| 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 | 37.3 | Very low | 47.9 | Very low | 228 Ų | 228 | 161.5 Ų | 161.5 | 100% | 1.123 | 84% | 0.835 | S | S | * | * | 0 | 112.3 | 0 | -174.6 | 176.7 | -171.2 | 0 | 0 | 106.4 | |||||
| 2 | N | 37.2 | Very low | 47.7 | Very low | 141 Ų | 141 | 163.2 Ų | 163.2 | 75% | 0.754 | 83% | 0.831 | S | S | * | * | trans | 62.8 | 155.6 | -171.3 | -54.2 | -15.9 | 0 | 0 | 0 | 113.9 | ||||
| 3 | Q | 44.3 | Very low | 47.2 | Very low | 175 Ų | 175 | 166 Ų | 166 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | cis | -144.4 | 163.9 | -6.8 | -143.9 | 163.5 | 31.7 | 0 | 0 | 111.1 | ||||
| 4 | L | 47.4 | Very low | 47.1 | Very low | 152 Ų | 152 | 164.7 Ų | 164.7 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | trans | -75.2 | 150.4 | 173.8 | -68.8 | 75 | 0 | 0 | 0 | 111.5 | ||||
| 5 | M | 58.3 | Low | 47.3 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 89% | 0.892 | 82% | 0.823 | S | S | * | * | -144 | 116.2 | 127.6 | -79.6 | -149.6 | 179.2 | 0 | 0 | 110.9 | |||||
| 6 | A | 51 | Low | 47.5 | Very low | 91 Ų | 91 | 159.1 Ų | 159.1 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -93.2 | 147.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | K | 55.2 | Low | 47.3 | Very low | 203 Ų | 203 | 161.1 Ų | 161.1 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -132 | 105.4 | 167.1 | -87.7 | -176.2 | 176 | 172.7 | 0 | 110 | ||||
| 8 | D | 51.7 | Low | 47 | Very low | 151 Ų | 151 | 163.8 Ų | 163.8 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -99.4 | 144.9 | 175.8 | -148.7 | -42.2 | 0 | 0 | 0 | 110.8 | ||||
| 9 | K | 52.5 | Low | 46.8 | Very low | 195 Ų | 195 | 166.6 Ų | 166.6 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | trans | 160.1 | 106 | 167.9 | -93.9 | 155.9 | -174.9 | 179 | 0 | 106.9 | ||||
| 10 | S | 42.9 | Very low | 46.6 | Very low | 90 Ų | 90 | 167.2 Ų | 167.2 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | 60.1 | 120.2 | 69.8 | -158.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 11 | L | 48.8 | Very low | 46.1 | Very low | 169 Ų | 169 | 165.1 Ų | 165.1 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | -145.8 | 165.7 | 56.2 | -83.1 | 159.2 | 0 | 0 | 0 | 115.5 | |||||
| 12 | K | 45.4 | Very low | 46 | Very low | 182 Ų | 182 | 159.3 Ų | 159.3 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -83.2 | 159.2 | 177.5 | -53.3 | 166.9 | -177.8 | 173.8 | 0 | 112.5 | ||||
| 13 | K | 41.4 | Very low | 45.7 | Very low | 200 Ų | 200 | 161.6 Ų | 161.6 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | -179.5 | 104.9 | 125.2 | -96.3 | 154.4 | -173.5 | 180 | 0 | 115.4 | |||||
| 14 | N | 45.9 | Very low | 45.1 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 36.3 | 144.4 | 140 | -58.2 | -1 | 0 | 0 | 0 | 124.1 | ||||
| 15 | P | 50 | Low | 44.4 | Very low | 108 Ų | 108 | 159.3 Ų | 159.3 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -92.4 | 162.7 | 171.5 | 38.7 | -36.1 | 0 | 0 | 0 | 114 | ||||
| 16 | P | 51.5 | Low | 43 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -81.3 | 137.3 | 170.2 | 32.7 | -33.1 | 0 | 0 | 0 | 112.6 | ||||
| 17 | K | 43.1 | Very low | 42.1 | Very low | 193 Ų | 193 | 159 Ų | 159 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -108.7 | 136 | 170.5 | -81.8 | -179.6 | 177.6 | 174.4 | 0 | 110.7 | ||||
| 18 | R | 41.7 | Very low | 40.9 | Very low | 209 Ų | 209 | 158.1 Ų | 158.1 | 79% | 0.789 | 80% | 0.801 | S | S | * | * | trans | 45.6 | 126.4 | 148.7 | -52.4 | 173.3 | 99.4 | 170 | 12 | 118.6 | ||||
| 19 | K | 42.9 | Very low | 39.8 | Very low | 217 Ų | 217 | 154.7 Ų | 154.7 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -105 | 143.5 | 134.8 | -88.7 | -171 | 173.3 | -176.9 | 0 | 109.6 | ||||
| 20 | K | 42.9 | Very low | 39 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | -111.1 | 150.7 | 160.4 | -84.5 | -171.6 | 170.3 | -168.1 | 0 | 107.4 | ||||
| 21 | S | 36 | Very low | 38.5 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -143 | 164 | 148.3 | 49.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 22 | S | 36.4 | Very low | 37.7 | Very low | 105 Ų | 105 | 155 Ų | 155 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -160.7 | 169.2 | -162.6 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | F | 29.6 | Very low | 37.2 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 72.5 | 146.1 | 174.8 | -99.8 | -134.5 | 0 | 0 | 0 | 115.3 | ||||
| 24 | N | 32.2 | Very low | 36.7 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 55% | 0.545 | 78% | 0.782 | S | S | . | * | cis | -152.3 | -163 | -13.1 | -150 | 47.9 | 0 | 0 | 0 | 113.3 | ||||
| 25 | E | 33.9 | Very low | 36.3 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -73.9 | 174.9 | -172.3 | -61.3 | 154.7 | 109.8 | 0 | 0 | 116.6 | ||||
| 26 | G | 28.9 | Very low | 35.7 | Very low | 67 Ų | 67 | 155.6 Ų | 155.6 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | 130 | 101.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 27 | E | 30.7 | Very low | 35 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | 81.7 | 133.3 | 63.8 | -68.5 | -158.3 | 131 | 0 | 0 | 115.8 | |||||
| 28 | E | 30.1 | Very low | 34.8 | Very low | 186 Ų | 186 | 159.3 Ų | 159.3 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 59.7 | 124.6 | 163.7 | -85.7 | -144.5 | 96.6 | 0 | 0 | 125.9 | ||||
| 29 | A | 29.6 | Very low | 34.5 | Very low | 79 Ų | 79 | 158.3 Ų | 158.3 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | 93.1 | 153.4 | 119.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 30 | M | 35 | Very low | 33.9 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | 50.7 | 115.9 | 178.9 | 72.8 | 175.1 | -170.9 | 0 | 0 | 118.8 | ||||
| 31 | E | 31.9 | Very low | 33.6 | Very low | 131 Ų | 131 | 151 Ų | 151 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | 66 | 112.7 | 60.6 | -75.7 | -149.7 | 98.7 | 0 | 0 | 116.7 | K33 | E31-K33 WeakPolarHBondContact OE1-CE 3.45Å; E31-K33 VanDerWaalsContact OE1-CG 3.28Å; E31-K33 WeakPolarHBondContact OE1-CG 3.5Å; E31-K33 IonicContact OE1-NZ 2.75Å; E31-K33 PolarHBondContact OE1-NZ 3.49Å; E31-K33 IonicContact OE2-NZ 2.61Å; E31-K33 PolarHBondContact OE2-NZ 3.21Å | |||
| 32 | T | 32.4 | Very low | 33.4 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | trans | -129.2 | 142.6 | 133.9 | 47.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | K | 34.2 | Very low | 33.5 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | trans | -109.7 | 152.6 | -166.8 | -60.9 | 172.6 | 168.9 | 70.2 | 0 | 112 | E31 | E31-K33 WeakPolarHBondContact OE1-CE 3.45Å; E31-K33 VanDerWaalsContact OE1-CG 3.28Å; E31-K33 WeakPolarHBondContact OE1-CG 3.5Å; E31-K33 IonicContact OE1-NZ 2.75Å; E31-K33 PolarHBondContact OE1-NZ 3.49Å; E31-K33 IonicContact OE2-NZ 2.61Å; E31-K33 PolarHBondContact OE2-NZ 3.21Å | ||
| 34 | T | 31.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 154 Ų | 154 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | -163 | 121.2 | 126.5 | 23.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 35 | K | 38.2 | Very low | 34.2 | Very low | 183 Ų | 183 | 157 Ų | 157 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 49.9 | 116 | 130.2 | -64.9 | 169.2 | -172.7 | 167.3 | 0 | 117.1 | ||||
| 36 | K | 37 | Very low | 34.2 | Very low | 201 Ų | 201 | 154.2 Ų | 154.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | 179 | 169.5 | 60.2 | -102.8 | 162.4 | -179.3 | 178.9 | 0 | 107.4 | |||||
| 37 | K | 37 | Very low | 34.7 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | cis | -167.4 | 109.3 | -7.1 | 144.7 | -104.5 | 160.1 | -166.4 | 0 | 110.4 | ||||
| 38 | R | 39 | Very low | 34.8 | Very low | 235 Ų | 235 | 153 Ų | 153 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | 59.8 | 152.6 | 158 | -63.3 | 178.3 | 178.5 | 178.4 | -1.8 | 118.5 | ||||
| 39 | K | 34.8 | Very low | 34.9 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | cis | -165.5 | 149.7 | -18.5 | 171 | -179.8 | 176.2 | -168.1 | 0 | 107.8 | ||||
| 40 | H | 30.1 | Very low | 35.4 | Very low | 145 Ų | 145 | 156.9 Ų | 156.9 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -6.7 | 143.2 | 150.1 | -110.2 | -122.4 | 0 | 0 | 0 | 116.7 | E42 | H40-E42 IonicContact CE1-OE2 3.59Å; H40-E42 IonicContact ND1-OE2 3.87Å | ||
| 41 | V | 37 | Very low | 35.5 | Very low | 98 Ų | 98 | 154.4 Ų | 154.4 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | cis | 175.4 | -159.8 | 8.2 | 57.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 42 | E | 31.5 | Very low | 35.1 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -154.3 | 154.7 | 11.4 | -140.5 | 111.2 | 51.6 | 0 | 0 | 110 | H40 | H40-E42 IonicContact CE1-OE2 3.59Å; H40-E42 IonicContact ND1-OE2 3.87Å | ||
| 43 | V | 38.4 | Very low | 34.9 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -150.5 | 133.4 | 165.7 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | E | 38.6 | Very low | 34.7 | Very low | 193 Ų | 193 | 151 Ų | 151 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -150.5 | 174.3 | 163.6 | -96.4 | -128.1 | 108.3 | 0 | 0 | 110.5 | ||||
| 45 | E | 37.5 | Very low | 34.8 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -115.3 | 141.1 | -146.9 | -88.9 | -162.2 | 96.6 | 0 | 0 | 118.4 | ||||
| 46 | T | 33.7 | Very low | 34.9 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 67.7 | 173.4 | 146.8 | 69.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 47 | P | 39.2 | Very low | 34.5 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -130.1 | 156.7 | -2.6 | 38.5 | -21.5 | 0 | 0 | 0 | 118.1 | ||||
| 48 | V | 32.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | 45.4 | 117 | 144.7 | -176.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 49 | Q | 32.7 | Very low | 34.1 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | -171.8 | 151.3 | 122 | -106.8 | 168.4 | 106.7 | 0 | 0 | 113.5 | |||||
| 50 | I | 41.1 | Very low | 34 | Very low | 163 Ų | 163 | 141 Ų | 141 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -137.7 | 131.3 | 169.8 | -61.2 | 174.4 | 0 | 0 | 0 | 108.2 | ||||
| 51 | P | 36.6 | Very low | 34 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -127.8 | 155.8 | 140.7 | 8.1 | 14.3 | 0 | 0 | 0 | 113.5 | ||||
| 52 | C | 24.3 | Very low | 33.8 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 72% | 0.716 | 78% | 0.778 | S | S | * | * | trans | -82.6 | 163.9 | -163.5 | -154.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 53 | V | 28 | Very low | 33.8 | Very low | 130 Ų | 130 | 145 Ų | 145 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | 57.4 | 147.9 | 163.2 | -70.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 54 | T | 29.3 | Very low | 33.8 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | cis | -150.2 | 155.5 | 41 | 49.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 55 | N | 34.4 | Very low | 33.6 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -88.8 | 158.1 | 157.4 | -54.8 | -32.9 | 0 | 0 | 0 | 109.5 | ||||
| 56 | P | 39.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | -122.5 | 161.1 | 66.6 | 3.6 | 21.2 | 0 | 0 | 0 | 113.3 | |||||
| 57 | D | 29.5 | Very low | 33.7 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 74.2 | 109.4 | 63 | -155 | -74.9 | 0 | 0 | 0 | 115.5 | |||||
| 58 | E | 36 | Very low | 33.4 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -159.4 | 167.3 | 137.8 | -132.4 | -169.9 | 146.1 | 0 | 0 | 111.3 | ||||
| 59 | E | 32.2 | Very low | 33.4 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 62% | 0.621 | 75% | 0.753 | S | S | * | * | trans | -117.2 | -165.6 | -164.3 | -149.9 | -126.4 | 141.7 | 0 | 0 | 114.5 | K62 | E59-K62 IonicContact OE1-NZ 3.72Å; E59-K62 PolarHBondContact OE1-NZ 3.3Å | ||
| 60 | I | 31.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 68% | 0.677 | 75% | 0.753 | S | S | * | * | trans | 73.7 | 114.1 | 160.9 | -62.9 | 151.8 | 0 | 0 | 0 | 115.1 | ||||
| 61 | S | 31.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | -162.6 | 156.5 | 73.5 | 43.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 62 | K | 32.7 | Very low | 32.7 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | -133.6 | 130 | -177.2 | -61.9 | 161.2 | 179.5 | 109.4 | 0 | 109.3 | E59 | E59-K62 IonicContact OE1-NZ 3.72Å; E59-K62 PolarHBondContact OE1-NZ 3.3Å | ||
| 63 | K | 31.3 | Very low | 33.1 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 177.2 | 153.5 | 159.4 | -100.9 | 177.5 | 176.7 | 175.5 | 0 | 108.9 | ||||
| 64 | D | 38.6 | Very low | 33.4 | Very low | 97 Ų | 97 | 151.8 Ų | 151.8 | 52% | 0.519 | 75% | 0.751 | S | S | . | * | cis | -137.4 | 139.7 | -9.2 | -114.3 | -50.1 | 0 | 0 | 0 | 106 | ||||
| 65 | K | 34.9 | Very low | 33.4 | Very low | 167 Ų | 167 | 152 Ų | 152 | 73% | 0.726 | 75% | 0.752 | S | S | * | * | 58.6 | 134 | 94.3 | -149.3 | -176.8 | -77.7 | 134 | 0 | 111.9 | |||||
| 66 | K | 33.8 | Very low | 33.4 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 73% | 0.726 | 75% | 0.75 | S | S | * | * | -176.4 | 117.9 | 59.4 | -172.8 | 170.2 | 179.6 | -175.2 | 0 | 115.7 | |||||
| 67 | L | 37.9 | Very low | 33.1 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | trans | 66.7 | 163.3 | 153.8 | -52.5 | 172.3 | 0 | 0 | 0 | 118 | ||||
| 68 | K | 33 | Very low | 33.4 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | cis | -159.7 | 133.1 | -25.2 | -110.5 | 176 | 176.2 | 166.2 | 0 | 105.7 | ||||
| 69 | K | 33.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 70% | 0.7 | 74% | 0.743 | S | S | * | * | 99.2 | 103.4 | 60.8 | -178.2 | -162.3 | 171.8 | -177.6 | 0 | 113.3 | |||||
| 70 | K | 33 | Very low | 33.3 | Very low | 195 Ų | 195 | 152.9 Ų | 152.9 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | 69.1 | 156.9 | 156.4 | -67 | -171.8 | 177.7 | -169.1 | 0 | 115.3 | ||||
| 71 | K | 31.8 | Very low | 33.3 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | cis | -140.2 | 163.7 | 27.1 | -159 | -168.3 | 174.5 | -164.2 | 0 | 113.4 | ||||
| 72 | K | 31.3 | Very low | 33.9 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -66.2 | 171.5 | 160 | -61.8 | -173.6 | 174.5 | -172.9 | 0 | 109.2 | ||||
| 73 | E | 32.7 | Very low | 34 | Very low | 164 Ų | 164 | 153.6 Ų | 153.6 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | 176.7 | 160.2 | 54.2 | -157.1 | 165.6 | 149 | 0 | 0 | 111.8 | |||||
| 74 | A | 34.1 | Very low | 34.3 | Very low | 87 Ų | 87 | 153.2 Ų | 153.2 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | trans | 63.8 | 155.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 75 | T | 30.2 | Very low | 34 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | cis | -158.8 | 165 | -23.4 | -88.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 76 | R | 34.5 | Very low | 34.3 | Very low | 206 Ų | 206 | 153.1 Ų | 153.1 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -62.7 | 179.9 | 172.4 | -54.9 | 136.2 | 149.3 | -148.4 | 2 | 112.5 | ||||
| 77 | E | 32.6 | Very low | 35 | Very low | 156 Ų | 156 | 153.2 Ų | 153.2 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | cis | -134.1 | -164.4 | 12.1 | -68.5 | -70.2 | 163.8 | 0 | 0 | 110.1 | ||||
| 78 | A | 36.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 156.2 Ų | 156.2 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -83.8 | 161.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 79 | D | 30.4 | Very low | 35.4 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | -160.9 | -172.2 | 114.8 | -157.5 | -163.9 | 0 | 0 | 0 | 111.7 | |||||
| 80 | L | 35.9 | Very low | 35.5 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -109.6 | 176.6 | -160.1 | -69.1 | 163.9 | 0 | 0 | 0 | 116.5 | ||||
| 81 | D | 30.9 | Very low | 35.7 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | trans | 69.5 | 103.4 | 167.8 | -164.6 | 68.4 | 0 | 0 | 0 | 120.3 | ||||
| 82 | R | 43.5 | Very low | 36.2 | Very low | 217 Ų | 217 | 146.3 Ų | 146.3 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | -161.5 | 126.7 | 114.5 | -167 | 101.6 | -67.7 | -124.4 | 3.8 | 110.9 | |||||
| 83 | T | 33.8 | Very low | 37.1 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 63% | 0.632 | 78% | 0.777 | S | S | * | * | trans | -66.4 | 131.2 | 172.6 | -54 | 0 | 0 | 0 | 0 | 113.2 | L85 | T83-L85 HydrophobicContact CG2-CD1 4.16Š| ||
| 84 | E | 37.1 | Very low | 37.6 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -144.5 | 138.9 | 133.7 | -70.2 | -157.8 | 158.2 | 0 | 0 | 108.9 | ||||
| 85 | L | 33.7 | Very low | 38.3 | Very low | 132 Ų | 132 | 141 Ų | 141 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | -82.1 | 141 | 170.4 | -85.1 | 70.4 | 0 | 0 | 0 | 108.9 | T83 E87 | T83-L85 HydrophobicContact CG2-CD1 4.16Å; L85-E87 HydrophobicContact CD2-CG 4.25Å | ||
| 86 | P | 41.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | -109.5 | 155.1 | 110.7 | -17.1 | 33.3 | 0 | 0 | 0 | 113.8 | |||||
| 87 | E | 47.5 | Very low | 40.6 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -89.1 | 127.3 | 175.4 | -58.3 | 173.5 | 152.7 | 0 | 0 | 110 | L85 | L85-E87 HydrophobicContact CD2-CG 4.25Š| ||
| 88 | E | 40 | Very low | 42.2 | Very low | 194 Ų | 194 | 130 Ų | 130 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | trans | -142.3 | 131.6 | 151.4 | -83.8 | -151 | 131.1 | 0 | 0 | 109.6 | G90 | E88-G90 PolarHBondContact O-N 3.49Š| ||
| 89 | D | 38.9 | Very low | 43.4 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 95% | 0.947 | 72% | 0.724 | S | S | * | * | trans | -63.7 | 121.7 | 177.6 | -69.2 | -96.7 | 0 | 0 | 0 | 111.9 | ||||
| 90 | G | 35.3 | Very low | 45.3 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -138.9 | 32.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | E88 S92 | E88-G90 PolarHBondContact O-N 3.49Å; G90-S92 PolarHBondContact O-N 2.68Å | ||
| 91 | D | 37.5 | Very low | 47 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | trans | -57.3 | 108.3 | 177.8 | 179.5 | 39.9 | 0 | 0 | 0 | 111 | E93 | D91-E93 WeakPolarHBondContact OD1-CB 3.39Å; D91-E93 PolarHBondContact OD1-N 2.82Å | ||
| 92 | S | 41.9 | Very low | 49.2 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | trans | -105.6 | 28.2 | 177.9 | -135.9 | 0 | 0 | 0 | 0 | 112.3 | G90 G94 | G90-S92 PolarHBondContact O-N 2.68Å; S92-G94 PolarHBondContact O-N 3.41Å | ||
| 93 | E | 50.5 | Low | 50.6 | Low | 159 Ų | 159 | 120.6 Ų | 120.6 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | trans | -67.9 | 47.9 | 154.1 | -78.3 | -69.5 | 131.9 | 0 | 0 | 111.2 | D91 P95 | D91-E93 WeakPolarHBondContact OD1-CB 3.39Å; D91-E93 PolarHBondContact OD1-N 2.82Å; E93-P95 WeakPolarHBondContact O-CD 3.37Å; E93-P95 VanDerWaalsContact O-N 3.08Å | ||
| 94 | G | 43 | Very low | 52.3 | Low | 50 Ų | 50 | 120 Ų | 120 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | trans | -55 | 115 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | S92 L96 | S92-G94 PolarHBondContact O-N 3.41Å; G94-L96 PolarHBondContact O-N 3.25Å | ||
| 95 | P | 49.3 | Very low | 54.2 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -69.9 | 98.9 | -163.6 | 24.8 | -34.5 | 0 | 0 | 0 | 110.5 | E93 T97 | E93-P95 WeakPolarHBondContact O-CD 3.37Å; E93-P95 VanDerWaalsContact O-N 3.08Å; P95-T97 PolarHBondContact O-N 3.33Å | ||
| 96 | L | 51.2 | Low | 56.4 | Low | 85 Ų | 85 | 116.8 Ų | 116.8 | 45% | 0.445 | 63% | 0.63 | S | S | . | * | trans | -39.3 | 133.9 | 179.4 | -69.6 | 171.2 | 0 | 0 | 0 | 110.7 | G94 K101 L104 | G94-L96 PolarHBondContact O-N 3.25Å; L96-K101 HydrophobicContact CB-CD 4.37Å; L96-K101 HydrophobicContact CB-CG 3.87Å; L96-K101 WeakPolarHBondContact O-CD 3.4Å; L96-K101 WeakPolarHBondContact O-CE 3.23Å; L96-K101 PolarHBondContact O-NZ 2.9Å; L96-L104 HydrophobicContact CD1-CD1 4.12Å | ||
| 97 | T | 61.3 | Low | 58.2 | Low | 68 Ų | 68 | 116.5 Ų | 116.5 | 42% | 0.417 | 62% | 0.615 | S | S | . | * | trans | -60.5 | 153.5 | -169.5 | 63.7 | 0 | 0 | 0 | 0 | 111 | P95 E99 E100 K101 | P95-T97 PolarHBondContact O-N 3.33Å; T97-E99 PolarHBondContact O-N 3.47Å; T97-E100 VanDerWaalsContact CB-OE2 3.3Å; T97-E100 WeakPolarHBondContact CB-OE2 3.45Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.22Å; T97-E100 PolarHBondContact N-OE2 3.42Å; T97-E100 PolarHBondContact O-N 3.28Å; T97-E100 VanDerWaalsContact O-N 3.1Å; T97-E100 VanDerWaalsContact OG1-CD 3.31Å; T97-E100 VanDerWaalsContact OG1-CG 3.29Å; T97-E100 WeakPolarHBondContact OG1-CG 3.42Å; T97-E100 PolarHBondContact OG1-N 2.64Å; T97-E100 PolarHBondContact OG1-OE2 3.47Å; T97-K101 PolarHBondContact O-N 2.96Å | ||
| 98 | P | 66.8 | Low | 59.6 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 69% | 0.688 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -55.8 | -21.9 | 177 | -27.3 | 35.9 | 0 | 0 | 0 | 113.8 | R102 | P98-R102 WeakPolarHBondContact O-CD 3.4Å; P98-R102 WeakPolarHBondContact O-CG 3.26Å |
| 99 | E | 61.5 | Low | 61.6 | Low | 143 Ų | 143 | 111.8 Ų | 111.8 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79 | -48.1 | 174.6 | -175.8 | 144.6 | -151.8 | 0 | 0 | 112.5 | T97 K101 R102 V103 | T97-E99 PolarHBondContact O-N 3.47Å; E99-K101 PolarHBondContact O-N 3.5Å; E99-R102 PolarHBondContact O-N 2.92Å; E99-V103 WeakPolarHBondContact O-CG2 3.35Å; E99-V103 PolarHBondContact O-N 2.98Å |
| 100 | E | 69.8 | Low | 63.8 | Low | 92 Ų | 92 | 111.3 Ų | 111.3 | 43% | 0.43 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.7 | -45.2 | 177.1 | -69.9 | 164.5 | 121.2 | 0 | 0 | 112 | T97 R102 V103 L104 | T97-E100 VanDerWaalsContact CB-OE2 3.3Å; T97-E100 WeakPolarHBondContact CB-OE2 3.45Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.22Å; T97-E100 PolarHBondContact N-OE2 3.42Å; T97-E100 PolarHBondContact O-N 3.28Å; T97-E100 VanDerWaalsContact O-N 3.1Å; T97-E100 VanDerWaalsContact OG1-CD 3.31Å; T97-E100 VanDerWaalsContact OG1-CG 3.29Å; T97-E100 WeakPolarHBondContact OG1-CG 3.42Å; T97-E100 PolarHBondContact OG1-N 2.64Å; T97-E100 PolarHBondContact OG1-OE2 3.47Å; E100-R102 VanDerWaalsContact C-N 3.28Å; E100-R102 PolarHBondContact O-N 3.18Å; E100-V103 PolarHBondContact O-N 2.95Å; E100-L104 WeakPolarHBondContact O-CG 3.34Å; E100-L104 PolarHBondContact O-N 3.31Å |
| 101 | K | 72.3 | Confident | 65.9 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 47% | 0.47 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -54.2 | -44.9 | 174.5 | -75.5 | 174.4 | 169.1 | 138.2 | 0 | 111.2 | L96 T97 E99 L104 E105 | L96-K101 HydrophobicContact CB-CD 4.37Å; L96-K101 HydrophobicContact CB-CG 3.87Å; L96-K101 WeakPolarHBondContact O-CD 3.4Å; L96-K101 WeakPolarHBondContact O-CE 3.23Å; L96-K101 PolarHBondContact O-NZ 2.9Å; T97-K101 PolarHBondContact O-N 2.96Å; E99-K101 PolarHBondContact O-N 3.5Å; K101-L104 PolarHBondContact O-N 2.79Å; K101-E105 WeakPolarHBondContact O-CB 3.46Å; K101-E105 PolarHBondContact O-N 3.12Å |
| 102 | R | 76.1 | Confident | 68.1 | Low | 141 Ų | 141 | 115.4 Ų | 115.4 | 53% | 0.532 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.6 | -33.3 | 176.7 | -69 | 166.8 | 86.5 | -157.9 | 12.1 | 112.9 | P98 E99 E100 R106 | P98-R102 WeakPolarHBondContact O-CD 3.4Å; P98-R102 WeakPolarHBondContact O-CG 3.26Å; E99-R102 PolarHBondContact O-N 2.92Å; E100-R102 VanDerWaalsContact C-N 3.28Å; E100-R102 PolarHBondContact O-N 3.18Å; R102-R106 WeakPolarHBondContact O-CB 3.45Å; R102-R106 VanDerWaalsContact O-CD 3.24Å; R102-R106 WeakPolarHBondContact O-CD 3.4Å; R102-R106 WeakPolarHBondContact O-CG 3.4Å; R102-R106 PolarHBondContact O-N 2.86Å |
| 103 | V | 73.6 | Confident | 70 | Confident | 54 Ų | 54 | 117 Ų | 117 | 33% | 0.327 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.1 | -42.8 | 174.7 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | E99 E100 R106 K107 | E99-V103 WeakPolarHBondContact O-CG2 3.35Å; E99-V103 PolarHBondContact O-N 2.98Å; E100-V103 PolarHBondContact O-N 2.95Å; V103-R106 PolarHBondContact O-N 3.49Å; V103-K107 HydrophobicContact CG1-CD 4.25Å; V103-K107 WeakPolarHBondContact O-CG 3.29Å; V103-K107 PolarHBondContact O-N 3.09Å |
| 104 | L | 70.2 | Confident | 71.6 | Confident | 90 Ų | 90 | 117.6 Ų | 117.6 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66 | -45.7 | 176.2 | -67.9 | 172.8 | 0 | 0 | 0 | 111.5 | L96 E100 K101 R106 K107 L108 | L96-L104 HydrophobicContact CD1-CD1 4.12Å; E100-L104 WeakPolarHBondContact O-CG 3.34Å; E100-L104 PolarHBondContact O-N 3.31Å; K101-L104 PolarHBondContact O-N 2.79Å; L104-R106 PolarHBondContact O-N 3.01Å; L104-K107 WeakPolarHBondContact O-CB 3.39Å; L104-K107 PolarHBondContact O-N 2.9Å; L104-K107 VanDerWaalsContact O-N 3.15Å; L104-L108 WeakPolarHBondContact O-CB 3.33Å; L104-L108 PolarHBondContact O-N 3.41Å |
| 105 | E | 76.8 | Confident | 73.4 | Confident | 108 Ų | 108 | 119.4 Ų | 119.4 | 51% | 0.505 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.2 | -47.7 | 174.4 | -167.7 | -141.1 | 150.9 | 0 | 0 | 111.5 | K101 K107 L108 K109 | K101-E105 WeakPolarHBondContact O-CB 3.46Å; K101-E105 PolarHBondContact O-N 3.12Å; E105-K107 PolarHBondContact O-N 2.99Å; E105-L108 PolarHBondContact O-N 2.99Å; E105-K109 VanDerWaalsContact O-CB 3.26Å; E105-K109 WeakPolarHBondContact O-CB 3.25Å; E105-K109 PolarHBondContact O-N 3.02Å |
| 106 | R | 79.4 | Confident | 74.7 | Confident | 143 Ų | 143 | 120.1 Ų | 120.1 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -39.8 | 176.6 | -73.7 | 164.8 | 179.4 | 168.3 | -4.4 | 112.5 | R102 V103 L104 K110 | R102-R106 WeakPolarHBondContact O-CB 3.45Å; R102-R106 VanDerWaalsContact O-CD 3.24Å; R102-R106 WeakPolarHBondContact O-CD 3.4Å; R102-R106 WeakPolarHBondContact O-CG 3.4Å; R102-R106 PolarHBondContact O-N 2.86Å; V103-R106 PolarHBondContact O-N 3.49Å; L104-R106 PolarHBondContact O-N 3.01Å; R106-K110 VanDerWaalsContact O-CB 3.32Å; R106-K110 WeakPolarHBondContact O-CB 3.36Å; R106-K110 PolarHBondContact O-N 3.42Å; R106-K110 VanDerWaalsContact O-N 3.16Å |
| 107 | K | 78.7 | Confident | 75.9 | Confident | 122 Ų | 122 | 123 Ų | 123 | 53% | 0.53 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.9 | -50.6 | 174.4 | -75.2 | 170.5 | 180 | 176.4 | 0 | 110.6 | V103 L104 E105 K109 K110 I111 | V103-K107 HydrophobicContact CG1-CD 4.25Å; V103-K107 WeakPolarHBondContact O-CG 3.29Å; V103-K107 PolarHBondContact O-N 3.09Å; L104-K107 WeakPolarHBondContact O-CB 3.39Å; L104-K107 PolarHBondContact O-N 2.9Å; L104-K107 VanDerWaalsContact O-N 3.15Å; E105-K107 PolarHBondContact O-N 2.99Å; K107-K109 PolarHBondContact O-N 2.92Å; K107-K110 WeakPolarHBondContact O-CB 3.49Å; K107-K110 PolarHBondContact O-N 2.98Å; K107-K110 VanDerWaalsContact O-N 3.14Å; K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.77Å |
| 108 | L | 78.4 | Confident | 76.7 | Confident | 121 Ų | 121 | 125.2 Ų | 125.2 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.7 | -42.3 | -177.4 | -165.8 | 65.9 | 0 | 0 | 0 | 112.1 | L104 E105 K110 I111 R112 | L104-L108 WeakPolarHBondContact O-CB 3.33Å; L104-L108 PolarHBondContact O-N 3.41Å; E105-L108 PolarHBondContact O-N 2.99Å; L108-K110 VanDerWaalsContact C-N 3.3Å; L108-K110 PolarHBondContact O-N 3.22Å; L108-I111 PolarHBondContact O-N 2.81Å; L108-R112 PolarHBondContact O-N 3.23Å |
| 109 | K | 82.1 | Confident | 77 | Confident | 144 Ų | 144 | 125.9 Ų | 125.9 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.8 | -35.9 | 174 | -165.2 | 169 | -165.7 | 161.3 | 0 | 112.5 | E105 K107 K113 | E105-K109 VanDerWaalsContact O-CB 3.26Å; E105-K109 WeakPolarHBondContact O-CB 3.25Å; E105-K109 PolarHBondContact O-N 3.02Å; K107-K109 PolarHBondContact O-N 2.92Å; K109-K113 VanDerWaalsContact O-CB 3.31Å; K109-K113 WeakPolarHBondContact O-CB 3.31Å; K109-K113 PolarHBondContact O-N 3.13Å; K109-K113 VanDerWaalsContact O-N 3.12Å |
| 110 | K | 84 | Confident | 77.3 | Confident | 166 Ų | 166 | 124.3 Ų | 124.3 | 72% | 0.722 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.6 | -34.4 | 174.9 | -171.8 | 177.9 | -179.2 | -178.4 | 0 | 112.4 | R106 K107 L108 K114 | R106-K110 VanDerWaalsContact O-CB 3.32Å; R106-K110 WeakPolarHBondContact O-CB 3.36Å; R106-K110 PolarHBondContact O-N 3.42Å; R106-K110 VanDerWaalsContact O-N 3.16Å; K107-K110 WeakPolarHBondContact O-CB 3.49Å; K107-K110 PolarHBondContact O-N 2.98Å; K107-K110 VanDerWaalsContact O-N 3.14Å; L108-K110 VanDerWaalsContact C-N 3.3Å; L108-K110 PolarHBondContact O-N 3.22Å; K110-K114 WeakPolarHBondContact O-CB 3.44Å; K110-K114 PolarHBondContact O-N 3.13Å |
| 111 | I | 79.9 | Confident | 77.2 | Confident | 101 Ų | 101 | 127.2 Ų | 127.2 | 52% | 0.518 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.5 | -55.6 | 173.2 | -67.9 | 163.4 | 0 | 0 | 0 | 109.9 | K107 L108 K113 K114 E115 | K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.77Å; L108-I111 PolarHBondContact O-N 2.81Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.36Å; I111-K114 WeakPolarHBondContact O-CA 3.5Å; I111-K114 WeakPolarHBondContact O-CB 3.45Å; I111-K114 PolarHBondContact O-N 3.36Å; I111-E115 PolarHBondContact O-N 2.97Å |
| 112 | R | 82.9 | Confident | 76.9 | Confident | 194 Ų | 194 | 128 Ų | 128 | 73% | 0.732 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -53.6 | -45.9 | 179.1 | -172.9 | 174 | 177.6 | 174 | 0.6 | 112 | L108 K114 E115 E116 | L108-R112 PolarHBondContact O-N 3.23Å; R112-K114 VanDerWaalsContact C-N 3.32Å; R112-K114 PolarHBondContact O-N 3.38Å; R112-E115 PolarHBondContact O-N 3.41Å; R112-E116 VanDerWaalsContact O-CB 3.24Å; R112-E116 WeakPolarHBondContact O-CB 3.35Å; R112-E116 PolarHBondContact O-N 2.91Å |
| 113 | K | 82.6 | Confident | 76.3 | Confident | 151 Ų | 151 | 125.2 Ų | 125.2 | 66% | 0.657 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.7 | -25.3 | 176.5 | -172.9 | 165.4 | -175.9 | 166.2 | 0 | 114.2 | K109 I111 K117 | K109-K113 VanDerWaalsContact O-CB 3.31Å; K109-K113 WeakPolarHBondContact O-CB 3.31Å; K109-K113 PolarHBondContact O-N 3.13Å; K109-K113 VanDerWaalsContact O-N 3.12Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.36Å; K113-K117 WeakPolarHBondContact O-CB 3.17Å; K113-K117 PolarHBondContact O-N 3.15Å |
| 114 | K | 84.1 | Confident | 75.5 | Confident | 170 Ų | 170 | 125.8 Ų | 125.8 | 74% | 0.739 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77 | -40.5 | 172.3 | -174.3 | -172 | 176.1 | -167.7 | 0 | 110.9 | K110 I111 R112 K118 | K110-K114 WeakPolarHBondContact O-CB 3.44Å; K110-K114 PolarHBondContact O-N 3.13Å; I111-K114 WeakPolarHBondContact O-CA 3.5Å; I111-K114 WeakPolarHBondContact O-CB 3.45Å; I111-K114 PolarHBondContact O-N 3.36Å; R112-K114 VanDerWaalsContact C-N 3.32Å; R112-K114 PolarHBondContact O-N 3.38Å; K114-K118 PolarHBondContact O-N 2.99Å |
| 115 | E | 79.8 | Confident | 74.8 | Confident | 89 Ų | 89 | 131 Ų | 131 | 42% | 0.416 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70 | -46 | 179.7 | -167.5 | -161.7 | 140.7 | 0 | 0 | 112 | I111 R112 K117 K118 K119 | I111-E115 PolarHBondContact O-N 2.97Å; R112-E115 PolarHBondContact O-N 3.41Å; E115-K117 VanDerWaalsContact C-N 3.3Å; E115-K117 PolarHBondContact O-N 3.27Å; E115-K118 CarbonylContact O-C 3.54Å; E115-K118 WeakPolarHBondContact O-CA 3.41Å; E115-K118 WeakPolarHBondContact O-CB 3.4Å; E115-K118 PolarHBondContact O-N 3.22Å; E115-K119 HydrophobicContact CG-CD 4.42Å; E115-K119 PolarHBondContact O-N 2.96Å; E115-K119 VanDerWaalsContact OE1-CE 3.26Å; E115-K119 WeakPolarHBondContact OE1-CE 3.48Å; E115-K119 IonicContact OE1-NZ 3.01Å; E115-K119 PolarHBondContact OE1-NZ 3.4Å |
| 116 | E | 77.3 | Confident | 73.7 | Confident | 126 Ų | 126 | 129 Ų | 129 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.4 | -45 | 172.2 | -178.4 | -177.9 | -164.8 | 0 | 0 | 111.2 | R112 K118 K119 L120 | R112-E116 VanDerWaalsContact O-CB 3.24Å; R112-E116 WeakPolarHBondContact O-CB 3.35Å; R112-E116 PolarHBondContact O-N 2.91Å; E116-K118 VanDerWaalsContact C-N 3.29Å; E116-K118 PolarHBondContact O-N 3.36Å; E116-K119 PolarHBondContact O-N 3.07Å; E116-L120 WeakPolarHBondContact O-CB 3.49Å; E116-L120 PolarHBondContact O-N 3.04Å |
| 117 | K | 76.6 | Confident | 72.4 | Confident | 145 Ų | 145 | 128.4 Ų | 128.4 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70 | -19.4 | 174.3 | -174 | 168.2 | -179.5 | 173.7 | 0 | 113.8 | K113 E115 K121 | K113-K117 WeakPolarHBondContact O-CB 3.17Å; K113-K117 PolarHBondContact O-N 3.15Å; E115-K117 VanDerWaalsContact C-N 3.3Å; E115-K117 PolarHBondContact O-N 3.27Å; K117-K121 WeakPolarHBondContact O-CG 3.37Å |
| 118 | K | 76.9 | Confident | 71.1 | Confident | 115 Ų | 115 | 128.1 Ų | 128.1 | 50% | 0.5 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -76.8 | -53.2 | 167.4 | -179.4 | 178.2 | 178.9 | -80.7 | 0 | 109.5 | K114 E115 E116 L120 K121 E122 | K114-K118 PolarHBondContact O-N 2.99Å; E115-K118 CarbonylContact O-C 3.54Å; E115-K118 WeakPolarHBondContact O-CA 3.41Å; E115-K118 WeakPolarHBondContact O-CB 3.4Å; E115-K118 PolarHBondContact O-N 3.22Å; E116-K118 VanDerWaalsContact C-N 3.29Å; E116-K118 PolarHBondContact O-N 3.36Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.19Å; K118-K121 WeakPolarHBondContact O-CA 3.44Å; K118-K121 WeakPolarHBondContact O-CB 3.47Å; K118-K121 PolarHBondContact O-N 2.69Å; K118-E122 IonicContact NZ-OE1 2.65Å; K118-E122 PolarHBondContact NZ-OE1 3.49Å; K118-E122 IonicContact NZ-OE2 3.93Å; K118-E122 PolarHBondContact NZ-OE2 3.31Å; K118-E122 VanDerWaalsContact O-CB 3.32Å; K118-E122 WeakPolarHBondContact O-CB 3.43Å; K118-E122 PolarHBondContact O-N 2.94Å |
| 119 | K | 74.8 | Confident | 70 | Confident | 120 Ų | 120 | 131.2 Ų | 131.2 | 52% | 0.522 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -55.7 | -42.6 | -179.5 | -75.8 | 175.7 | 167.6 | 171.2 | 0 | 112.3 | E115 E116 K121 E122 S123 | E115-K119 HydrophobicContact CG-CD 4.42Å; E115-K119 PolarHBondContact O-N 2.96Å; E115-K119 VanDerWaalsContact OE1-CE 3.26Å; E115-K119 WeakPolarHBondContact OE1-CE 3.48Å; E115-K119 IonicContact OE1-NZ 3.01Å; E115-K119 PolarHBondContact OE1-NZ 3.4Å; E116-K119 PolarHBondContact O-N 3.07Å; K119-K121 VanDerWaalsContact C-N 3.29Å; K119-K121 PolarHBondContact O-N 3.28Å; K119-E122 PolarHBondContact O-N 3.03Å; K119-S123 WeakPolarHBondContact O-CB 3.4Å; K119-S123 PolarHBondContact O-N 2.94Å; K119-S123 PolarHBondContact O-OG 3.26Å |
| 120 | L | 66.6 | Low | 68.1 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 58% | 0.581 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.2 | -24.5 | 176.1 | -171.6 | 64.3 | 0 | 0 | 0 | 114.2 | E116 K118 | E116-L120 WeakPolarHBondContact O-CB 3.49Å; E116-L120 PolarHBondContact O-N 3.04Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.19Å |
| 121 | K | 68.1 | Low | 66.5 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 67% | 0.665 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.2 | -33.3 | 171.8 | -78.3 | 178.9 | 157.3 | -123 | 0 | 112.4 | K117 K118 K119 | K117-K121 WeakPolarHBondContact O-CG 3.37Å; K118-K121 WeakPolarHBondContact O-CA 3.44Å; K118-K121 WeakPolarHBondContact O-CB 3.47Å; K118-K121 PolarHBondContact O-N 2.69Å; K119-K121 VanDerWaalsContact C-N 3.29Å; K119-K121 PolarHBondContact O-N 3.28Å |
| 122 | E | 66.8 | Low | 65.3 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 58% | 0.584 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78 | -31.4 | -177.7 | -165.9 | 158.1 | -135.1 | 0 | 0 | 111.3 | K118 K119 G124 | K118-E122 IonicContact NZ-OE1 2.65Å; K118-E122 PolarHBondContact NZ-OE1 3.49Å; K118-E122 IonicContact NZ-OE2 3.93Å; K118-E122 PolarHBondContact NZ-OE2 3.31Å; K118-E122 VanDerWaalsContact O-CB 3.32Å; K118-E122 WeakPolarHBondContact O-CB 3.43Å; K118-E122 PolarHBondContact O-N 2.94Å; K119-E122 PolarHBondContact O-N 3.03Å; E122-G124 PolarHBondContact O-N 3.28Å; E122-G124 VanDerWaalsContact O-N 3.1Å |
| 123 | S | 61.7 | Low | 63.8 | Low | 81 Ų | 81 | 125.5 Ų | 125.5 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 23.9 | 174 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | K119 R125 | K119-S123 WeakPolarHBondContact O-CB 3.4Å; K119-S123 PolarHBondContact O-N 2.94Å; K119-S123 PolarHBondContact O-OG 3.26Å; S123-R125 PolarHBondContact O-N 3.13Å |
| 124 | G | 58.3 | Low | 62.7 | Low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 65.4 | -20.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | E122 A126 | E122-G124 PolarHBondContact O-N 3.28Å; E122-G124 VanDerWaalsContact O-N 3.1Å; G124-A126 PolarHBondContact O-N 2.73Å |
| 125 | R | 54.4 | Low | 62.2 | Low | 199 Ų | 199 | 118.1 Ų | 118.1 | 75% | 0.751 | 64% | 0.638 | S | S | * | * | trans | -87.1 | 49.9 | -170.1 | -155.7 | 173.5 | -177.8 | 178.2 | 1.3 | 113.8 | S123 | S123-R125 PolarHBondContact O-N 3.13Š| ||
| 126 | A | 54.1 | Low | 62.6 | Low | 67 Ų | 67 | 116.9 Ų | 116.9 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | trans | -93.5 | 93.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G124 | G124-A126 PolarHBondContact O-N 2.73Š| ||
| 127 | D | 52.8 | Low | 63.3 | Low | 131 Ų | 131 | 113.5 Ų | 113.5 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | trans | -49.3 | 123.7 | 176.3 | -104.3 | -72.3 | 0 | 0 | 0 | 110.3 | K129 | D127-K129 PolarHBondContact O-N 2.91Š| ||
| 128 | P | 51.6 | Low | 64 | Low | 116 Ų | 116 | 107.8 Ų | 107.8 | 75% | 0.753 | 61% | 0.612 | S | S | * | * | trans | -73.9 | 78.9 | 176.1 | 31.4 | -33.7 | 0 | 0 | 0 | 108.5 | P130 | P128-P130 VanDerWaalsContact O-N 3.15Š| ||
| 129 | K | 54 | Low | 64.9 | Low | 185 Ų | 185 | 107.2 Ų | 107.2 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | trans | -46.9 | 124.6 | 170.5 | -178.5 | -179.5 | -179.1 | 178.9 | 0 | 107.4 | D127 A131 | D127-K129 PolarHBondContact O-N 2.91Å; K129-A131 PolarHBondContact O-N 2.92Å | ||
| 130 | P | 42.7 | Very low | 65.9 | Low | 112 Ų | 112 | 103.7 Ų | 103.7 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | trans | -54.7 | 114.7 | -167.3 | 18.2 | -32.1 | 0 | 0 | 0 | 110.2 | P128 E132 | P128-P130 VanDerWaalsContact O-N 3.15Å; P130-E132 PolarHBondContact O-N 3.48Å; P130-E132 VanDerWaalsContact O-N 3.17Å | ||
| 131 | A | 50.4 | Low | 67.3 | Low | 87 Ų | 87 | 98.4 Ų | 98.4 | 72% | 0.719 | 57% | 0.568 | S | S | * | * | trans | -80.9 | 93.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | K129 | K129-A131 PolarHBondContact O-N 2.92Š| ||
| 132 | E | 54.7 | Low | 68.6 | Low | 162 Ų | 162 | 92.8 Ų | 92.8 | 76% | 0.757 | 55% | 0.545 | S | S | * | . | trans | -33 | 124 | 147.1 | -67.1 | -61.9 | 156.2 | 0 | 0 | 108.1 | P130 G134 | P130-E132 PolarHBondContact O-N 3.48Å; P130-E132 VanDerWaalsContact O-N 3.17Å; E132-G134 WeakPolarHBondContact O-CA 3.48Å; E132-G134 PolarHBondContact O-N 3.47Å | ||
| 133 | P | 51.2 | Low | 69.9 | Low | 124 Ų | 124 | 90 Ų | 90 | 81% | 0.805 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -48.3 | 101.5 | -157.5 | 13.1 | -29.1 | 0 | 0 | 0 | 111.6 | Q135 | P133-Q135 PolarHBondContact O-N 2.98Å; P133-Q135 VanDerWaalsContact O-N 3.12Å |
| 134 | G | 59.8 | Low | 71.6 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 116.1 | -150.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E132 S136 | E132-G134 WeakPolarHBondContact O-CA 3.48Å; E132-G134 PolarHBondContact O-N 3.47Å; G134-S136 PolarHBondContact O-N 3.44Å; G134-S136 VanDerWaalsContact O-N 3.13Å |
| 135 | Q | 73.3 | Confident | 73.4 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 125.1 | 168.5 | -69.2 | -178.5 | -28 | 0 | 0 | 108.3 | P133 L140 | P133-Q135 PolarHBondContact O-N 2.98Å; P133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-L140 HydrophobicContact CB-CD1 4.04Å; Q135-L140 HydrophobicContact CB-CD2 3.97Å; Q135-L140 HydrophobicContact CB-CG 3.7Å; Q135-L140 WeakPolarHBondContact O-CD1 3.49Å |
| 136 | S | 89.6 | Confident | 75.4 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 155.4 | -167.8 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | G134 S138 K139 L140 | G134-S136 PolarHBondContact O-N 3.44Å; G134-S136 VanDerWaalsContact O-N 3.13Å; S136-S138 PolarHBondContact O-N 3.24Å; S136-S138 VanDerWaalsContact O-N 3.15Å; S136-K139 PolarHBondContact O-N 2.97Å; S136-K139 VanDerWaalsContact O-N 3.07Å; S136-K139 WeakPolarHBondContact OG-CB 3.49Å; S136-K139 PolarHBondContact OG-N 2.96Å; S136-L140 PolarHBondContact O-N 3.06Å |
| 137 | A | 90.9 | Very high | 77.4 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A141 | A137-A141 WeakPolarHBondContact O-CB 3.44Å; A137-A141 PolarHBondContact O-N 3.08Å |
| 138 | S | 92.4 | Very high | 79.5 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -60.2 | 168.7 | 166.5 | 0 | 0 | 0 | 0 | 111.7 | S136 L140 A141 L142 W164 K174 | S136-S138 PolarHBondContact O-N 3.24Å; S136-S138 VanDerWaalsContact O-N 3.15Å; S138-L140 VanDerWaalsContact C-N 3.32Å; S138-L140 PolarHBondContact O-N 3.07Å; S138-A141 CarbonylContact O-C 3.57Å; S138-A141 WeakPolarHBondContact O-CA 3.49Å; S138-A141 WeakPolarHBondContact O-CB 3.23Å; S138-A141 PolarHBondContact O-N 3.41Å; S138-L142 WeakPolarHBondContact O-CG 3.33Å; S138-L142 PolarHBondContact O-N 3.05Å; S138-W164 VanDerWaalsContact CA-CZ2 3.45Å; S138-W164 VanDerWaalsContact CB-CZ2 3.5Å; S138-K174 PolarHBondContact OG-O 3.33Å |
| 139 | K | 94.1 | Very high | 81.5 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -52.1 | -50.4 | -178.3 | 173.5 | 158 | -176.8 | 159.2 | 0 | 111.9 | S136 A141 L142 D143 | S136-K139 PolarHBondContact O-N 2.97Å; S136-K139 VanDerWaalsContact O-N 3.07Å; S136-K139 WeakPolarHBondContact OG-CB 3.49Å; S136-K139 PolarHBondContact OG-N 2.96Å; K139-A141 PolarHBondContact O-N 2.9Å; K139-A141 VanDerWaalsContact O-N 3.08Å; K139-L142 PolarHBondContact O-N 3.35Å; K139-L142 VanDerWaalsContact O-N 3.12Å; K139-D143 WeakPolarHBondContact CE-OD2 3.23Å; K139-D143 VanDerWaalsContact CG-OD2 3.31Å; K139-D143 WeakPolarHBondContact CG-OD2 3.26Å; K139-D143 WeakPolarHBondContact O-CB 3.4Å; K139-D143 PolarHBondContact O-N 3.49Å |
| 140 | L | 95.8 | Very high | 83.5 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.2 | -16 | 178.3 | -72.4 | 166.1 | 0 | 0 | 0 | 114.7 | Q135 S136 S138 Y144 R161 | Q135-L140 HydrophobicContact CB-CD1 4.04Å; Q135-L140 HydrophobicContact CB-CD2 3.97Å; Q135-L140 HydrophobicContact CB-CG 3.7Å; Q135-L140 WeakPolarHBondContact O-CD1 3.49Å; S136-L140 PolarHBondContact O-N 3.06Å; S138-L140 VanDerWaalsContact C-N 3.32Å; S138-L140 PolarHBondContact O-N 3.07Å; L140-Y144 WeakPolarHBondContact O-CB 3.41Å; L140-R161 VanDerWaalsContact CB-CZ 3.42Å; L140-R161 VanDerWaalsContact O-CD 3.27Å; L140-R161 WeakPolarHBondContact O-CD 3.38Å |
| 141 | A | 95.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -95.8 | -31.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A137 S138 K139 L145 R161 W164 L165 | A137-A141 WeakPolarHBondContact O-CB 3.44Å; A137-A141 PolarHBondContact O-N 3.08Å; S138-A141 CarbonylContact O-C 3.57Å; S138-A141 WeakPolarHBondContact O-CA 3.49Å; S138-A141 WeakPolarHBondContact O-CB 3.23Å; S138-A141 PolarHBondContact O-N 3.41Å; K139-A141 PolarHBondContact O-N 2.9Å; K139-A141 VanDerWaalsContact O-N 3.08Å; A141-L145 PolarHBondContact O-N 2.91Å; A141-R161 HydrophobicContact CB-CB 4.29Å; A141-W164 HydrophobicContact CB-CD2 4.02Å; A141-W164 HydrophobicContact CB-CE3 3.34Å; A141-W164 HydrophobicContact CB-CZ3 3.92Å; A141-L165 HydrophobicContact CB-CD2 4.04Å; A141-L165 HydrophobicContact CB-CG 4.07Å |
| 142 | L | 95.6 | Very high | 87.9 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.5 | -51.3 | 168.1 | -57.9 | 174.1 | 0 | 0 | 0 | 109.8 | S138 K139 Y144 L145 T146 V175 T179 | S138-L142 WeakPolarHBondContact O-CG 3.33Å; S138-L142 PolarHBondContact O-N 3.05Å; K139-L142 PolarHBondContact O-N 3.35Å; K139-L142 VanDerWaalsContact O-N 3.12Å; L142-Y144 PolarHBondContact O-N 3.28Å; L142-L145 WeakPolarHBondContact O-CA 3.33Å; L142-L145 WeakPolarHBondContact O-CB 3.39Å; L142-L145 PolarHBondContact O-N 3.22Å; L142-T146 PolarHBondContact O-N 3.2Å; L142-T146 PolarHBondContact O-OG1 3.05Å; L142-V175 HydrophobicContact CD2-CG1 4.42Å; L142-T179 HydrophobicContact CD2-CG2 3.54Å |
| 143 | D | 95.7 | Very high | 89.7 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 35% | 0.353 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -53 | -31.5 | 174.2 | -62.1 | -18.9 | 0 | 0 | 0 | 112 | K139 C147 | K139-D143 WeakPolarHBondContact CE-OD2 3.23Å; K139-D143 VanDerWaalsContact CG-OD2 3.31Å; K139-D143 WeakPolarHBondContact CG-OD2 3.26Å; K139-D143 WeakPolarHBondContact O-CB 3.4Å; K139-D143 PolarHBondContact O-N 3.49Å; D143-C147 VanDerWaalsContact O-CB 3.23Å; D143-C147 WeakPolarHBondContact O-CB 3.42Å; D143-C147 PolarHBondContact O-N 2.82Å |
| 144 | Y | 96.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -74.2 | -32.8 | 176.8 | 166.4 | -97.5 | 0 | 0 | 0 | 113.7 | L140 L142 W148 W155 Q158 R161 L165 Y186 | L140-Y144 WeakPolarHBondContact O-CB 3.41Å; L142-Y144 PolarHBondContact O-N 3.28Å; Y144-W148 PolarHBondContact O-N 3.04Å; Y144-W148 VanDerWaalsContact O-N 3.12Å; Y144-W155 AromaticContact CD2-NE1 3.8Å; Y144-W155 AromaticContact CE2-CE2 3.94Å; Y144-W155 HydrophobicContact CE2-CZ2 4.27Å; Y144-W155 AromaticContact CE2-NE1 3.22Å; Y144-W155 AromaticContact CZ-CZ2 3.98Å; Y144-W155 AromaticContact CZ-NE1 3.52Å; Y144-W155 WeakPolarHBondContact OH-CZ2 3.14Å; Y144-Q158 HydrophobicContact CD2-CB 3.88Å; Y144-Q158 HydrophobicContact CD2-CG 4Å; Y144-Q158 HydrophobicContact CE2-CB 3.61Å; Y144-Q158 HydrophobicContact CE2-CG 3.96Å; Y144-Q158 VanDerWaalsContact CE2-N 3.33Å; Y144-Q158 PolarHBondContact OH-N 2.96Å; Y144-R161 HydrophobicContact CD1-CB 3.5Å; Y144-R161 HydrophobicContact CD1-CG 4.3Å; Y144-R161 HydrophobicContact CD2-CB 4.12Å; Y144-R161 HydrophobicContact CD2-CG 4.13Å; Y144-R161 HydrophobicContact CE1-CB 3.9Å; Y144-R161 HydrophobicContact CE2-CB 4.48Å; Y144-R161 HydrophobicContact CG-CB 3.6Å; Y144-R161 HydrophobicContact CG-CG 3.86Å; Y144-L165 HydrophobicContact CD1-CD1 3.95Å; Y144-L165 HydrophobicContact CE1-CD1 4.21Å; Y144-Y186 PolarHBondContact OH-OH 3.5Å |
| 145 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.7 | -42.5 | 171.7 | -75.9 | 170.5 | 0 | 0 | 0 | 111.3 | A141 L142 C147 W148 A149 L165 T179 V182 L183 Y186 | A141-L145 PolarHBondContact O-N 2.91Å; L142-L145 WeakPolarHBondContact O-CA 3.33Å; L142-L145 WeakPolarHBondContact O-CB 3.39Å; L142-L145 PolarHBondContact O-N 3.22Å; L145-C147 VanDerWaalsContact C-N 3.34Å; L145-C147 PolarHBondContact O-N 3.45Å; L145-W148 WeakPolarHBondContact O-CB 3.27Å; L145-W148 PolarHBondContact O-N 2.93Å; L145-A149 PolarHBondContact O-N 3.48Å; L145-L165 HydrophobicContact CD1-CD1 3.84Å; L145-L165 HydrophobicContact CD1-CD2 3.69Å; L145-L165 HydrophobicContact CD1-CG 4.41Å; L145-L165 HydrophobicContact CD2-CD1 4.08Å; L145-L165 HydrophobicContact CG-CD1 3.75Å; L145-L165 HydrophobicContact CG-CD2 4.45Å; L145-T179 HydrophobicContact CB-CG2 4.29Å; L145-T179 HydrophobicContact CD1-CG2 3.64Å; L145-V182 HydrophobicContact CB-CG1 4.28Å; L145-L183 HydrophobicContact CD1-CB 3.89Å; L145-L183 HydrophobicContact CD1-CD1 4.17Å; L145-L183 HydrophobicContact CD1-CG 4.45Å; L145-L183 HydrophobicContact CD2-CB 4.45Å; L145-L183 HydrophobicContact CD2-CD1 4Å; L145-Y186 HydrophobicContact CD2-CD1 4.14Å; L145-Y186 HydrophobicContact CD2-CG 3.9Å |
| 146 | T | 95.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 37% | 0.368 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.6 | -49.5 | 172.7 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | L142 W148 A149 E150 | L142-T146 PolarHBondContact O-N 3.2Å; L142-T146 PolarHBondContact O-OG1 3.05Å; T146-W148 VanDerWaalsContact C-N 3.3Å; T146-W148 PolarHBondContact O-N 2.9Å; T146-A149 PolarHBondContact O-N 3.31Å; T146-E150 VanDerWaalsContact CG2-CD 3.45Å; T146-E150 HydrophobicContact CG2-CG 4.28Å; T146-E150 VanDerWaalsContact CG2-OE1 3.26Å; T146-E150 WeakPolarHBondContact CG2-OE1 3.36Å; T146-E150 WeakPolarHBondContact O-CB 3.44Å; T146-E150 WeakPolarHBondContact O-CG 3.43Å; T146-E150 PolarHBondContact O-N 3.26Å |
| 147 | C | 96.3 | Very high | 94.7 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 30% | 0.297 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -31.8 | 175 | 176.1 | 0 | 0 | 0 | 0 | 113.7 | D143 L145 S151 | D143-C147 VanDerWaalsContact O-CB 3.23Å; D143-C147 WeakPolarHBondContact O-CB 3.42Å; D143-C147 PolarHBondContact O-N 2.82Å; L145-C147 VanDerWaalsContact C-N 3.34Å; L145-C147 PolarHBondContact O-N 3.45Å; C147-S151 CarbonylContact O-C 3.17Å; C147-S151 WeakPolarHBondContact O-CA 3.29Å; C147-S151 WeakPolarHBondContact O-CB 3.09Å; C147-S151 PolarHBondContact O-N 3.12Å; C147-S151 VanDerWaalsContact O-N 3.11Å |
| 148 | W | 96.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 67.8 Ų | 67.8 | 15% | 0.148 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 174 | 175.5 | 79.9 | 0 | 0 | 0 | 112.2 | Y144 L145 T146 R152 W155 V182 Q185 Y186 | Y144-W148 PolarHBondContact O-N 3.04Å; Y144-W148 VanDerWaalsContact O-N 3.12Å; L145-W148 WeakPolarHBondContact O-CB 3.27Å; L145-W148 PolarHBondContact O-N 2.93Å; T146-W148 VanDerWaalsContact C-N 3.3Å; T146-W148 PolarHBondContact O-N 2.9Å; W148-R152 WeakPolarHBondContact O-CD 3.31Å; W148-W155 VanDerWaalsContact CA-CD1 3.47Å; W148-W155 HydrophobicContact CB-CG 4.15Å; W148-W155 AromaticContact CD1-CD2 3.82Å; W148-W155 AromaticContact CD1-CE2 3.61Å; W148-W155 AromaticContact CD1-CZ2 3.96Å; W148-W155 AromaticContact CD1-NE1 3.8Å; W148-V182 HydrophobicContact CE3-CG1 4.17Å; W148-V182 HydrophobicContact CZ3-CG1 4.25Å; W148-Q185 VanDerWaalsContact CH2-C 3.49Å; W148-Q185 HydrophobicContact CH2-CB 3.86Å; W148-Q185 HydrophobicContact CZ3-CB 4.04Å; W148-Y186 AromaticContact CD1-CD2 3.76Å; W148-Y186 AromaticContact CD2-CD2 3.77Å; W148-Y186 HydrophobicContact CD2-CD2 3.77Å; W148-Y186 HydrophobicContact CD2-CG 4.48Å; W148-Y186 AromaticContact CE2-CD2 3.67Å; W148-Y186 HydrophobicContact CE3-CD2 4.42Å; W148-Y186 AromaticContact CG-CD2 3.85Å; W148-Y186 HydrophobicContact CG-CD2 3.85Å; W148-Y186 HydrophobicContact CG-CE2 4.4Å; W148-Y186 HydrophobicContact CZ2-CD2 4.26Å; W148-Y186 AromaticContact NE1-CD2 3.61Å |
| 149 | A | 95 | Very high | 95 | Very high | 56 Ų | 56 | 73.3 Ų | 73.3 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.9 | -52 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L145 T146 V182 | L145-A149 PolarHBondContact O-N 3.48Å; T146-A149 PolarHBondContact O-N 3.31Å; A149-V182 HydrophobicContact CB-CG1 3.95Å |
| 150 | E | 95.3 | Very high | 95.1 | Very high | 153 Ų | 153 | 74.6 Ų | 74.6 | 72% | 0.715 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -79.8 | -36.9 | -174.4 | -62.5 | 174.9 | 177.4 | 0 | 0 | 113.2 | T146 | T146-E150 VanDerWaalsContact CG2-CD 3.45Å; T146-E150 HydrophobicContact CG2-CG 4.28Å; T146-E150 VanDerWaalsContact CG2-OE1 3.26Å; T146-E150 WeakPolarHBondContact CG2-OE1 3.36Å; T146-E150 WeakPolarHBondContact O-CB 3.44Å; T146-E150 WeakPolarHBondContact O-CG 3.43Å; T146-E150 PolarHBondContact O-N 3.26Å |
| 151 | S | 93.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 74.7 Ų | 74.7 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | trans | -128.3 | 49.1 | -163.3 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | C147 S153 A154 W155 | C147-S151 CarbonylContact O-C 3.17Å; C147-S151 WeakPolarHBondContact O-CA 3.29Å; C147-S151 WeakPolarHBondContact O-CB 3.09Å; C147-S151 PolarHBondContact O-N 3.12Å; C147-S151 VanDerWaalsContact O-N 3.11Å; S151-S153 PolarHBondContact O-N 2.84Å; S151-A154 PolarHBondContact O-N 2.91Å; S151-W155 PolarHBondContact O-N 3.08Å | ||
| 152 | R | 92.2 | Very high | 95.1 | Very high | 141 Ų | 141 | 76 Ų | 76 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -22.5 | -171.2 | -165.3 | 63.9 | -176.9 | 75.9 | -1.5 | 115.5 | W148 | W148-R152 WeakPolarHBondContact O-CD 3.31Š|
| 153 | S | 92.9 | Very high | 95.1 | Very high | 122 Ų | 122 | 77 Ų | 77 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -30.9 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | S151 | S151-S153 PolarHBondContact O-N 2.84Š|
| 154 | A | 91.9 | Very high | 95.1 | Very high | 62 Ų | 62 | 75.6 Ų | 75.6 | 51% | 0.512 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -23.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S151 K156 | S151-A154 PolarHBondContact O-N 2.91Å; A154-K156 PolarHBondContact O-N 3.39Å |
| 155 | W | 95.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 75.2 Ų | 75.2 | 17% | 0.174 | 39% | 0.387 | C | S | . | . | trans | -55 | 130.1 | 177.8 | 178.1 | 83.8 | 0 | 0 | 0 | 112.4 | Y144 W148 S151 F157 Y186 | Y144-W155 AromaticContact CD2-NE1 3.8Å; Y144-W155 AromaticContact CE2-CE2 3.94Å; Y144-W155 HydrophobicContact CE2-CZ2 4.27Å; Y144-W155 AromaticContact CE2-NE1 3.22Å; Y144-W155 AromaticContact CZ-CZ2 3.98Å; Y144-W155 AromaticContact CZ-NE1 3.52Å; Y144-W155 WeakPolarHBondContact OH-CZ2 3.14Å; W148-W155 VanDerWaalsContact CA-CD1 3.47Å; W148-W155 HydrophobicContact CB-CG 4.15Å; W148-W155 AromaticContact CD1-CD2 3.82Å; W148-W155 AromaticContact CD1-CE2 3.61Å; W148-W155 AromaticContact CD1-CZ2 3.96Å; W148-W155 AromaticContact CD1-NE1 3.8Å; S151-W155 PolarHBondContact O-N 3.08Å; W155-F157 HydrophobicContact CH2-CB 3.9Å; W155-F157 HydrophobicContact CH2-CD2 4.14Å; W155-F157 HydrophobicContact CZ2-CB 4.24Å; W155-F157 HydrophobicContact CZ2-CD2 4.19Å; W155-F157 HydrophobicContact CZ3-CB 4.39Å; W155-Y186 HydrophobicContact CH2-CE2 4.4Å; W155-Y186 AromaticContact CZ2-CE2 3.74Å; W155-Y186 HydrophobicContact CZ2-CE2 3.74Å | ||
| 156 | K | 95.3 | Very high | 95.1 | Very high | 167 Ų | 167 | 76.4 Ų | 76.4 | 73% | 0.726 | 39% | 0.392 | S | S | * | . | trans | -125 | 129.5 | 175.8 | -69.9 | 170 | -174.4 | 172.1 | 0 | 108.5 | A154 Q158 | A154-K156 PolarHBondContact O-N 3.39Å; K156-Q158 WeakPolarHBondContact O-CG 3.36Å; K156-Q158 PolarHBondContact O-N 3.25Å | ||
| 157 | F | 94.9 | Very high | 95.1 | Very high | 112 Ų | 112 | 78.9 Ų | 78.9 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | trans | -56.2 | 112.3 | -178.9 | 175.8 | -111.9 | 0 | 0 | 0 | 112.1 | W155 K159 Q162 | W155-F157 HydrophobicContact CH2-CB 3.9Å; W155-F157 HydrophobicContact CH2-CD2 4.14Å; W155-F157 HydrophobicContact CZ2-CB 4.24Å; W155-F157 HydrophobicContact CZ2-CD2 4.19Å; W155-F157 HydrophobicContact CZ3-CB 4.39Å; F157-K159 HydrophobicContact CE1-CB 3.78Å; F157-K159 HydrophobicContact CZ-CB 3.94Å; F157-K159 HydrophobicContact CZ-CG 4.39Å; F157-Q162 HydrophobicContact CE2-CB 4.31Å; F157-Q162 VanDerWaalsContact CE2-OE1 3.28Å; F157-Q162 VanDerWaalsContact CZ-OE1 3.26Å | ||
| 158 | Q | 95.5 | Very high | 95 | Very high | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 40% | 0.4 | S | S | . | . | trans | -107.9 | 91.6 | 176.9 | -62.9 | -169 | 26.2 | 0 | 0 | 109.2 | Y144 K156 I160 R161 Q162 | Y144-Q158 HydrophobicContact CD2-CB 3.88Å; Y144-Q158 HydrophobicContact CD2-CG 4Å; Y144-Q158 HydrophobicContact CE2-CB 3.61Å; Y144-Q158 HydrophobicContact CE2-CG 3.96Å; Y144-Q158 VanDerWaalsContact CE2-N 3.33Å; Y144-Q158 PolarHBondContact OH-N 2.96Å; K156-Q158 WeakPolarHBondContact O-CG 3.36Å; K156-Q158 PolarHBondContact O-N 3.25Å; Q158-I160 PolarHBondContact O-N 2.83Å; Q158-R161 HydrophobicContact CB-CB 4.16Å; Q158-R161 HydrophobicContact CB-CG 3.63Å; Q158-R161 HydrophobicContact CG-CG 4.4Å; Q158-R161 PolarHBondContact O-N 3.05Å; Q158-R161 VanDerWaalsContact OE1-CG 3.28Å; Q158-Q162 PolarHBondContact O-N 3.06Å; Q158-Q162 VanDerWaalsContact O-N 3.13Å | ||
| 159 | K | 94.3 | Very high | 95 | Very high | 142 Ų | 142 | 78 Ų | 78 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -49.8 | -34.2 | 179.5 | -177.6 | 164.8 | -177.8 | 163.8 | 0 | 113.7 | F157 T163 | F157-K159 HydrophobicContact CE1-CB 3.78Å; F157-K159 HydrophobicContact CZ-CB 3.94Å; F157-K159 HydrophobicContact CZ-CG 4.39Å; K159-T163 VanDerWaalsContact O-CB 3.29Å; K159-T163 WeakPolarHBondContact O-CB 3.18Å; K159-T163 PolarHBondContact O-N 3.04Å; K159-T163 PolarHBondContact O-OG1 3.32Å |
| 160 | I | 96 | Very high | 95.1 | Very high | 130 Ų | 130 | 76 Ų | 76 | 67% | 0.667 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.6 | -41.7 | 177.7 | -61 | 177.3 | 0 | 0 | 0 | 111.2 | Q158 T163 W164 | Q158-I160 PolarHBondContact O-N 2.83Å; I160-T163 PolarHBondContact O-N 3.49Å; I160-W164 WeakPolarHBondContact O-CB 3.46Å; I160-W164 PolarHBondContact O-N 3.03Å |
| 161 | R | 96.4 | Very high | 95 | Very high | 49 Ų | 49 | 69.7 Ų | 69.7 | 19% | 0.185 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.1 | -47.5 | 177.7 | -50.1 | -52.5 | 170.9 | -170.3 | -1.4 | 111.4 | L140 A141 Y144 Q158 T163 W164 L165 | L140-R161 VanDerWaalsContact CB-CZ 3.42Å; L140-R161 VanDerWaalsContact O-CD 3.27Å; L140-R161 WeakPolarHBondContact O-CD 3.38Å; A141-R161 HydrophobicContact CB-CB 4.29Å; Y144-R161 HydrophobicContact CD1-CB 3.5Å; Y144-R161 HydrophobicContact CD1-CG 4.3Å; Y144-R161 HydrophobicContact CD2-CB 4.12Å; Y144-R161 HydrophobicContact CD2-CG 4.13Å; Y144-R161 HydrophobicContact CE1-CB 3.9Å; Y144-R161 HydrophobicContact CE2-CB 4.48Å; Y144-R161 HydrophobicContact CG-CB 3.6Å; Y144-R161 HydrophobicContact CG-CG 3.86Å; Q158-R161 HydrophobicContact CB-CB 4.16Å; Q158-R161 HydrophobicContact CB-CG 3.63Å; Q158-R161 HydrophobicContact CG-CG 4.4Å; Q158-R161 PolarHBondContact O-N 3.05Å; Q158-R161 VanDerWaalsContact OE1-CG 3.28Å; R161-T163 VanDerWaalsContact C-N 3.28Å; R161-T163 PolarHBondContact O-N 3.23Å; R161-W164 WeakPolarHBondContact O-CB 3.41Å; R161-W164 PolarHBondContact O-N 2.88Å; R161-W164 VanDerWaalsContact O-N 3.12Å; R161-L165 VanDerWaalsContact O-CG 3.31Å; R161-L165 WeakPolarHBondContact O-CG 3.12Å; R161-L165 PolarHBondContact O-N 3.12Å |
| 162 | Q | 95.5 | Very high | 95 | Very high | 26 Ų | 26 | 68.7 Ų | 68.7 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.2 | -44.1 | 172.9 | -179.3 | -175.3 | 54.7 | 0 | 0 | 111.7 | F157 Q158 W164 L165 L166 Y186 | F157-Q162 HydrophobicContact CE2-CB 4.31Å; F157-Q162 VanDerWaalsContact CE2-OE1 3.28Å; F157-Q162 VanDerWaalsContact CZ-OE1 3.26Å; Q158-Q162 PolarHBondContact O-N 3.06Å; Q158-Q162 VanDerWaalsContact O-N 3.13Å; Q162-W164 VanDerWaalsContact C-N 3.33Å; Q162-W164 PolarHBondContact O-N 3.34Å; Q162-L165 PolarHBondContact O-N 3.15Å; Q162-L166 HydrophobicContact CG-CD1 3.92Å; Q162-L166 HydrophobicContact CG-CG 4.35Å; Q162-L166 WeakPolarHBondContact O-CB 3.24Å; Q162-L166 VanDerWaalsContact O-CG 3.32Å; Q162-L166 WeakPolarHBondContact O-CG 3.49Å; Q162-L166 PolarHBondContact O-N 3.01Å; Q162-Y186 HydrophobicContact CG-CE1 4.11Å; Q162-Y186 PolarHBondContact NE2-OH 3.47Å |
| 163 | T | 95.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 69.4 Ų | 69.4 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 178.9 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | K159 I160 R161 Q167 | K159-T163 VanDerWaalsContact O-CB 3.29Å; K159-T163 WeakPolarHBondContact O-CB 3.18Å; K159-T163 PolarHBondContact O-N 3.04Å; K159-T163 PolarHBondContact O-OG1 3.32Å; I160-T163 PolarHBondContact O-N 3.49Å; R161-T163 VanDerWaalsContact C-N 3.28Å; R161-T163 PolarHBondContact O-N 3.23Å; T163-Q167 VanDerWaalsContact O-CG 3.23Å; T163-Q167 WeakPolarHBondContact O-CG 3.49Å; T163-Q167 PolarHBondContact O-N 2.8Å |
| 164 | W | 96.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 175.4 | -171.6 | 88.7 | 0 | 0 | 0 | 111.6 | S138 A141 I160 R161 Q162 L166 Q167 H168 K174 V175 | S138-W164 VanDerWaalsContact CA-CZ2 3.45Å; S138-W164 VanDerWaalsContact CB-CZ2 3.5Å; A141-W164 HydrophobicContact CB-CD2 4.02Å; A141-W164 HydrophobicContact CB-CE3 3.34Å; A141-W164 HydrophobicContact CB-CZ3 3.92Å; I160-W164 WeakPolarHBondContact O-CB 3.46Å; I160-W164 PolarHBondContact O-N 3.03Å; R161-W164 WeakPolarHBondContact O-CB 3.41Å; R161-W164 PolarHBondContact O-N 2.88Å; R161-W164 VanDerWaalsContact O-N 3.12Å; Q162-W164 VanDerWaalsContact C-N 3.33Å; Q162-W164 PolarHBondContact O-N 3.34Å; W164-L166 PolarHBondContact O-N 2.93Å; W164-Q167 WeakPolarHBondContact O-CB 3.28Å; W164-Q167 PolarHBondContact O-N 3.22Å; W164-H168 AromaticContact CD1-CD2 3.6Å; W164-H168 AromaticContact CD1-NE2 3.87Å; W164-H168 AromaticContact CD2-CD2 3.65Å; W164-H168 AromaticContact CE2-CD2 3.25Å; W164-H168 AromaticContact CE2-CG 3.99Å; W164-H168 AromaticContact CE2-NE2 3.96Å; W164-H168 HydrophobicContact CE3-CB 4.48Å; W164-H168 AromaticContact CG-CD2 3.84Å; W164-H168 HydrophobicContact CH2-CB 3.93Å; W164-H168 HydrophobicContact CZ2-CB 4.04Å; W164-H168 AromaticContact CZ2-CD2 3.63Å; W164-H168 AromaticContact CZ2-CG 3.9Å; W164-H168 HydrophobicContact CZ3-CB 4.17Å; W164-H168 AromaticContact NE1-CD2 3.25Å; W164-H168 PolarHBondContact NE1-CD2 2.63Å; W164-H168 VanDerWaalsContact NE1-CD2 3.25Å; W164-H168 AromaticContact NE1-NE2 3.5Å; W164-H168 PolarHBondContact O-CD2 3.44Å; W164-H168 VanDerWaalsContact O-CD2 3.23Å; W164-H168 PolarHBondContact O-N 3.17Å; W164-K174 HydrophobicContact CH2-CB 3.87Å; W164-K174 WeakPolarHBondContact CH2-O 3.41Å; W164-K174 HydrophobicContact CZ2-CB 4.31Å; W164-V175 HydrophobicContact CZ3-CG2 4.08Å |
| 165 | L | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 176.3 | -67.7 | 164 | 0 | 0 | 0 | 111.1 | A141 Y144 L145 R161 Q162 Q167 H168 M169 V175 L183 | A141-L165 HydrophobicContact CB-CD2 4.04Å; A141-L165 HydrophobicContact CB-CG 4.07Å; Y144-L165 HydrophobicContact CD1-CD1 3.95Å; Y144-L165 HydrophobicContact CE1-CD1 4.21Å; L145-L165 HydrophobicContact CD1-CD1 3.84Å; L145-L165 HydrophobicContact CD1-CD2 3.69Å; L145-L165 HydrophobicContact CD1-CG 4.41Å; L145-L165 HydrophobicContact CD2-CD1 4.08Å; L145-L165 HydrophobicContact CG-CD1 3.75Å; L145-L165 HydrophobicContact CG-CD2 4.45Å; R161-L165 VanDerWaalsContact O-CG 3.31Å; R161-L165 WeakPolarHBondContact O-CG 3.12Å; R161-L165 PolarHBondContact O-N 3.12Å; Q162-L165 PolarHBondContact O-N 3.15Å; L165-Q167 PolarHBondContact O-N 3.25Å; L165-H168 PolarHBondContact O-N 2.97Å; L165-M169 VanDerWaalsContact O-CB 3.23Å; L165-M169 WeakPolarHBondContact O-CB 3.49Å; L165-M169 WeakPolarHBondContact O-CG 3.46Å; L165-M169 PolarHBondContact O-N 3.02Å; L165-V175 HydrophobicContact CD2-CG2 4.26Å; L165-L183 HydrophobicContact CB-CD1 4.2Å; L165-L183 HydrophobicContact CB-CD2 4.31Å; L165-L183 HydrophobicContact CD1-CD1 4.29Å; L165-L183 HydrophobicContact CD2-CD2 4.45Å |
| 166 | L | 95.2 | Very high | 95.3 | Very high | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -8.1 | 175.5 | -69.3 | 175.5 | 0 | 0 | 0 | 114.8 | Q162 W164 M169 L187 M190 T198 | Q162-L166 HydrophobicContact CG-CD1 3.92Å; Q162-L166 HydrophobicContact CG-CG 4.35Å; Q162-L166 WeakPolarHBondContact O-CB 3.24Å; Q162-L166 VanDerWaalsContact O-CG 3.32Å; Q162-L166 WeakPolarHBondContact O-CG 3.49Å; Q162-L166 PolarHBondContact O-N 3.01Å; W164-L166 PolarHBondContact O-N 2.93Å; L166-M169 HydrophobicContact CD2-CE 4.14Å; L166-M169 HydrophobicContact CD2-SD 4.01Å; L166-L187 HydrophobicContact CD2-CD2 3.57Å; L166-M190 HydrophobicContact CD1-SD 4.19Å; L166-M190 HydrophobicContact CD2-CE 4.11Å; L166-T198 HydrophobicContact CD2-CG2 3.99Å |
| 167 | Q | 94.8 | Very high | 95.3 | Very high | 112 Ų | 112 | 60.5 Ų | 60.5 | 52% | 0.523 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -99.5 | -27.4 | 173.1 | -75.4 | 169.8 | -8.4 | 0 | 0 | 112.9 | T163 W164 L165 | T163-Q167 VanDerWaalsContact O-CG 3.23Å; T163-Q167 WeakPolarHBondContact O-CG 3.49Å; T163-Q167 PolarHBondContact O-N 2.8Å; W164-Q167 WeakPolarHBondContact O-CB 3.28Å; W164-Q167 PolarHBondContact O-N 3.22Å; L165-Q167 PolarHBondContact O-N 3.25Å |
| 168 | H | 95.8 | Very high | 95.2 | Very high | 64 Ų | 64 | 61.7 Ų | 61.7 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -122.9 | -3.3 | -169.1 | -62.4 | -63.9 | 0 | 0 | 0 | 115 | W164 L165 Y170 D171 K174 | W164-H168 AromaticContact CD1-CD2 3.6Å; W164-H168 AromaticContact CD1-NE2 3.87Å; W164-H168 AromaticContact CD2-CD2 3.65Å; W164-H168 AromaticContact CE2-CD2 3.25Å; W164-H168 AromaticContact CE2-CG 3.99Å; W164-H168 AromaticContact CE2-NE2 3.96Å; W164-H168 HydrophobicContact CE3-CB 4.48Å; W164-H168 AromaticContact CG-CD2 3.84Å; W164-H168 HydrophobicContact CH2-CB 3.93Å; W164-H168 HydrophobicContact CZ2-CB 4.04Å; W164-H168 AromaticContact CZ2-CD2 3.63Å; W164-H168 AromaticContact CZ2-CG 3.9Å; W164-H168 HydrophobicContact CZ3-CB 4.17Å; W164-H168 AromaticContact NE1-CD2 3.25Å; W164-H168 PolarHBondContact NE1-CD2 2.63Å; W164-H168 VanDerWaalsContact NE1-CD2 3.25Å; W164-H168 AromaticContact NE1-NE2 3.5Å; W164-H168 PolarHBondContact O-CD2 3.44Å; W164-H168 VanDerWaalsContact O-CD2 3.23Å; W164-H168 PolarHBondContact O-N 3.17Å; L165-H168 PolarHBondContact O-N 2.97Å; H168-Y170 PolarHBondContact O-N 3.11Å; H168-D171 WeakPolarHBondContact O-CB 3.38Å; H168-D171 PolarHBondContact O-N 3.49Å; H168-K174 HydrophobicContact CB-CB 4.02Å |
| 169 | M | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.6 | -177.3 | 63.5 | -169.5 | -165.7 | 0 | 0 | 115.5 | L165 L166 D171 F180 L183 L187 T198 R224 V228 | L165-M169 VanDerWaalsContact O-CB 3.23Å; L165-M169 WeakPolarHBondContact O-CB 3.49Å; L165-M169 WeakPolarHBondContact O-CG 3.46Å; L165-M169 PolarHBondContact O-N 3.02Å; L166-M169 HydrophobicContact CD2-CE 4.14Å; L166-M169 HydrophobicContact CD2-SD 4.01Å; M169-D171 PolarHBondContact O-N 3.16Å; M169-F180 HydrophobicContact CB-CD2 4.33Å; M169-F180 HydrophobicContact CB-CE2 4.15Å; M169-F180 WeakPolarHBondContact O-CD2 3.32Å; M169-F180 WeakPolarHBondContact O-CE2 3.47Å; M169-L183 HydrophobicContact CB-CD2 3.34Å; M169-L183 HydrophobicContact CG-CD2 4.31Å; M169-L183 HydrophobicContact SD-CD2 4.05Å; M169-L187 HydrophobicContact CE-CD1 4.36Å; M169-L187 HydrophobicContact SD-CD1 3.87Å; M169-T198 HydrophobicContact CE-CG2 3.5Å; M169-T198 VanDerWaalsContact CE-CG2 3.5Å; M169-R224 VanDerWaalsContact O-CD 3.29Å; M169-R224 WeakPolarHBondContact O-CD 3.45Å; M169-R224 PolarHBondContact O-NH1 3.3Å; M169-V228 HydrophobicContact CE-CG1 3.92Å; M169-V228 HydrophobicContact CE-CG2 3.96Å |
| 170 | Y | 96.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14.3 | 174.7 | -48.7 | -68.5 | 0 | 0 | 0 | 112.6 | H168 A202 L205 R221 R224 A225 V228 | H168-Y170 PolarHBondContact O-N 3.11Å; Y170-A202 HydrophobicContact CE1-CB 4.31Å; Y170-L205 HydrophobicContact CD1-CD1 4Å; Y170-L205 HydrophobicContact CD2-CD1 3.36Å; Y170-L205 HydrophobicContact CE1-CD1 4.15Å; Y170-L205 HydrophobicContact CE2-CD1 3.52Å; Y170-L205 HydrophobicContact CG-CD1 3.61Å; Y170-R221 WeakPolarHBondContact O-CA 3.31Å; Y170-R221 WeakPolarHBondContact O-CG 3.47Å; Y170-R224 HydrophobicContact CD1-CB 4.36Å; Y170-A225 HydrophobicContact CD1-CB 4.02Å; Y170-A225 HydrophobicContact CE1-CB 3.92Å; Y170-V228 HydrophobicContact CE1-CB 4.47Å; Y170-V228 HydrophobicContact CE1-CG2 4.35Å |
| 171 | D | 94.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | trans | -99.9 | 115.9 | -175.2 | -165.9 | -66.6 | 0 | 0 | 0 | 110.8 | H168 M169 E173 K174 V175 R221 R224 | H168-D171 WeakPolarHBondContact O-CB 3.38Å; H168-D171 PolarHBondContact O-N 3.49Å; M169-D171 PolarHBondContact O-N 3.16Å; D171-E173 PolarHBondContact O-N 2.94Å; D171-E173 WeakPolarHBondContact OD1-CB 3.32Å; D171-E173 PolarHBondContact OD1-N 2.87Å; D171-K174 HydrophobicContact CB-CB 4.24Å; D171-K174 HydrophobicContact CB-CG 4.07Å; D171-K174 PolarHBondContact O-N 3.12Å; D171-K174 WeakPolarHBondContact OD1-CG 3.49Å; D171-K174 PolarHBondContact OD1-N 3.37Å; D171-K174 IonicContact OD1-NZ 3.41Å; D171-K174 PolarHBondContact OD1-NZ 3.13Å; D171-K174 IonicContact OD2-NZ 3.45Å; D171-V175 PolarHBondContact O-N 3.05Å; D171-R221 IonicContact OD2-CZ 2.63Å; D171-R221 IonicContact OD2-NE 2.69Å; D171-R221 IonicContact OD2-NH2 2.63Å; D171-R221 PolarHBondContact OD2-NH2 2.99Å; D171-R224 PolarHBondContact O-NH1 2.87Å | ||
| 172 | S | 93.6 | Very high | 95.4 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 21% | 0.21 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -33.2 | -175.2 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | K174 V175 Q220 | S172-K174 VanDerWaalsContact C-N 3.28Å; S172-K174 PolarHBondContact O-N 3.47Å; S172-V175 CarbonylContact O-C 3.34Å; S172-Q220 VanDerWaalsContact OG-CD 3.29Å; S172-Q220 PolarHBondContact OG-NE2 3.01Å; S172-Q220 PolarHBondContact OG-OE1 2.98Å |
| 173 | E | 92.6 | Very high | 95.4 | Very high | 156 Ų | 156 | 48.4 Ų | 48.4 | 73% | 0.729 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -27.5 | 175.8 | -55.5 | 176.8 | 177.5 | 0 | 0 | 112.3 | D171 | D171-E173 PolarHBondContact O-N 2.94Å; D171-E173 WeakPolarHBondContact OD1-CB 3.32Å; D171-E173 PolarHBondContact OD1-N 2.87Å |
| 174 | K | 93.5 | Very high | 95.5 | Very high | 65 Ų | 65 | 47.3 Ų | 47.3 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -29.1 | -176.6 | -53.1 | -39.9 | 167.8 | -67.9 | 0 | 112.7 | S138 W164 H168 D171 S172 | S138-K174 PolarHBondContact OG-O 3.33Å; W164-K174 HydrophobicContact CH2-CB 3.87Å; W164-K174 WeakPolarHBondContact CH2-O 3.41Å; W164-K174 HydrophobicContact CZ2-CB 4.31Å; H168-K174 HydrophobicContact CB-CB 4.02Å; D171-K174 HydrophobicContact CB-CB 4.24Å; D171-K174 HydrophobicContact CB-CG 4.07Å; D171-K174 PolarHBondContact O-N 3.12Å; D171-K174 WeakPolarHBondContact OD1-CG 3.49Å; D171-K174 PolarHBondContact OD1-N 3.37Å; D171-K174 IonicContact OD1-NZ 3.41Å; D171-K174 PolarHBondContact OD1-NZ 3.13Å; D171-K174 IonicContact OD2-NZ 3.45Å; S172-K174 VanDerWaalsContact C-N 3.28Å; S172-K174 PolarHBondContact O-N 3.47Å |
| 175 | V | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -133.8 | 103.5 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | L142 W164 L165 D171 S172 T179 F180 R224 | L142-V175 HydrophobicContact CD2-CG1 4.42Å; W164-V175 HydrophobicContact CZ3-CG2 4.08Å; L165-V175 HydrophobicContact CD2-CG2 4.26Å; D171-V175 PolarHBondContact O-N 3.05Å; S172-V175 CarbonylContact O-C 3.34Å; V175-T179 HydrophobicContact CG1-CG2 4.42Å; V175-F180 HydrophobicContact CG1-CB 4.21Å; V175-R224 VanDerWaalsContact O-CZ 3.26Å; V175-R224 PolarHBondContact O-NH1 3.06Å; V175-R224 PolarHBondContact O-NH2 2.9Å |
| 176 | P | 95.9 | Very high | 95.4 | Very high | 55 Ų | 55 | 51.2 Ų | 51.2 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | trans | -59.3 | 154.1 | 175.8 | -24.6 | 35.2 | 0 | 0 | 0 | 112.3 | D178 T179 F180 | P176-D178 VanDerWaalsContact C-N 3.32Å; P176-D178 PolarHBondContact O-N 2.9Å; P176-T179 CarbonylContact O-C 3.58Å; P176-T179 PolarHBondContact O-N 3.43Å; P176-F180 PolarHBondContact O-N 2.9Å | ||
| 177 | D | 94.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.7 | -40.7 | -174.9 | -63.2 | -62.9 | 0 | 0 | 0 | 113 | T179 F180 V181 R224 | D177-T179 PolarHBondContact O-N 3Å; D177-F180 WeakPolarHBondContact O-CA 3.23Å; D177-F180 WeakPolarHBondContact O-CB 3.43Å; D177-F180 PolarHBondContact O-N 3.37Å; D177-V181 PolarHBondContact O-N 2.93Å; D177-R224 IonicContact OD1-CZ 2.73Å; D177-R224 IonicContact OD1-NE 3.63Å; D177-R224 PolarHBondContact OD1-NE 3.05Å; D177-R224 IonicContact OD1-NH2 2.68Å; D177-R224 PolarHBondContact OD1-NH2 3.32Å; D177-R224 IonicContact OD2-NH2 3.84Å |
| 178 | D | 94.6 | Very high | 95.3 | Very high | 137 Ų | 137 | 50.9 Ų | 50.9 | 73% | 0.733 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -54.7 | -40.9 | 174.2 | -52.1 | -39.3 | 0 | 0 | 0 | 112.4 | P176 | P176-D178 VanDerWaalsContact C-N 3.32Å; P176-D178 PolarHBondContact O-N 2.9Å |
| 179 | T | 95.5 | Very high | 95 | Very high | 28 Ų | 28 | 50.5 Ų | 50.5 | 17% | 0.172 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -81.8 | -23.7 | 178.6 | -47.6 | 0 | 0 | 0 | 0 | 112.1 | L142 L145 V175 P176 D177 V182 L183 | L142-T179 HydrophobicContact CD2-CG2 3.54Å; L145-T179 HydrophobicContact CB-CG2 4.29Å; L145-T179 HydrophobicContact CD1-CG2 3.64Å; V175-T179 HydrophobicContact CG1-CG2 4.42Å; P176-T179 CarbonylContact O-C 3.58Å; P176-T179 PolarHBondContact O-N 3.43Å; D177-T179 PolarHBondContact O-N 3Å; T179-V182 PolarHBondContact O-N 3.18Å; T179-L183 WeakPolarHBondContact O-CB 3.46Å; T179-L183 PolarHBondContact O-N 3.29Å |
| 180 | F | 96.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 172.6 | -173.5 | -106.5 | 0 | 0 | 0 | 111.2 | M169 V175 P176 D177 V182 L183 L184 R224 E227 V228 | M169-F180 HydrophobicContact CB-CD2 4.33Å; M169-F180 HydrophobicContact CB-CE2 4.15Å; M169-F180 WeakPolarHBondContact O-CD2 3.32Å; M169-F180 WeakPolarHBondContact O-CE2 3.47Å; V175-F180 HydrophobicContact CG1-CB 4.21Å; P176-F180 PolarHBondContact O-N 2.9Å; D177-F180 WeakPolarHBondContact O-CA 3.23Å; D177-F180 WeakPolarHBondContact O-CB 3.43Å; D177-F180 PolarHBondContact O-N 3.37Å; F180-V182 VanDerWaalsContact C-N 3.33Å; F180-V182 PolarHBondContact O-N 2.95Å; F180-L183 HydrophobicContact CD2-CD2 4.44Å; F180-L183 CarbonylContact O-C 3.58Å; F180-L183 WeakPolarHBondContact O-CA 3Å; F180-L183 WeakPolarHBondContact O-CB 3.36Å; F180-L183 PolarHBondContact O-N 2.88Å; F180-L183 VanDerWaalsContact O-N 3.07Å; F180-L184 HydrophobicContact CD1-CD1 4.16Å; F180-L184 HydrophobicContact CD1-CG 4.36Å; F180-L184 HydrophobicContact CE1-CD1 3.83Å; F180-L184 HydrophobicContact CE1-CD2 4.13Å; F180-L184 HydrophobicContact CE1-CG 4.04Å; F180-L184 HydrophobicContact CZ-CD1 4.48Å; F180-L184 HydrophobicContact CZ-CD2 3.95Å; F180-L184 HydrophobicContact CZ-CG 4.28Å; F180-L184 WeakPolarHBondContact O-CG 3.36Å; F180-L184 PolarHBondContact O-N 3.36Å; F180-R224 HydrophobicContact CD1-CG 4.23Å; F180-R224 HydrophobicContact CE1-CB 4.06Å; F180-R224 HydrophobicContact CE1-CG 3.75Å; F180-R224 HydrophobicContact CE2-CB 4.08Å; F180-R224 HydrophobicContact CE2-CG 4.19Å; F180-R224 HydrophobicContact CZ-CB 3.58Å; F180-R224 HydrophobicContact CZ-CG 3.74Å; F180-E227 HydrophobicContact CE1-CB 4.46Å; F180-E227 WeakPolarHBondContact CE1-OE2 3.33Å; F180-V228 HydrophobicContact CE2-CG2 4.37Å; F180-V228 HydrophobicContact CZ-CG2 4.01Å |
| 181 | V | 96.3 | Very high | 94.3 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61 | -40 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | D177 Q185 | D177-V181 PolarHBondContact O-N 2.93Å; V181-Q185 PolarHBondContact O-NE2 3.12Å |
| 182 | V | 96.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -36.1 | 173.1 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | L145 W148 A149 T179 F180 Q185 Y186 | L145-V182 HydrophobicContact CB-CG1 4.28Å; W148-V182 HydrophobicContact CE3-CG1 4.17Å; W148-V182 HydrophobicContact CZ3-CG1 4.25Å; A149-V182 HydrophobicContact CB-CG1 3.95Å; T179-V182 PolarHBondContact O-N 3.18Å; F180-V182 VanDerWaalsContact C-N 3.33Å; F180-V182 PolarHBondContact O-N 2.95Å; V182-Q185 PolarHBondContact O-N 2.86Å; V182-Y186 PolarHBondContact O-N 3.16Å; V182-Y186 VanDerWaalsContact O-N 3.08Å |
| 183 | L | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 177 | 178.6 | 58.1 | 0 | 0 | 0 | 112.7 | L145 L165 M169 T179 F180 Q185 Y186 L187 | L145-L183 HydrophobicContact CD1-CB 3.89Å; L145-L183 HydrophobicContact CD1-CD1 4.17Å; L145-L183 HydrophobicContact CD1-CG 4.45Å; L145-L183 HydrophobicContact CD2-CB 4.45Å; L145-L183 HydrophobicContact CD2-CD1 4Å; L165-L183 HydrophobicContact CB-CD1 4.2Å; L165-L183 HydrophobicContact CB-CD2 4.31Å; L165-L183 HydrophobicContact CD1-CD1 4.29Å; L165-L183 HydrophobicContact CD2-CD2 4.45Å; M169-L183 HydrophobicContact CB-CD2 3.34Å; M169-L183 HydrophobicContact CG-CD2 4.31Å; M169-L183 HydrophobicContact SD-CD2 4.05Å; T179-L183 WeakPolarHBondContact O-CB 3.46Å; T179-L183 PolarHBondContact O-N 3.29Å; F180-L183 HydrophobicContact CD2-CD2 4.44Å; F180-L183 CarbonylContact O-C 3.58Å; F180-L183 WeakPolarHBondContact O-CA 3Å; F180-L183 WeakPolarHBondContact O-CB 3.36Å; F180-L183 PolarHBondContact O-N 2.88Å; F180-L183 VanDerWaalsContact O-N 3.07Å; L183-Q185 PolarHBondContact O-N 3.46Å; L183-Y186 HydrophobicContact CD1-CD1 3.85Å; L183-Y186 CarbonylContact O-C 3.6Å; L183-Y186 WeakPolarHBondContact O-CB 3.39Å; L183-Y186 PolarHBondContact O-N 3.02Å; L183-Y186 VanDerWaalsContact O-N 3.13Å; L183-L187 HydrophobicContact CD1-CD1 4.24Å; L183-L187 HydrophobicContact CD1-CD2 4.47Å; L183-L187 HydrophobicContact CD1-CG 4.04Å; L183-L187 HydrophobicContact CG-CD1 3.99Å; L183-L187 HydrophobicContact CG-CG 4.28Å; L183-L187 WeakPolarHBondContact O-CB 3.47Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.38Å; L183-L187 PolarHBondContact O-N 2.87Å |
| 184 | L | 96.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.3 | -69.1 | 174.1 | 0 | 0 | 0 | 111 | F180 Y186 L187 E188 V228 L231 | F180-L184 HydrophobicContact CD1-CD1 4.16Å; F180-L184 HydrophobicContact CD1-CG 4.36Å; F180-L184 HydrophobicContact CE1-CD1 3.83Å; F180-L184 HydrophobicContact CE1-CD2 4.13Å; F180-L184 HydrophobicContact CE1-CG 4.04Å; F180-L184 HydrophobicContact CZ-CD1 4.48Å; F180-L184 HydrophobicContact CZ-CD2 3.95Å; F180-L184 HydrophobicContact CZ-CG 4.28Å; F180-L184 WeakPolarHBondContact O-CG 3.36Å; F180-L184 PolarHBondContact O-N 3.36Å; L184-Y186 VanDerWaalsContact C-N 3.3Å; L184-Y186 PolarHBondContact O-N 3.32Å; L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 2.94Å; L184-E188 PolarHBondContact O-N 3.13Å; L184-V228 HydrophobicContact CD2-CG2 3.87Å; L184-L231 HydrophobicContact CB-CD2 4.22Å; L184-L231 HydrophobicContact CD2-CD2 3.9Å; L184-L231 VanDerWaalsContact O-CD2 3.28Å; L184-L231 WeakPolarHBondContact O-CD2 3.17Å |
| 185 | Q | 96.1 | Very high | 93.9 | Very high | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 173.5 | -65.6 | 163 | 74.9 | 0 | 0 | 112.4 | W148 V181 V182 L183 L187 | W148-Q185 VanDerWaalsContact CH2-C 3.49Å; W148-Q185 HydrophobicContact CH2-CB 3.86Å; W148-Q185 HydrophobicContact CZ3-CB 4.04Å; V181-Q185 PolarHBondContact O-NE2 3.12Å; V182-Q185 PolarHBondContact O-N 2.86Å; L183-Q185 PolarHBondContact O-N 3.46Å; Q185-L187 VanDerWaalsContact C-N 3.32Å |
| 186 | Y | 95.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 66.5 Ų | 66.5 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.4 | -31.6 | 173.5 | 175.5 | -103 | 0 | 0 | 0 | 113.1 | Y144 L145 W148 W155 Q162 V182 L183 L184 | Y144-Y186 PolarHBondContact OH-OH 3.5Å; L145-Y186 HydrophobicContact CD2-CD1 4.14Å; L145-Y186 HydrophobicContact CD2-CG 3.9Å; W148-Y186 AromaticContact CD1-CD2 3.76Å; W148-Y186 AromaticContact CD2-CD2 3.77Å; W148-Y186 HydrophobicContact CD2-CD2 3.77Å; W148-Y186 HydrophobicContact CD2-CG 4.48Å; W148-Y186 AromaticContact CE2-CD2 3.67Å; W148-Y186 HydrophobicContact CE3-CD2 4.42Å; W148-Y186 AromaticContact CG-CD2 3.85Å; W148-Y186 HydrophobicContact CG-CD2 3.85Å; W148-Y186 HydrophobicContact CG-CE2 4.4Å; W148-Y186 HydrophobicContact CZ2-CD2 4.26Å; W148-Y186 AromaticContact NE1-CD2 3.61Å; W155-Y186 HydrophobicContact CH2-CE2 4.4Å; W155-Y186 AromaticContact CZ2-CE2 3.74Å; W155-Y186 HydrophobicContact CZ2-CE2 3.74Å; Q162-Y186 HydrophobicContact CG-CE1 4.11Å; Q162-Y186 PolarHBondContact NE2-OH 3.47Å; V182-Y186 PolarHBondContact O-N 3.16Å; V182-Y186 VanDerWaalsContact O-N 3.08Å; L183-Y186 HydrophobicContact CD1-CD1 3.85Å; L183-Y186 CarbonylContact O-C 3.6Å; L183-Y186 WeakPolarHBondContact O-CB 3.39Å; L183-Y186 PolarHBondContact O-N 3.02Å; L183-Y186 VanDerWaalsContact O-N 3.13Å; L184-Y186 VanDerWaalsContact C-N 3.3Å; L184-Y186 PolarHBondContact O-N 3.32Å |
| 187 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -79.4 | -27.3 | -179.7 | -71.5 | 171.4 | 0 | 0 | 0 | 113 | L166 M169 L183 L184 Q185 G189 M190 L231 F232 | L166-L187 HydrophobicContact CD2-CD2 3.57Å; M169-L187 HydrophobicContact CE-CD1 4.36Å; M169-L187 HydrophobicContact SD-CD1 3.87Å; L183-L187 HydrophobicContact CD1-CD1 4.24Å; L183-L187 HydrophobicContact CD1-CD2 4.47Å; L183-L187 HydrophobicContact CD1-CG 4.04Å; L183-L187 HydrophobicContact CG-CD1 3.99Å; L183-L187 HydrophobicContact CG-CG 4.28Å; L183-L187 WeakPolarHBondContact O-CB 3.47Å; L183-L187 VanDerWaalsContact O-CG 3.24Å; L183-L187 WeakPolarHBondContact O-CG 3.38Å; L183-L187 PolarHBondContact O-N 2.87Å; L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 2.94Å; Q185-L187 VanDerWaalsContact C-N 3.32Å; L187-G189 VanDerWaalsContact C-N 3.25Å; L187-G189 PolarHBondContact O-N 3.19Å; L187-M190 HydrophobicContact CD2-CE 3.61Å; L187-M190 HydrophobicContact CD2-SD 4.19Å; L187-M190 WeakPolarHBondContact O-CB 3.29Å; L187-M190 PolarHBondContact O-N 2.79Å; L187-L231 HydrophobicContact CB-CD2 3.68Å; L187-F232 HydrophobicContact CB-CZ 3.97Å; L187-F232 WeakPolarHBondContact O-CE1 3.45Å |
| 188 | E | 93.5 | Very high | 93.9 | Very high | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -53 | -42.9 | 175 | -168.3 | -177.3 | 175.6 | 0 | 0 | 111.9 | L184 M190 L231 | L184-E188 PolarHBondContact O-N 3.13Å; E188-M190 PolarHBondContact O-N 3.3Å; E188-M190 VanDerWaalsContact O-N 3.13Å; E188-L231 HydrophobicContact CB-CD1 4.2Å; E188-L231 HydrophobicContact CG-CD1 4.44Å |
| 189 | G | 89.4 | Confident | 94 | Very high | 56 Ų | 56 | 58 Ų | 58 | 58% | 0.577 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 14.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | L187 F191 | L187-G189 VanDerWaalsContact C-N 3.25Å; L187-G189 PolarHBondContact O-N 3.19Å; G189-F191 WeakPolarHBondContact O-CD2 3.45Å; G189-F191 WeakPolarHBondContact O-CE2 3.45Å |
| 190 | M | 90 | Very high | 94.1 | Very high | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | trans | -107 | 122.5 | -175.3 | -168.4 | 174.9 | 64.5 | 0 | 0 | 112.9 | L166 L187 E188 A194 F232 | L166-M190 HydrophobicContact CD1-SD 4.19Å; L166-M190 HydrophobicContact CD2-CE 4.11Å; L187-M190 HydrophobicContact CD2-CE 3.61Å; L187-M190 HydrophobicContact CD2-SD 4.19Å; L187-M190 WeakPolarHBondContact O-CB 3.29Å; L187-M190 PolarHBondContact O-N 2.79Å; E188-M190 PolarHBondContact O-N 3.3Å; E188-M190 VanDerWaalsContact O-N 3.13Å; M190-A194 HydrophobicContact CE-CB 4.21Å; M190-A194 HydrophobicContact CG-CB 3.82Å; M190-A194 HydrophobicContact SD-CB 3.58Å; M190-A194 VanDerWaalsContact SD-CB 3.58Å; M190-F232 HydrophobicContact CE-CE2 4.37Å; M190-F232 HydrophobicContact CE-CZ 3.8Å | ||
| 191 | F | 87.3 | Confident | 94.1 | Very high | 164 Ų | 164 | 67.8 Ų | 67.8 | 72% | 0.719 | 35% | 0.35 | S | S | * | . | trans | -119.8 | 160 | -171.2 | -59.7 | -79.4 | 0 | 0 | 0 | 114.6 | G189 | G189-F191 WeakPolarHBondContact O-CD2 3.45Å; G189-F191 WeakPolarHBondContact O-CE2 3.45Å | ||
| 192 | G | 91.1 | Very high | 94.1 | Very high | 40 Ų | 40 | 63.8 Ų | 63.8 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -148.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A194 K195 E196 | G192-A194 PolarHBondContact O-N 3.13Å; G192-K195 WeakPolarHBondContact O-CA 3.42Å; G192-K195 WeakPolarHBondContact O-CB 3.39Å; G192-K195 PolarHBondContact O-N 2.82Å; G192-E196 WeakPolarHBondContact CA-OE1 3.39Å; G192-E196 PolarHBondContact O-N 2.98Å |
| 193 | R | 91.4 | Very high | 94.1 | Very high | 204 Ų | 204 | 66.5 Ų | 66.5 | 77% | 0.77 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -49.9 | -22.2 | -173.1 | -73.9 | -174.9 | -69.5 | -146.1 | -4.7 | 116.4 | E196 T197 | R193-E196 VanDerWaalsContact CA-CD 3.48Å; R193-E196 WeakPolarHBondContact CA-OE1 3.41Å; R193-E196 WeakPolarHBondContact CG-OE2 3.34Å; R193-E196 PolarHBondContact N-OE1 2.94Å; R193-T197 WeakPolarHBondContact O-CB 3.44Å; R193-T197 WeakPolarHBondContact O-CG2 3.5Å; R193-T197 PolarHBondContact O-N 3.06Å; R193-T197 VanDerWaalsContact O-N 3.11Å; R193-T197 PolarHBondContact O-OG1 3.3Å |
| 194 | A | 89.1 | Confident | 94.1 | Very high | 34 Ų | 34 | 68.9 Ų | 68.9 | 28% | 0.281 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.2 | -40.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M190 G192 T198 | M190-A194 HydrophobicContact CE-CB 4.21Å; M190-A194 HydrophobicContact CG-CB 3.82Å; M190-A194 HydrophobicContact SD-CB 3.58Å; M190-A194 VanDerWaalsContact SD-CB 3.58Å; G192-A194 PolarHBondContact O-N 3.13Å; A194-T198 VanDerWaalsContact O-CB 3.31Å; A194-T198 WeakPolarHBondContact O-CB 3.32Å; A194-T198 PolarHBondContact O-N 3.37Å; A194-T198 PolarHBondContact O-OG1 3.26Å |
| 195 | K | 94.3 | Very high | 94 | Very high | 65 Ų | 65 | 69.1 Ų | 69.1 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -54.5 | 169.6 | 173.7 | 170.4 | 175.3 | 168.8 | 0 | 110 | G192 T197 T198 V199 F232 | G192-K195 WeakPolarHBondContact O-CA 3.42Å; G192-K195 WeakPolarHBondContact O-CB 3.39Å; G192-K195 PolarHBondContact O-N 2.82Å; K195-T197 PolarHBondContact O-N 3.42Å; K195-T198 WeakPolarHBondContact O-CB 3.44Å; K195-T198 PolarHBondContact O-N 2.98Å; K195-V199 HydrophobicContact CG-CG2 4.39Å; K195-V199 WeakPolarHBondContact O-CG2 3.34Å; K195-V199 PolarHBondContact O-N 3.3Å; K195-F232 HydrophobicContact CB-CE1 4.33Å; K195-F232 HydrophobicContact CB-CZ 4.5Å; K195-F232 HydrophobicContact CD-CB 4.39Å; K195-F232 HydrophobicContact CD-CD1 3.51Å; K195-F232 HydrophobicContact CD-CE1 3.97Å; K195-F232 HydrophobicContact CD-CG 4.06Å; K195-F232 VanDerWaalsContact CE-CD1 3.47Å; K195-F232 WeakPolarHBondContact CE-O 3.35Å; K195-F232 HydrophobicContact CG-CB 4.34Å; K195-F232 HydrophobicContact CG-CD1 3.63Å; K195-F232 HydrophobicContact CG-CD2 4.24Å; K195-F232 HydrophobicContact CG-CE1 3.88Å; K195-F232 HydrophobicContact CG-CE2 4.47Å; K195-F232 HydrophobicContact CG-CG 3.82Å; K195-F232 HydrophobicContact CG-CZ 4.3Å; K195-F232 PolarHBondContact NZ-O 3.25Å |
| 196 | E | 95.3 | Very high | 94 | Very high | 102 Ų | 102 | 66.2 Ų | 66.2 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51.3 | -54 | -179.3 | -62.1 | 155.2 | -135.4 | 0 | 0 | 112.8 | G192 R193 T198 V199 Q200 | G192-E196 WeakPolarHBondContact CA-OE1 3.39Å; G192-E196 PolarHBondContact O-N 2.98Å; R193-E196 VanDerWaalsContact CA-CD 3.48Å; R193-E196 WeakPolarHBondContact CA-OE1 3.41Å; R193-E196 WeakPolarHBondContact CG-OE2 3.34Å; R193-E196 PolarHBondContact N-OE1 2.94Å; E196-T198 PolarHBondContact O-N 3.39Å; E196-V199 PolarHBondContact O-N 3.35Å; E196-Q200 WeakPolarHBondContact O-CG 3.4Å; E196-Q200 PolarHBondContact O-N 3Å |
| 197 | T | 95.3 | Very high | 94 | Very high | 68 Ų | 68 | 71.1 Ų | 71.1 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74.3 | -11 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | R193 K195 K201 | R193-T197 WeakPolarHBondContact O-CB 3.44Å; R193-T197 WeakPolarHBondContact O-CG2 3.5Å; R193-T197 PolarHBondContact O-N 3.06Å; R193-T197 VanDerWaalsContact O-N 3.11Å; R193-T197 PolarHBondContact O-OG1 3.3Å; K195-T197 PolarHBondContact O-N 3.42Å; T197-K201 WeakPolarHBondContact O-CD 3.32Å; T197-K201 WeakPolarHBondContact O-CG 3.39Å |
| 198 | T | 96 | Very high | 93.9 | Very high | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.025 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -84.4 | -47.2 | 170.9 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | L166 M169 A194 K195 E196 Q200 K201 A202 V228 F232 | L166-T198 HydrophobicContact CD2-CG2 3.99Å; M169-T198 HydrophobicContact CE-CG2 3.5Å; M169-T198 VanDerWaalsContact CE-CG2 3.5Å; A194-T198 VanDerWaalsContact O-CB 3.31Å; A194-T198 WeakPolarHBondContact O-CB 3.32Å; A194-T198 PolarHBondContact O-N 3.37Å; A194-T198 PolarHBondContact O-OG1 3.26Å; K195-T198 WeakPolarHBondContact O-CB 3.44Å; K195-T198 PolarHBondContact O-N 2.98Å; E196-T198 PolarHBondContact O-N 3.39Å; T198-Q200 PolarHBondContact O-N 2.65Å; T198-K201 PolarHBondContact O-N 2.65Å; T198-K201 VanDerWaalsContact O-N 3.16Å; T198-A202 PolarHBondContact O-N 3Å; T198-V228 HydrophobicContact CG2-CG1 3.83Å; T198-F232 HydrophobicContact CG2-CE2 3.98Å |
| 199 | V | 96.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 70 Ų | 70 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 174.3 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | K195 E196 K201 A202 L203 F232 | K195-V199 HydrophobicContact CG-CG2 4.39Å; K195-V199 WeakPolarHBondContact O-CG2 3.34Å; K195-V199 PolarHBondContact O-N 3.3Å; E196-V199 PolarHBondContact O-N 3.35Å; V199-K201 VanDerWaalsContact C-N 3.29Å; V199-K201 PolarHBondContact O-N 2.79Å; V199-A202 PolarHBondContact O-N 3.11Å; V199-L203 HydrophobicContact CG1-CD1 3.87Å; V199-L203 HydrophobicContact CG1-CG 4.33Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 3.2Å; V199-F232 HydrophobicContact CG2-CB 3.53Å; V199-F232 HydrophobicContact CG2-CD2 3.56Å; V199-F232 HydrophobicContact CG2-CG 3.87Å |
| 200 | Q | 96.9 | Very high | 94.1 | Very high | 131 Ų | 131 | 70.1 Ų | 70.1 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.9 | -38.1 | 177 | -75.7 | 176.6 | -22.9 | 0 | 0 | 113.2 | E196 T198 A204 | E196-Q200 WeakPolarHBondContact O-CG 3.4Å; E196-Q200 PolarHBondContact O-N 3Å; T198-Q200 PolarHBondContact O-N 2.65Å; Q200-A204 PolarHBondContact O-N 2.63Å |
| 201 | K | 96 | Very high | 94.2 | Very high | 105 Ų | 105 | 76.1 Ų | 76.1 | 46% | 0.457 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.2 | -39.9 | 176.1 | -72.2 | 173.6 | 179.7 | -178.7 | 0 | 112.4 | T197 T198 V199 L203 A204 L205 | T197-K201 WeakPolarHBondContact O-CD 3.32Å; T197-K201 WeakPolarHBondContact O-CG 3.39Å; T198-K201 PolarHBondContact O-N 2.65Å; T198-K201 VanDerWaalsContact O-N 3.16Å; V199-K201 VanDerWaalsContact C-N 3.29Å; V199-K201 PolarHBondContact O-N 2.79Å; K201-L203 VanDerWaalsContact C-N 3.34Å; K201-A204 PolarHBondContact O-N 2.98Å; K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 2.77Å |
| 202 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y170 T198 V199 A204 L205 V206 A225 V228 I229 | Y170-A202 HydrophobicContact CE1-CB 4.31Å; T198-A202 PolarHBondContact O-N 3Å; V199-A202 PolarHBondContact O-N 3.11Å; A202-A204 PolarHBondContact O-N 3.1Å; A202-L205 PolarHBondContact O-N 2.83Å; A202-V206 WeakPolarHBondContact O-CG2 3.43Å; A202-V206 PolarHBondContact O-N 3.2Å; A202-A225 HydrophobicContact CB-CB 3.95Å; A202-V228 HydrophobicContact CB-CG1 4.32Å; A202-I229 HydrophobicContact CB-CD1 3.96Å; A202-I229 HydrophobicContact CB-CG1 3.65Å |
| 203 | L | 97.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 73.6 Ų | 73.6 | 49% | 0.492 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 174.6 | -71.9 | 167.1 | 0 | 0 | 0 | 112 | V199 K201 L205 V206 E207 I229 | V199-L203 HydrophobicContact CG1-CD1 3.87Å; V199-L203 HydrophobicContact CG1-CG 4.33Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 3.2Å; K201-L203 VanDerWaalsContact C-N 3.34Å; L203-L205 PolarHBondContact O-N 2.83Å; L203-V206 PolarHBondContact O-N 2.7Å; L203-E207 PolarHBondContact O-N 2.95Å; L203-I229 HydrophobicContact CD2-CD1 3.74Å; L203-I229 HydrophobicContact CD2-CG1 4.34Å; L203-I229 HydrophobicContact CG-CD1 4.03Å; L203-I229 HydrophobicContact CG-CG1 4.34Å |
| 204 | A | 96.3 | Very high | 94.1 | Very high | 52 Ų | 52 | 72.7 Ų | 72.7 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q200 K201 A202 E207 E208 | Q200-A204 PolarHBondContact O-N 2.63Å; K201-A204 PolarHBondContact O-N 2.98Å; A202-A204 PolarHBondContact O-N 3.1Å; A204-E207 PolarHBondContact O-N 2.88Å; A204-E208 WeakPolarHBondContact O-CB 3.41Å; A204-E208 PolarHBondContact O-N 3.39Å |
| 205 | L | 95.3 | Very high | 94.3 | Very high | 36 Ų | 36 | 74.3 Ų | 74.3 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 175.3 | -72.7 | 167.6 | 0 | 0 | 0 | 112.6 | Y170 K201 A202 L203 S209 A225 | Y170-L205 HydrophobicContact CD1-CD1 4Å; Y170-L205 HydrophobicContact CD2-CD1 3.36Å; Y170-L205 HydrophobicContact CE1-CD1 4.15Å; Y170-L205 HydrophobicContact CE2-CD1 3.52Å; Y170-L205 HydrophobicContact CG-CD1 3.61Å; K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 2.77Å; A202-L205 PolarHBondContact O-N 2.83Å; L203-L205 PolarHBondContact O-N 2.83Å; L205-S209 PolarHBondContact O-N 2.95Å; L205-A225 HydrophobicContact CB-CB 4.17Å |
| 206 | V | 96.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 74.9 Ų | 74.9 | 24% | 0.242 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | A202 L203 E208 S209 G210 A222 A225 R226 I229 | A202-V206 WeakPolarHBondContact O-CG2 3.43Å; A202-V206 PolarHBondContact O-N 3.2Å; L203-V206 PolarHBondContact O-N 2.7Å; V206-E208 PolarHBondContact O-N 2.98Å; V206-S209 PolarHBondContact O-N 2.99Å; V206-S209 PolarHBondContact O-OG 3.16Å; V206-G210 PolarHBondContact O-N 3.35Å; V206-A222 HydrophobicContact CG2-CB 4.39Å; V206-A225 HydrophobicContact CG2-CB 3.88Å; V206-R226 HydrophobicContact CG1-CG 4.5Å; V206-R226 HydrophobicContact CG2-CG 3.78Å; V206-I229 HydrophobicContact CG2-CD1 4.08Å |
| 207 | E | 95.8 | Very high | 94 | Very high | 122 Ų | 122 | 72.2 Ų | 72.2 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.4 | -40.2 | 175.5 | -162 | -159.6 | 140 | 0 | 0 | 112.3 | L203 A204 G210 K211 | L203-E207 PolarHBondContact O-N 2.95Å; A204-E207 PolarHBondContact O-N 2.88Å; E207-G210 PolarHBondContact O-N 2.69Å; E207-K211 VanDerWaalsContact OE1-CE 3.29Å; E207-K211 WeakPolarHBondContact OE1-CE 3.24Å; E207-K211 IonicContact OE1-NZ 3.02Å; E207-K211 PolarHBondContact OE1-NZ 3.3Å |
| 208 | E | 93.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 174.6 | -174.7 | 170.4 | -158.2 | 0 | 0 | 111.9 | A204 V206 G210 K211 V212 V218 | A204-E208 WeakPolarHBondContact O-CB 3.41Å; A204-E208 PolarHBondContact O-N 3.39Å; V206-E208 PolarHBondContact O-N 2.98Å; E208-G210 PolarHBondContact O-N 3.02Å; E208-K211 WeakPolarHBondContact O-CA 3.26Å; E208-K211 WeakPolarHBondContact O-CB 3.32Å; E208-K211 PolarHBondContact O-N 3.38Å; E208-V212 PolarHBondContact O-N 2.92Å; E208-V212 VanDerWaalsContact O-N 3.09Å; E208-V218 HydrophobicContact CG-CG1 4.49Å |
| 209 | S | 93.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 6% | 0.056 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.7 | -25.3 | 176.1 | 76.5 | 0 | 0 | 0 | 0 | 114.3 | L205 V206 K211 V212 Q219 A222 | L205-S209 PolarHBondContact O-N 2.95Å; V206-S209 PolarHBondContact O-N 2.99Å; V206-S209 PolarHBondContact O-OG 3.16Å; S209-K211 VanDerWaalsContact C-N 3.3Å; S209-V212 CarbonylContact O-C 3.49Å; S209-Q219 PolarHBondContact O-NE2 3.18Å; S209-A222 VanDerWaalsContact OG-CB 3.25Å; S209-A222 WeakPolarHBondContact OG-CB 3.47Å |
| 210 | G | 91.7 | Very high | 93.8 | Very high | 58 Ų | 58 | 74.2 Ų | 74.2 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.1 | -23.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V206 E207 E208 | V206-G210 PolarHBondContact O-N 3.35Å; E207-G210 PolarHBondContact O-N 2.69Å; E208-G210 PolarHBondContact O-N 3.02Å |
| 211 | K | 92.7 | Very high | 93.7 | Very high | 140 Ų | 140 | 71.9 Ų | 71.9 | 61% | 0.609 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -90.2 | -25.1 | 179.1 | -60.6 | 167.1 | -168.8 | 169.9 | 0 | 112.5 | E207 E208 S209 | E207-K211 VanDerWaalsContact OE1-CE 3.29Å; E207-K211 WeakPolarHBondContact OE1-CE 3.24Å; E207-K211 IonicContact OE1-NZ 3.02Å; E207-K211 PolarHBondContact OE1-NZ 3.3Å; E208-K211 WeakPolarHBondContact O-CA 3.26Å; E208-K211 WeakPolarHBondContact O-CB 3.32Å; E208-K211 PolarHBondContact O-N 3.38Å; S209-K211 VanDerWaalsContact C-N 3.3Å |
| 212 | V | 92.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 39% | 0.394 | 37% | 0.372 | S | S | . | . | trans | -126.2 | 72.4 | 175.3 | -165 | 0 | 0 | 0 | 0 | 111.3 | E208 S209 Q214 D215 Q219 | E208-V212 PolarHBondContact O-N 2.92Å; E208-V212 VanDerWaalsContact O-N 3.09Å; S209-V212 CarbonylContact O-C 3.49Å; V212-Q214 PolarHBondContact O-N 3.42Å; V212-D215 HydrophobicContact CG1-CB 3.73Å; V212-D215 PolarHBondContact O-N 3.19Å; V212-Q219 PolarHBondContact O-NE2 2.92Å; V212-Q219 VanDerWaalsContact O-NE2 3.12Å | ||
| 213 | P | 86.9 | Confident | 93.7 | Very high | 86 Ų | 86 | 72 Ų | 72 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.6 | -179.1 | -24.9 | 36.4 | 0 | 0 | 0 | 114.8 | ||
| 214 | Q | 89 | Confident | 93.7 | Very high | 185 Ų | 185 | 67.8 Ų | 67.8 | 86% | 0.864 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12.7 | -172.7 | -62.7 | -67.6 | -17.1 | 0 | 0 | 114.1 | V212 A216 | V212-Q214 PolarHBondContact O-N 3.42Å; Q214-A216 PolarHBondContact O-N 3.38Å |
| 215 | D | 92.4 | Very high | 93.8 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | trans | -90.6 | 106.1 | 179.5 | -175.2 | -36.5 | 0 | 0 | 0 | 110.5 | V212 S217 V218 Q219 | V212-D215 HydrophobicContact CG1-CB 3.73Å; V212-D215 PolarHBondContact O-N 3.19Å; D215-S217 VanDerWaalsContact C-N 3.27Å; D215-S217 PolarHBondContact O-N 3.32Å; D215-S217 WeakPolarHBondContact OD1-CA 3.31Å; D215-S217 WeakPolarHBondContact OD1-CB 3.37Å; D215-S217 PolarHBondContact OD1-N 2.92Å; D215-V218 HydrophobicContact CB-CB 3.99Å; D215-V218 HydrophobicContact CB-CG2 3.87Å; D215-V218 PolarHBondContact O-N 3.26Å; D215-V218 PolarHBondContact OD1-N 2.88Å; D215-Q219 WeakPolarHBondContact O-CG 3.44Å; D215-Q219 PolarHBondContact O-N 3.27Å | ||
| 216 | A | 92.6 | Very high | 93.9 | Very high | 78 Ų | 78 | 68.7 Ų | 68.7 | 65% | 0.645 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.7 | -29.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q214 Q220 | Q214-A216 PolarHBondContact O-N 3.38Å; A216-Q220 WeakPolarHBondContact O-CB 3.33Å; A216-Q220 PolarHBondContact O-N 3.39Å |
| 217 | S | 91.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 69.8 Ų | 69.8 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 175.5 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | D215 Q220 R221 | D215-S217 VanDerWaalsContact C-N 3.27Å; D215-S217 PolarHBondContact O-N 3.32Å; D215-S217 WeakPolarHBondContact OD1-CA 3.31Å; D215-S217 WeakPolarHBondContact OD1-CB 3.37Å; D215-S217 PolarHBondContact OD1-N 2.92Å; S217-Q220 PolarHBondContact O-N 3.14Å; S217-R221 WeakPolarHBondContact O-CB 3.24Å; S217-R221 WeakPolarHBondContact O-CD 3.34Å; S217-R221 VanDerWaalsContact O-CG 3.23Å; S217-R221 WeakPolarHBondContact O-CG 3.11Å; S217-R221 PolarHBondContact O-N 2.85Å; S217-R221 PolarHBondContact OG-NH1 2.8Å |
| 218 | V | 93.3 | Very high | 94 | Very high | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 173.5 | 178 | 0 | 0 | 0 | 0 | 110.9 | E208 D215 Q220 R221 A222 | E208-V218 HydrophobicContact CG-CG1 4.49Å; D215-V218 HydrophobicContact CB-CB 3.99Å; D215-V218 HydrophobicContact CB-CG2 3.87Å; D215-V218 PolarHBondContact O-N 3.26Å; D215-V218 PolarHBondContact OD1-N 2.88Å; V218-Q220 PolarHBondContact O-N 2.86Å; V218-R221 PolarHBondContact O-N 3.16Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.06Å |
| 219 | Q | 95.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.9 | -64.9 | -48 | -47.2 | 0 | 0 | 112.8 | S209 V212 D215 A222 Q223 | S209-Q219 PolarHBondContact O-NE2 3.18Å; V212-Q219 PolarHBondContact O-NE2 2.92Å; V212-Q219 VanDerWaalsContact O-NE2 3.12Å; D215-Q219 WeakPolarHBondContact O-CG 3.44Å; D215-Q219 PolarHBondContact O-N 3.27Å; Q219-A222 PolarHBondContact O-N 2.65Å; Q219-Q223 PolarHBondContact O-N 3.12Å |
| 220 | Q | 94.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 68.4 Ų | 68.4 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 176.2 | -170.4 | -172.5 | 47.6 | 0 | 0 | 111.8 | S172 A216 S217 V218 A222 Q223 R224 | S172-Q220 VanDerWaalsContact OG-CD 3.29Å; S172-Q220 PolarHBondContact OG-NE2 3.01Å; S172-Q220 PolarHBondContact OG-OE1 2.98Å; A216-Q220 WeakPolarHBondContact O-CB 3.33Å; A216-Q220 PolarHBondContact O-N 3.39Å; S217-Q220 PolarHBondContact O-N 3.14Å; V218-Q220 PolarHBondContact O-N 2.86Å; Q220-A222 VanDerWaalsContact C-N 3.26Å; Q220-A222 PolarHBondContact O-N 3.47Å; Q220-Q223 WeakPolarHBondContact O-CB 3.41Å; Q220-Q223 PolarHBondContact O-N 3.43Å; Q220-Q223 VanDerWaalsContact O-N 3.13Å; Q220-R224 PolarHBondContact O-N 3.15Å; Q220-R224 VanDerWaalsContact O-N 3.15Å |
| 221 | R | 95.6 | Very high | 94.4 | Very high | 83 Ų | 83 | 68.1 Ų | 68.1 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 174.2 | -75.9 | 164.3 | 176.7 | 158.2 | 3.3 | 111.5 | Y170 D171 S217 V218 A225 | Y170-R221 WeakPolarHBondContact O-CA 3.31Å; Y170-R221 WeakPolarHBondContact O-CG 3.47Å; D171-R221 IonicContact OD2-CZ 2.63Å; D171-R221 IonicContact OD2-NE 2.69Å; D171-R221 IonicContact OD2-NH2 2.63Å; D171-R221 PolarHBondContact OD2-NH2 2.99Å; S217-R221 WeakPolarHBondContact O-CB 3.24Å; S217-R221 WeakPolarHBondContact O-CD 3.34Å; S217-R221 VanDerWaalsContact O-CG 3.23Å; S217-R221 WeakPolarHBondContact O-CG 3.11Å; S217-R221 PolarHBondContact O-N 2.85Å; S217-R221 PolarHBondContact OG-NH1 2.8Å; V218-R221 PolarHBondContact O-N 3.16Å; R221-A225 WeakPolarHBondContact O-CB 3.26Å; R221-A225 PolarHBondContact O-N 3.17Å |
| 222 | A | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.2 | -29 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V206 S209 V218 Q219 Q220 A225 R226 | V206-A222 HydrophobicContact CG2-CB 4.39Å; S209-A222 VanDerWaalsContact OG-CB 3.25Å; S209-A222 WeakPolarHBondContact OG-CB 3.47Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.06Å; Q219-A222 PolarHBondContact O-N 2.65Å; Q220-A222 VanDerWaalsContact C-N 3.26Å; Q220-A222 PolarHBondContact O-N 3.47Å; A222-A225 PolarHBondContact O-N 3.47Å; A222-R226 WeakPolarHBondContact O-CG 3.12Å; A222-R226 PolarHBondContact O-N 3.4Å |
| 223 | Q | 96.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 66.3 Ų | 66.3 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -54.4 | 170.8 | -178.8 | -179.2 | -33.4 | 0 | 0 | 110.8 | Q219 Q220 A225 R226 E227 | Q219-Q223 PolarHBondContact O-N 3.12Å; Q220-Q223 WeakPolarHBondContact O-CB 3.41Å; Q220-Q223 PolarHBondContact O-N 3.43Å; Q220-Q223 VanDerWaalsContact O-N 3.13Å; Q223-A225 PolarHBondContact O-N 3.5Å; Q223-R226 WeakPolarHBondContact O-CB 3.06Å; Q223-R226 PolarHBondContact O-N 2.87Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.29Å; Q223-E227 PolarHBondContact NE2-OE1 2.88Å; Q223-E227 PolarHBondContact O-N 3.46Å; Q223-E227 VanDerWaalsContact O-N 3.13Å |
| 224 | R | 97.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.7 | -31.4 | 174.9 | -72.5 | -171.2 | 175 | -174.2 | 1.7 | 112.6 | M169 Y170 D171 V175 D177 F180 Q220 E227 V228 | M169-R224 VanDerWaalsContact O-CD 3.29Å; M169-R224 WeakPolarHBondContact O-CD 3.45Å; M169-R224 PolarHBondContact O-NH1 3.3Å; Y170-R224 HydrophobicContact CD1-CB 4.36Å; D171-R224 PolarHBondContact O-NH1 2.87Å; V175-R224 VanDerWaalsContact O-CZ 3.26Å; V175-R224 PolarHBondContact O-NH1 3.06Å; V175-R224 PolarHBondContact O-NH2 2.9Å; D177-R224 IonicContact OD1-CZ 2.73Å; D177-R224 IonicContact OD1-NE 3.63Å; D177-R224 PolarHBondContact OD1-NE 3.05Å; D177-R224 IonicContact OD1-NH2 2.68Å; D177-R224 PolarHBondContact OD1-NH2 3.32Å; D177-R224 IonicContact OD2-NH2 3.84Å; F180-R224 HydrophobicContact CD1-CG 4.23Å; F180-R224 HydrophobicContact CE1-CB 4.06Å; F180-R224 HydrophobicContact CE1-CG 3.75Å; F180-R224 HydrophobicContact CE2-CB 4.08Å; F180-R224 HydrophobicContact CE2-CG 4.19Å; F180-R224 HydrophobicContact CZ-CB 3.58Å; F180-R224 HydrophobicContact CZ-CG 3.74Å; Q220-R224 PolarHBondContact O-N 3.15Å; Q220-R224 VanDerWaalsContact O-N 3.15Å; R224-E227 PolarHBondContact O-N 3.02Å; R224-V228 WeakPolarHBondContact O-CG2 3.3Å; R224-V228 PolarHBondContact O-N 2.95Å |
| 225 | A | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y170 A202 L205 V206 R221 A222 Q223 V228 I229 | Y170-A225 HydrophobicContact CD1-CB 4.02Å; Y170-A225 HydrophobicContact CE1-CB 3.92Å; A202-A225 HydrophobicContact CB-CB 3.95Å; L205-A225 HydrophobicContact CB-CB 4.17Å; V206-A225 HydrophobicContact CG2-CB 3.88Å; R221-A225 WeakPolarHBondContact O-CB 3.26Å; R221-A225 PolarHBondContact O-N 3.17Å; A222-A225 PolarHBondContact O-N 3.47Å; Q223-A225 PolarHBondContact O-N 3.5Å; A225-V228 PolarHBondContact O-N 2.99Å; A225-I229 WeakPolarHBondContact O-CD1 3.41Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.17Å; A225-I229 PolarHBondContact O-N 2.89Å |
| 226 | R | 97.3 | Very high | 94.9 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 173.1 | -72.5 | 178.5 | -72.7 | -94.5 | 6.8 | 111.7 | V206 A222 Q223 V228 I229 Q230 | V206-R226 HydrophobicContact CG1-CG 4.5Å; V206-R226 HydrophobicContact CG2-CG 3.78Å; A222-R226 WeakPolarHBondContact O-CG 3.12Å; A222-R226 PolarHBondContact O-N 3.4Å; Q223-R226 WeakPolarHBondContact O-CB 3.06Å; Q223-R226 PolarHBondContact O-N 2.87Å; R226-V228 PolarHBondContact O-N 2.64Å; R226-I229 PolarHBondContact O-N 3.37Å; R226-Q230 WeakPolarHBondContact O-CB 3.2Å; R226-Q230 PolarHBondContact O-N 2.81Å |
| 227 | E | 97.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -42 | 175.9 | -66.2 | 168.9 | -129.5 | 0 | 0 | 112 | F180 Q223 R224 I229 Q230 L231 | F180-E227 HydrophobicContact CE1-CB 4.46Å; F180-E227 WeakPolarHBondContact CE1-OE2 3.33Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.29Å; Q223-E227 PolarHBondContact NE2-OE1 2.88Å; Q223-E227 PolarHBondContact O-N 3.46Å; Q223-E227 VanDerWaalsContact O-N 3.13Å; R224-E227 PolarHBondContact O-N 3.02Å; E227-I229 PolarHBondContact O-N 3.1Å; E227-Q230 PolarHBondContact O-N 3.31Å; E227-L231 PolarHBondContact O-N 2.81Å |
| 228 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 175.1 | 169 | 0 | 0 | 0 | 0 | 112.7 | M169 Y170 F180 L184 T198 A202 R224 A225 R226 F232 | M169-V228 HydrophobicContact CE-CG1 3.92Å; M169-V228 HydrophobicContact CE-CG2 3.96Å; Y170-V228 HydrophobicContact CE1-CB 4.47Å; Y170-V228 HydrophobicContact CE1-CG2 4.35Å; F180-V228 HydrophobicContact CE2-CG2 4.37Å; F180-V228 HydrophobicContact CZ-CG2 4.01Å; L184-V228 HydrophobicContact CD2-CG2 3.87Å; T198-V228 HydrophobicContact CG2-CG1 3.83Å; A202-V228 HydrophobicContact CB-CG1 4.32Å; R224-V228 WeakPolarHBondContact O-CG2 3.3Å; R224-V228 PolarHBondContact O-N 2.95Å; A225-V228 PolarHBondContact O-N 2.99Å; R226-V228 PolarHBondContact O-N 2.64Å; V228-F232 HydrophobicContact CG1-CD2 4Å; V228-F232 HydrophobicContact CG1-CE2 3.97Å; V228-F232 WeakPolarHBondContact O-CB 3.07Å; V228-F232 WeakPolarHBondContact O-CD2 3.48Å |
| 229 | I | 96.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -45.1 | 171.6 | -68.1 | 156.6 | 0 | 0 | 0 | 110 | A202 L203 V206 A225 R226 E227 L231 F232 S233 | A202-I229 HydrophobicContact CB-CD1 3.96Å; A202-I229 HydrophobicContact CB-CG1 3.65Å; L203-I229 HydrophobicContact CD2-CD1 3.74Å; L203-I229 HydrophobicContact CD2-CG1 4.34Å; L203-I229 HydrophobicContact CG-CD1 4.03Å; L203-I229 HydrophobicContact CG-CG1 4.34Å; V206-I229 HydrophobicContact CG2-CD1 4.08Å; A225-I229 WeakPolarHBondContact O-CD1 3.41Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.17Å; A225-I229 PolarHBondContact O-N 2.89Å; R226-I229 PolarHBondContact O-N 3.37Å; E227-I229 PolarHBondContact O-N 3.1Å; I229-L231 PolarHBondContact O-N 2.61Å; I229-F232 CarbonylContact O-C 3.46Å; I229-F232 WeakPolarHBondContact O-CA 3.28Å; I229-F232 PolarHBondContact O-N 2.75Å; I229-S233 PolarHBondContact O-N 2.99Å |
| 230 | Q | 96.1 | Very high | 95.4 | Very high | 156 Ų | 156 | 61.1 Ų | 61.1 | 73% | 0.729 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.6 | -40.8 | -179.1 | -175.5 | 176.5 | -6.4 | 0 | 0 | 112.5 | R226 E227 F232 S233 | R226-Q230 WeakPolarHBondContact O-CB 3.2Å; R226-Q230 PolarHBondContact O-N 2.81Å; E227-Q230 PolarHBondContact O-N 3.31Å; Q230-F232 PolarHBondContact O-N 2.83Å; Q230-F232 VanDerWaalsContact O-N 3.16Å; Q230-S233 PolarHBondContact O-N 3.36Å |
| 231 | L | 95.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 28% | 0.277 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.6 | 171.9 | 179.2 | 65.6 | 0 | 0 | 0 | 113.3 | L184 L187 E188 E227 I229 | L184-L231 HydrophobicContact CB-CD2 4.22Å; L184-L231 HydrophobicContact CD2-CD2 3.9Å; L184-L231 VanDerWaalsContact O-CD2 3.28Å; L184-L231 WeakPolarHBondContact O-CD2 3.17Å; L187-L231 HydrophobicContact CB-CD2 3.68Å; E188-L231 HydrophobicContact CB-CD1 4.2Å; E188-L231 HydrophobicContact CG-CD1 4.44Å; E227-L231 PolarHBondContact O-N 2.81Å; I229-L231 PolarHBondContact O-N 2.61Å |
| 232 | F | 92.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 0.1 | -170.8 | -77.9 | -32.4 | 0 | 0 | 0 | 115.1 | L187 M190 K195 T198 V199 V228 I229 Q230 | L187-F232 HydrophobicContact CB-CZ 3.97Å; L187-F232 WeakPolarHBondContact O-CE1 3.45Å; M190-F232 HydrophobicContact CE-CE2 4.37Å; M190-F232 HydrophobicContact CE-CZ 3.8Å; K195-F232 HydrophobicContact CB-CE1 4.33Å; K195-F232 HydrophobicContact CB-CZ 4.5Å; K195-F232 HydrophobicContact CD-CB 4.39Å; K195-F232 HydrophobicContact CD-CD1 3.51Å; K195-F232 HydrophobicContact CD-CE1 3.97Å; K195-F232 HydrophobicContact CD-CG 4.06Å; K195-F232 VanDerWaalsContact CE-CD1 3.47Å; K195-F232 WeakPolarHBondContact CE-O 3.35Å; K195-F232 HydrophobicContact CG-CB 4.34Å; K195-F232 HydrophobicContact CG-CD1 3.63Å; K195-F232 HydrophobicContact CG-CD2 4.24Å; K195-F232 HydrophobicContact CG-CE1 3.88Å; K195-F232 HydrophobicContact CG-CE2 4.47Å; K195-F232 HydrophobicContact CG-CG 3.82Å; K195-F232 HydrophobicContact CG-CZ 4.3Å; K195-F232 PolarHBondContact NZ-O 3.25Å; T198-F232 HydrophobicContact CG2-CE2 3.98Å; V199-F232 HydrophobicContact CG2-CB 3.53Å; V199-F232 HydrophobicContact CG2-CD2 3.56Å; V199-F232 HydrophobicContact CG2-CG 3.87Å; V228-F232 HydrophobicContact CG1-CD2 4Å; V228-F232 HydrophobicContact CG1-CE2 3.97Å; V228-F232 WeakPolarHBondContact O-CB 3.07Å; V228-F232 WeakPolarHBondContact O-CD2 3.48Å; I229-F232 CarbonylContact O-C 3.46Å; I229-F232 WeakPolarHBondContact O-CA 3.28Å; I229-F232 PolarHBondContact O-N 2.75Å; Q230-F232 PolarHBondContact O-N 2.83Å; Q230-F232 VanDerWaalsContact O-N 3.16Å |
| 233 | S | 87.1 | Confident | 95.4 | Very high | 152 Ų | 152 | 63.8 Ų | 63.8 | 100% | 1.063 | 33% | 0.325 | S | S | * | . | trans | -70.4 | 0 | 171.7 | -170.1 | 0 | 0 | 0 | 0 | 113.1 | I229 Q230 | I229-S233 PolarHBondContact O-N 2.99Å; Q230-S233 PolarHBondContact O-N 3.36Å |
Retrieved 233 of 233 residues in 81.9 ms
(Link to these results)