact O-N 3.13Å; I71-F164 HydrophobicContact CG2-CD1 3.76Å; I71-F164 HydrophobicContact CG2-CE1 4.47Å; I71-T167 HydrophobicContact CD1-CG2 4.3Å; I71-L181 HydrophobicContact CD1-CD2 3.27Å; I71-L181 HydrophobicContact CD1-CG 4.46Å; I71-L181 HydrophobicContact CG1-CD2 4.5Å; I71-L181 HydrophobicContact CG2-CD2 4.22Å; I71-Y185 HydrophobicContact CD1-CE2 4.48Å |
| 72 | L | 76.3 | Confident | 62.6 | Low | 75 Ų | 75 | 81.4 Ų | 81.4 | 39% | 0.393 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.5 | -33.5 | 172.7 | -71.8 | 176.7 | 0 | 0 | 0 | 112.3 | V68 R70 D74 F75 N76 F164 | V68-L72 HydrophobicContact CG1-CD1 3.63Å; V68-L72 HydrophobicContact CG1-CG 4.04Å; V68-L72 WeakPolarHBondContact O-CB 3.37Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3.21Å; R70-L72 VanDerWaalsContact C-N 3.35Å; R70-L72 PolarHBondContact O-N 3.29Å; L72-D74 VanDerWaalsContact C-N 3.33Å; L72-F75 PolarHBondContact O-N 2.87Å; L72-N76 PolarHBondContact O-N 3.4Å; L72-N76 VanDerWaalsContact O-N 3.14Å; L72-F164 HydrophobicContact CD2-CE1 4.14Å |
| 73 | A | 72.9 | Confident | 61.7 | Low | 51 Ų | 51 | 83.4 Ų | 83.4 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A69 R70 Q77 | A69-A73 WeakPolarHBondContact O-CB 3.4Å; A69-A73 PolarHBondContact O-N 2.98Å; R70-A73 WeakPolarHBondContact O-CB 3.49Å; R70-A73 PolarHBondContact O-N 3.26Å; R70-A73 VanDerWaalsContact O-N 3.09Å; A73-Q77 PolarHBondContact O-NE2 3.16Å |
| 74 | D | 62.2 | Low | 59.9 | Low | 88 Ų | 88 | 87.3 Ų | 87.3 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.4 | -39.6 | 175.9 | -61.6 | -28.6 | 0 | 0 | 0 | 111.8 | R70 I71 L72 N76 Q77 | R70-D74 PolarHBondContact O-N 3.31Å; I71-D74 PolarHBondContact O-N 3.14Å; L72-D74 VanDerWaalsContact C-N 3.33Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact O-N 3.33Å; D74-Q77 PolarHBondContact O-N 3.34Å |
| 75 | F | 64 | Low | 58.1 | Low | 54 Ų | 54 | 96.2 Ų | 96.2 | 24% | 0.237 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -66.1 | -32.4 | 179 | -172.9 | -99.8 | 0 | 0 | 0 | 113.1 | I71 L72 Q77 Q78 P163 F164 | I71-F75 WeakPolarHBondContact O-CB 3.37Å; I71-F75 PolarHBondContact O-N 3.13Å; L72-F75 PolarHBondContact O-N 2.87Å; F75-Q77 PolarHBondContact O-N 3.49Å; F75-Q78 PolarHBondContact O-N 3.14Å; F75-P163 HydrophobicContact CD2-CB 4.1Å; F75-P163 HydrophobicContact CE2-CB 3.61Å; F75-P163 HydrophobicContact CE2-CG 4.25Å; F75-F164 HydrophobicContact CB-CE1 4.39Å; F75-F164 HydrophobicContact CD2-CE1 4.31Å; F75-F164 HydrophobicContact CG-CE1 4.16Å |
| 76 | N | 57.3 | Low | 56.9 | Low | 140 Ų | 140 | 98.4 Ų | 98.4 | 75% | 0.749 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -14.2 | 178.2 | -160.5 | 39.4 | 0 | 0 | 0 | 113.2 | L72 D74 | L72-N76 PolarHBondContact O-N 3.4Å; L72-N76 VanDerWaalsContact O-N 3.14Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact O-N 3.33Å |
| 77 | Q | 50.4 | Low | 55.1 | Low | 152 Ų | 152 | 96.1 Ų | 96.1 | 71% | 0.71 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -7.7 | 178 | -64.9 | 174 | 58.6 | 0 | 0 | 113.1 | A73 D74 F75 | A73-Q77 PolarHBondContact O-NE2 3.16Å; D74-Q77 PolarHBondContact O-N 3.34Å; F75-Q77 PolarHBondContact O-N 3.49Å |
| 78 | Q | 47.6 | Very low | 53.4 | Low | 144 Ų | 144 | 105.9 Ų | 105.9 | 67% | 0.673 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -111.2 | 19.2 | -168.2 | -82.3 | 163.2 | 8.9 | 0 | 0 | 115.7 | F75 | F75-Q78 PolarHBondContact O-N 3.14Š|
| 79 | T | 39.7 | Very low | 52 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | trans | -130.4 | 94.7 | 174.3 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 80 | P | 40.9 | Very low | 49.8 | Very low | 101 Ų | 101 | 118 Ų | 118 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -108.9 | -20.2 | 133.1 | -2.6 | 21.3 | 0 | 0 | 0 | 113.1 | ||
| 81 | N | 36.5 | Very low | 47.9 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 79% | 0.786 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -122.6 | 31.1 | -158.1 | -68.6 | -37.2 | 0 | 0 | 0 | 116.2 | ||
| 82 | G | 34.6 | Very low | 46.2 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -102.6 | 14.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 83 | V | 38.6 | Very low | 44.1 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.3 | -1 | -174.4 | -146.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 84 | A | 35.4 | Very low | 42.2 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -0.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 85 | E | 36 | Very low | 40.9 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 13.1 | 179.3 | -141.7 | -164.9 | 119.9 | 0 | 0 | 114.6 | ||
| 86 | Q | 49.4 | Very low | 39.4 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -141.1 | 54.7 | 177.1 | -64.2 | -171.2 | 22.3 | 0 | 0 | 113.2 | ||
| 87 | A | 36.7 | Very low | 38.1 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | trans | -167.3 | 76.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I89 | A87-I89 PolarHBondContact O-N 3.2Š| ||
| 88 | K | 38.8 | Very low | 37.3 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | trans | -81.7 | 78.9 | 145 | -170 | 174.1 | -176.7 | -176 | 0 | 106.4 | ||||
| 89 | I | 45 | Very low | 36.8 | Very low | 145 Ų | 145 | 142 Ų | 142 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -124.8 | 107.9 | 170.4 | -52.9 | 176.5 | 0 | 0 | 0 | 105.9 | A87 | A87-I89 PolarHBondContact O-N 3.2Š| ||
| 90 | K | 32.8 | Very low | 36.4 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 134.6 | -179.7 | -151.7 | 175.9 | 178.1 | -168.9 | 0 | 109.3 | E92 | K90-E92 PolarHBondContact O-N 3.44Š| ||
| 91 | E | 40.2 | Very low | 36 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -35 | 128.1 | 149.9 | -67.6 | -82.5 | 137.9 | 0 | 0 | 110 | ||||
| 92 | E | 34.6 | Very low | 35.9 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 160.6 | 102.1 | 141.5 | -169.3 | 176.7 | 141.7 | 0 | 0 | 109.3 | K90 | K90-E92 PolarHBondContact O-N 3.44Š| ||
| 93 | S | 31.7 | Very low | 35.7 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 177.1 | 73.3 | 136.9 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 94 | T | 33.7 | Very low | 35.4 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -66 | 142.2 | 141.3 | 40.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 95 | P | 36 | Very low | 35.3 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -122.7 | 139.3 | 126.2 | 31.4 | -22.9 | 0 | 0 | 0 | 111.2 | |||||
| 96 | N | 31.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -77.8 | -174.9 | 173 | -131.6 | -69 | 0 | 0 | 0 | 110.5 | ||||
| 97 | L | 30.6 | Very low | 34.6 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 101 | 126 | 173.3 | -50.5 | 177.4 | 0 | 0 | 0 | 113.5 | ||||
| 98 | R | 33.3 | Very low | 34.3 | Very low | 220 Ų | 220 | 144.7 Ų | 144.7 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | cis | -164.4 | 152.3 | -6.7 | -116.6 | 171.9 | -170 | 149.3 | 5.4 | 106.2 | ||||
| 99 | E | 35.9 | Very low | 34 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -58 | 142.9 | 170.2 | -60.9 | -83.8 | 114.2 | 0 | 0 | 111.6 | ||||
| 100 | D | 31.1 | Very low | 33.7 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -155.1 | 114.9 | 140.4 | -86.9 | -44.6 | 0 | 0 | 0 | 108.3 | ||||
| 101 | G | 33.5 | Very low | 34 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -75.5 | 147.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 102 | N | 33.7 | Very low | 34.8 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -156.1 | 131.5 | 138.8 | -113.3 | -16.7 | 0 | 0 | 0 | 112.3 | ||||
| 103 | S | 30.8 | Very low | 35 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -76.5 | 134 | 170.3 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 104 | A | 32 | Very low | 35.7 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -157.5 | 108.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 105 | T | 34.2 | Very low | 36.4 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -58.1 | 153.2 | 155.9 | 48 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 106 | P | 39.7 | Very low | 37 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -143.4 | 134.8 | 111.8 | 27 | -7.6 | 0 | 0 | 0 | 115.5 | |||||
| 107 | T | 30.6 | Very low | 37.9 | Very low | 130 Ų | 130 | 146 Ų | 146 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | 22.1 | 114.9 | 137.8 | 54.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 108 | A | 31.2 | Very low | 38.5 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -94.7 | 113.2 | 162 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 109 | T | 32.8 | Very low | 39.3 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -92.1 | 131.8 | 164.6 | -61.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 110 | S | 36.8 | Very low | 39.8 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | trans | -64.8 | 135 | 173.4 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 111 | D | 40.8 | Very low | 40.5 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | -167.9 | 147.8 | 122.8 | -109 | -42.8 | 0 | 0 | 0 | 112.5 | |||||
| 112 | P | 55.9 | Low | 41.4 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -104.2 | 138.1 | -174.1 | 37.3 | -26.5 | 0 | 0 | 0 | 112.4 | ||||
| 113 | A | 40.1 | Very low | 42.1 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | 163.9 | 125.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 114 | L | 44.8 | Very low | 42.9 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | 167.8 | 107.3 | 111.4 | -84 | 173.9 | 0 | 0 | 0 | 108.3 | Q116 | L114-Q116 PolarHBondContact O-N 3.44Š| |||
| 115 | R | 48.6 | Very low | 43.8 | Very low | 254 Ų | 254 | 153 Ų | 153 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | trans | -69.2 | 115.3 | 167.3 | -84.3 | 176 | 157.2 | -129.7 | -0.7 | 108.6 | ||||
| 116 | Q | 48.3 | Very low | 44.5 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -121.9 | 122.4 | 153.4 | -83.3 | -175.9 | -0.2 | 0 | 0 | 110.5 | L114 G118 | L114-Q116 PolarHBondContact O-N 3.44Å; Q116-G118 PolarHBondContact O-N 3.37Å; Q116-G118 VanDerWaalsContact O-N 3.15Å | ||
| 117 | R | 50.5 | Low | 45.1 | Very low | 254 Ų | 254 | 156.6 Ų | 156.6 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -78.7 | 91.2 | -177.8 | -172.8 | 172.4 | 177.4 | -147.3 | 1.2 | 108.5 | ||||
| 118 | G | 43.9 | Very low | 46.3 | Very low | 66 Ų | 66 | 156.4 Ų | 156.4 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -73.5 | 134.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q116 | Q116-G118 PolarHBondContact O-N 3.37Å; Q116-G118 VanDerWaalsContact O-N 3.15Å | ||
| 119 | K | 50.8 | Low | 47.9 | Very low | 199 Ų | 199 | 156 Ų | 156 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -59.6 | 133.1 | -178 | -61.4 | 172.7 | -179 | 178.3 | 0 | 110.4 | S121 | K119-S121 VanDerWaalsContact C-N 3.32Å; K119-S121 PolarHBondContact O-N 3.13Å | ||
| 120 | R | 45.1 | Very low | 49.3 | Very low | 255 Ų | 255 | 156 Ų | 156 | 96% | 0.962 | 80% | 0.796 | S | S | * | * | trans | -68.4 | 85.1 | 176.7 | -76.2 | -178.9 | 169.2 | -165.1 | -3.5 | 110.8 | ||||
| 121 | S | 45.5 | Very low | 50.9 | Low | 108 Ų | 108 | 157.1 Ų | 157.1 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -70.5 | 128.3 | 156.3 | -51.9 | 0 | 0 | 0 | 0 | 107.5 | K119 G123 | K119-S121 VanDerWaalsContact C-N 3.32Å; K119-S121 PolarHBondContact O-N 3.13Å; S121-G123 PolarHBondContact O-N 3.07Å | ||
| 122 | R | 54.3 | Low | 52.7 | Low | 261 Ų | 261 | 157.9 Ų | 157.9 | 99% | 0.985 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 71.3 | 170.7 | -71.3 | -175.5 | -178.5 | 120 | -2.5 | 109.7 | ||||
| 123 | G | 46.6 | Very low | 54.3 | Low | 69 Ų | 69 | 160.1 Ų | 160.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -95.8 | 84.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S121 | S121-G123 PolarHBondContact O-N 3.07Š| ||
| 124 | R | 47.6 | Very low | 56.7 | Low | 192 Ų | 192 | 158.5 Ų | 158.5 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | trans | -94.1 | 88.9 | 165.3 | -169.4 | -179.3 | -166.8 | -150.8 | -0.6 | 107.8 | E126 | R124-E126 HydrophobicContact CG-CB 4.46Å; R124-E126 IonicContact CZ-OE2 3.27Å; R124-E126 VanDerWaalsContact CZ-OE2 3.27Å; R124-E126 IonicContact NE-OE2 2.83Å; R124-E126 PolarHBondContact NE-OE2 3.22Å; R124-E126 IonicContact NH2-OE2 2.82Å; R124-E126 PolarHBondContact NH2-OE2 2.97Å | ||
| 125 | T | 51 | Low | 59 | Low | 133 Ų | 133 | 157.9 Ų | 157.9 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -112.2 | 67.1 | 149.5 | 44.4 | 0 | 0 | 0 | 0 | 106.7 | Q127 | T125-Q127 PolarHBondContact O-N 2.87Š| ||
| 126 | E | 49.3 | Very low | 61.1 | Low | 132 Ų | 132 | 146.6 Ų | 146.6 | 62% | 0.617 | 71% | 0.712 | S | S | * | * | trans | -65.2 | 110.8 | 146.8 | -78.3 | 178.6 | 117.3 | 0 | 0 | 104.6 | R124 E128 | R124-E126 HydrophobicContact CG-CB 4.46Å; R124-E126 IonicContact CZ-OE2 3.27Å; R124-E126 VanDerWaalsContact CZ-OE2 3.27Å; R124-E126 IonicContact NE-OE2 2.83Å; R124-E126 PolarHBondContact NE-OE2 3.22Å; R124-E126 IonicContact NH2-OE2 2.82Å; R124-E126 PolarHBondContact NH2-OE2 2.97Å; E126-E128 VanDerWaalsContact C-N 3.33Å; E126-E128 PolarHBondContact O-N 3.4Å | ||
| 127 | Q | 51.8 | Low | 63.2 | Low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -58.8 | 103.7 | 165.3 | -71.6 | 174.2 | 2 | 0 | 0 | 106.3 | T125 | T125-Q127 PolarHBondContact O-N 2.87Š| ||
| 128 | E | 57.3 | Low | 65.1 | Low | 126 Ų | 126 | 137.7 Ų | 137.7 | 59% | 0.589 | 68% | 0.681 | S | S | * | * | trans | -50 | 125.7 | 166 | -81.5 | -88.5 | 134.5 | 0 | 0 | 107.3 | E126 Q131 | E126-E128 VanDerWaalsContact C-N 3.33Å; E126-E128 PolarHBondContact O-N 3.4Å; E128-Q131 PolarHBondContact OE2-NE2 3.48Å; E128-Q131 VanDerWaalsContact OE2-NE2 3.17Å | ||
| 129 | P | 64.2 | Low | 67.4 | Low | 98 Ų | 98 | 140.1 Ų | 140.1 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | -54.5 | 143.1 | 178.4 | 20.1 | -30.3 | 0 | 0 | 0 | 109.3 | Q131 | P129-Q131 PolarHBondContact O-N 3.06Š| ||
| 130 | P | 63.1 | Low | 69.3 | Low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 69% | 0.688 | S | S | * | * | trans | -55 | 107.2 | -172.5 | 19.2 | -30.5 | 0 | 0 | 0 | 110 | K132 | P130-K132 PolarHBondContact O-N 3.05Š| ||
| 131 | Q | 69.4 | Low | 71.5 | Confident | 120 Ų | 120 | 123.5 Ų | 123.5 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | trans | -65.2 | 114.2 | 179.1 | -64.1 | -161.3 | 1.3 | 0 | 0 | 108 | E128 P129 K133 | E128-Q131 PolarHBondContact OE2-NE2 3.48Å; E128-Q131 VanDerWaalsContact OE2-NE2 3.17Å; P129-Q131 PolarHBondContact O-N 3.06Å; Q131-K133 PolarHBondContact O-N 2.89Å; Q131-K133 VanDerWaalsContact O-N 3.1Å | ||
| 132 | K | 78.7 | Confident | 73.7 | Confident | 174 Ų | 174 | 127.2 Ų | 127.2 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | trans | -58 | 116.5 | 178.7 | -172.3 | 174.4 | -177.8 | 175.7 | 0 | 108.9 | P130 H134 | P130-K132 PolarHBondContact O-N 3.05Å; K132-H134 PolarHBondContact O-CD2 2.98Å; K132-H134 PolarHBondContact O-NE2 3.49Å | ||
| 133 | K | 90.3 | Very high | 75.6 | Confident | 161 Ų | 161 | 120.2 Ų | 120.2 | 70% | 0.7 | 63% | 0.631 | S | S | * | * | trans | -74.9 | 142.9 | 178.6 | -65.2 | -176.7 | -177.6 | 178.3 | 0 | 110.6 | Q131 V144 | Q131-K133 PolarHBondContact O-N 2.89Å; Q131-K133 VanDerWaalsContact O-N 3.1Å; K133-V144 HydrophobicContact CB-CG1 3.72Å; K133-V144 HydrophobicContact CD-CG1 4.14Å; K133-V144 HydrophobicContact CG-CG1 4.37Å | ||
| 134 | H | 90.6 | Very high | 77.7 | Confident | 55 Ų | 55 | 120.3 Ų | 120.3 | 26% | 0.255 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 108.4 | -179.2 | -62.2 | -84.8 | 0 | 0 | 0 | 110 | K132 Y145 S148 L151 | K132-H134 PolarHBondContact O-CD2 2.98Å; K132-H134 PolarHBondContact O-NE2 3.49Å; H134-Y145 PolarHBondContact N-O 3.49Å; H134-Y145 PolarHBondContact O-N 3.35Å; H134-S148 PolarHBondContact CD2-N 3.28Å; H134-S148 PolarHBondContact NE2-N 3.42Å; H134-S148 VanDerWaalsContact NE2-N 3.2Å; H134-L151 HydrophobicContact CB-CB 3.93Å; H134-L151 HydrophobicContact CB-CD2 3.74Å; H134-L151 HydrophobicContact CB-CG 4.43Å |
| 135 | K | 92.3 | Very high | 79.8 | Confident | 154 Ų | 154 | 113.5 Ų | 113.5 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 146.5 | -178.6 | -56.5 | -171.1 | 177.2 | -179.1 | 0 | 111.1 | V144 L151 | K135-V144 HydrophobicContact CB-CG2 4.42Å; K135-V144 HydrophobicContact CD-CG2 4.41Å; K135-V144 HydrophobicContact CG-CG1 4.03Å; K135-V144 HydrophobicContact CG-CG2 3.87Å; K135-L151 WeakPolarHBondContact O-CD2 3.31Å |
| 136 | C | 92.8 | Very high | 81.7 | Confident | 17 Ų | 17 | 109.2 Ų | 109.2 | 12% | 0.115 | 57% | 0.574 | C | S | . | * | trans | -66.4 | 140.9 | 166.5 | -163.6 | 0 | 0 | 0 | 0 | 110.1 | C141 K143 L151 H154 | C136-C141 HydrophobicContact CB-CB 4.24Å; C136-K143 PolarHBondContact N-O 3.32Å; C136-L151 HydrophobicContact CB-CD1 4.22Å; C136-H154 PolarHBondContact SG-NE2 3.04Å | ||
| 137 | N | 91.6 | Very high | 83.6 | Confident | 131 Ų | 131 | 108.6 Ų | 108.6 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | trans | -101.3 | -1.7 | 178.4 | 64.8 | -15.6 | 0 | 0 | 0 | 112.8 | ||||
| 138 | Y | 90 | Very high | 85.3 | Confident | 125 Ų | 125 | 103.2 Ų | 103.2 | 49% | 0.49 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -75 | 135 | -178.5 | -146.6 | -92.1 | 0 | 0 | 0 | 110.7 | G140 C141 H158 | Y138-G140 PolarHBondContact O-N 3.39Å; Y138-C141 WeakPolarHBondContact O-CB 3.23Å; Y138-C141 PolarHBondContact O-N 3.16Å; Y138-H158 HydrophobicContact CD1-CB 4.42Å; Y138-H158 AromaticContact CD1-CE1 3.83Å; Y138-H158 AromaticContact CD1-CG 3.94Å; Y138-H158 AromaticContact CD1-ND1 3.38Å; Y138-H158 WeakPolarHBondContact CD1-ND1 3.41Å; Y138-H158 HydrophobicContact CD2-CB 3.65Å; Y138-H158 AromaticContact CD2-CG 3.76Å; Y138-H158 HydrophobicContact CE1-CB 4.46Å; Y138-H158 AromaticContact CE1-ND1 3.83Å; Y138-H158 HydrophobicContact CE2-CB 3.72Å; Y138-H158 HydrophobicContact CG-CB 4.02Å; Y138-H158 AromaticContact CG-CE1 3.89Å; Y138-H158 AromaticContact CG-CG 3.59Å; Y138-H158 AromaticContact CG-ND1 3.5Å |
| 139 | S | 92.8 | Very high | 86.5 | Confident | 118 Ų | 118 | 100.8 Ų | 100.8 | 83% | 0.825 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 131.3 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | C141 | S139-C141 VanDerWaalsContact C-N 3.31Å; S139-C141 PolarHBondContact O-N 3.3Å |
| 140 | G | 90.3 | Very high | 87.6 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 87% | 0.866 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 8.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y138 | Y138-G140 PolarHBondContact O-N 3.39Š|
| 141 | C | 91.7 | Very high | 88.8 | Confident | 20 Ų | 20 | 95.8 Ų | 95.8 | 14% | 0.135 | 51% | 0.506 | C | S | . | . | trans | -114.2 | 108.4 | 175.9 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | C136 Y138 S139 K143 H154 H158 | C136-C141 HydrophobicContact CB-CB 4.24Å; Y138-C141 WeakPolarHBondContact O-CB 3.23Å; Y138-C141 PolarHBondContact O-N 3.16Å; S139-C141 VanDerWaalsContact C-N 3.31Å; S139-C141 PolarHBondContact O-N 3.3Å; C141-K143 PolarHBondContact O-N 2.75Å; C141-H154 PolarHBondContact SG-NE2 3.18Å; C141-H158 PolarHBondContact SG-NE2 3.29Å; C141-H158 VanDerWaalsContact SG-NE2 3.39Å | ||
| 142 | E | 92.3 | Very high | 89.7 | Confident | 187 Ų | 187 | 95.8 Ų | 95.8 | 87% | 0.874 | 50% | 0.504 | S | S | * | . | trans | -94.8 | 16.2 | -177.8 | -61.4 | -175.6 | 166.8 | 0 | 0 | 113.8 | ||||
| 143 | K | 93 | Very high | 89.9 | Confident | 114 Ų | 114 | 88.6 Ų | 88.6 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | trans | -73.5 | 134.2 | -174.6 | -65.3 | -175 | -173.8 | 173.4 | 0 | 111.9 | C136 C141 Y145 | C136-K143 PolarHBondContact N-O 3.32Å; C141-K143 PolarHBondContact O-N 2.75Å; K143-Y145 HydrophobicContact CB-CE2 3.71Å; K143-Y145 WeakPolarHBondContact CB-OH 3.34Å; K143-Y145 VanDerWaalsContact CD-OH 3.23Å; K143-Y145 WeakPolarHBondContact CD-OH 3.43Å | ||
| 144 | V | 92.6 | Very high | 89.8 | Confident | 71 Ų | 71 | 81.5 Ų | 81.5 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.3 | 179.6 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | K133 K135 | K133-V144 HydrophobicContact CB-CG1 3.72Å; K133-V144 HydrophobicContact CD-CG1 4.14Å; K133-V144 HydrophobicContact CG-CG1 4.37Å; K135-V144 HydrophobicContact CB-CG2 4.42Å; K135-V144 HydrophobicContact CD-CG2 4.41Å; K135-V144 HydrophobicContact CG-CG1 4.03Å; K135-V144 HydrophobicContact CG-CG2 3.87Å |
| 145 | Y | 91.5 | Very high | 89.7 | Confident | 49 Ų | 49 | 81.2 Ų | 81.2 | 19% | 0.192 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.3 | -174.8 | -58.8 | -86.5 | 0 | 0 | 0 | 110.9 | H134 K143 K147 H150 L151 H154 | H134-Y145 PolarHBondContact N-O 3.49Å; H134-Y145 PolarHBondContact O-N 3.35Å; K143-Y145 HydrophobicContact CB-CE2 3.71Å; K143-Y145 WeakPolarHBondContact CB-OH 3.34Å; K143-Y145 VanDerWaalsContact CD-OH 3.23Å; K143-Y145 WeakPolarHBondContact CD-OH 3.43Å; Y145-K147 PolarHBondContact O-N 3.31Å; Y145-H150 HydrophobicContact CD1-CB 3.72Å; Y145-H150 HydrophobicContact CG-CB 4.12Å; Y145-L151 HydrophobicContact CD2-CB 3.95Å; Y145-L151 HydrophobicContact CD2-CD1 3.89Å; Y145-L151 HydrophobicContact CE2-CD1 4.13Å; Y145-L151 HydrophobicContact CG-CB 4.32Å; Y145-H154 HydrophobicContact CE1-CB 4.12Å; Y145-H154 HydrophobicContact CE2-CB 3.75Å; Y145-H154 AromaticContact CE2-CD2 3.28Å; Y145-H154 WeakPolarHBondContact CE2-CD2 3.26Å; Y145-H154 AromaticContact CE2-CG 3.63Å; Y145-H154 VanDerWaalsContact CZ-CB 3.44Å; Y145-H154 AromaticContact CZ-CD2 3.58Å; Y145-H154 AromaticContact CZ-CG 3.44Å; Y145-H154 VanDerWaalsContact CZ-CG 3.44Å; Y145-H154 VanDerWaalsContact OH-CB 3.25Å; Y145-H154 WeakPolarHBondContact OH-CB 3.29Å; Y145-H154 PolarHBondContact OH-CD2 2.93Å; Y145-H154 PolarHBondContact OH-ND1 2.95Å |
| 146 | G | 90.9 | Very high | 89.5 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 43% | 0.433 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -74.2 | -11.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 147 | K | 88.8 | Confident | 89.2 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 52% | 0.522 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -134 | 137.7 | -178.2 | -62.4 | -175.2 | -178.6 | -176.5 | 0 | 111.2 | Y145 S149 H150 L151 | Y145-K147 PolarHBondContact O-N 3.31Å; K147-S149 VanDerWaalsContact C-N 3.27Å; K147-S149 PolarHBondContact O-N 3.11Å; K147-H150 PolarHBondContact O-N 2.9Å; K147-H150 VanDerWaalsContact O-N 3.11Å; K147-L151 PolarHBondContact O-N 3.06Å |
| 148 | S | 86.6 | Confident | 89.1 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 49% | 0.49 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.2 | -39.6 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | H134 H150 L151 K152 | H134-S148 PolarHBondContact CD2-N 3.28Å; H134-S148 PolarHBondContact NE2-N 3.42Å; H134-S148 VanDerWaalsContact NE2-N 3.2Å; S148-H150 VanDerWaalsContact C-N 3.27Å; S148-H150 PolarHBondContact O-N 2.81Å; S148-L151 PolarHBondContact O-N 3.39Å; S148-K152 PolarHBondContact O-N 3.4Å |
| 149 | S | 84.1 | Confident | 89 | Confident | 75 Ų | 75 | 72 Ų | 72 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -35.1 | 177.7 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | K147 A153 | K147-S149 VanDerWaalsContact C-N 3.27Å; K147-S149 PolarHBondContact O-N 3.11Å; S149-A153 WeakPolarHBondContact O-CB 3.44Å; S149-A153 PolarHBondContact O-N 2.9Å |
| 150 | H | 86.8 | Confident | 88.7 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.3 | -39.6 | 176.4 | -64.1 | 174.7 | 0 | 0 | 0 | 111.6 | Y145 K147 S148 A153 H154 | Y145-H150 HydrophobicContact CD1-CB 3.72Å; Y145-H150 HydrophobicContact CG-CB 4.12Å; K147-H150 PolarHBondContact O-N 2.9Å; K147-H150 VanDerWaalsContact O-N 3.11Å; S148-H150 VanDerWaalsContact C-N 3.27Å; S148-H150 PolarHBondContact O-N 2.81Å; H150-A153 PolarHBondContact O-N 3.05Å; H150-H154 WeakPolarHBondContact O-CB 3.49Å; H150-H154 PolarHBondContact O-N 2.91Å |
| 151 | L | 88.5 | Confident | 88.6 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 171.8 | 173.4 | 61.7 | 0 | 0 | 0 | 110.4 | H134 K135 C136 Y145 K147 S148 A153 H154 L155 | H134-L151 HydrophobicContact CB-CB 3.93Å; H134-L151 HydrophobicContact CB-CD2 3.74Å; H134-L151 HydrophobicContact CB-CG 4.43Å; K135-L151 WeakPolarHBondContact O-CD2 3.31Å; C136-L151 HydrophobicContact CB-CD1 4.22Å; Y145-L151 HydrophobicContact CD2-CB 3.95Å; Y145-L151 HydrophobicContact CD2-CD1 3.89Å; Y145-L151 HydrophobicContact CE2-CD1 4.13Å; Y145-L151 HydrophobicContact CG-CB 4.32Å; K147-L151 PolarHBondContact O-N 3.06Å; S148-L151 PolarHBondContact O-N 3.39Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 3.35Å; L151-H154 CarbonylContact O-C 3.51Å; L151-H154 WeakPolarHBondContact O-CA 3.47Å; L151-H154 WeakPolarHBondContact O-CB 3.47Å; L151-H154 PolarHBondContact O-N 2.94Å; L151-L155 HydrophobicContact CD1-CD2 4.24Å; L151-L155 HydrophobicContact CD1-CG 4.15Å; L151-L155 HydrophobicContact CG-CD1 4.38Å; L151-L155 HydrophobicContact CG-CG 4.39Å; L151-L155 WeakPolarHBondContact O-CG 3.15Å; L151-L155 PolarHBondContact O-N 3.18Å |
| 152 | K | 86.6 | Confident | 88.5 | Confident | 120 Ų | 120 | 75.9 Ų | 75.9 | 52% | 0.522 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 178 | -170.7 | 173 | -170.9 | 173.7 | 0 | 112.1 | S148 H154 L155 | S148-K152 PolarHBondContact O-N 3.4Å; K152-H154 VanDerWaalsContact C-N 3.31Å; K152-H154 PolarHBondContact O-N 2.85Å; K152-L155 PolarHBondContact O-N 3.38Å |
| 153 | A | 84.9 | Confident | 88.2 | Confident | 23 Ų | 23 | 69 Ų | 69 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S149 H150 L151 R156 R177 | S149-A153 WeakPolarHBondContact O-CB 3.44Å; S149-A153 PolarHBondContact O-N 2.9Å; H150-A153 PolarHBondContact O-N 3.05Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 3.35Å; A153-R156 WeakPolarHBondContact O-CB 3.37Å; A153-R177 HydrophobicContact CB-CG 4.4Å |
| 154 | H | 87.4 | Confident | 88 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | 175.1 | 165.2 | 53.8 | 0 | 0 | 0 | 112.9 | C136 C141 Y145 H150 L151 K152 R156 T157 H158 | C136-H154 PolarHBondContact SG-NE2 3.04Å; C141-H154 PolarHBondContact SG-NE2 3.18Å; Y145-H154 HydrophobicContact CE1-CB 4.12Å; Y145-H154 HydrophobicContact CE2-CB 3.75Å; Y145-H154 AromaticContact CE2-CD2 3.28Å; Y145-H154 WeakPolarHBondContact CE2-CD2 3.26Å; Y145-H154 AromaticContact CE2-CG 3.63Å; Y145-H154 VanDerWaalsContact CZ-CB 3.44Å; Y145-H154 AromaticContact CZ-CD2 3.58Å; Y145-H154 AromaticContact CZ-CG 3.44Å; Y145-H154 VanDerWaalsContact CZ-CG 3.44Å; Y145-H154 VanDerWaalsContact OH-CB 3.25Å; Y145-H154 WeakPolarHBondContact OH-CB 3.29Å; Y145-H154 PolarHBondContact OH-CD2 2.93Å; Y145-H154 PolarHBondContact OH-ND1 2.95Å; H150-H154 WeakPolarHBondContact O-CB 3.49Å; H150-H154 PolarHBondContact O-N 2.91Å; L151-H154 CarbonylContact O-C 3.51Å; L151-H154 WeakPolarHBondContact O-CA 3.47Å; L151-H154 WeakPolarHBondContact O-CB 3.47Å; L151-H154 PolarHBondContact O-N 2.94Å; K152-H154 VanDerWaalsContact C-N 3.31Å; K152-H154 PolarHBondContact O-N 2.85Å; H154-R156 PolarHBondContact O-N 2.6Å; H154-R156 VanDerWaalsContact O-N 3.08Å; H154-T157 PolarHBondContact CE1-OG1 3.32Å; H154-T157 PolarHBondContact ND1-OG1 2.87Å; H154-T157 WeakPolarHBondContact O-CB 3.46Å; H154-T157 WeakPolarHBondContact O-CG2 3.35Å; H154-T157 PolarHBondContact O-N 3.25Å; H154-T157 PolarHBondContact O-OG1 3.04Å; H154-H158 AromaticContact CE1-CD2 3.81Å; H154-H158 AromaticContact CE1-NE2 3.25Å; H154-H158 PolarHBondContact CE1-NE2 3.39Å; H154-H158 AromaticContact NE2-CD2 3.9Å; H154-H158 AromaticContact NE2-NE2 3.35Å; H154-H158 PolarHBondContact NE2-NE2 3.3Å |
| 155 | L | 87.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.3 | -28.7 | 179.3 | -69.3 | 175.8 | 0 | 0 | 0 | 112.2 | L151 K152 T157 H158 T159 | L151-L155 HydrophobicContact CD1-CD2 4.24Å; L151-L155 HydrophobicContact CD1-CG 4.15Å; L151-L155 HydrophobicContact CG-CD1 4.38Å; L151-L155 HydrophobicContact CG-CG 4.39Å; L151-L155 WeakPolarHBondContact O-CG 3.15Å; L151-L155 PolarHBondContact O-N 3.18Å; K152-L155 PolarHBondContact O-N 3.38Å; L155-T157 PolarHBondContact O-N 3.3Å; L155-H158 WeakPolarHBondContact O-CB 3.32Å; L155-H158 PolarHBondContact O-N 3.44Å; L155-T159 PolarHBondContact O-N 2.84Å; L155-T159 VanDerWaalsContact O-N 3.09Å |
| 156 | R | 88.6 | Confident | 87.7 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -21.4 | 172.2 | -60.9 | 179 | 176.4 | 154.8 | -1.2 | 114.2 | A153 H154 H158 T159 G160 E161 A176 | A153-R156 WeakPolarHBondContact O-CB 3.37Å; H154-R156 PolarHBondContact O-N 2.6Å; H154-R156 VanDerWaalsContact O-N 3.08Å; R156-H158 VanDerWaalsContact C-N 3.26Å; R156-T159 WeakPolarHBondContact CA-OG1 3.33Å; R156-G160 WeakPolarHBondContact O-CA 3.46Å; R156-G160 PolarHBondContact O-N 3.17Å; R156-E161 HydrophobicContact CG-CB 4.27Å; R156-A176 HydrophobicContact CB-CB 4.19Å; R156-A176 VanDerWaalsContact CD-O 3.28Å; R156-A176 WeakPolarHBondContact CD-O 3.22Å; R156-A176 PolarHBondContact NH1-O 2.88Å |
| 157 | T | 87.1 | Confident | 87.6 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -74.4 | -20.4 | 173.6 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | H154 L155 | H154-T157 PolarHBondContact CE1-OG1 3.32Å; H154-T157 PolarHBondContact ND1-OG1 2.87Å; H154-T157 WeakPolarHBondContact O-CB 3.46Å; H154-T157 WeakPolarHBondContact O-CG2 3.35Å; H154-T157 PolarHBondContact O-N 3.25Å; H154-T157 PolarHBondContact O-OG1 3.04Å; L155-T157 PolarHBondContact O-N 3.3Å |
| 158 | H | 88.8 | Confident | 87.5 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -90.2 | -44.4 | 174 | -66.4 | -69.1 | 0 | 0 | 0 | 111.3 | Y138 C141 H154 L155 R156 G160 | Y138-H158 HydrophobicContact CD1-CB 4.42Å; Y138-H158 AromaticContact CD1-CE1 3.83Å; Y138-H158 AromaticContact CD1-CG 3.94Å; Y138-H158 AromaticContact CD1-ND1 3.38Å; Y138-H158 WeakPolarHBondContact CD1-ND1 3.41Å; Y138-H158 HydrophobicContact CD2-CB 3.65Å; Y138-H158 AromaticContact CD2-CG 3.76Å; Y138-H158 HydrophobicContact CE1-CB 4.46Å; Y138-H158 AromaticContact CE1-ND1 3.83Å; Y138-H158 HydrophobicContact CE2-CB 3.72Å; Y138-H158 HydrophobicContact CG-CB 4.02Å; Y138-H158 AromaticContact CG-CE1 3.89Å; Y138-H158 AromaticContact CG-CG 3.59Å; Y138-H158 AromaticContact CG-ND1 3.5Å; C141-H158 PolarHBondContact SG-NE2 3.29Å; C141-H158 VanDerWaalsContact SG-NE2 3.39Å; H154-H158 AromaticContact CE1-CD2 3.81Å; H154-H158 AromaticContact CE1-NE2 3.25Å; H154-H158 PolarHBondContact CE1-NE2 3.39Å; H154-H158 AromaticContact NE2-CD2 3.9Å; H154-H158 AromaticContact NE2-NE2 3.35Å; H154-H158 PolarHBondContact NE2-NE2 3.3Å; L155-H158 WeakPolarHBondContact O-CB 3.32Å; L155-H158 PolarHBondContact O-N 3.44Å; R156-H158 VanDerWaalsContact C-N 3.26Å; H158-G160 VanDerWaalsContact C-N 3.35Å |
| 159 | T | 87.5 | Confident | 87.6 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79 | -19.1 | -178.6 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | L155 R156 E161 | L155-T159 PolarHBondContact O-N 2.84Å; L155-T159 VanDerWaalsContact O-N 3.09Å; R156-T159 WeakPolarHBondContact CA-OG1 3.33Å; T159-E161 PolarHBondContact O-N 2.81Å; T159-E161 WeakPolarHBondContact OG1-CG 3.47Å; T159-E161 PolarHBondContact OG1-N 3.09Å |
| 160 | G | 86.7 | Confident | 87.9 | Confident | 49 Ų | 49 | 68 Ų | 68 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | trans | 74.9 | 4.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R156 H158 R162 | R156-G160 WeakPolarHBondContact O-CA 3.46Å; R156-G160 PolarHBondContact O-N 3.17Å; H158-G160 VanDerWaalsContact C-N 3.35Å; G160-R162 PolarHBondContact O-N 3.08Å | ||
| 161 | E | 88.3 | Confident | 88.1 | Confident | 102 Ų | 102 | 64 Ų | 64 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | trans | -59 | 131.7 | 178.8 | -77.2 | -178.2 | -172.6 | 0 | 0 | 112.2 | R156 T159 | R156-E161 HydrophobicContact CG-CB 4.27Å; T159-E161 PolarHBondContact O-N 2.81Å; T159-E161 WeakPolarHBondContact OG1-CG 3.47Å; T159-E161 PolarHBondContact OG1-N 3.09Å | ||
| 162 | R | 88.7 | Confident | 88.2 | Confident | 154 Ų | 154 | 68.4 Ų | 68.4 | 58% | 0.581 | 38% | 0.381 | S | S | * | . | trans | -129 | 77.9 | 178.2 | -68.3 | 170.2 | 177.4 | -130.3 | 9.8 | 110.6 | G160 F164 K174 F175 | G160-R162 PolarHBondContact O-N 3.08Å; R162-F164 PolarHBondContact O-N 3.44Å; R162-K174 HydrophobicContact CB-CB 3.63Å; R162-K174 WeakPolarHBondContact CD-O 3.04Å; R162-K174 PolarHBondContact NH1-O 3.48Å; R162-F175 CarbonylContact C-O 3.28Å; R162-F175 VanDerWaalsContact C-O 3.28Å; R162-F175 VanDerWaalsContact CA-O 3.29Å; R162-F175 WeakPolarHBondContact CA-O 3.31Å | ||
| 163 | P | 87 | Confident | 88.5 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | trans | -72.7 | -8.8 | -172.2 | -17 | 32.4 | 0 | 0 | 0 | 114.3 | F75 P165 | F75-P163 HydrophobicContact CD2-CB 4.1Å; F75-P163 HydrophobicContact CE2-CB 3.61Å; F75-P163 HydrophobicContact CE2-CG 4.25Å; P163-P165 WeakPolarHBondContact O-CD 3.48Å | ||
| 164 | F | 88.1 | Confident | 88.8 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 86.8 | -174.2 | -57.2 | -70 | 0 | 0 | 0 | 110.2 | I71 L72 F75 R162 F175 A176 L181 | I71-F164 HydrophobicContact CG2-CD1 3.76Å; I71-F164 HydrophobicContact CG2-CE1 4.47Å; L72-F164 HydrophobicContact CD2-CE1 4.14Å; F75-F164 HydrophobicContact CB-CE1 4.39Å; F75-F164 HydrophobicContact CD2-CE1 4.31Å; F75-F164 HydrophobicContact CG-CE1 4.16Å; R162-F164 PolarHBondContact O-N 3.44Å; F164-F175 HydrophobicContact CB-CB 4.37Å; F164-F175 WeakPolarHBondContact CB-O 3.44Å; F164-F175 PolarHBondContact N-O 3.49Å; F164-F175 VanDerWaalsContact N-O 3.14Å; F164-F175 PolarHBondContact O-N 3.09Å; F164-A176 WeakPolarHBondContact CE2-O 3.33Å; F164-L181 HydrophobicContact CB-CB 4.22Å; F164-L181 HydrophobicContact CB-CD2 3.93Å |
| 165 | P | 88.9 | Confident | 88.9 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 148.9 | 175 | 31.8 | -35.4 | 0 | 0 | 0 | 111.5 | P163 K174 L181 | P163-P165 WeakPolarHBondContact O-CD 3.48Å; P165-K174 HydrophobicContact CB-CG 4.2Å; P165-L181 WeakPolarHBondContact O-CD2 3.42Å |
| 166 | C | 89.8 | Confident | 88.9 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 9% | 0.088 | 39% | 0.394 | C | S | . | . | trans | -73.1 | 131.3 | 161.4 | -167 | 0 | 0 | 0 | 0 | 109.1 | W168 C171 K173 L181 Y185 | C166-W168 VanDerWaalsContact SG-CB 3.57Å; C166-C171 HydrophobicContact CB-CB 4.25Å; C166-K173 WeakPolarHBondContact CB-O 3.33Å; C166-K173 PolarHBondContact N-O 3.28Å; C166-L181 HydrophobicContact CB-CD1 4.1Å; C166-Y185 HydrophobicContact CB-CE2 4.49Å | ||
| 167 | T | 88.3 | Confident | 88.7 | Confident | 98 Ų | 98 | 75 Ų | 75 | 60% | 0.601 | 41% | 0.405 | S | S | * | . | trans | -96.2 | 8.1 | 175.4 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | I71 Y185 | I71-T167 HydrophobicContact CD1-CG2 4.3Å; T167-Y185 WeakPolarHBondContact CA-OH 3.43Å; T167-Y185 VanDerWaalsContact CB-OH 3.31Å; T167-Y185 WeakPolarHBondContact CB-OH 3.34Å; T167-Y185 PolarHBondContact N-OH 2.89Å; T167-Y185 PolarHBondContact OG1-OH 3.36Å | ||
| 168 | W | 87.6 | Confident | 88.7 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 31% | 0.311 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -70 | 129.3 | 172.8 | -163.9 | -81.4 | 0 | 0 | 0 | 108.8 | C166 D170 C171 Y185 H188 T189 | C166-W168 VanDerWaalsContact SG-CB 3.57Å; W168-D170 VanDerWaalsContact C-N 3.28Å; W168-D170 PolarHBondContact O-N 3.01Å; W168-D170 VanDerWaalsContact O-N 3.12Å; W168-C171 HydrophobicContact CB-CB 3.86Å; W168-C171 PolarHBondContact O-N 2.91Å; W168-Y185 HydrophobicContact CE3-CE1 4.38Å; W168-H188 AromaticContact CD1-CE1 3.82Å; W168-H188 AromaticContact CD1-ND1 3.61Å; W168-H188 HydrophobicContact CD2-CB 3.58Å; W168-H188 AromaticContact CD2-CG 3.53Å; W168-H188 AromaticContact CD2-ND1 3.62Å; W168-H188 AromaticContact CE2-CG 3.99Å; W168-H188 AromaticContact CE2-ND1 3.77Å; W168-H188 HydrophobicContact CE3-CB 3.36Å; W168-H188 AromaticContact CE3-CG 3.74Å; W168-H188 HydrophobicContact CG-CB 4.32Å; W168-H188 AromaticContact CG-CE1 3.75Å; W168-H188 AromaticContact CG-CG 3.74Å; W168-H188 AromaticContact CG-ND1 3.52Å; W168-H188 HydrophobicContact CH2-CB 3.79Å; W168-H188 HydrophobicContact CZ2-CB 3.99Å; W168-H188 HydrophobicContact CZ3-CB 3.48Å; W168-H188 VanDerWaalsContact CZ3-CB 3.48Å; W168-H188 AromaticContact NE1-ND1 3.76Å; W168-T189 HydrophobicContact CZ3-CG2 4.2Å |
| 169 | P | 87.3 | Confident | 88.5 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 75% | 0.753 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -42 | -167.5 | -30.1 | 35 | 0 | 0 | 0 | 114.8 | C171 | P169-C171 VanDerWaalsContact C-N 3.35Å; P169-C171 PolarHBondContact O-N 3.31Å |
| 170 | D | 90.3 | Very high | 88.5 | Confident | 150 Ų | 150 | 72.5 Ų | 72.5 | 80% | 0.802 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 17.8 | -176.5 | -43.9 | -44.7 | 0 | 0 | 0 | 112.8 | W168 | W168-D170 VanDerWaalsContact C-N 3.28Å; W168-D170 PolarHBondContact O-N 3.01Å; W168-D170 VanDerWaalsContact O-N 3.12Å |
| 171 | C | 91.7 | Very high | 88.6 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 10% | 0.095 | 37% | 0.365 | C | S | . | . | trans | -125.6 | 111.4 | -176.5 | -168.1 | 0 | 0 | 0 | 0 | 112.4 | C166 W168 P169 K173 H184 H188 | C166-C171 HydrophobicContact CB-CB 4.25Å; W168-C171 HydrophobicContact CB-CB 3.86Å; W168-C171 PolarHBondContact O-N 2.91Å; P169-C171 VanDerWaalsContact C-N 3.35Å; P169-C171 PolarHBondContact O-N 3.31Å; C171-K173 VanDerWaalsContact C-N 3.34Å; C171-K173 PolarHBondContact O-N 2.98Å; C171-H184 PolarHBondContact SG-NE2 3.21Å; C171-H188 PolarHBondContact SG-NE2 3.19Å | ||
| 172 | S | 91.8 | Very high | 88.6 | Confident | 117 Ų | 117 | 66 Ų | 66 | 82% | 0.818 | 35% | 0.347 | S | S | * | . | trans | -92.9 | 13.9 | 177.8 | -43.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 173 | K | 92.1 | Very high | 88.6 | Confident | 109 Ų | 109 | 63.2 Ų | 63.2 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | trans | -73.2 | 136.6 | -174.3 | -69.5 | 178 | -179.3 | 173.5 | 0 | 111.5 | C166 C171 F175 | C166-K173 WeakPolarHBondContact CB-O 3.33Å; C166-K173 PolarHBondContact N-O 3.28Å; C171-K173 VanDerWaalsContact C-N 3.34Å; C171-K173 PolarHBondContact O-N 2.98Å; K173-F175 HydrophobicContact CB-CE2 3.79Å; K173-F175 HydrophobicContact CB-CZ 3.94Å | ||
| 174 | K | 92.1 | Very high | 88.7 | Confident | 119 Ų | 119 | 62.1 Ų | 62.1 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.7 | 176.2 | -53.3 | -176.1 | -179.6 | 177.3 | 0 | 111.3 | R162 P165 | R162-K174 HydrophobicContact CB-CB 3.63Å; R162-K174 WeakPolarHBondContact CD-O 3.04Å; R162-K174 PolarHBondContact NH1-O 3.48Å; P165-K174 HydrophobicContact CB-CG 4.2Å |
| 175 | F | 89.3 | Confident | 88.7 | Confident | 37 Ų | 37 | 62 Ų | 62 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.7 | -174 | -58.5 | -91.9 | 0 | 0 | 0 | 111.8 | R162 F164 K173 E180 L181 H184 | R162-F175 CarbonylContact C-O 3.28Å; R162-F175 VanDerWaalsContact C-O 3.28Å; R162-F175 VanDerWaalsContact CA-O 3.29Å; R162-F175 WeakPolarHBondContact CA-O 3.31Å; F164-F175 HydrophobicContact CB-CB 4.37Å; F164-F175 WeakPolarHBondContact CB-O 3.44Å; F164-F175 PolarHBondContact N-O 3.49Å; F164-F175 VanDerWaalsContact N-O 3.14Å; F164-F175 PolarHBondContact O-N 3.09Å; K173-F175 HydrophobicContact CB-CE2 3.79Å; K173-F175 HydrophobicContact CB-CZ 3.94Å; F175-E180 HydrophobicContact CB-CB 4.05Å; F175-E180 HydrophobicContact CD1-CB 3.75Å; F175-E180 HydrophobicContact CG-CB 4.18Å; F175-L181 HydrophobicContact CB-CB 4.28Å; F175-L181 HydrophobicContact CD2-CB 4.03Å; F175-L181 HydrophobicContact CD2-CD1 3.45Å; F175-L181 VanDerWaalsContact CD2-CD1 3.45Å; F175-L181 HydrophobicContact CD2-CG 4.35Å; F175-L181 HydrophobicContact CE2-CD1 3.7Å; F175-L181 HydrophobicContact CG-CB 4.26Å; F175-L181 HydrophobicContact CG-CD1 4.46Å; F175-H184 HydrophobicContact CE1-CB 3.88Å; F175-H184 HydrophobicContact CE2-CB 3.85Å; F175-H184 AromaticContact CE2-CD2 3.23Å; F175-H184 WeakPolarHBondContact CE2-CD2 3.08Å; F175-H184 AromaticContact CE2-CG 3.67Å; F175-H184 HydrophobicContact CZ-CB 3.35Å; F175-H184 AromaticContact CZ-CD2 3.31Å; F175-H184 WeakPolarHBondContact CZ-CD2 3.34Å; F175-H184 AromaticContact CZ-CG 3.25Å |
| 176 | A | 87.3 | Confident | 88.8 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -81 | -21.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R156 F164 | R156-A176 HydrophobicContact CB-CB 4.19Å; R156-A176 VanDerWaalsContact CD-O 3.28Å; R156-A176 WeakPolarHBondContact CD-O 3.22Å; R156-A176 PolarHBondContact NH1-O 2.88Å; F164-A176 WeakPolarHBondContact CE2-O 3.33Å |
| 177 | R | 84.7 | Confident | 88.7 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -132 | 148.7 | -179.4 | -49.9 | -172.3 | -61 | 123.7 | 16 | 112.2 | A153 D179 E180 L181 | A153-R177 HydrophobicContact CB-CG 4.4Å; R177-D179 WeakPolarHBondContact CB-OD1 3.44Å; R177-D179 IonicContact CZ-OD1 3.17Å; R177-D179 IonicContact CZ-OD2 3.11Å; R177-D179 IonicContact NE-OD1 3.65Å; R177-D179 IonicContact NH1-OD1 3.18Å; R177-D179 PolarHBondContact NH1-OD1 2.95Å; R177-D179 IonicContact NH1-OD2 2.9Å; R177-D179 PolarHBondContact NH1-OD2 2.75Å; R177-D179 IonicContact NH2-OD1 3.37Å; R177-D179 PolarHBondContact NH2-OD1 2.77Å; R177-D179 IonicContact NH2-OD2 2.75Å; R177-D179 PolarHBondContact NH2-OD2 2.9Å; R177-E180 HydrophobicContact CB-CG 4.14Å; R177-E180 IonicContact CZ-OE1 3.29Å; R177-E180 VanDerWaalsContact CZ-OE1 3.29Å; R177-E180 PolarHBondContact N-OE2 3.49Å; R177-E180 IonicContact NE-OE1 2.77Å; R177-E180 PolarHBondContact NE-OE1 3.18Å; R177-E180 IonicContact NH2-OE1 2.95Å; R177-E180 PolarHBondContact NH2-OE1 2.79Å; R177-E180 WeakPolarHBondContact O-CB 3.47Å; R177-E180 PolarHBondContact O-N 3.37Å; R177-L181 PolarHBondContact O-N 2.84Å |
| 178 | S | 85.9 | Confident | 88.7 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.1 | -32.8 | -177.8 | 57.2 | 0 | 0 | 0 | 0 | 113 | E180 L181 A182 | S178-E180 VanDerWaalsContact C-N 3.28Å; S178-E180 PolarHBondContact O-N 3.46Å; S178-L181 PolarHBondContact O-N 3.11Å; S178-A182 WeakPolarHBondContact O-CB 3.44Å; S178-A182 PolarHBondContact O-N 3.38Å |
| 179 | D | 84.6 | Confident | 88.7 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.7 | -30.8 | 175.6 | 65.3 | -49.5 | 0 | 0 | 0 | 112.3 | R177 A182 R183 | R177-D179 WeakPolarHBondContact CB-OD1 3.44Å; R177-D179 IonicContact CZ-OD1 3.17Å; R177-D179 IonicContact CZ-OD2 3.11Å; R177-D179 IonicContact NE-OD1 3.65Å; R177-D179 IonicContact NH1-OD1 3.18Å; R177-D179 PolarHBondContact NH1-OD1 2.95Å; R177-D179 IonicContact NH1-OD2 2.9Å; R177-D179 PolarHBondContact NH1-OD2 2.75Å; R177-D179 IonicContact NH2-OD1 3.37Å; R177-D179 PolarHBondContact NH2-OD1 2.77Å; R177-D179 IonicContact NH2-OD2 2.75Å; R177-D179 PolarHBondContact NH2-OD2 2.9Å; D179-A182 WeakPolarHBondContact O-CB 3.05Å; D179-R183 WeakPolarHBondContact O-CB 3.28Å; D179-R183 PolarHBondContact O-N 3.18Å |
| 180 | E | 87.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 20% | 0.201 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.7 | -44.1 | 174 | -65.4 | 168.2 | 176.5 | 0 | 0 | 111.3 | F175 R177 S178 R183 H184 | F175-E180 HydrophobicContact CB-CB 4.05Å; F175-E180 HydrophobicContact CD1-CB 3.75Å; F175-E180 HydrophobicContact CG-CB 4.18Å; R177-E180 HydrophobicContact CB-CG 4.14Å; R177-E180 IonicContact CZ-OE1 3.29Å; R177-E180 VanDerWaalsContact CZ-OE1 3.29Å; R177-E180 PolarHBondContact N-OE2 3.49Å; R177-E180 IonicContact NE-OE1 2.77Å; R177-E180 PolarHBondContact NE-OE1 3.18Å; R177-E180 IonicContact NH2-OE1 2.95Å; R177-E180 PolarHBondContact NH2-OE1 2.79Å; R177-E180 WeakPolarHBondContact O-CB 3.47Å; R177-E180 PolarHBondContact O-N 3.37Å; S178-E180 VanDerWaalsContact C-N 3.28Å; S178-E180 PolarHBondContact O-N 3.46Å; E180-R183 PolarHBondContact O-N 3.18Å; E180-H184 WeakPolarHBondContact O-CB 3.48Å; E180-H184 PolarHBondContact O-N 3.25Å |
| 181 | L | 89.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 173.7 | -178.1 | 64.7 | 0 | 0 | 0 | 111 | I71 F164 P165 C166 F175 R177 S178 R183 H184 Y185 | I71-L181 HydrophobicContact CD1-CD2 3.27Å; I71-L181 HydrophobicContact CD1-CG 4.46Å; I71-L181 HydrophobicContact CG1-CD2 4.5Å; I71-L181 HydrophobicContact CG2-CD2 4.22Å; F164-L181 HydrophobicContact CB-CB 4.22Å; F164-L181 HydrophobicContact CB-CD2 3.93Å; P165-L181 WeakPolarHBondContact O-CD2 3.42Å; C166-L181 HydrophobicContact CB-CD1 4.1Å; F175-L181 HydrophobicContact CB-CB 4.28Å; F175-L181 HydrophobicContact CD2-CB 4.03Å; F175-L181 HydrophobicContact CD2-CD1 3.45Å; F175-L181 VanDerWaalsContact CD2-CD1 3.45Å; F175-L181 HydrophobicContact CD2-CG 4.35Å; F175-L181 HydrophobicContact CE2-CD1 3.7Å; F175-L181 HydrophobicContact CG-CB 4.26Å; F175-L181 HydrophobicContact CG-CD1 4.46Å; R177-L181 PolarHBondContact O-N 2.84Å; S178-L181 PolarHBondContact O-N 3.11Å; L181-R183 VanDerWaalsContact C-N 3.28Å; L181-R183 PolarHBondContact O-N 3.35Å; L181-H184 CarbonylContact O-C 3.42Å; L181-H184 WeakPolarHBondContact O-CA 3.44Å; L181-H184 WeakPolarHBondContact O-CB 3.44Å; L181-H184 PolarHBondContact O-N 3.39Å; L181-Y185 HydrophobicContact CD1-CD2 3.77Å; L181-Y185 HydrophobicContact CD1-CE2 3.58Å; L181-Y185 HydrophobicContact CD2-CE2 4.15Å; L181-Y185 HydrophobicContact CG-CD2 3.82Å; L181-Y185 HydrophobicContact CG-CE2 3.79Å; L181-Y185 WeakPolarHBondContact O-CD2 3.07Å; L181-Y185 PolarHBondContact O-N 3.27Å |
| 182 | A | 88.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 57 Ų | 57 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S64 V68 S178 D179 H184 Y185 | S64-A182 WeakPolarHBondContact CB-O 3.42Å; V68-A182 HydrophobicContact CG2-CB 3.22Å; S178-A182 WeakPolarHBondContact O-CB 3.44Å; S178-A182 PolarHBondContact O-N 3.38Å; D179-A182 WeakPolarHBondContact O-CB 3.05Å; A182-H184 VanDerWaalsContact C-N 3.33Å; A182-Y185 PolarHBondContact O-N 3.32Å |
| 183 | R | 87.6 | Confident | 88 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.9 | 178.9 | 178.7 | 63 | -170.7 | -3.2 | 111 | D179 E180 L181 R186 R205 | D179-R183 WeakPolarHBondContact O-CB 3.28Å; D179-R183 PolarHBondContact O-N 3.18Å; E180-R183 PolarHBondContact O-N 3.18Å; L181-R183 VanDerWaalsContact C-N 3.28Å; L181-R183 PolarHBondContact O-N 3.35Å; R183-R186 WeakPolarHBondContact O-CB 3.4Å; R183-R186 PolarHBondContact O-N 3.41Å; R183-R205 HydrophobicContact CG-CG 4.24Å |
| 184 | H | 90.1 | Very high | 87.8 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.5 | 170.5 | 49.8 | 0 | 0 | 0 | 112.1 | C171 F175 E180 L181 A182 R186 T187 H188 | C171-H184 PolarHBondContact SG-NE2 3.21Å; F175-H184 HydrophobicContact CE1-CB 3.88Å; F175-H184 HydrophobicContact CE2-CB 3.85Å; F175-H184 AromaticContact CE2-CD2 3.23Å; F175-H184 WeakPolarHBondContact CE2-CD2 3.08Å; F175-H184 AromaticContact CE2-CG 3.67Å; F175-H184 HydrophobicContact CZ-CB 3.35Å; F175-H184 AromaticContact CZ-CD2 3.31Å; F175-H184 WeakPolarHBondContact CZ-CD2 3.34Å; F175-H184 AromaticContact CZ-CG 3.25Å; E180-H184 WeakPolarHBondContact O-CB 3.48Å; E180-H184 PolarHBondContact O-N 3.25Å; L181-H184 CarbonylContact O-C 3.42Å; L181-H184 WeakPolarHBondContact O-CA 3.44Å; L181-H184 WeakPolarHBondContact O-CB 3.44Å; L181-H184 PolarHBondContact O-N 3.39Å; A182-H184 VanDerWaalsContact C-N 3.33Å; H184-R186 PolarHBondContact O-N 3Å; H184-T187 PolarHBondContact ND1-OG1 3.17Å; H184-T187 WeakPolarHBondContact O-CB 3.37Å; H184-T187 WeakPolarHBondContact O-CG2 3.38Å; H184-T187 PolarHBondContact O-N 2.86Å; H184-T187 PolarHBondContact O-OG1 3.22Å; H184-H188 AromaticContact CE1-CD2 3.98Å; H184-H188 AromaticContact CE1-NE2 3.31Å; H184-H188 PolarHBondContact CE1-NE2 2.97Å; H184-H188 VanDerWaalsContact CE1-NE2 3.31Å; H184-H188 AromaticContact NE2-CD2 3.94Å; H184-H188 AromaticContact NE2-NE2 3.26Å; H184-H188 PolarHBondContact NE2-NE2 2.85Å |
| 185 | Y | 88.8 | Confident | 87.7 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.3 | -30.3 | 178.6 | -99.8 | -88.7 | 0 | 0 | 0 | 114.2 | V67 I71 C166 T167 W168 L181 A182 T187 H188 T189 | V67-Y185 HydrophobicContact CB-CD1 4.43Å; V67-Y185 HydrophobicContact CB-CE1 4.48Å; V67-Y185 HydrophobicContact CB-CG 4.48Å; V67-Y185 HydrophobicContact CG1-CD1 3.99Å; V67-Y185 HydrophobicContact CG1-CD2 3.73Å; V67-Y185 HydrophobicContact CG1-CE1 3.71Å; V67-Y185 HydrophobicContact CG1-CE2 3.42Å; V67-Y185 VanDerWaalsContact CG1-CE2 3.42Å; V67-Y185 HydrophobicContact CG1-CG 3.96Å; V67-Y185 HydrophobicContact CG2-CD1 4.04Å; V67-Y185 HydrophobicContact CG2-CE1 4.07Å; I71-Y185 HydrophobicContact CD1-CE2 4.48Å; C166-Y185 HydrophobicContact CB-CE2 4.49Å; T167-Y185 WeakPolarHBondContact CA-OH 3.43Å; T167-Y185 VanDerWaalsContact CB-OH 3.31Å; T167-Y185 WeakPolarHBondContact CB-OH 3.34Å; T167-Y185 PolarHBondContact N-OH 2.89Å; T167-Y185 PolarHBondContact OG1-OH 3.36Å; W168-Y185 HydrophobicContact CE3-CE1 4.38Å; L181-Y185 HydrophobicContact CD1-CD2 3.77Å; L181-Y185 HydrophobicContact CD1-CE2 3.58Å; L181-Y185 HydrophobicContact CD2-CE2 4.15Å; L181-Y185 HydrophobicContact CG-CD2 3.82Å; L181-Y185 HydrophobicContact CG-CE2 3.79Å; L181-Y185 WeakPolarHBondContact O-CD2 3.07Å; L181-Y185 PolarHBondContact O-N 3.27Å; A182-Y185 PolarHBondContact O-N 3.32Å; Y185-T187 PolarHBondContact O-N 3.15Å; Y185-T187 VanDerWaalsContact O-N 3.16Å; Y185-H188 WeakPolarHBondContact O-CB 3.25Å; Y185-H188 PolarHBondContact O-N 3.19Å; Y185-T189 PolarHBondContact O-N 3.3Å; Y185-T189 VanDerWaalsContact O-N 3.13Å; Y185-T189 PolarHBondContact O-OG1 3.01Å |
| 186 | R | 89.3 | Confident | 87.7 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 15% | 0.151 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -21 | 174.9 | -58.5 | 178.9 | -173.6 | 162.8 | 5.2 | 112.8 | S64 R183 H184 H188 G190 E191 M204 | S64-R186 PolarHBondContact OG-NE 2.83Å; R183-R186 WeakPolarHBondContact O-CB 3.4Å; R183-R186 PolarHBondContact O-N 3.41Å; H184-R186 PolarHBondContact O-N 3Å; R186-H188 VanDerWaalsContact C-N 3.32Å; R186-G190 WeakPolarHBondContact O-CA 3.43Å; R186-G190 PolarHBondContact O-N 3.11Å; R186-E191 HydrophobicContact CB-CB 4.16Å; R186-E191 HydrophobicContact CG-CB 4Å; R186-E191 PolarHBondContact O-N 2.77Å; R186-M204 HydrophobicContact CB-CE 3.82Å; R186-M204 HydrophobicContact CB-CG 3.43Å; R186-M204 VanDerWaalsContact CB-CG 3.43Å; R186-M204 HydrophobicContact CB-SD 3.47Å; R186-M204 WeakPolarHBondContact CB-SD 3.48Å; R186-M204 HydrophobicContact CG-CG 4.17Å; R186-M204 PolarHBondContact NH1-O 3.49Å; R186-M204 WeakPolarHBondContact O-CE 3.33Å |
| 187 | T | 89.1 | Confident | 87.7 | Confident | 81 Ų | 81 | 46 Ų | 46 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.5 | -26.6 | 173.3 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | H184 Y185 M204 | H184-T187 PolarHBondContact ND1-OG1 3.17Å; H184-T187 WeakPolarHBondContact O-CB 3.37Å; H184-T187 WeakPolarHBondContact O-CG2 3.38Å; H184-T187 PolarHBondContact O-N 2.86Å; H184-T187 PolarHBondContact O-OG1 3.22Å; Y185-T187 PolarHBondContact O-N 3.15Å; Y185-T187 VanDerWaalsContact O-N 3.16Å; T187-M204 HydrophobicContact CG2-CE 4.03Å; T187-M204 HydrophobicContact CG2-SD 3.79Å |
| 188 | H | 88.1 | Confident | 87.8 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -82 | -42.4 | 174 | -65.5 | -68.4 | 0 | 0 | 0 | 111.6 | W168 C171 H184 Y185 R186 | W168-H188 AromaticContact CD1-CE1 3.82Å; W168-H188 AromaticContact CD1-ND1 3.61Å; W168-H188 HydrophobicContact CD2-CB 3.58Å; W168-H188 AromaticContact CD2-CG 3.53Å; W168-H188 AromaticContact CD2-ND1 3.62Å; W168-H188 AromaticContact CE2-CG 3.99Å; W168-H188 AromaticContact CE2-ND1 3.77Å; W168-H188 HydrophobicContact CE3-CB 3.36Å; W168-H188 AromaticContact CE3-CG 3.74Å; W168-H188 HydrophobicContact CG-CB 4.32Å; W168-H188 AromaticContact CG-CE1 3.75Å; W168-H188 AromaticContact CG-CG 3.74Å; W168-H188 AromaticContact CG-ND1 3.52Å; W168-H188 HydrophobicContact CH2-CB 3.79Å; W168-H188 HydrophobicContact CZ2-CB 3.99Å; W168-H188 HydrophobicContact CZ3-CB 3.48Å; W168-H188 VanDerWaalsContact CZ3-CB 3.48Å; W168-H188 AromaticContact NE1-ND1 3.76Å; C171-H188 PolarHBondContact SG-NE2 3.19Å; H184-H188 AromaticContact CE1-CD2 3.98Å; H184-H188 AromaticContact CE1-NE2 3.31Å; H184-H188 PolarHBondContact CE1-NE2 2.97Å; H184-H188 VanDerWaalsContact CE1-NE2 3.31Å; H184-H188 AromaticContact NE2-CD2 3.94Å; H184-H188 AromaticContact NE2-NE2 3.26Å; H184-H188 PolarHBondContact NE2-NE2 2.85Å; Y185-H188 WeakPolarHBondContact O-CB 3.25Å; Y185-H188 PolarHBondContact O-N 3.19Å; R186-H188 VanDerWaalsContact C-N 3.32Å |
| 189 | T | 86.6 | Confident | 88.1 | Confident | 47 Ų | 47 | 45 Ų | 45 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -88.6 | -11.4 | -175 | 59.9 | 0 | 0 | 0 | 0 | 114.5 | N62 W168 Y185 E191 | N62-T189 HydrophobicContact CB-CG2 4.24Å; N62-T189 WeakPolarHBondContact O-CG2 3.36Å; W168-T189 HydrophobicContact CZ3-CG2 4.2Å; Y185-T189 PolarHBondContact O-N 3.3Å; Y185-T189 VanDerWaalsContact O-N 3.13Å; Y185-T189 PolarHBondContact O-OG1 3.01Å; T189-E191 PolarHBondContact O-N 2.91Å; T189-E191 WeakPolarHBondContact OG1-CG 3.37Å |
| 190 | G | 87.3 | Confident | 88.3 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | trans | 70.3 | 11.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R186 K192 | R186-G190 WeakPolarHBondContact O-CA 3.43Å; R186-G190 PolarHBondContact O-N 3.11Å; G190-K192 PolarHBondContact O-N 3.33Å; G190-K192 VanDerWaalsContact O-N 3.11Å | ||
| 191 | E | 87.3 | Confident | 88.4 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | trans | -58.3 | 113.5 | -177.8 | -82.4 | -170.2 | 158.3 | 0 | 0 | 112.9 | S63 S64 R186 T189 K193 | S63-E191 WeakPolarHBondContact CA-OE1 3.31Å; S63-E191 WeakPolarHBondContact CB-OE1 3.42Å; S63-E191 PolarHBondContact OG-OE1 3.4Å; S64-E191 VanDerWaalsContact CB-OE2 3.31Å; S64-E191 WeakPolarHBondContact CB-OE2 3.41Å; S64-E191 PolarHBondContact N-OE2 3.42Å; S64-E191 PolarHBondContact OG-OE2 3.44Å; R186-E191 HydrophobicContact CB-CB 4.16Å; R186-E191 HydrophobicContact CG-CB 4Å; R186-E191 PolarHBondContact O-N 2.77Å; T189-E191 PolarHBondContact O-N 2.91Å; T189-E191 WeakPolarHBondContact OG1-CG 3.37Å; E191-K193 IonicContact OE1-NZ 3.73Å; E191-K193 WeakPolarHBondContact OE2-CE 3.33Å; E191-K193 IonicContact OE2-NZ 2.95Å; E191-K193 PolarHBondContact OE2-NZ 3.16Å | ||
| 192 | K | 86.7 | Confident | 88.5 | Confident | 119 Ų | 119 | 60.4 Ų | 60.4 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | trans | -113.9 | 85.4 | 176.7 | -68.6 | 169.7 | -177.8 | 176.9 | 0 | 111.4 | G190 F194 R202 F203 | G190-K192 PolarHBondContact O-N 3.33Å; G190-K192 VanDerWaalsContact O-N 3.11Å; K192-F194 VanDerWaalsContact C-N 3.35Å; K192-F194 PolarHBondContact O-N 2.9Å; K192-R202 HydrophobicContact CB-CB 3.7Å; K192-R202 HydrophobicContact CD-CB 4.26Å; K192-R202 PolarHBondContact O-NE 3.01Å; K192-R202 PolarHBondContact O-NH2 3.3Å; K192-R202 VanDerWaalsContact O-NH2 3.09Å; K192-F203 CarbonylContact C-O 3.54Å; K192-F203 WeakPolarHBondContact CA-O 3.44Å | ||
| 193 | K | 86.4 | Confident | 88.5 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | trans | -76.4 | -17.8 | -174 | -61.9 | -173.7 | 176.5 | 173 | 0 | 114.2 | S64 E191 F203 P227 | S64-K193 PolarHBondContact OG-NZ 2.74Å; E191-K193 IonicContact OE1-NZ 3.73Å; E191-K193 WeakPolarHBondContact OE2-CE 3.33Å; E191-K193 IonicContact OE2-NZ 2.95Å; E191-K193 PolarHBondContact OE2-NZ 3.16Å; K193-F203 PolarHBondContact N-O 3.2Å; K193-P227 HydrophobicContact CB-CB 4.12Å | ||
| 194 | F | 87.8 | Confident | 88.5 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 102.3 | -171.8 | -58.3 | -83.1 | 0 | 0 | 0 | 110.7 | K192 R202 F203 M204 R205 L209 P227 | K192-F194 VanDerWaalsContact C-N 3.35Å; K192-F194 PolarHBondContact O-N 2.9Å; F194-R202 CarbonylContact O-C 3.58Å; F194-R202 WeakPolarHBondContact O-CA 3.23Å; F194-F203 HydrophobicContact CB-CB 4.32Å; F194-F203 WeakPolarHBondContact CB-O 3.47Å; F194-F203 WeakPolarHBondContact CD2-O 3.28Å; F194-F203 PolarHBondContact N-O 3.22Å; F194-F203 PolarHBondContact O-N 3.36Å; F194-M204 WeakPolarHBondContact CE2-O 3.43Å; F194-R205 VanDerWaalsContact CD2-C 3.48Å; F194-L209 HydrophobicContact CB-CB 4.15Å; F194-L209 HydrophobicContact CB-CD2 3.69Å; F194-P227 HydrophobicContact CD1-CG 4.34Å; F194-P227 VanDerWaalsContact CE1-CD 3.5Å; F194-P227 HydrophobicContact CE1-CG 3.66Å; F194-P227 HydrophobicContact CZ-CG 4.04Å |
| 195 | G | 88.9 | Confident | 88.4 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L209 | G195-L209 VanDerWaalsContact O-CD2 3.29Å; G195-L209 WeakPolarHBondContact O-CD2 3.45Å |
| 196 | C | 88.8 | Confident | 88.4 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | trans | -71.8 | 134.3 | 167 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | L198 C199 K201 L209 H216 | C196-L198 VanDerWaalsContact C-N 3.25Å; C196-L198 PolarHBondContact O-N 3.43Å; C196-C199 CarbonylContact C-O 3.58Å; C196-C199 WeakPolarHBondContact CB-O 3.49Å; C196-K201 WeakPolarHBondContact CB-O 3.14Å; C196-K201 PolarHBondContact N-O 2.83Å; C196-L209 HydrophobicContact CB-CD1 3.75Å; C196-H216 PolarHBondContact SG-NE2 2.83Å | ||
| 197 | P | 87.2 | Confident | 88.4 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -76.8 | -13.8 | 176.3 | 29.5 | -33.6 | 0 | 0 | 0 | 113.2 | M223 | P197-M223 HydrophobicContact CG-CB 4.14Š|
| 198 | L | 88.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 65 Ų | 65 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -103.7 | -9.2 | -175.4 | -57.9 | 174.8 | 0 | 0 | 0 | 112.9 | C196 H216 F219 | C196-L198 VanDerWaalsContact C-N 3.25Å; C196-L198 PolarHBondContact O-N 3.43Å; L198-H216 HydrophobicContact CD1-CB 3.4Å; L198-H216 VanDerWaalsContact CD1-CB 3.4Å; L198-F219 HydrophobicContact CD1-CB 4.04Å |
| 199 | C | 91.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 25% | 0.25 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -161.4 | 168.5 | 176.1 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | C196 K201 H212 | C196-C199 CarbonylContact C-O 3.58Å; C196-C199 WeakPolarHBondContact CB-O 3.49Å; C199-K201 PolarHBondContact O-N 3.27Å; C199-H212 PolarHBondContact SG-NE2 3.19Å |
| 200 | D | 89.4 | Confident | 88.9 | Confident | 166 Ų | 166 | 62.9 Ų | 62.9 | 89% | 0.888 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -75.8 | 6.9 | -175.7 | -57.9 | -46.4 | 0 | 0 | 0 | 115 | R202 | D200-R202 PolarHBondContact O-N 2.7Š|
| 201 | K | 89.6 | Confident | 89 | Confident | 131 Ų | 131 | 67.5 Ų | 67.5 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | trans | -72.8 | 128 | -179.3 | -65 | -167.6 | -178.7 | -165.2 | 0 | 111 | C196 C199 F203 | C196-K201 WeakPolarHBondContact CB-O 3.14Å; C196-K201 PolarHBondContact N-O 2.83Å; C199-K201 PolarHBondContact O-N 3.27Å; K201-F203 HydrophobicContact CB-CE2 3.87Å; K201-F203 HydrophobicContact CB-CZ 3.95Å | ||
| 202 | R | 91.1 | Very high | 89.3 | Confident | 146 Ų | 146 | 66.7 Ų | 66.7 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 146.1 | 177.2 | -52.8 | -177.4 | 67.9 | 106.5 | -1.5 | 111.7 | K192 F194 D200 | K192-R202 HydrophobicContact CB-CB 3.7Å; K192-R202 HydrophobicContact CD-CB 4.26Å; K192-R202 PolarHBondContact O-NE 3.01Å; K192-R202 PolarHBondContact O-NH2 3.3Å; K192-R202 VanDerWaalsContact O-NH2 3.09Å; F194-R202 CarbonylContact O-C 3.58Å; F194-R202 WeakPolarHBondContact O-CA 3.23Å; D200-R202 PolarHBondContact O-N 2.7Å |
| 203 | F | 88.4 | Confident | 89.4 | Confident | 39 Ų | 39 | 61 Ų | 61 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.1 | -174.4 | -57.6 | -90.2 | 0 | 0 | 0 | 110.7 | K192 K193 F194 K201 R205 H208 L209 H212 | K192-F203 CarbonylContact C-O 3.54Å; K192-F203 WeakPolarHBondContact CA-O 3.44Å; K193-F203 PolarHBondContact N-O 3.2Å; F194-F203 HydrophobicContact CB-CB 4.32Å; F194-F203 WeakPolarHBondContact CB-O 3.47Å; F194-F203 WeakPolarHBondContact CD2-O 3.28Å; F194-F203 PolarHBondContact N-O 3.22Å; F194-F203 PolarHBondContact O-N 3.36Å; K201-F203 HydrophobicContact CB-CE2 3.87Å; K201-F203 HydrophobicContact CB-CZ 3.95Å; F203-R205 VanDerWaalsContact C-N 3.33Å; F203-H208 HydrophobicContact CB-CB 4.36Å; F203-H208 HydrophobicContact CD1-CB 3.97Å; F203-H208 HydrophobicContact CG-CB 4.44Å; F203-L209 HydrophobicContact CB-CB 4.11Å; F203-L209 HydrophobicContact CD2-CB 3.72Å; F203-L209 HydrophobicContact CD2-CD1 3.68Å; F203-L209 HydrophobicContact CD2-CG 4.24Å; F203-L209 HydrophobicContact CE2-CB 4.5Å; F203-L209 HydrophobicContact CE2-CD1 3.82Å; F203-L209 HydrophobicContact CG-CB 4.03Å; F203-H212 HydrophobicContact CE1-CB 3.81Å; F203-H212 HydrophobicContact CE2-CB 3.91Å; F203-H212 AromaticContact CE2-CD2 3.45Å; F203-H212 VanDerWaalsContact CE2-CD2 3.45Å; F203-H212 WeakPolarHBondContact CE2-CD2 3.19Å; F203-H212 AromaticContact CE2-CG 3.66Å; F203-H212 HydrophobicContact CZ-CB 3.35Å; F203-H212 AromaticContact CZ-CD2 3.46Å; F203-H212 VanDerWaalsContact CZ-CD2 3.46Å; F203-H212 WeakPolarHBondContact CZ-CD2 3.42Å; F203-H212 AromaticContact CZ-CG 3.17Å; F203-H212 AromaticContact CZ-ND1 3.7Å |
| 204 | M | 88.3 | Confident | 89.5 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 21% | 0.207 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -77.1 | -22.7 | 174.6 | -175 | -179.3 | -63.5 | 0 | 0 | 112.8 | R186 T187 F194 | R186-M204 HydrophobicContact CB-CE 3.82Å; R186-M204 HydrophobicContact CB-CG 3.43Å; R186-M204 VanDerWaalsContact CB-CG 3.43Å; R186-M204 HydrophobicContact CB-SD 3.47Å; R186-M204 WeakPolarHBondContact CB-SD 3.48Å; R186-M204 HydrophobicContact CG-CG 4.17Å; R186-M204 PolarHBondContact NH1-O 3.49Å; R186-M204 WeakPolarHBondContact O-CE 3.33Å; T187-M204 HydrophobicContact CG2-CE 4.03Å; T187-M204 HydrophobicContact CG2-SD 3.79Å; F194-M204 WeakPolarHBondContact CE2-O 3.43Å |
| 205 | R | 87.8 | Confident | 89.5 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -131.3 | 143.9 | -175.1 | -58.3 | 166.9 | 54 | 166 | -3.9 | 111.4 | R183 F194 F203 D207 H208 L209 | R183-R205 HydrophobicContact CG-CG 4.24Å; F194-R205 VanDerWaalsContact CD2-C 3.48Å; F203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 WeakPolarHBondContact CB-OD1 3.46Å; R205-D207 IonicContact CZ-OD1 3.45Å; R205-D207 IonicContact CZ-OD2 3.42Å; R205-D207 IonicContact NE-OD1 2.83Å; R205-D207 PolarHBondContact NE-OD1 2.77Å; R205-D207 IonicContact NE-OD2 3.59Å; R205-D207 VanDerWaalsContact NH2-CG 3.32Å; R205-D207 IonicContact NH2-OD1 3.27Å; R205-D207 PolarHBondContact NH2-OD1 2.9Å; R205-D207 IonicContact NH2-OD2 2.7Å; R205-D207 PolarHBondContact NH2-OD2 2.8Å; R205-H208 HydrophobicContact CB-CB 4.29Å; R205-H208 PolarHBondContact NE-NE2 3.41Å; R205-H208 PolarHBondContact NH1-NE2 3.36Å; R205-H208 PolarHBondContact O-N 3.03Å; R205-L209 PolarHBondContact O-N 3.12Å; R205-L209 VanDerWaalsContact O-N 3.16Å |
| 206 | S | 89.3 | Confident | 89.4 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 178 | 53 | 0 | 0 | 0 | 0 | 112.8 | H208 L209 M210 | S206-H208 VanDerWaalsContact C-N 3.33Å; S206-H208 PolarHBondContact O-N 3.14Å; S206-L209 PolarHBondContact O-N 2.78Å; S206-M210 WeakPolarHBondContact O-CB 3.45Å; S206-M210 PolarHBondContact O-N 3.5Å |
| 207 | D | 88.9 | Confident | 88.8 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.1 | -33.1 | 179.3 | 67.3 | -56.6 | 0 | 0 | 0 | 112 | R205 M210 K211 | R205-D207 WeakPolarHBondContact CB-OD1 3.46Å; R205-D207 IonicContact CZ-OD1 3.45Å; R205-D207 IonicContact CZ-OD2 3.42Å; R205-D207 IonicContact NE-OD1 2.83Å; R205-D207 PolarHBondContact NE-OD1 2.77Å; R205-D207 IonicContact NE-OD2 3.59Å; R205-D207 VanDerWaalsContact NH2-CG 3.32Å; R205-D207 IonicContact NH2-OD1 3.27Å; R205-D207 PolarHBondContact NH2-OD1 2.9Å; R205-D207 IonicContact NH2-OD2 2.7Å; R205-D207 PolarHBondContact NH2-OD2 2.8Å; D207-M210 PolarHBondContact O-N 3.12Å; D207-K211 WeakPolarHBondContact O-CB 3.31Å; D207-K211 VanDerWaalsContact O-CG 3.31Å; D207-K211 WeakPolarHBondContact O-CG 3.49Å; D207-K211 PolarHBondContact O-N 3.3Å |
| 208 | H | 91.8 | Very high | 88.2 | Confident | 72 Ų | 72 | 84 Ų | 84 | 33% | 0.333 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 171.9 | -71.8 | -155 | 0 | 0 | 0 | 111 | F203 R205 S206 K211 H212 | F203-H208 HydrophobicContact CB-CB 4.36Å; F203-H208 HydrophobicContact CD1-CB 3.97Å; F203-H208 HydrophobicContact CG-CB 4.44Å; R205-H208 HydrophobicContact CB-CB 4.29Å; R205-H208 PolarHBondContact NE-NE2 3.41Å; R205-H208 PolarHBondContact NH1-NE2 3.36Å; R205-H208 PolarHBondContact O-N 3.03Å; S206-H208 VanDerWaalsContact C-N 3.33Å; S206-H208 PolarHBondContact O-N 3.14Å; H208-K211 PolarHBondContact O-N 3.2Å; H208-H212 WeakPolarHBondContact O-CB 3.44Å; H208-H212 PolarHBondContact O-N 3.02Å |
| 209 | L | 91.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 82.1 Ų | 82.1 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 172.7 | 170.5 | 57.6 | 0 | 0 | 0 | 111 | F194 G195 C196 F203 R205 S206 K211 H212 A213 L224 | F194-L209 HydrophobicContact CB-CB 4.15Å; F194-L209 HydrophobicContact CB-CD2 3.69Å; G195-L209 VanDerWaalsContact O-CD2 3.29Å; G195-L209 WeakPolarHBondContact O-CD2 3.45Å; C196-L209 HydrophobicContact CB-CD1 3.75Å; F203-L209 HydrophobicContact CB-CB 4.11Å; F203-L209 HydrophobicContact CD2-CB 3.72Å; F203-L209 HydrophobicContact CD2-CD1 3.68Å; F203-L209 HydrophobicContact CD2-CG 4.24Å; F203-L209 HydrophobicContact CE2-CB 4.5Å; F203-L209 HydrophobicContact CE2-CD1 3.82Å; F203-L209 HydrophobicContact CG-CB 4.03Å; R205-L209 PolarHBondContact O-N 3.12Å; R205-L209 VanDerWaalsContact O-N 3.16Å; S206-L209 PolarHBondContact O-N 2.78Å; L209-K211 PolarHBondContact O-N 3.14Å; L209-H212 CarbonylContact O-C 3.59Å; L209-H212 WeakPolarHBondContact O-CB 3.29Å; L209-H212 PolarHBondContact O-N 2.89Å; L209-A213 HydrophobicContact CD1-CB 4.39Å; L209-A213 WeakPolarHBondContact O-CB 3.45Å; L209-A213 PolarHBondContact O-N 3.49Å; L209-L224 HydrophobicContact CD1-CD2 4.14Å; L209-L224 HydrophobicContact CD2-CD2 3.45Å; L209-L224 VanDerWaalsContact CD2-CD2 3.45Å; L209-L224 HydrophobicContact CG-CD2 3.55Å |
| 210 | M | 90 | Very high | 86.9 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 25% | 0.251 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 178.4 | 178.8 | 64.3 | 74.9 | 0 | 0 | 111.7 | S206 D207 H212 A213 R214 F219 L224 | S206-M210 WeakPolarHBondContact O-CB 3.45Å; S206-M210 PolarHBondContact O-N 3.5Å; D207-M210 PolarHBondContact O-N 3.12Å; M210-H212 VanDerWaalsContact C-N 3.34Å; M210-H212 PolarHBondContact O-N 3.49Å; M210-A213 PolarHBondContact O-N 3.45Å; M210-R214 WeakPolarHBondContact O-CG 3.34Å; M210-R214 PolarHBondContact O-N 3.27Å; M210-F219 HydrophobicContact CE-CZ 4.44Å; M210-F219 HydrophobicContact SD-CE1 3.64Å; M210-F219 HydrophobicContact SD-CZ 3.67Å; M210-L224 HydrophobicContact CE-CD1 3.3Å; M210-L224 HydrophobicContact SD-CD1 4.06Å |
| 211 | K | 90.8 | Very high | 85.8 | Confident | 142 Ų | 142 | 83 Ų | 83 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 175.8 | -73.7 | 175.1 | -178 | 179.3 | 0 | 112.1 | D207 H208 L209 | D207-K211 WeakPolarHBondContact O-CB 3.31Å; D207-K211 VanDerWaalsContact O-CG 3.31Å; D207-K211 WeakPolarHBondContact O-CG 3.49Å; D207-K211 PolarHBondContact O-N 3.3Å; H208-K211 PolarHBondContact O-N 3.2Å; L209-K211 PolarHBondContact O-N 3.14Å |
| 212 | H | 92.3 | Very high | 84.9 | Confident | 21 Ų | 21 | 80.6 Ų | 80.6 | 10% | 0.097 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 174.8 | 165.8 | 72.8 | 0 | 0 | 0 | 111.2 | C199 F203 H208 L209 M210 R214 R215 H216 | C199-H212 PolarHBondContact SG-NE2 3.19Å; F203-H212 HydrophobicContact CE1-CB 3.81Å; F203-H212 HydrophobicContact CE2-CB 3.91Å; F203-H212 AromaticContact CE2-CD2 3.45Å; F203-H212 VanDerWaalsContact CE2-CD2 3.45Å; F203-H212 WeakPolarHBondContact CE2-CD2 3.19Å; F203-H212 AromaticContact CE2-CG 3.66Å; F203-H212 HydrophobicContact CZ-CB 3.35Å; F203-H212 AromaticContact CZ-CD2 3.46Å; F203-H212 VanDerWaalsContact CZ-CD2 3.46Å; F203-H212 WeakPolarHBondContact CZ-CD2 3.42Å; F203-H212 AromaticContact CZ-CG 3.17Å; F203-H212 AromaticContact CZ-ND1 3.7Å; H208-H212 WeakPolarHBondContact O-CB 3.44Å; H208-H212 PolarHBondContact O-N 3.02Å; L209-H212 CarbonylContact O-C 3.59Å; L209-H212 WeakPolarHBondContact O-CB 3.29Å; L209-H212 PolarHBondContact O-N 2.89Å; M210-H212 VanDerWaalsContact C-N 3.34Å; M210-H212 PolarHBondContact O-N 3.49Å; H212-R214 VanDerWaalsContact C-N 3.33Å; H212-R214 PolarHBondContact O-N 3.49Å; H212-R215 WeakPolarHBondContact O-CB 3.44Å; H212-R215 PolarHBondContact O-N 3.12Å; H212-H216 AromaticContact CD2-NE2 3.96Å; H212-H216 AromaticContact CE1-NE2 3.72Å; H212-H216 AromaticContact NE2-CD2 3.98Å; H212-H216 AromaticContact NE2-NE2 3.14Å; H212-H216 PolarHBondContact NE2-NE2 3.43Å; H212-H216 VanDerWaalsContact NE2-NE2 3.14Å |
| 213 | A | 88.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.6 | -32.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L209 M210 R215 H216 F219 | L209-A213 HydrophobicContact CD1-CB 4.39Å; L209-A213 WeakPolarHBondContact O-CB 3.45Å; L209-A213 PolarHBondContact O-N 3.49Å; M210-A213 PolarHBondContact O-N 3.45Å; A213-R215 PolarHBondContact O-N 3.17Å; A213-H216 WeakPolarHBondContact O-CB 3.19Å; A213-H216 PolarHBondContact O-N 2.8Å; A213-F219 VanDerWaalsContact C-CG 3.43Å; A213-F219 HydrophobicContact CB-CD1 4.02Å; A213-F219 HydrophobicContact CB-CD2 3.31Å; A213-F219 HydrophobicContact CB-CE1 3.98Å; A213-F219 HydrophobicContact CB-CE2 3.26Å; A213-F219 HydrophobicContact CB-CG 3.69Å; A213-F219 HydrophobicContact CB-CZ 3.6Å; A213-F219 WeakPolarHBondContact O-CB 3.23Å; A213-F219 VanDerWaalsContact O-CG 3.23Å; A213-F219 WeakPolarHBondContact O-CG 2.97Å |
| 214 | R | 88.8 | Confident | 82.8 | Confident | 178 Ų | 178 | 78 Ų | 78 | 67% | 0.672 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -16 | 168.9 | -73.1 | 174.5 | -170.2 | -98.2 | 1.8 | 115 | M210 H212 F219 | M210-R214 WeakPolarHBondContact O-CG 3.34Å; M210-R214 PolarHBondContact O-N 3.27Å; H212-R214 VanDerWaalsContact C-N 3.33Å; H212-R214 PolarHBondContact O-N 3.49Å; R214-F219 HydrophobicContact CG-CD1 4.16Å; R214-F219 HydrophobicContact CG-CE1 4.14Å |
| 215 | R | 88.5 | Confident | 81.6 | Confident | 193 Ų | 193 | 83.9 Ų | 83.9 | 73% | 0.728 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21.8 | 174.1 | -173.5 | 178.4 | -69.5 | 99.8 | -4.7 | 112.4 | H212 A213 | H212-R215 WeakPolarHBondContact O-CB 3.44Å; H212-R215 PolarHBondContact O-N 3.12Å; A213-R215 PolarHBondContact O-N 3.17Å |
| 216 | H | 86.6 | Confident | 80.2 | Confident | 53 Ų | 53 | 89 Ų | 89 | 25% | 0.245 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -76.9 | 133.2 | 172.8 | -60.9 | -68.3 | 0 | 0 | 0 | 108.8 | C196 L198 H212 A213 D218 F219 | C196-H216 PolarHBondContact SG-NE2 2.83Å; L198-H216 HydrophobicContact CD1-CB 3.4Å; L198-H216 VanDerWaalsContact CD1-CB 3.4Å; H212-H216 AromaticContact CD2-NE2 3.96Å; H212-H216 AromaticContact CE1-NE2 3.72Å; H212-H216 AromaticContact NE2-CD2 3.98Å; H212-H216 AromaticContact NE2-NE2 3.14Å; H212-H216 PolarHBondContact NE2-NE2 3.43Å; H212-H216 VanDerWaalsContact NE2-NE2 3.14Å; A213-H216 WeakPolarHBondContact O-CB 3.19Å; A213-H216 PolarHBondContact O-N 2.8Å; H216-D218 PolarHBondContact O-N 3.1Å; H216-F219 HydrophobicContact CB-CB 4.13Å; H216-F219 WeakPolarHBondContact O-CB 3.35Å; H216-F219 PolarHBondContact O-N 3.17Å |
| 217 | S | 76.6 | Confident | 78.7 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 78% | 0.783 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.5 | 176.7 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 218 | D | 75.3 | Confident | 76.9 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 12.9 | -171.5 | -46.7 | -26.7 | 0 | 0 | 0 | 111.8 | H216 Q220 | H216-D218 PolarHBondContact O-N 3.1Å; D218-Q220 PolarHBondContact O-N 3.06Å |
| 219 | F | 74.8 | Confident | 74.6 | Confident | 25 Ų | 25 | 93.8 Ų | 93.8 | 11% | 0.11 | 48% | 0.482 | C | S | . | . | trans | -75.7 | 113.2 | -177.5 | 176.4 | -110.9 | 0 | 0 | 0 | 112.5 | L198 M210 A213 R214 H216 P221 L224 | L198-F219 HydrophobicContact CD1-CB 4.04Å; M210-F219 HydrophobicContact CE-CZ 4.44Å; M210-F219 HydrophobicContact SD-CE1 3.64Å; M210-F219 HydrophobicContact SD-CZ 3.67Å; A213-F219 VanDerWaalsContact C-CG 3.43Å; A213-F219 HydrophobicContact CB-CD1 4.02Å; A213-F219 HydrophobicContact CB-CD2 3.31Å; A213-F219 HydrophobicContact CB-CE1 3.98Å; A213-F219 HydrophobicContact CB-CE2 3.26Å; A213-F219 HydrophobicContact CB-CG 3.69Å; A213-F219 HydrophobicContact CB-CZ 3.6Å; A213-F219 WeakPolarHBondContact O-CB 3.23Å; A213-F219 VanDerWaalsContact O-CG 3.23Å; A213-F219 WeakPolarHBondContact O-CG 2.97Å; R214-F219 HydrophobicContact CG-CD1 4.16Å; R214-F219 HydrophobicContact CG-CE1 4.14Å; H216-F219 HydrophobicContact CB-CB 4.13Å; H216-F219 WeakPolarHBondContact O-CB 3.35Å; H216-F219 PolarHBondContact O-N 3.17Å; F219-P221 HydrophobicContact CE1-CG 4.43Å; F219-L224 HydrophobicContact CE2-CD1 4.31Å; F219-L224 HydrophobicContact CE2-CD2 3.92Å; F219-L224 HydrophobicContact CE2-CG 3.87Å; F219-L224 HydrophobicContact CZ-CD1 3.9Å; F219-L224 HydrophobicContact CZ-CD2 4.29Å; F219-L224 HydrophobicContact CZ-CG 3.97Å | ||
| 220 | Q | 76.8 | Confident | 71.8 | Confident | 135 Ų | 135 | 96.9 Ų | 96.9 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | trans | -100.6 | 130.8 | 166 | -60.6 | -172.5 | 10.5 | 0 | 0 | 110.5 | D218 G222 M223 | D218-Q220 PolarHBondContact O-N 3.06Å; Q220-G222 PolarHBondContact O-N 3.31Å; Q220-M223 HydrophobicContact CB-CG 4.16Å; Q220-M223 HydrophobicContact CB-SD 4.18Å; Q220-M223 PolarHBondContact O-N 3Å | ||
| 221 | P | 65.9 | Low | 69 | Low | 87 Ų | 87 | 99.2 Ų | 99.2 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -54.5 | -25.5 | -177.6 | -28.1 | 34.6 | 0 | 0 | 0 | 115.3 | F219 M223 | F219-P221 HydrophobicContact CE1-CG 4.43Å; P221-M223 VanDerWaalsContact C-N 3.34Å; P221-M223 PolarHBondContact O-N 3.44Å |
| 222 | G | 70.8 | Confident | 66.6 | Low | 79 Ų | 79 | 96.8 Ų | 96.8 | 81% | 0.814 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -74.7 | -14.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q220 L224 | Q220-G222 PolarHBondContact O-N 3.31Å; G222-L224 VanDerWaalsContact C-N 3.3Å; G222-L224 PolarHBondContact O-N 3.02Å |
| 223 | M | 67.3 | Low | 64 | Low | 89 Ų | 89 | 101.5 Ų | 101.5 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -83.1 | -3 | -175.7 | -60.3 | -178.7 | 77.9 | 0 | 0 | 113.9 | P197 Q220 P221 K225 | P197-M223 HydrophobicContact CG-CB 4.14Å; Q220-M223 HydrophobicContact CB-CG 4.16Å; Q220-M223 HydrophobicContact CB-SD 4.18Å; Q220-M223 PolarHBondContact O-N 3Å; P221-M223 VanDerWaalsContact C-N 3.34Å; P221-M223 PolarHBondContact O-N 3.44Å; M223-K225 PolarHBondContact O-N 3.42Å; M223-K225 VanDerWaalsContact O-N 3.12Å |
| 224 | L | 68.9 | Low | 61.7 | Low | 42 Ų | 42 | 111.5 Ų | 111.5 | 22% | 0.22 | 61% | 0.612 | C | S | . | * | trans | -73.3 | 105.3 | 179.5 | -68.9 | 175.1 | 0 | 0 | 0 | 110.6 | L209 M210 F219 G222 K226 | L209-L224 HydrophobicContact CD1-CD2 4.14Å; L209-L224 HydrophobicContact CD2-CD2 3.45Å; L209-L224 VanDerWaalsContact CD2-CD2 3.45Å; L209-L224 HydrophobicContact CG-CD2 3.55Å; M210-L224 HydrophobicContact CE-CD1 3.3Å; M210-L224 HydrophobicContact SD-CD1 4.06Å; F219-L224 HydrophobicContact CE2-CD1 4.31Å; F219-L224 HydrophobicContact CE2-CD2 3.92Å; F219-L224 HydrophobicContact CE2-CG 3.87Å; F219-L224 HydrophobicContact CZ-CD1 3.9Å; F219-L224 HydrophobicContact CZ-CD2 4.29Å; F219-L224 HydrophobicContact CZ-CG 3.97Å; G222-L224 VanDerWaalsContact C-N 3.3Å; G222-L224 PolarHBondContact O-N 3.02Å; L224-K226 PolarHBondContact O-N 3.06Å | ||
| 225 | K | 62.7 | Low | 59.3 | Low | 166 Ų | 166 | 107.9 Ų | 107.9 | 72% | 0.722 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 118.8 | 170.2 | -62.9 | -173.8 | -179.3 | -176 | 0 | 108.7 | M223 | M223-K225 PolarHBondContact O-N 3.42Å; M223-K225 VanDerWaalsContact O-N 3.12Å |
| 226 | K | 59.3 | Low | 57.2 | Low | 183 Ų | 183 | 104.4 Ų | 104.4 | 80% | 0.796 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 141.3 | 166.4 | -70.6 | 172.8 | -179.3 | 173.2 | 0 | 107.3 | L224 H228 | L224-K226 PolarHBondContact O-N 3.06Å; K226-H228 PolarHBondContact O-N 2.74Å; K226-H228 VanDerWaalsContact O-N 3.12Å |
| 227 | P | 57.8 | Low | 55.3 | Low | 55 Ų | 55 | 105 Ų | 105 | 36% | 0.357 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 127.2 | 174.5 | 24.4 | -31.8 | 0 | 0 | 0 | 107.2 | K193 F194 G229 | K193-P227 HydrophobicContact CB-CB 4.12Å; F194-P227 HydrophobicContact CD1-CG 4.34Å; F194-P227 VanDerWaalsContact CE1-CD 3.5Å; F194-P227 HydrophobicContact CE1-CG 3.66Å; F194-P227 HydrophobicContact CZ-CG 4.04Å; P227-G229 PolarHBondContact O-N 2.9Å |
| 228 | H | 49.8 | Very low | 54.1 | Low | 177 Ų | 177 | 108.2 Ų | 108.2 | 82% | 0.819 | 63% | 0.634 | S | S | * | * | trans | -60.4 | 93.3 | 167.2 | -71.3 | -83.4 | 0 | 0 | 0 | 106.6 | K226 G230 | K226-H228 PolarHBondContact O-N 2.74Å; K226-H228 VanDerWaalsContact O-N 3.12Å; H228-G230 VanDerWaalsContact C-N 3.28Å; H228-G230 PolarHBondContact O-N 3.29Å; H228-G230 VanDerWaalsContact O-N 3.15Å | ||
| 229 | G | 43.4 | Very low | 52.7 | Low | 60 Ų | 60 | 106.6 Ų | 106.6 | 62% | 0.619 | 63% | 0.632 | S | S | * | * | trans | -66.1 | 103.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 103.5 | P227 S231 | P227-G229 PolarHBondContact O-N 2.9Å; G229-S231 PolarHBondContact O-N 2.96Å | ||
| 230 | G | 32.8 | Very low | 51 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | trans | -50 | 110.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | H228 A232 | H228-G230 VanDerWaalsContact C-N 3.28Å; H228-G230 PolarHBondContact O-N 3.29Å; H228-G230 VanDerWaalsContact O-N 3.15Å; G230-A232 PolarHBondContact O-N 3.44Å | ||
| 231 | S | 32.7 | Very low | 49.4 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -55.2 | 106.9 | 148.3 | 47.7 | 0 | 0 | 0 | 0 | 103.3 | G229 T233 | G229-S231 PolarHBondContact O-N 2.96Å; S231-T233 PolarHBondContact O-N 3.49Å | ||
| 232 | A | 38.8 | Very low | 48.5 | Very low | 91 Ų | 91 | 116 Ų | 116 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | trans | -59.7 | 88 | 151.9 | 0 | 0 | 0 | 0 | 0 | 104.3 | G230 R234 | G230-A232 PolarHBondContact O-N 3.44Å; A232-R234 PolarHBondContact O-N 3.41Å | ||
| 233 | T | 38.7 | Very low | 47.6 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | trans | -55.8 | 104.1 | 151.4 | -9.6 | 0 | 0 | 0 | 0 | 102.2 | S231 P235 | S231-T233 PolarHBondContact O-N 3.49Å; T233-P235 WeakPolarHBondContact O-CD 3.49Å; T233-P235 VanDerWaalsContact O-N 3.08Å | ||
| 234 | R | 38.9 | Very low | 46.2 | Very low | 209 Ų | 209 | 125.1 Ų | 125.1 | 79% | 0.789 | 70% | 0.699 | S | S | * | * | trans | -49.9 | 121.6 | 167.5 | -77.6 | 174.1 | 69.3 | -129.7 | 4.5 | 104.5 | A232 S236 | A232-R234 PolarHBondContact O-N 3.41Å; R234-S236 PolarHBondContact O-N 2.93Å | ||
| 235 | P | 39.8 | Very low | 44.7 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | trans | -59 | 118 | 167.2 | 24 | -28.9 | 0 | 0 | 0 | 105.4 | T233 S237 | T233-P235 WeakPolarHBondContact O-CD 3.49Å; T233-P235 VanDerWaalsContact O-N 3.08Å; P235-S237 PolarHBondContact O-N 2.82Å | ||
| 236 | S | 43.9 | Very low | 43.6 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -74.2 | 0.5 | -177.3 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | R234 | R234-S236 PolarHBondContact O-N 2.93Š|
| 237 | S | 46.1 | Very low | 42.4 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 46% | 0.462 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -160.2 | 151 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | P235 S239 | P235-S237 PolarHBondContact O-N 2.82Å; S237-S239 PolarHBondContact O-N 2.83Å; S237-S239 VanDerWaalsContact O-N 3.16Å; S237-S239 PolarHBondContact OG-N 3.29Å; S237-S239 PolarHBondContact OG-OG 3.33Å |
| 238 | L | 51.1 | Low | 41.3 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 94% | 0.937 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 2.4 | 174 | -84.2 | 159 | 0 | 0 | 0 | 114 | ||
| 239 | S | 47.5 | Very low | 40.7 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -12.8 | -174.6 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | S237 Y241 | S237-S239 PolarHBondContact O-N 2.83Å; S237-S239 VanDerWaalsContact O-N 3.16Å; S237-S239 PolarHBondContact OG-N 3.29Å; S237-S239 PolarHBondContact OG-OG 3.33Å; S239-Y241 VanDerWaalsContact C-N 3.26Å; S239-Y241 PolarHBondContact O-N 3.23Å |
| 240 | D | 38.8 | Very low | 40.4 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 7.7 | -174.9 | -66.9 | -31.6 | 0 | 0 | 0 | 114.1 | S242 | D240-S242 PolarHBondContact O-N 3.06Š|
| 241 | Y | 42.3 | Very low | 40.7 | Very low | 219 Ų | 219 | 130.4 Ų | 130.4 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -10.5 | 176 | -167.8 | -102.4 | 0 | 0 | 0 | 113.6 | S239 | S239-Y241 VanDerWaalsContact C-N 3.26Å; S239-Y241 PolarHBondContact O-N 3.23Å |
| 242 | S | 48.1 | Very low | 41 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -113.7 | 65.1 | -173.5 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | D240 | D240-S242 PolarHBondContact O-N 3.06Š|
| 243 | R | 51.1 | Low | 41.1 | Very low | 242 Ų | 242 | 131.4 Ų | 131.4 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | trans | 178.2 | 92.2 | 146.4 | -102.6 | 165.5 | -176.4 | -170.2 | 1.2 | 109.1 | ||||
| 244 | S | 38.5 | Very low | 41 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -110.3 | 122.6 | 155.1 | -62.9 | 0 | 0 | 0 | 0 | 106.9 | A246 | S244-A246 PolarHBondContact O-N 2.99Š| ||
| 245 | D | 35.7 | Very low | 41.2 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -34.2 | 113.4 | 175.7 | -83.4 | -76.8 | 0 | 0 | 0 | 113.4 | S247 | D245-S247 PolarHBondContact O-N 3.25Š| ||
| 246 | A | 40.2 | Very low | 41.4 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -72.4 | 99.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | S244 | S244-A246 PolarHBondContact O-N 2.99Š| ||
| 247 | S | 35.1 | Very low | 41.8 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -136 | 74.7 | 157.1 | -72.6 | 0 | 0 | 0 | 0 | 107.4 | D245 | D245-S247 PolarHBondContact O-N 3.25Š| ||
| 248 | S | 33.8 | Very low | 41.7 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 132.6 | 162.4 | -67.4 | 0 | 0 | 0 | 0 | 108.2 | T250 | S248-T250 PolarHBondContact O-N 2.77Š| ||
| 249 | P | 38.2 | Very low | 41.5 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -69.7 | 118.1 | 162.8 | 27.7 | -29.6 | 0 | 0 | 0 | 108.8 | I251 | P249-I251 PolarHBondContact O-N 2.86Å; P249-I251 VanDerWaalsContact O-N 3.11Å | ||
| 250 | T | 35.1 | Very low | 41.3 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -60.8 | 107 | 170 | -45.5 | 0 | 0 | 0 | 0 | 108.9 | S248 | S248-T250 PolarHBondContact O-N 2.77Š| ||
| 251 | I | 40.8 | Very low | 42.6 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -100 | 104.8 | 163.9 | -55.9 | -179.3 | 0 | 0 | 0 | 106.2 | P249 | P249-I251 PolarHBondContact O-N 2.86Å; P249-I251 VanDerWaalsContact O-N 3.11Å | ||
| 252 | S | 38.3 | Very low | 42.6 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | -62.7 | 134 | 171.5 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | T254 | S252-T254 PolarHBondContact O-N 3.15Š| ||
| 253 | P | 39.9 | Very low | 42.3 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -76.8 | 112.4 | 169 | 29 | -29.9 | 0 | 0 | 0 | 109.5 | L255 | P253-L255 PolarHBondContact O-N 3.34Å; P253-L255 VanDerWaalsContact O-N 3.14Å | ||
| 254 | T | 38.2 | Very low | 41.8 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -67.7 | 106.9 | 165.4 | -55.7 | 0 | 0 | 0 | 0 | 108.3 | S252 | S252-T254 PolarHBondContact O-N 3.15Š| ||
| 255 | L | 42.8 | Very low | 42 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -58.7 | 134.6 | 163.3 | -79.5 | 148.7 | 0 | 0 | 0 | 109.4 | P253 | P253-L255 PolarHBondContact O-N 3.34Å; P253-L255 VanDerWaalsContact O-N 3.14Å | ||
| 256 | S | 42.9 | Very low | 42.4 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -131.8 | 136.4 | 155.8 | -70.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 257 | P | 53.2 | Low | 42.5 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -82.6 | 145.1 | -162.2 | 31.9 | -34.5 | 0 | 0 | 0 | 112.5 | ||||
| 258 | A | 44.7 | Very low | 43 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -71.1 | 127.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 259 | S | 45.1 | Very low | 43.8 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -141.7 | 99.2 | 158.6 | -63.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 260 | S | 45 | Very low | 44.2 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -69.9 | 167.9 | 139.8 | -49.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 261 | P | 64.6 | Low | 45 | Very low | 202 Ų | 202 | 127.6 Ų | 127.6 | 100% | 1.312 | 82% | 0.822 | S | S | * | * | -109.4 | 0 | 55.5 | 34.7 | -31.6 | 0 | 0 | 0 | 114.9 |
Retrieved 261 of 261 residues in 283.6 ms
(Link to these results)