| 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 | 50.9 | Low | 44.9 | Very low | 232 Ų | 232 | 185.1 Ų | 185.1 | 100% | 1.143 | 87% | 0.87 | S | S | * | * | 0 | 116.7 | 0 | -62.8 | 171 | 179.3 | 0 | 0 | 107.1 | |||||
| 2 | M | 43.6 | Very low | 44.5 | Very low | 153 Ų | 153 | 177.1 Ų | 177.1 | 75% | 0.754 | 86% | 0.859 | S | S | * | * | cis | -137.2 | 125.2 | -1.7 | -58.6 | -67.2 | -84.6 | 0 | 0 | 108.1 | ||||
| 3 | R | 48.9 | Very low | 43.8 | Very low | 245 Ų | 245 | 177.5 Ų | 177.5 | 93% | 0.925 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -177.7 | 67.1 | 170.5 | -168.6 | -173.7 | -67.5 | 172.7 | -2.4 | 111 | ||
| 4 | R | 50.4 | Low | 43.3 | Very low | 238 Ų | 238 | 177.1 Ų | 177.1 | 90% | 0.898 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -164.3 | 20.5 | 173.8 | -137.8 | -177.1 | -168.4 | -82.3 | -5.9 | 117.5 | ||
| 5 | E | 45.3 | Very low | 43.4 | Very low | 169 Ų | 169 | 179 Ų | 179 | 79% | 0.79 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -133.2 | 11.7 | -167.4 | -65.9 | 176.4 | 166.1 | 0 | 0 | 114.2 | ||
| 6 | E | 45.1 | Very low | 42.8 | Very low | 196 Ų | 196 | 174.4 Ų | 174.4 | 92% | 0.916 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -115.1 | -0.8 | -175.4 | -66.7 | 176.7 | 137.2 | 0 | 0 | 114.5 | ||
| 7 | E | 45.6 | Very low | 42.5 | Very low | 194 Ų | 194 | 176.8 Ų | 176.8 | 91% | 0.907 | 87% | 0.868 | S | S | * | * | S | Bend | trans | -98.3 | -2.3 | -178.5 | -78.7 | -178 | 131.4 | 0 | 0 | 114.6 | ||
| 8 | E | 44.8 | Very low | 41.9 | Very low | 186 Ų | 186 | 170.1 Ų | 170.1 | 87% | 0.869 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -97.6 | -14.7 | -170 | -159 | 161.5 | -170.2 | 0 | 0 | 114.6 | ||
| 9 | E | 42 | Very low | 41.2 | Very low | 181 Ų | 181 | 169.6 Ų | 169.6 | 85% | 0.846 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -90 | -21.7 | -176.5 | -155.3 | 173.7 | 164.9 | 0 | 0 | 114.3 | G11 | E9-G11 VanDerWaalsContact C-N 3.28Å; E9-G11 PolarHBondContact O-N 3.33Å |
| 10 | E | 40 | Very low | 40.8 | Very low | 172 Ų | 172 | 169 Ų | 169 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -17.4 | -176.2 | -147.8 | -179 | -177.2 | 0 | 0 | 113.6 | A12 | E10-A12 PolarHBondContact O-N 3.09Š|
| 11 | G | 37.7 | Very low | 40.2 | Very low | 70 Ų | 70 | 169.1 Ų | 169.1 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -14.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116 | E9 | E9-G11 VanDerWaalsContact C-N 3.28Å; E9-G11 PolarHBondContact O-N 3.33Å |
| 12 | A | 39.3 | Very low | 39.3 | Very low | 89 Ų | 89 | 165 Ų | 165 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -86.4 | -25.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E10 | E10-A12 PolarHBondContact O-N 3.09Š|
| 13 | M | 35.3 | Very low | 38.7 | Very low | 183 Ų | 183 | 166.5 Ų | 166.5 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -103.9 | 8.5 | -166.2 | -157 | 166 | 178.6 | 0 | 0 | 115.5 | K15 | M13-K15 PolarHBondContact O-N 2.66Š|
| 14 | M | 36.8 | Very low | 37.8 | Very low | 172 Ų | 172 | 162.1 Ų | 162.1 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -94.1 | 41.6 | 175.2 | -66.2 | -158.9 | -175.9 | 0 | 0 | 114.1 | ||
| 15 | K | 44.7 | Very low | 36.9 | Very low | 205 Ų | 205 | 160.2 Ų | 160.2 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -148.7 | 48.1 | -179.3 | -142.4 | 171.1 | -172.5 | 175.8 | 0 | 117.5 | M13 | M13-K15 PolarHBondContact O-N 2.66Š| ||
| 16 | A | 33.8 | Very low | 36.2 | Very low | 105 Ų | 105 | 160.6 Ų | 160.6 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -143 | 94.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 17 | K | 37.8 | Very low | 35.8 | Very low | 216 Ų | 216 | 160.2 Ų | 160.2 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -147.9 | 140.1 | 170.3 | -170.4 | 177 | -178.4 | -178.6 | 0 | 108.8 | ||||
| 18 | G | 31.8 | Very low | 34.9 | Very low | 55 Ų | 55 | 158.2 Ų | 158.2 | 57% | 0.567 | 82% | 0.816 | S | S | * | * | trans | 99.9 | 130.5 | -160.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | D | 29.6 | Very low | 34.2 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | cis | -147.9 | -169.3 | 3 | -79.7 | -54.4 | 0 | 0 | 0 | 110.9 | ||||
| 20 | L | 33.2 | Very low | 33.6 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | 78 | 137.2 | 172.3 | -115.9 | 66.3 | 0 | 0 | 0 | 117.6 | ||||
| 21 | E | 28.7 | Very low | 33 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | cis | -161 | 165.8 | -40.7 | -169 | 163 | 138.6 | 0 | 0 | 106.7 | ||||
| 22 | M | 30.9 | Very low | 32.6 | Very low | 146 Ų | 146 | 152.9 Ų | 152.9 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | -86.2 | 132.5 | -177.5 | -169.8 | 179.6 | 85.5 | 0 | 0 | 113 | ||||
| 23 | K | 30.7 | Very low | 32.2 | Very low | 184 Ų | 184 | 157.1 Ų | 157.1 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -167.5 | 98.4 | 149.3 | -107.2 | 154.3 | -174.4 | 169.1 | 0 | 108.2 | ||||
| 24 | E | 29.6 | Very low | 32.1 | Very low | 152 Ų | 152 | 155 Ų | 155 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | 76.5 | 107.2 | 69.6 | -168.4 | 164.9 | -140.4 | 0 | 0 | 110.5 | |||||
| 25 | E | 32.4 | Very low | 32 | Very low | 199 Ų | 199 | 153.6 Ų | 153.6 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -94.1 | 132.3 | 176 | -58.3 | 172.4 | 139.3 | 0 | 0 | 107.4 | ||||
| 26 | E | 30.5 | Very low | 31.3 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -126 | 114.4 | 170.2 | -164.9 | 173.2 | -168 | 0 | 0 | 110 | I28 | E26-I28 HydrophobicContact CG-CG2 4.48Š| ||
| 27 | E | 35.8 | Very low | 31.7 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 121.6 | 173.4 | 175.3 | -176.6 | -148.7 | 0 | 0 | 109 | ||||
| 28 | I | 28.1 | Very low | 31.6 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -130.6 | 140 | 165.9 | 57.5 | 169.1 | 0 | 0 | 0 | 111.5 | E26 | E26-I28 HydrophobicContact CG-CG2 4.48Š| ||
| 29 | S | 29.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 151.2 Ų | 151.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -112.8 | 161.2 | -168.8 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 30 | E | 29.1 | Very low | 32.4 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | 37.2 | 134.8 | 155.7 | -102.5 | -174.4 | 128.8 | 0 | 0 | 123.2 | ||||
| 31 | T | 28.3 | Very low | 32.7 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 76.7 | 106.5 | 147.3 | -50 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 32 | G | 29.2 | Very low | 33.4 | Very low | 79 Ų | 79 | 144 Ų | 144 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -164.3 | 105.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 33 | E | 29.6 | Very low | 33.8 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -96.2 | 167.9 | -173.6 | -143.2 | -168.1 | 134.8 | 0 | 0 | 113.2 | ||||
| 34 | L | 34.8 | Very low | 34.1 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | trans | 86.5 | 129.5 | 163.1 | -104.7 | 77.8 | 0 | 0 | 0 | 121.3 | ||||
| 35 | V | 32.9 | Very low | 34.6 | Very low | 142 Ų | 142 | 138 Ų | 138 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 73.4 | 90.1 | 157.1 | -167.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 36 | G | 31.7 | Very low | 34.9 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | -143.1 | 145 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 37 | P | 40.7 | Very low | 35.2 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -78.1 | 139.1 | -160.7 | 28.6 | -35.2 | 0 | 0 | 0 | 115.1 | V39 | P37-V39 PolarHBondContact O-N 3.24Š| ||
| 38 | F | 37.5 | Very low | 35.4 | Very low | 217 Ų | 217 | 128.5 Ų | 128.5 | 95% | 0.952 | 77% | 0.766 | S | S | * | * | trans | -61.4 | 98.4 | 166.8 | -89.1 | -105.1 | 0 | 0 | 0 | 111.2 | ||||
| 39 | V | 36.8 | Very low | 35.9 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -90.7 | 99.1 | 161.1 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | P37 A41 | P37-V39 PolarHBondContact O-N 3.24Å; V39-A41 PolarHBondContact O-N 2.85Å | ||
| 40 | S | 39.7 | Very low | 36.6 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -59.3 | 119.3 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | M42 | S40-M42 PolarHBondContact O-N 3.48Š| ||
| 41 | A | 40.1 | Very low | 37 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -68.4 | 97.1 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | V39 | V39-A41 PolarHBondContact O-N 2.85Š| ||
| 42 | M | 42.9 | Very low | 37.5 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | trans | -58.8 | 124.7 | 172.3 | -70.9 | -72.1 | 168.8 | 0 | 0 | 109.1 | S40 T44 | S40-M42 PolarHBondContact O-N 3.48Å; M42-T44 PolarHBondContact O-N 3.27Å | ||
| 43 | P | 39.9 | Very low | 38.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -67.5 | 110.5 | -179.1 | 26 | -33.1 | 0 | 0 | 0 | 109.9 | ||||
| 44 | T | 37.8 | Very low | 39.1 | Very low | 124 Ų | 124 | 132 Ų | 132 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -54.3 | 123.4 | 173.4 | -50.4 | 0 | 0 | 0 | 0 | 109.4 | M42 T46 | M42-T44 PolarHBondContact O-N 3.27Å; T44-T46 PolarHBondContact O-N 3.45Å | ||
| 45 | P | 38.6 | Very low | 40.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -67.8 | 108.2 | -176.6 | 26.2 | -33.4 | 0 | 0 | 0 | 110.2 | ||||
| 46 | T | 39.5 | Very low | 42.1 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 56% | 0.564 | 71% | 0.71 | S | S | * | * | trans | -61.2 | 130.7 | 175.6 | 29.9 | 0 | 0 | 0 | 0 | 110.8 | T44 H48 | T44-T46 PolarHBondContact O-N 3.45Å; T46-H48 PolarHBondContact O-CD2 3.36Å; T46-H48 PolarHBondContact O-N 2.77Å; T46-H48 PolarHBondContact OG1-CE1 2.91Å; T46-H48 PolarHBondContact OG1-NE2 3.15Å | ||
| 47 | P | 36.2 | Very low | 44 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | trans | -72 | 94.3 | 179.7 | 28.1 | -33.8 | 0 | 0 | 0 | 110.3 | ||||
| 48 | H | 41.2 | Very low | 45.7 | Very low | 139 Ų | 139 | 119 Ų | 119 | 64% | 0.644 | 65% | 0.654 | S | S | * | * | trans | -78.7 | 126.5 | -172.6 | -77 | -73.9 | 0 | 0 | 0 | 113.8 | T46 | T46-H48 PolarHBondContact O-CD2 3.36Å; T46-H48 PolarHBondContact O-N 2.77Å; T46-H48 PolarHBondContact OG1-CE1 2.91Å; T46-H48 PolarHBondContact OG1-NE2 3.15Å | ||
| 49 | N | 38.2 | Very low | 47.7 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | trans | 73.2 | 91.8 | 149.6 | -55.3 | -22.1 | 0 | 0 | 0 | 118.3 | G51 | N49-G51 PolarHBondContact O-N 2.74Š| ||
| 50 | K | 44.4 | Very low | 49.7 | Very low | 224 Ų | 224 | 110.1 Ų | 110.1 | 97% | 0.974 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 114.3 | 148.4 | -53.8 | 173.2 | -174 | 178.2 | 0 | 108.4 | ||
| 51 | G | 37.9 | Very low | 51.7 | Low | 78 Ų | 78 | 105.9 Ų | 105.9 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.5 | -29.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | N49 | N49-G51 PolarHBondContact O-N 2.74Š|
| 52 | T | 38.8 | Very low | 53.6 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 56% | 0.564 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -125.7 | 126.9 | 177.2 | -54 | 0 | 0 | 0 | 0 | 109.5 | F54 | T52-F54 HydrophobicContact CG2-CD2 4.2Å; T52-F54 HydrophobicContact CG2-CE2 3.87Å; T52-F54 HydrophobicContact CG2-CZ 4.1Å; T52-F54 WeakPolarHBondContact O-CD2 3.39Å; T52-F54 PolarHBondContact O-N 3.18Å |
| 53 | R | 44.5 | Very low | 55.2 | Low | 250 Ų | 250 | 101.8 Ų | 101.8 | 94% | 0.943 | 54% | 0.54 | S | S | * | . | trans | -76 | 66.5 | 179.8 | -65.4 | -174.5 | -175.9 | 169.7 | 1.3 | 111.6 | S55 | R53-S55 PolarHBondContact O-N 2.89Š| ||
| 54 | F | 46.8 | Very low | 56.3 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | trans | -55.8 | 124.3 | 159.1 | -65.4 | -75.8 | 0 | 0 | 0 | 107.6 | T52 E56 | T52-F54 HydrophobicContact CG2-CD2 4.2Å; T52-F54 HydrophobicContact CG2-CE2 3.87Å; T52-F54 HydrophobicContact CG2-CZ 4.1Å; T52-F54 WeakPolarHBondContact O-CD2 3.39Å; T52-F54 PolarHBondContact O-N 3.18Å; F54-E56 PolarHBondContact O-N 3.35Å | ||
| 55 | S | 62.4 | Low | 57.3 | Low | 50 Ų | 50 | 96.7 Ų | 96.7 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | trans | -69.9 | 126.5 | -174.3 | -37.6 | 0 | 0 | 0 | 0 | 110.4 | R53 A57 W58 T95 | R53-S55 PolarHBondContact O-N 2.89Å; S55-A57 PolarHBondContact O-N 3.44Å; S55-W58 WeakPolarHBondContact O-CB 3.49Å; S55-W58 VanDerWaalsContact O-CD1 3.23Å; S55-W58 PolarHBondContact O-N 3.25Å; S55-T95 WeakPolarHBondContact CB-OG1 3.38Å; S55-T95 PolarHBondContact OG-OG1 3.31Å | ||
| 56 | E | 69.3 | Low | 58 | Low | 79 Ų | 79 | 94.9 Ų | 94.9 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -24.6 | -42.2 | 167.8 | -172.7 | 178.3 | -92.7 | 0 | 0 | 115.9 | F54 W58 E59 W99 H115 | F54-E56 PolarHBondContact O-N 3.35Å; E56-W58 PolarHBondContact O-N 3.32Å; E56-E59 WeakPolarHBondContact O-CB 3.39Å; E56-E59 WeakPolarHBondContact O-CG 3.42Å; E56-E59 PolarHBondContact O-N 2.9Å; E56-W99 HydrophobicContact CB-CZ2 4.39Å; E56-W99 VanDerWaalsContact OE2-CH2 3.24Å; E56-W99 WeakPolarHBondContact OE2-CH2 3.49Å; E56-W99 WeakPolarHBondContact OE2-CZ2 3.45Å; E56-H115 IonicContact OE1-CD2 3.2Å; E56-H115 IonicContact OE1-NE2 3.86Å; E56-H115 IonicContact OE2-CD2 3.73Å; E56-H115 PolarHBondContact OE2-CD2 3.19Å |
| 57 | A | 70.4 | Confident | 58.7 | Low | 0 Ų | 0 | 100.7 Ų | 100.7 | 0% | 0 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -48.3 | -29.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | S55 E59 Y60 F61 T95 L98 W99 | S55-A57 PolarHBondContact O-N 3.44Å; A57-E59 PolarHBondContact O-N 3.35Å; A57-Y60 PolarHBondContact O-N 3.47Å; A57-F61 VanDerWaalsContact O-CD2 3.26Å; A57-F61 WeakPolarHBondContact O-CD2 3.25Å; A57-T95 HydrophobicContact CB-CG2 4.4Å; A57-L98 HydrophobicContact CB-CB 4.27Å; A57-W99 HydrophobicContact CB-CD2 4.26Å; A57-W99 HydrophobicContact CB-CG 4.4Å; A57-W99 HydrophobicContact CB-CZ2 4.26Å |
| 58 | W | 75.8 | Confident | 59.2 | Low | 62 Ų | 62 | 99.5 Ų | 99.5 | 24% | 0.235 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -66.2 | -19.9 | 178.5 | -75.5 | 113.3 | 0 | 0 | 0 | 114.3 | S55 E56 Y60 F61 L63 A76 L98 | S55-W58 WeakPolarHBondContact O-CB 3.49Å; S55-W58 VanDerWaalsContact O-CD1 3.23Å; S55-W58 PolarHBondContact O-N 3.25Å; E56-W58 PolarHBondContact O-N 3.32Å; W58-Y60 PolarHBondContact O-N 2.91Å; W58-F61 HydrophobicContact CE3-CB 4.48Å; W58-F61 PolarHBondContact O-N 2.9Å; W58-L63 HydrophobicContact CH2-CD2 3.76Å; W58-L63 HydrophobicContact CH2-CG 4.43Å; W58-L63 HydrophobicContact CZ3-CD2 3.76Å; W58-L63 HydrophobicContact CZ3-CG 4.06Å; W58-A76 HydrophobicContact CH2-CB 4.46Å; W58-A76 HydrophobicContact CZ3-CB 4Å; W58-L98 HydrophobicContact CD2-CD1 4.23Å; W58-L98 HydrophobicContact CE3-CD1 4.23Å; W58-L98 HydrophobicContact CH2-CD1 4.27Å; W58-L98 HydrophobicContact CZ2-CD1 4.27Å; W58-L98 HydrophobicContact CZ3-CD1 4.25Å |
| 59 | E | 79.6 | Confident | 59.9 | Low | 126 Ų | 126 | 96.7 Ų | 96.7 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -63.9 | -34.1 | 174.4 | -63.8 | -178.2 | -177 | 0 | 0 | 111.6 | E56 A57 F61 R79 | E56-E59 WeakPolarHBondContact O-CB 3.39Å; E56-E59 WeakPolarHBondContact O-CG 3.42Å; E56-E59 PolarHBondContact O-N 2.9Å; A57-E59 PolarHBondContact O-N 3.35Å; E59-F61 VanDerWaalsContact C-N 3.31Å; E59-F61 PolarHBondContact O-N 3.07Å; E59-R79 VanDerWaalsContact O-CD 3.31Å; E59-R79 WeakPolarHBondContact O-CD 3.33Å; E59-R79 PolarHBondContact O-NE 3.46Å; E59-R79 PolarHBondContact O-NH1 3.44Å; E59-R79 PolarHBondContact O-NH2 3.33Å |
| 60 | Y | 78.9 | Confident | 60.6 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 15% | 0.145 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -84.5 | 1.2 | -179.7 | -56.6 | -86.4 | 0 | 0 | 0 | 114 | A57 W58 R79 L80 L102 H115 | A57-Y60 PolarHBondContact O-N 3.47Å; W58-Y60 PolarHBondContact O-N 2.91Å; Y60-R79 PolarHBondContact O-N 3.17Å; Y60-L80 HydrophobicContact CD1-CD1 3.95Å; Y60-L80 HydrophobicContact CD1-CG 4.42Å; Y60-L102 HydrophobicContact CD1-CD2 4.47Å; Y60-L102 HydrophobicContact CD2-CD1 3.95Å; Y60-L102 HydrophobicContact CG-CD1 4.06Å; Y60-L102 HydrophobicContact CG-CD2 4.14Å; Y60-H115 PolarHBondContact OH-CE1 3.04Å; Y60-H115 VanDerWaalsContact OH-CE1 3.26Å; Y60-H115 PolarHBondContact OH-ND1 3.46Å |
| 61 | F | 81.8 | Confident | 61.1 | Low | 1 Ų | 1 | 91 Ų | 91 | 0% | 0.004 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 167.3 | -176.6 | -69.8 | -104.4 | 0 | 0 | 0 | 112 | A57 W58 E59 A76 T77 C78 R79 V85 L98 H101 L102 | A57-F61 VanDerWaalsContact O-CD2 3.26Å; A57-F61 WeakPolarHBondContact O-CD2 3.25Å; W58-F61 HydrophobicContact CE3-CB 4.48Å; W58-F61 PolarHBondContact O-N 2.9Å; E59-F61 VanDerWaalsContact C-N 3.31Å; E59-F61 PolarHBondContact O-N 3.07Å; F61-A76 HydrophobicContact CB-CB 4.34Å; F61-A76 HydrophobicContact CD1-CB 3.98Å; F61-T77 CarbonylContact C-O 3.06Å; F61-T77 WeakPolarHBondContact CA-O 3.42Å; F61-T77 WeakPolarHBondContact CB-O 3.3Å; F61-T77 WeakPolarHBondContact CD1-O 3.38Å; F61-C78 VanDerWaalsContact CD1-CA 3.5Å; F61-C78 HydrophobicContact CD1-CB 3.93Å; F61-C78 HydrophobicContact CE1-CB 3.57Å; F61-C78 HydrophobicContact CZ-CB 3.98Å; F61-R79 VanDerWaalsContact O-CZ 3.29Å; F61-R79 PolarHBondContact O-NE 2.94Å; F61-R79 PolarHBondContact O-NH2 2.96Å; F61-V85 HydrophobicContact CE1-CB 4.3Å; F61-V85 HydrophobicContact CE1-CG2 3.83Å; F61-V85 HydrophobicContact CZ-CG2 4.48Å; F61-L98 HydrophobicContact CD1-CD2 3.86Å; F61-L98 HydrophobicContact CD2-CB 4.21Å; F61-L98 HydrophobicContact CD2-CD1 4.37Å; F61-L98 HydrophobicContact CE1-CB 4.42Å; F61-L98 HydrophobicContact CE1-CD2 3.72Å; F61-L98 HydrophobicContact CE2-CB 3.7Å; F61-L98 HydrophobicContact CE2-CD2 4.4Å; F61-L98 HydrophobicContact CE2-CG 4.45Å; F61-L98 HydrophobicContact CG-CD1 4.45Å; F61-L98 HydrophobicContact CG-CD2 4.28Å; F61-L98 HydrophobicContact CZ-CB 3.81Å; F61-L98 HydrophobicContact CZ-CD2 4Å; F61-L98 HydrophobicContact CZ-CG 4.44Å; F61-H101 HydrophobicContact CZ-CB 4.33Å; F61-H101 AromaticContact CZ-CD2 3.66Å; F61-L102 HydrophobicContact CE2-CD1 4.06Å; F61-L102 HydrophobicContact CE2-CD2 3.95Å; F61-L102 HydrophobicContact CE2-CG 3.84Å; F61-L102 HydrophobicContact CZ-CD2 4.45Å; F61-L102 HydrophobicContact CZ-CG 4.35Å |
| 62 | H | 80.8 | Confident | 62 | Low | 89 Ų | 89 | 91.1 Ų | 91.1 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.8 | 159.4 | 57.7 | -117.8 | 0 | 0 | 0 | 109.6 | A76 T77 | H62-A76 CarbonylContact O-C 3.5Å; H62-A76 WeakPolarHBondContact O-CA 3.35Å; H62-T77 PolarHBondContact N-O 2.82Å; H62-T77 VanDerWaalsContact NE2-CB 3.29Å; H62-T77 WeakPolarHBondContact NE2-CB 3.38Å; H62-T77 PolarHBondContact NE2-OG1 3.46Å; H62-T77 PolarHBondContact O-N 3.39Å |
| 63 | L | 76.9 | Confident | 63 | Low | 74 Ų | 74 | 90.5 Ų | 90.5 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 135 | 169.3 | -69.5 | 170.2 | 0 | 0 | 0 | 108.9 | W58 N73 | W58-L63 HydrophobicContact CH2-CD2 3.76Å; W58-L63 HydrophobicContact CH2-CG 4.43Å; W58-L63 HydrophobicContact CZ3-CD2 3.76Å; W58-L63 HydrophobicContact CZ3-CG 4.06Å; L63-N73 WeakPolarHBondContact CD1-OD1 3.32Å |
| 64 | A | 63.3 | Low | 64.1 | Low | 24 Ų | 24 | 80.3 Ų | 80.3 | 20% | 0.198 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 135.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y75 | A64-Y75 PolarHBondContact N-O 3.04Å; A64-Y75 VanDerWaalsContact N-O 3.11Å |
| 65 | P | 58 | Low | 65.3 | Low | 112 Ų | 112 | 78.1 Ų | 78.1 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 142.1 | 174.4 | -26.6 | 35 | 0 | 0 | 0 | 111.9 | R67 | P65-R67 PolarHBondContact O-N 2.86Š|
| 66 | A | 53.8 | Low | 66.2 | Low | 73 Ų | 73 | 75.8 Ų | 75.8 | 60% | 0.603 | 42% | 0.415 | S | S | * | . | trans | -63.4 | 95.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | P72 | A66-P72 HydrophobicContact CB-CB 4.05Š| ||
| 67 | R | 53.9 | Low | 66.8 | Low | 214 Ų | 214 | 72.9 Ų | 72.9 | 81% | 0.808 | 40% | 0.403 | S | S | * | . | trans | -74.1 | 131.4 | 167.7 | -70.5 | -175.2 | 176.6 | -102.6 | -0.7 | 109 | P65 G69 H70 | P65-R67 PolarHBondContact O-N 2.86Å; R67-G69 PolarHBondContact O-N 2.89Å; R67-H70 PolarHBondContact O-N 3.08Å; R67-H70 VanDerWaalsContact O-N 3.12Å | ||
| 68 | A | 47.1 | Very low | 67.6 | Low | 110 Ų | 110 | 72.9 Ų | 72.9 | 91% | 0.909 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 126.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 69 | G | 54.8 | Low | 68.1 | Low | 80 Ų | 80 | 77 Ų | 77 | 83% | 0.825 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103 | -22.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R67 | R67-G69 PolarHBondContact O-N 2.89Š|
| 70 | H | 53.6 | Low | 68.2 | Low | 119 Ų | 119 | 74.7 Ų | 74.7 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -108 | 142.3 | 175.3 | -73.5 | -79.1 | 0 | 0 | 0 | 112.3 | R67 | R67-H70 PolarHBondContact O-N 3.08Å; R67-H70 VanDerWaalsContact O-N 3.12Å |
| 71 | H | 55.6 | Low | 68.4 | Low | 101 Ų | 101 | 75.1 Ų | 75.1 | 47% | 0.468 | 42% | 0.417 | S | S | . | . | trans | -82.4 | 135.2 | -173.2 | 45 | -67.4 | 0 | 0 | 0 | 110.2 | N73 Q74 | H71-N73 PolarHBondContact O-N 2.82Å; H71-Q74 VanDerWaalsContact CB-CD 3.45Å; H71-Q74 HydrophobicContact CB-CG 4.35Å; H71-Q74 WeakPolarHBondContact CD2-CG 3.29Å; H71-Q74 PolarHBondContact CD2-NE2 3.04Å; H71-Q74 PolarHBondContact CD2-OE1 3.02Å; H71-Q74 VanDerWaalsContact CE1-CG 3.49Å; H71-Q74 WeakPolarHBondContact CE1-CG 3.38Å; H71-Q74 PolarHBondContact CE1-NE2 3.08Å; H71-Q74 PolarHBondContact CE1-OE1 2.82Å; H71-Q74 PolarHBondContact ND1-NE2 2.69Å; H71-Q74 PolarHBondContact ND1-OE1 3.13Å; H71-Q74 WeakPolarHBondContact NE2-CG 3.2Å; H71-Q74 PolarHBondContact NE2-NE2 3.46Å; H71-Q74 PolarHBondContact NE2-OE1 3.38Å; H71-Q74 WeakPolarHBondContact O-CB 3.33Å; H71-Q74 VanDerWaalsContact O-CG 3.25Å; H71-Q74 WeakPolarHBondContact O-CG 3.29Å; H71-Q74 PolarHBondContact O-N 3.16Å; H71-Q74 PolarHBondContact O-OE1 3.01Å | ||
| 72 | P | 56.8 | Low | 68.3 | Low | 79 Ų | 79 | 77.5 Ų | 77.5 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -6.5 | -149.7 | 23.1 | -36.4 | 0 | 0 | 0 | 117.1 | A66 | A66-P72 HydrophobicContact CB-CB 4.05Š|
| 73 | N | 59.8 | Low | 68.3 | Low | 79 Ų | 79 | 80.1 Ų | 80.1 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 9.7 | -174 | -68.9 | -52.1 | 0 | 0 | 0 | 113.9 | L63 H71 R87 | L63-N73 WeakPolarHBondContact CD1-OD1 3.32Å; H71-N73 PolarHBondContact O-N 2.82Å; N73-R87 WeakPolarHBondContact O-CD 3.16Å; N73-R87 PolarHBondContact O-NH1 2.78Å |
| 74 | Q | 66.3 | Low | 68.5 | Low | 36 Ų | 36 | 82.5 Ų | 82.5 | 17% | 0.168 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -86.4 | -15.4 | -169.8 | -69.9 | 169.2 | -14 | 0 | 0 | 114.6 | H71 R87 | H71-Q74 VanDerWaalsContact CB-CD 3.45Å; H71-Q74 HydrophobicContact CB-CG 4.35Å; H71-Q74 WeakPolarHBondContact CD2-CG 3.29Å; H71-Q74 PolarHBondContact CD2-NE2 3.04Å; H71-Q74 PolarHBondContact CD2-OE1 3.02Å; H71-Q74 VanDerWaalsContact CE1-CG 3.49Å; H71-Q74 WeakPolarHBondContact CE1-CG 3.38Å; H71-Q74 PolarHBondContact CE1-NE2 3.08Å; H71-Q74 PolarHBondContact CE1-OE1 2.82Å; H71-Q74 PolarHBondContact ND1-NE2 2.69Å; H71-Q74 PolarHBondContact ND1-OE1 3.13Å; H71-Q74 WeakPolarHBondContact NE2-CG 3.2Å; H71-Q74 PolarHBondContact NE2-NE2 3.46Å; H71-Q74 PolarHBondContact NE2-OE1 3.38Å; H71-Q74 WeakPolarHBondContact O-CB 3.33Å; H71-Q74 VanDerWaalsContact O-CG 3.25Å; H71-Q74 WeakPolarHBondContact O-CG 3.29Å; H71-Q74 PolarHBondContact O-N 3.16Å; H71-Q74 PolarHBondContact O-OE1 3.01Å; Q74-R87 PolarHBondContact O-N 3.38Å |
| 75 | Y | 71.6 | Confident | 69.1 | Low | 96 Ų | 96 | 82.3 Ų | 82.3 | 38% | 0.376 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 134.4 | 179.7 | -66.3 | -87.3 | 0 | 0 | 0 | 111.6 | A64 Q84 | A64-Y75 PolarHBondContact N-O 3.04Å; A64-Y75 VanDerWaalsContact N-O 3.11Å; Y75-Q84 HydrophobicContact CD1-CB 4.39Å |
| 76 | A | 82.2 | Confident | 69.8 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | W58 F61 H62 V85 L98 | W58-A76 HydrophobicContact CH2-CB 4.46Å; W58-A76 HydrophobicContact CZ3-CB 4Å; F61-A76 HydrophobicContact CB-CB 4.34Å; F61-A76 HydrophobicContact CD1-CB 3.98Å; H62-A76 CarbonylContact O-C 3.5Å; H62-A76 WeakPolarHBondContact O-CA 3.35Å; A76-V85 PolarHBondContact N-O 2.87Å; A76-V85 PolarHBondContact O-N 2.99Å; A76-L98 HydrophobicContact CB-CD2 3.93Å |
| 77 | T | 82.2 | Confident | 70.6 | Confident | 19 Ų | 19 | 78.7 Ų | 78.7 | 12% | 0.117 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.6 | 177 | -43.4 | 0 | 0 | 0 | 0 | 109.5 | F61 H62 G82 | F61-T77 CarbonylContact C-O 3.06Å; F61-T77 WeakPolarHBondContact CA-O 3.42Å; F61-T77 WeakPolarHBondContact CB-O 3.3Å; F61-T77 WeakPolarHBondContact CD1-O 3.38Å; H62-T77 PolarHBondContact N-O 2.82Å; H62-T77 VanDerWaalsContact NE2-CB 3.29Å; H62-T77 WeakPolarHBondContact NE2-CB 3.38Å; H62-T77 PolarHBondContact NE2-OG1 3.46Å; H62-T77 PolarHBondContact O-N 3.39Å; T77-G82 WeakPolarHBondContact CG2-O 3.46Å |
| 78 | C | 86.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 130.4 | 171.8 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | F61 L80 G82 R83 H101 | F61-C78 VanDerWaalsContact CD1-CA 3.5Å; F61-C78 HydrophobicContact CD1-CB 3.93Å; F61-C78 HydrophobicContact CE1-CB 3.57Å; F61-C78 HydrophobicContact CZ-CB 3.98Å; C78-L80 VanDerWaalsContact C-N 3.25Å; C78-L80 PolarHBondContact O-N 2.83Å; C78-G82 VanDerWaalsContact O-CA 3.29Å; C78-G82 WeakPolarHBondContact O-CA 3.29Å; C78-G82 PolarHBondContact O-N 3.28Å; C78-R83 PolarHBondContact N-O 3.11Å; C78-H101 WeakPolarHBondContact CB-NE2 2.71Å |
| 79 | R | 85.8 | Confident | 71.1 | Confident | 149 Ų | 149 | 70 Ų | 70 | 56% | 0.562 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -24.6 | 177.6 | -60.6 | -177.1 | -164.5 | -171.8 | 12.5 | 112.7 | E59 Y60 F61 | E59-R79 VanDerWaalsContact O-CD 3.31Å; E59-R79 WeakPolarHBondContact O-CD 3.33Å; E59-R79 PolarHBondContact O-NE 3.46Å; E59-R79 PolarHBondContact O-NH1 3.44Å; E59-R79 PolarHBondContact O-NH2 3.33Å; Y60-R79 PolarHBondContact O-N 3.17Å; F61-R79 VanDerWaalsContact O-CZ 3.29Å; F61-R79 PolarHBondContact O-NE 2.94Å; F61-R79 PolarHBondContact O-NH2 2.96Å |
| 80 | L | 81.6 | Confident | 71.1 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 40% | 0.398 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -18.7 | -175.5 | -57.2 | 178.9 | 0 | 0 | 0 | 114.3 | Y60 C78 L102 H106 E109 | Y60-L80 HydrophobicContact CD1-CD1 3.95Å; Y60-L80 HydrophobicContact CD1-CG 4.42Å; C78-L80 VanDerWaalsContact C-N 3.25Å; C78-L80 PolarHBondContact O-N 2.83Å; L80-L102 HydrophobicContact CD1-CD2 4.15Å; L80-H106 WeakPolarHBondContact CB-CE1 3.47Å; L80-H106 HydrophobicContact CD1-CB 3.74Å; L80-H106 PolarHBondContact O-CE1 3.03Å; L80-E109 HydrophobicContact CD1-CB 4.43Å |
| 81 | C | 83.3 | Confident | 71.1 | Confident | 46 Ų | 46 | 68 Ų | 68 | 31% | 0.311 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | 3.7 | 177.5 | 66 | 0 | 0 | 0 | 0 | 115.9 | R83 H101 H106 | C81-R83 HydrophobicContact CB-CG 4.41Å; C81-R83 PolarHBondContact O-N 2.83Å; C81-H101 VanDerWaalsContact SG-CE1 3.58Å; C81-H101 PolarHBondContact SG-NE2 3.07Å; C81-H106 WeakPolarHBondContact CB-NE2 3.43Å; C81-H106 PolarHBondContact SG-NE2 3.04Å |
| 82 | G | 80.1 | Confident | 70.9 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | trans | 67.6 | 0.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T77 C78 | T77-G82 WeakPolarHBondContact CG2-O 3.46Å; C78-G82 VanDerWaalsContact O-CA 3.29Å; C78-G82 WeakPolarHBondContact O-CA 3.29Å; C78-G82 PolarHBondContact O-N 3.28Å | ||
| 83 | R | 80.8 | Confident | 70.8 | Confident | 144 Ų | 144 | 69.6 Ų | 69.6 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | trans | -75.6 | 135 | -179 | -63.7 | -178.6 | -177.7 | -169.7 | 1.3 | 110.7 | C78 C81 | C78-R83 PolarHBondContact N-O 3.11Å; C81-R83 HydrophobicContact CB-CG 4.41Å; C81-R83 PolarHBondContact O-N 2.83Å | ||
| 84 | Q | 80.6 | Confident | 70.8 | Confident | 125 Ų | 125 | 67.6 Ų | 67.6 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 130.5 | 172.7 | -69.9 | 176.3 | 75.7 | 0 | 0 | 110.4 | Y75 | Y75-Q84 HydrophobicContact CD1-CB 4.39Å |
| 85 | V | 77.2 | Confident | 70.9 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 12% | 0.121 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.4 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 108 | F61 A76 A97 L98 H101 | F61-V85 HydrophobicContact CE1-CB 4.3Å; F61-V85 HydrophobicContact CE1-CG2 3.83Å; F61-V85 HydrophobicContact CZ-CG2 4.48Å; A76-V85 PolarHBondContact N-O 2.87Å; A76-V85 PolarHBondContact O-N 2.99Å; V85-A97 HydrophobicContact CG1-CB 4.1Å; V85-L98 HydrophobicContact CB-CD2 4.19Å; V85-L98 HydrophobicContact CG1-CD2 4.11Å; V85-H101 HydrophobicContact CG2-CB 3.9Å |
| 86 | S | 72.4 | Confident | 70.9 | Confident | 77 Ų | 77 | 67 Ų | 67 | 54% | 0.538 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 143.6 | 178 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 87 | R | 70.4 | Confident | 70.7 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 12% | 0.121 | 41% | 0.409 | C | S | . | . | trans | -114.1 | 139.1 | 169.4 | -59.2 | -174.7 | 66.4 | -140.8 | 2.3 | 107.9 | N73 Q74 V91 V93 | N73-R87 WeakPolarHBondContact O-CD 3.16Å; N73-R87 PolarHBondContact O-NH1 2.78Å; Q74-R87 PolarHBondContact O-N 3.38Å; R87-V91 PolarHBondContact NH2-O 3.28Å; R87-V93 PolarHBondContact NH2-O 3.37Å | ||
| 88 | G | 59.2 | Low | 70.7 | Confident | 32 Ų | 32 | 68 Ų | 68 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | trans | -64.1 | 160.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G90 V93 | G88-G90 PolarHBondContact O-N 3.12Å; G88-V93 WeakPolarHBondContact O-CG2 3.47Å | ||
| 89 | P | 52.9 | Low | 70.4 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 71% | 0.708 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -63.6 | 99.6 | 176.6 | 25.5 | -33.9 | 0 | 0 | 0 | 111.1 | ||
| 90 | G | 53.9 | Low | 70.3 | Confident | 40 Ų | 40 | 70 Ų | 70 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 163.7 | 138.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G88 N92 V93 | G88-G90 PolarHBondContact O-N 3.12Å; G90-N92 PolarHBondContact O-N 2.73Å; G90-V93 PolarHBondContact O-N 2.37Å |
| 91 | V | 52.9 | Low | 70.4 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 72% | 0.715 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -43 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | R87 | R87-V91 PolarHBondContact NH2-O 3.28Š|
| 92 | N | 53 | Low | 70.5 | Confident | 152 Ų | 152 | 65.3 Ų | 65.3 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 24 | -175.2 | -64.1 | -34.3 | 0 | 0 | 0 | 114.2 | G90 G94 | G90-N92 PolarHBondContact O-N 2.73Å; N92-G94 PolarHBondContact O-N 3.23Å |
| 93 | V | 54.7 | Low | 70.5 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | trans | -65.1 | 108.2 | 162.9 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | R87 G88 G90 | R87-V93 PolarHBondContact NH2-O 3.37Å; G88-V93 WeakPolarHBondContact O-CG2 3.47Å; G90-V93 PolarHBondContact O-N 2.37Å | ||
| 94 | G | 59.9 | Low | 70.6 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -67.3 | 163.9 | -156.1 | 0 | 0 | 0 | 0 | 0 | 115 | N92 T96 | N92-G94 PolarHBondContact O-N 3.23Å; G94-T96 PolarHBondContact O-N 2.18Å | ||
| 95 | T | 67.5 | Low | 70.6 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 13% | 0.129 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 3.8 | 179.2 | 51 | 0 | 0 | 0 | 0 | 114 | S55 A57 A97 L98 W99 | S55-T95 WeakPolarHBondContact CB-OG1 3.38Å; S55-T95 PolarHBondContact OG-OG1 3.31Å; A57-T95 HydrophobicContact CB-CG2 4.4Å; T95-A97 VanDerWaalsContact C-N 3.26Å; T95-A97 PolarHBondContact O-N 2.17Å; T95-L98 HydrophobicContact CG2-CD1 3.92Å; T95-L98 WeakPolarHBondContact O-CA 3.48Å; T95-L98 WeakPolarHBondContact O-CB 3.32Å; T95-L98 PolarHBondContact O-N 2.15Å; T95-W99 VanDerWaalsContact O-CD1 3.22Å; T95-W99 PolarHBondContact O-N 3.17Å |
| 96 | T | 72.5 | Confident | 71 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.5 | -32.9 | 176 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | G94 K100 | G94-T96 PolarHBondContact O-N 2.18Å; T96-K100 WeakPolarHBondContact O-CB 2.58Å; T96-K100 VanDerWaalsContact O-CG 3.29Å; T96-K100 WeakPolarHBondContact O-CG 3.25Å; T96-K100 PolarHBondContact O-N 3.26Å |
| 97 | A | 77.3 | Confident | 71.3 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 31% | 0.306 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | V85 T95 K100 H101 | V85-A97 HydrophobicContact CG1-CB 4.1Å; T95-A97 VanDerWaalsContact C-N 3.26Å; T95-A97 PolarHBondContact O-N 2.17Å; A97-K100 PolarHBondContact O-N 3.26Å; A97-H101 PolarHBondContact O-N 3.1Å; A97-H101 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 80.9 | Confident | 71.6 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 176.5 | -49.4 | -176.4 | 0 | 0 | 0 | 110.6 | A57 W58 F61 A76 V85 T95 K100 H101 L102 | A57-L98 HydrophobicContact CB-CB 4.27Å; W58-L98 HydrophobicContact CD2-CD1 4.23Å; W58-L98 HydrophobicContact CE3-CD1 4.23Å; W58-L98 HydrophobicContact CH2-CD1 4.27Å; W58-L98 HydrophobicContact CZ2-CD1 4.27Å; W58-L98 HydrophobicContact CZ3-CD1 4.25Å; F61-L98 HydrophobicContact CD1-CD2 3.86Å; F61-L98 HydrophobicContact CD2-CB 4.21Å; F61-L98 HydrophobicContact CD2-CD1 4.37Å; F61-L98 HydrophobicContact CE1-CB 4.42Å; F61-L98 HydrophobicContact CE1-CD2 3.72Å; F61-L98 HydrophobicContact CE2-CB 3.7Å; F61-L98 HydrophobicContact CE2-CD2 4.4Å; F61-L98 HydrophobicContact CE2-CG 4.45Å; F61-L98 HydrophobicContact CG-CD1 4.45Å; F61-L98 HydrophobicContact CG-CD2 4.28Å; F61-L98 HydrophobicContact CZ-CB 3.81Å; F61-L98 HydrophobicContact CZ-CD2 4Å; F61-L98 HydrophobicContact CZ-CG 4.44Å; A76-L98 HydrophobicContact CB-CD2 3.93Å; V85-L98 HydrophobicContact CB-CD2 4.19Å; V85-L98 HydrophobicContact CG1-CD2 4.11Å; T95-L98 HydrophobicContact CG2-CD1 3.92Å; T95-L98 WeakPolarHBondContact O-CA 3.48Å; T95-L98 WeakPolarHBondContact O-CB 3.32Å; T95-L98 PolarHBondContact O-N 2.15Å; L98-K100 PolarHBondContact O-N 2.17Å; L98-H101 WeakPolarHBondContact O-CB 3.43Å; L98-H101 PolarHBondContact O-N 2.94Å; L98-H101 VanDerWaalsContact O-N 3.17Å; L98-L102 WeakPolarHBondContact O-CG 3.31Å; L98-L102 PolarHBondContact O-N 2.99Å |
| 99 | W | 82.2 | Confident | 72.4 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 13% | 0.125 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 174.6 | -80.1 | 115.7 | 0 | 0 | 0 | 113.1 | E56 A57 T95 H101 L102 K103 L110 H115 A118 | E56-W99 HydrophobicContact CB-CZ2 4.39Å; E56-W99 VanDerWaalsContact OE2-CH2 3.24Å; E56-W99 WeakPolarHBondContact OE2-CH2 3.49Å; E56-W99 WeakPolarHBondContact OE2-CZ2 3.45Å; A57-W99 HydrophobicContact CB-CD2 4.26Å; A57-W99 HydrophobicContact CB-CG 4.4Å; A57-W99 HydrophobicContact CB-CZ2 4.26Å; T95-W99 VanDerWaalsContact O-CD1 3.22Å; T95-W99 PolarHBondContact O-N 3.17Å; W99-H101 VanDerWaalsContact C-N 3.34Å; W99-L102 HydrophobicContact CE3-CD1 4.39Å; W99-L102 PolarHBondContact O-N 3.01Å; W99-K103 VanDerWaalsContact O-CB 3.32Å; W99-K103 WeakPolarHBondContact O-CB 3.24Å; W99-K103 WeakPolarHBondContact O-CG 3.31Å; W99-K103 PolarHBondContact O-N 3.25Å; W99-L110 HydrophobicContact CE3-CD2 4.27Å; W99-L110 HydrophobicContact CZ3-CD1 3.92Å; W99-L110 HydrophobicContact CZ3-CD2 3.99Å; W99-L110 HydrophobicContact CZ3-CG 4.4Å; W99-H115 HydrophobicContact CH2-CB 4.26Å; W99-H115 HydrophobicContact CZ3-CB 4.39Å; W99-A118 HydrophobicContact CH2-CB 3.49Å; W99-A118 VanDerWaalsContact CH2-CB 3.49Å; W99-A118 HydrophobicContact CZ2-CB 3.79Å; W99-A118 HydrophobicContact CZ3-CB 3.89Å |
| 100 | K | 82.5 | Confident | 73.5 | Confident | 158 Ų | 158 | 67.7 Ų | 67.7 | 69% | 0.687 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.6 | -43 | 172.9 | -82.2 | -179.7 | 179.2 | -173.1 | 0 | 111.5 | T96 A97 L98 K103 S104 | T96-K100 WeakPolarHBondContact O-CB 2.58Å; T96-K100 VanDerWaalsContact O-CG 3.29Å; T96-K100 WeakPolarHBondContact O-CG 3.25Å; T96-K100 PolarHBondContact O-N 3.26Å; A97-K100 PolarHBondContact O-N 3.26Å; L98-K100 PolarHBondContact O-N 2.17Å; K100-K103 PolarHBondContact O-N 3.22Å; K100-S104 WeakPolarHBondContact O-CB 3.44Å; K100-S104 PolarHBondContact O-N 2.85Å; K100-S104 VanDerWaalsContact O-N 3.07Å; K100-S104 PolarHBondContact O-OG 2.96Å; K100-S104 VanDerWaalsContact O-OG 3.09Å |
| 101 | H | 84.8 | Confident | 74.4 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 11% | 0.106 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 176.2 | 176.8 | 86.7 | 0 | 0 | 0 | 112.3 | F61 C78 C81 V85 A97 L98 W99 K103 S104 M105 H106 | F61-H101 HydrophobicContact CZ-CB 4.33Å; F61-H101 AromaticContact CZ-CD2 3.66Å; C78-H101 WeakPolarHBondContact CB-NE2 2.71Å; C81-H101 VanDerWaalsContact SG-CE1 3.58Å; C81-H101 PolarHBondContact SG-NE2 3.07Å; V85-H101 HydrophobicContact CG2-CB 3.9Å; A97-H101 PolarHBondContact O-N 3.1Å; A97-H101 VanDerWaalsContact O-N 3.08Å; L98-H101 WeakPolarHBondContact O-CB 3.43Å; L98-H101 PolarHBondContact O-N 2.94Å; L98-H101 VanDerWaalsContact O-N 3.17Å; W99-H101 VanDerWaalsContact C-N 3.34Å; H101-K103 PolarHBondContact O-N 2.7Å; H101-S104 PolarHBondContact O-N 3.34Å; H101-S104 PolarHBondContact O-OG 3.44Å; H101-M105 WeakPolarHBondContact O-CB 3.26Å; H101-M105 PolarHBondContact O-N 2.86Å; H101-H106 AromaticContact NE2-CD2 3.89Å; H101-H106 AromaticContact NE2-NE2 3.92Å |
| 102 | L | 84.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.3 | -67.5 | 174.9 | 0 | 0 | 0 | 111.6 | Y60 F61 L80 L98 W99 S104 H106 R107 L110 | Y60-L102 HydrophobicContact CD1-CD2 4.47Å; Y60-L102 HydrophobicContact CD2-CD1 3.95Å; Y60-L102 HydrophobicContact CG-CD1 4.06Å; Y60-L102 HydrophobicContact CG-CD2 4.14Å; F61-L102 HydrophobicContact CE2-CD1 4.06Å; F61-L102 HydrophobicContact CE2-CD2 3.95Å; F61-L102 HydrophobicContact CE2-CG 3.84Å; F61-L102 HydrophobicContact CZ-CD2 4.45Å; F61-L102 HydrophobicContact CZ-CG 4.35Å; L80-L102 HydrophobicContact CD1-CD2 4.15Å; L98-L102 WeakPolarHBondContact O-CG 3.31Å; L98-L102 PolarHBondContact O-N 2.99Å; W99-L102 HydrophobicContact CE3-CD1 4.39Å; W99-L102 PolarHBondContact O-N 3.01Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 3.39Å; L102-H106 HydrophobicContact CD2-CB 4.33Å; L102-H106 CarbonylContact O-C 3.56Å; L102-H106 VanDerWaalsContact O-CA 3.25Å; L102-H106 WeakPolarHBondContact O-CA 3.49Å; L102-H106 PolarHBondContact O-N 3.41Å; L102-R107 PolarHBondContact O-N 2.85Å; L102-L110 HydrophobicContact CB-CD1 4.31Å; L102-L110 HydrophobicContact CB-CD2 4.45Å; L102-L110 HydrophobicContact CD1-CD1 4.22Å |
| 103 | K | 81.7 | Confident | 75.9 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.3 | -14.7 | -178.1 | -70.3 | -177.5 | 176.3 | -165.1 | 0 | 114.6 | W99 K100 H101 L110 G116 | W99-K103 VanDerWaalsContact O-CB 3.32Å; W99-K103 WeakPolarHBondContact O-CB 3.24Å; W99-K103 WeakPolarHBondContact O-CG 3.31Å; W99-K103 PolarHBondContact O-N 3.25Å; K100-K103 PolarHBondContact O-N 3.22Å; H101-K103 PolarHBondContact O-N 2.7Å; K103-L110 HydrophobicContact CD-CD2 4.24Å; K103-L110 HydrophobicContact CG-CD2 3.47Å; K103-L110 VanDerWaalsContact CG-CD2 3.47Å; K103-G116 WeakPolarHBondContact CE-O 3.49Å; K103-G116 PolarHBondContact NZ-O 2.79Å |
| 104 | S | 82.1 | Confident | 76.3 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 62% | 0.622 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -102.2 | -36.6 | 174.4 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | K100 H101 L102 | K100-S104 WeakPolarHBondContact O-CB 3.44Å; K100-S104 PolarHBondContact O-N 2.85Å; K100-S104 VanDerWaalsContact O-N 3.07Å; K100-S104 PolarHBondContact O-OG 2.96Å; K100-S104 VanDerWaalsContact O-OG 3.09Å; H101-S104 PolarHBondContact O-N 3.34Å; H101-S104 PolarHBondContact O-OG 3.44Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 3.39Å |
| 105 | M | 80.9 | Confident | 76.3 | Confident | 79 Ų | 79 | 67 Ų | 67 | 39% | 0.389 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -101.6 | -24.7 | -176 | -65.1 | -60.6 | -42.9 | 0 | 0 | 114.1 | H101 | H101-M105 WeakPolarHBondContact O-CB 3.26Å; H101-M105 PolarHBondContact O-N 2.86Å |
| 106 | H | 85.2 | Confident | 75.6 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 11% | 0.111 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -133.9 | 32 | -169.6 | -63 | -63.8 | 0 | 0 | 0 | 112.2 | L80 C81 H101 L102 E108 E109 L110 | L80-H106 WeakPolarHBondContact CB-CE1 3.47Å; L80-H106 HydrophobicContact CD1-CB 3.74Å; L80-H106 PolarHBondContact O-CE1 3.03Å; C81-H106 WeakPolarHBondContact CB-NE2 3.43Å; C81-H106 PolarHBondContact SG-NE2 3.04Å; H101-H106 AromaticContact NE2-CD2 3.89Å; H101-H106 AromaticContact NE2-NE2 3.92Å; L102-H106 HydrophobicContact CD2-CB 4.33Å; L102-H106 CarbonylContact O-C 3.56Å; L102-H106 VanDerWaalsContact O-CA 3.25Å; L102-H106 WeakPolarHBondContact O-CA 3.49Å; L102-H106 PolarHBondContact O-N 3.41Å; H106-E108 VanDerWaalsContact C-N 3.34Å; H106-E108 PolarHBondContact O-N 3.26Å; H106-E109 PolarHBondContact O-N 2.98Å; H106-L110 PolarHBondContact O-N 2.94Å |
| 107 | R | 79.3 | Confident | 74.7 | Confident | 154 Ų | 154 | 70.6 Ų | 70.6 | 58% | 0.581 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.5 | -46 | -175.1 | -177.8 | 179 | 169.3 | -162.7 | -13.2 | 112.4 | L102 E109 L110 E111 | L102-R107 PolarHBondContact O-N 2.85Å; R107-E109 PolarHBondContact O-N 2.82Å; R107-L110 CarbonylContact O-C 3.59Å; R107-L110 WeakPolarHBondContact O-CB 3.48Å; R107-L110 PolarHBondContact O-N 3.43Å; R107-L110 VanDerWaalsContact O-N 3.15Å; R107-E111 HydrophobicContact CG-CG 4.48Å; R107-E111 IonicContact CZ-OE1 3.53Å; R107-E111 IonicContact NE-OE1 2.77Å; R107-E111 PolarHBondContact NE-OE1 3.22Å; R107-E111 IonicContact NE-OE2 3.19Å; R107-E111 IonicContact NH2-OE1 2.88Å; R107-E111 PolarHBondContact NH2-OE1 2.83Å; R107-E111 IonicContact NH2-OE2 2.81Å; R107-E111 WeakPolarHBondContact O-CG 3.5Å; R107-E111 PolarHBondContact O-N 3.27Å |
| 108 | E | 75.5 | Confident | 73.3 | Confident | 135 Ų | 135 | 71.5 Ų | 71.5 | 63% | 0.631 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | -179.3 | -65.1 | 177 | -159.5 | 0 | 0 | 112.2 | H106 L110 E111 K112 | H106-E108 VanDerWaalsContact C-N 3.34Å; H106-E108 PolarHBondContact O-N 3.26Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.4Å; E108-E111 PolarHBondContact O-N 3.32Å; E108-K112 WeakPolarHBondContact O-CB 3.43Å; E108-K112 WeakPolarHBondContact O-CG 3.46Å; E108-K112 PolarHBondContact O-N 3Å |
| 109 | E | 75.4 | Confident | 71.7 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 40% | 0.397 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 174.9 | -58.4 | -48.3 | 123.2 | 0 | 0 | 111.9 | L80 H106 R107 K112 S113 | L80-E109 HydrophobicContact CD1-CB 4.43Å; H106-E109 PolarHBondContact O-N 2.98Å; R107-E109 PolarHBondContact O-N 2.82Å; E109-K112 IonicContact OE1-NZ 2.66Å; E109-K112 PolarHBondContact OE1-NZ 3.22Å; E109-S113 VanDerWaalsContact O-CB 3.3Å; E109-S113 WeakPolarHBondContact O-CB 3.47Å; E109-S113 PolarHBondContact O-N 3.23Å; E109-S113 PolarHBondContact O-OG 2.88Å |
| 110 | L | 75.9 | Confident | 69.9 | Low | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -73.6 | -27.5 | 175.8 | -153.5 | 74.9 | 0 | 0 | 0 | 113 | W99 L102 K103 H106 R107 E108 G114 H115 G116 | W99-L110 HydrophobicContact CE3-CD2 4.27Å; W99-L110 HydrophobicContact CZ3-CD1 3.92Å; W99-L110 HydrophobicContact CZ3-CD2 3.99Å; W99-L110 HydrophobicContact CZ3-CG 4.4Å; L102-L110 HydrophobicContact CB-CD1 4.31Å; L102-L110 HydrophobicContact CB-CD2 4.45Å; L102-L110 HydrophobicContact CD1-CD1 4.22Å; K103-L110 HydrophobicContact CD-CD2 4.24Å; K103-L110 HydrophobicContact CG-CD2 3.47Å; K103-L110 VanDerWaalsContact CG-CD2 3.47Å; H106-L110 PolarHBondContact O-N 2.94Å; R107-L110 CarbonylContact O-C 3.59Å; R107-L110 WeakPolarHBondContact O-CB 3.48Å; R107-L110 PolarHBondContact O-N 3.43Å; R107-L110 VanDerWaalsContact O-N 3.15Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.4Å; L110-G114 PolarHBondContact O-N 3.29Å; L110-H115 HydrophobicContact CD1-CB 3.75Å; L110-H115 HydrophobicContact CG-CB 4Å; L110-H115 PolarHBondContact O-N 2.89Å; L110-H115 VanDerWaalsContact O-N 3.08Å; L110-G116 PolarHBondContact O-N 2.83Å |
| 111 | E | 73.6 | Confident | 68.1 | Low | 100 Ų | 100 | 81.9 Ų | 81.9 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -80.7 | -43.1 | 174 | -73.3 | 173.6 | 170.3 | 0 | 0 | 110.9 | R107 E108 S113 G114 | R107-E111 HydrophobicContact CG-CG 4.48Å; R107-E111 IonicContact CZ-OE1 3.53Å; R107-E111 IonicContact NE-OE1 2.77Å; R107-E111 PolarHBondContact NE-OE1 3.22Å; R107-E111 IonicContact NE-OE2 3.19Å; R107-E111 IonicContact NH2-OE1 2.88Å; R107-E111 PolarHBondContact NH2-OE1 2.83Å; R107-E111 IonicContact NH2-OE2 2.81Å; R107-E111 WeakPolarHBondContact O-CG 3.5Å; R107-E111 PolarHBondContact O-N 3.27Å; E108-E111 PolarHBondContact O-N 3.32Å; E111-S113 VanDerWaalsContact C-N 3.3Å; E111-S113 PolarHBondContact O-N 3.27Å; E111-G114 PolarHBondContact O-N 2.99Å; E111-G114 VanDerWaalsContact O-N 3.16Å |
| 112 | K | 71.6 | Confident | 65.8 | Low | 142 Ų | 142 | 86.6 Ų | 86.6 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58 | -39 | 172.3 | -71.2 | 164.9 | -164.2 | 169.6 | 0 | 112.8 | E108 E109 | E108-K112 WeakPolarHBondContact O-CB 3.43Å; E108-K112 WeakPolarHBondContact O-CG 3.46Å; E108-K112 PolarHBondContact O-N 3Å; E109-K112 IonicContact OE1-NZ 2.66Å; E109-K112 PolarHBondContact OE1-NZ 3.22Å |
| 113 | S | 65.6 | Low | 63.9 | Low | 47 Ų | 47 | 92.8 Ų | 92.8 | 33% | 0.329 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0.7 | 179.5 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | E109 E111 H115 | E109-S113 VanDerWaalsContact O-CB 3.3Å; E109-S113 WeakPolarHBondContact O-CB 3.47Å; E109-S113 PolarHBondContact O-N 3.23Å; E109-S113 PolarHBondContact O-OG 2.88Å; E111-S113 VanDerWaalsContact C-N 3.3Å; E111-S113 PolarHBondContact O-N 3.27Å; S113-H115 VanDerWaalsContact C-N 3.26Å; S113-H115 VanDerWaalsContact CB-ND1 3.31Å; S113-H115 WeakPolarHBondContact CB-ND1 3.48Å; S113-H115 PolarHBondContact O-CE1 3.31Å; S113-H115 PolarHBondContact O-N 3.46Å; S113-H115 PolarHBondContact O-ND1 2.93Å; S113-H115 VanDerWaalsContact O-ND1 3.1Å; S113-H115 PolarHBondContact OG-ND1 3.28Å |
| 114 | G | 62.8 | Low | 62 | Low | 57 Ų | 57 | 94.5 Ų | 94.5 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 80.7 | -13.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L110 E111 G116 | L110-G114 PolarHBondContact O-N 3.29Å; E111-G114 PolarHBondContact O-N 2.99Å; E111-G114 VanDerWaalsContact O-N 3.16Å; G114-G116 PolarHBondContact O-N 3.28Å; G114-G116 VanDerWaalsContact O-N 3.13Å |
| 115 | H | 61.3 | Low | 60.2 | Low | 48 Ų | 48 | 99.8 Ų | 99.8 | 22% | 0.222 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -71.8 | -3.8 | -174.9 | -56.3 | 103.4 | 0 | 0 | 0 | 115.4 | E56 Y60 W99 L110 S113 Q117 A118 | E56-H115 IonicContact OE1-CD2 3.2Å; E56-H115 IonicContact OE1-NE2 3.86Å; E56-H115 IonicContact OE2-CD2 3.73Å; E56-H115 PolarHBondContact OE2-CD2 3.19Å; Y60-H115 PolarHBondContact OH-CE1 3.04Å; Y60-H115 VanDerWaalsContact OH-CE1 3.26Å; Y60-H115 PolarHBondContact OH-ND1 3.46Å; W99-H115 HydrophobicContact CH2-CB 4.26Å; W99-H115 HydrophobicContact CZ3-CB 4.39Å; L110-H115 HydrophobicContact CD1-CB 3.75Å; L110-H115 HydrophobicContact CG-CB 4Å; L110-H115 PolarHBondContact O-N 2.89Å; L110-H115 VanDerWaalsContact O-N 3.08Å; S113-H115 VanDerWaalsContact C-N 3.26Å; S113-H115 VanDerWaalsContact CB-ND1 3.31Å; S113-H115 WeakPolarHBondContact CB-ND1 3.48Å; S113-H115 PolarHBondContact O-CE1 3.31Å; S113-H115 PolarHBondContact O-N 3.46Å; S113-H115 PolarHBondContact O-ND1 2.93Å; S113-H115 VanDerWaalsContact O-ND1 3.1Å; S113-H115 PolarHBondContact OG-ND1 3.28Å; H115-Q117 PolarHBondContact O-N 3.37Å; H115-A118 PolarHBondContact O-N 3.47Å |
| 116 | G | 53.2 | Low | 58.4 | Low | 26 Ų | 26 | 102.2 Ų | 102.2 | 27% | 0.268 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -51.3 | -34.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K103 L110 G114 A118 | K103-G116 WeakPolarHBondContact CE-O 3.49Å; K103-G116 PolarHBondContact NZ-O 2.79Å; L110-G116 PolarHBondContact O-N 2.83Å; G114-G116 PolarHBondContact O-N 3.28Å; G114-G116 VanDerWaalsContact O-N 3.13Å; G116-A118 PolarHBondContact O-N 3Å |
| 117 | Q | 53.3 | Low | 56.6 | Low | 169 Ų | 169 | 108.6 Ų | 108.6 | 79% | 0.79 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -80.3 | -5.2 | -173.4 | -63.3 | -157.7 | 0.2 | 0 | 0 | 116 | H115 G119 Q120 | H115-Q117 PolarHBondContact O-N 3.37Å; Q117-G119 PolarHBondContact O-N 3.01Å; Q117-Q120 PolarHBondContact O-N 3.15Å |
| 118 | A | 47.6 | Very low | 54.9 | Low | 55 Ų | 55 | 104.3 Ų | 104.3 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | 30.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | W99 H115 G116 | W99-A118 HydrophobicContact CH2-CB 3.49Å; W99-A118 VanDerWaalsContact CH2-CB 3.49Å; W99-A118 HydrophobicContact CZ2-CB 3.79Å; W99-A118 HydrophobicContact CZ3-CB 3.89Å; H115-A118 PolarHBondContact O-N 3.47Å; G116-A118 PolarHBondContact O-N 3Å |
| 119 | G | 47.5 | Very low | 53.5 | Low | 60 Ų | 60 | 103.6 Ų | 103.6 | 62% | 0.619 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | -5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q117 R121 | Q117-G119 PolarHBondContact O-N 3.01Å; G119-R121 PolarHBondContact O-N 3.47Å |
| 120 | Q | 43 | Very low | 52.2 | Low | 140 Ų | 140 | 108.4 Ų | 108.4 | 65% | 0.654 | 59% | 0.591 | S | S | * | * | trans | -90 | 93.7 | 173 | -145.5 | -169.6 | 40.1 | 0 | 0 | 109.1 | Q117 Q122 | Q117-Q120 PolarHBondContact O-N 3.15Å; Q120-Q122 HydrophobicContact CG-CG 3.97Å; Q120-Q122 PolarHBondContact O-N 2.72Å | ||
| 121 | R | 44.8 | Very low | 50.8 | Low | 211 Ų | 211 | 114.4 Ų | 114.4 | 80% | 0.796 | 62% | 0.623 | S | S | * | * | trans | -76.9 | 53.9 | 175.2 | -149.4 | -69.7 | -174.6 | -146.7 | 0.7 | 110.4 | G119 D123 | G119-R121 PolarHBondContact O-N 3.47Å; R121-D123 IonicContact NH1-OD1 2.68Å; R121-D123 PolarHBondContact NH1-OD1 3.01Å | ||
| 122 | Q | 38.3 | Very low | 49.5 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 58% | 0.575 | 63% | 0.628 | S | S | * | * | trans | -58.2 | 146.3 | 162.3 | -67.8 | -67.5 | 1.6 | 0 | 0 | 108.5 | Q120 P124 | Q120-Q122 HydrophobicContact CG-CG 3.97Å; Q120-Q122 PolarHBondContact O-N 2.72Å; Q122-P124 WeakPolarHBondContact O-CD 3.48Å | ||
| 123 | D | 42.2 | Very low | 48.7 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | trans | -100.8 | 102.7 | 169 | -168.5 | 45.6 | 0 | 0 | 0 | 107.8 | R121 R125 | R121-D123 IonicContact NH1-OD1 2.68Å; R121-D123 PolarHBondContact NH1-OD1 3.01Å; D123-R125 PolarHBondContact O-N 3.49Å | ||
| 124 | P | 43.8 | Very low | 48.2 | Very low | 106 Ų | 106 | 114.1 Ų | 114.1 | 69% | 0.688 | 65% | 0.652 | S | S | * | * | trans | -78.7 | 113.3 | -178 | -5.7 | 24.2 | 0 | 0 | 0 | 108.5 | Q122 | Q122-P124 WeakPolarHBondContact O-CD 3.48Š| ||
| 125 | R | 43.8 | Very low | 47.8 | Very low | 201 Ų | 201 | 116.5 Ų | 116.5 | 76% | 0.758 | 65% | 0.649 | S | S | * | * | trans | -51.5 | 142.5 | 156.7 | -99.3 | -152.2 | -70.5 | 170.9 | -6.1 | 108.4 | D123 H127 | D123-R125 PolarHBondContact O-N 3.49Å; R125-H127 PolarHBondContact O-N 2.86Å | ||
| 126 | P | 43 | Very low | 47.7 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 84% | 0.838 | 67% | 0.674 | S | S | * | * | trans | -72.8 | 75.3 | -170.9 | 30.2 | -36.7 | 0 | 0 | 0 | 112.4 | G128 | P126-G128 PolarHBondContact O-N 2.93Š| ||
| 127 | H | 47.7 | Very low | 48.2 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | trans | -77 | 110.4 | 154.3 | -66.8 | -81.4 | 0 | 0 | 0 | 106.4 | R125 | R125-H127 PolarHBondContact O-N 2.86Š| ||
| 128 | G | 43 | Very low | 49.6 | Very low | 63 Ų | 63 | 119.1 Ų | 119.1 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | trans | -57.1 | 139.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112 | P126 Q130 | P126-G128 PolarHBondContact O-N 2.93Å; G128-Q130 PolarHBondContact O-N 3.03Å; G128-Q130 VanDerWaalsContact O-N 3.15Å | ||
| 129 | P | 45.6 | Very low | 51.5 | Low | 121 Ų | 121 | 124.4 Ų | 124.4 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | trans | -58.8 | 120.1 | 174.1 | -22.7 | 33.4 | 0 | 0 | 0 | 110.5 | L131 | P129-L131 PolarHBondContact O-N 2.83Š| ||
| 130 | Q | 49.8 | Very low | 53.6 | Low | 186 Ų | 186 | 123.6 Ų | 123.6 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | trans | -64.5 | 102.1 | 158.8 | -75.5 | -76.4 | 30.8 | 0 | 0 | 107 | G128 | G128-Q130 PolarHBondContact O-N 3.03Å; G128-Q130 VanDerWaalsContact O-N 3.15Å | ||
| 131 | L | 44.8 | Very low | 55.9 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | trans | -60.2 | 130.3 | 176.6 | -84 | 165.3 | 0 | 0 | 0 | 109.5 | P129 T133 | P129-L131 PolarHBondContact O-N 2.83Å; L131-T133 PolarHBondContact O-N 3.5Å; L131-T133 PolarHBondContact O-OG1 3.3Å | ||
| 132 | P | 47.5 | Very low | 58.2 | Low | 90 Ų | 90 | 118.6 Ų | 118.6 | 58% | 0.584 | 65% | 0.649 | S | S | * | * | trans | -60.5 | 109.6 | 165.7 | -19.7 | 32.2 | 0 | 0 | 0 | 108.7 | G134 I135 | P132-G134 PolarHBondContact O-N 3.41Å; P132-I135 PolarHBondContact O-N 3Å | ||
| 133 | T | 53.5 | Low | 60.8 | Low | 135 Ų | 135 | 118.8 Ų | 118.8 | 83% | 0.828 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 15.3 | -170.7 | -29.1 | 0 | 0 | 0 | 0 | 114 | L131 | L131-T133 PolarHBondContact O-N 3.5Å; L131-T133 PolarHBondContact O-OG1 3.3Å |
| 134 | G | 55.4 | Low | 63.3 | Low | 59 Ų | 59 | 119.1 Ų | 119.1 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -22.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P132 | P132-G134 PolarHBondContact O-N 3.41Š|
| 135 | I | 55.4 | Low | 65.8 | Low | 106 Ų | 106 | 119.9 Ų | 119.9 | 54% | 0.544 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -73.6 | -34.9 | -174.3 | -62.3 | 173.1 | 0 | 0 | 0 | 111.7 | P132 G137 D138 | P132-I135 PolarHBondContact O-N 3Å; I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 3.23Å; I135-D138 PolarHBondContact O-N 2.89Å |
| 136 | E | 58.8 | Low | 68.4 | Low | 159 Ų | 159 | 114.2 Ų | 114.2 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.1 | -29.3 | -177 | -163.5 | 163 | -163.8 | 0 | 0 | 112.4 | D138 | E136-D138 VanDerWaalsContact C-N 3.34Å; E136-D138 PolarHBondContact O-N 3.35Å |
| 137 | G | 64 | Low | 70.9 | Confident | 37 Ų | 37 | 109.6 Ų | 109.6 | 38% | 0.381 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -85.1 | 4.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I135 R141 | I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 3.23Å; G137-R141 PolarHBondContact O-NH2 2.82Å |
| 138 | D | 81.4 | Confident | 73.3 | Confident | 103 Ų | 103 | 105.3 Ų | 105.3 | 55% | 0.551 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -92.1 | -43.3 | 178.1 | -163.1 | 35.1 | 0 | 0 | 0 | 111.3 | I135 E136 G140 R141 L142 | I135-D138 PolarHBondContact O-N 2.89Å; E136-D138 VanDerWaalsContact C-N 3.34Å; E136-D138 PolarHBondContact O-N 3.35Å; D138-G140 VanDerWaalsContact C-N 3.26Å; D138-G140 PolarHBondContact O-N 3Å; D138-R141 WeakPolarHBondContact O-CB 3.43Å; D138-R141 PolarHBondContact O-N 3.02Å; D138-L142 PolarHBondContact O-N 2.95Å |
| 139 | W | 89 | Confident | 76 | Confident | 165 Ų | 165 | 108.2 Ų | 108.2 | 63% | 0.625 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.2 | -36.7 | 175.9 | -63.1 | 104.5 | 0 | 0 | 0 | 113.5 | L142 L143 | W139-L142 HydrophobicContact CE3-CD2 4.12Å; W139-L142 HydrophobicContact CZ3-CD2 4.09Å; W139-L142 PolarHBondContact O-N 3.24Å; W139-L143 WeakPolarHBondContact O-CB 3.36Å; W139-L143 VanDerWaalsContact O-CG 3.27Å; W139-L143 WeakPolarHBondContact O-CG 3.45Å; W139-L143 PolarHBondContact O-N 3.4Å |
| 140 | G | 90.4 | Very high | 78.5 | Confident | 44 Ų | 44 | 105.3 Ų | 105.3 | 45% | 0.454 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.2 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D138 L143 E144 | D138-G140 VanDerWaalsContact C-N 3.26Å; D138-G140 PolarHBondContact O-N 3Å; G140-L143 PolarHBondContact O-N 3.33Å; G140-E144 WeakPolarHBondContact O-CB 3.27Å; G140-E144 PolarHBondContact O-N 3.48Å |
| 141 | R | 90.8 | Very high | 80.8 | Confident | 163 Ų | 163 | 102.6 Ų | 102.6 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67 | -40.7 | 176.6 | -110.1 | 174.7 | -73.9 | -88.3 | -6.7 | 112.1 | G137 D138 E144 Q145 | G137-R141 PolarHBondContact O-NH2 2.82Å; D138-R141 WeakPolarHBondContact O-CB 3.43Å; D138-R141 PolarHBondContact O-N 3.02Å; R141-E144 PolarHBondContact O-N 3.22Å; R141-Q145 WeakPolarHBondContact O-CB 3.4Å; R141-Q145 PolarHBondContact O-N 2.95Å |
| 142 | L | 93 | Very high | 83.3 | Confident | 83 Ų | 83 | 105.7 Ų | 105.7 | 44% | 0.435 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -42 | 175.9 | -175.5 | 63.2 | 0 | 0 | 0 | 111.6 | D138 W139 Q145 V146 | D138-L142 PolarHBondContact O-N 2.95Å; W139-L142 HydrophobicContact CE3-CD2 4.12Å; W139-L142 HydrophobicContact CZ3-CD2 4.09Å; W139-L142 PolarHBondContact O-N 3.24Å; L142-Q145 PolarHBondContact O-N 2.91Å; L142-V146 WeakPolarHBondContact O-CB 3.41Å; L142-V146 VanDerWaalsContact O-CG2 3.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.38Å; L142-V146 PolarHBondContact O-N 3.5Å |
| 143 | L | 94.1 | Very high | 85.7 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.3 | -39.4 | 175.6 | -72.5 | 168.7 | 0 | 0 | 0 | 112.4 | W139 G140 V146 G147 | W139-L143 WeakPolarHBondContact O-CB 3.36Å; W139-L143 VanDerWaalsContact O-CG 3.27Å; W139-L143 WeakPolarHBondContact O-CG 3.45Å; W139-L143 PolarHBondContact O-N 3.4Å; G140-L143 PolarHBondContact O-N 3.33Å; L143-V146 PolarHBondContact O-N 2.83Å; L143-G147 PolarHBondContact O-N 3.47Å |
| 144 | E | 94.6 | Very high | 87.8 | Confident | 137 Ų | 137 | 99 Ų | 99 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 175.1 | -176.3 | 173 | -142 | 0 | 0 | 112.1 | G140 R141 G147 T148 | G140-E144 WeakPolarHBondContact O-CB 3.27Å; G140-E144 PolarHBondContact O-N 3.48Å; R141-E144 PolarHBondContact O-N 3.22Å; E144-G147 PolarHBondContact O-N 2.94Å; E144-T148 WeakPolarHBondContact O-CB 3.49Å; E144-T148 PolarHBondContact O-N 3.45Å; E144-T148 PolarHBondContact O-OG1 3.4Å |
| 145 | Q | 96.3 | Very high | 89.9 | Confident | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -46.1 | 174.2 | -174.9 | 178.2 | 5 | 0 | 0 | 111.7 | R141 L142 T148 M149 | R141-Q145 WeakPolarHBondContact O-CB 3.4Å; R141-Q145 PolarHBondContact O-N 2.95Å; L142-Q145 PolarHBondContact O-N 2.91Å; Q145-T148 WeakPolarHBondContact O-CB 3.28Å; Q145-T148 PolarHBondContact O-N 2.96Å; Q145-M149 WeakPolarHBondContact O-CG 3.41Å; Q145-M149 PolarHBondContact O-N 2.94Å |
| 146 | V | 97.6 | Very high | 91.9 | Very high | 82 Ų | 82 | 104.9 Ų | 104.9 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.5 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | L142 L143 T148 M149 A150 | L142-V146 WeakPolarHBondContact O-CB 3.41Å; L142-V146 VanDerWaalsContact O-CG2 3.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.38Å; L142-V146 PolarHBondContact O-N 3.5Å; L143-V146 PolarHBondContact O-N 2.83Å; V146-T148 VanDerWaalsContact C-N 3.34Å; V146-T148 PolarHBondContact O-N 3.41Å; V146-M149 PolarHBondContact O-N 3.48Å; V146-A150 WeakPolarHBondContact O-CB 3.45Å; V146-A150 PolarHBondContact O-N 3.03Å |
| 147 | G | 97.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 103 Ų | 103 | 33% | 0.33 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L143 E144 A150 L151 | L143-G147 PolarHBondContact O-N 3.47Å; E144-G147 PolarHBondContact O-N 2.94Å; G147-A150 PolarHBondContact O-N 3.37Å; G147-L151 WeakPolarHBondContact O-CG 3.45Å; G147-L151 PolarHBondContact O-N 3.43Å |
| 148 | T | 98 | Very high | 95.4 | Very high | 69 Ų | 69 | 106.8 Ų | 106.8 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 173 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | E144 Q145 V146 A150 L151 W152 | E144-T148 WeakPolarHBondContact O-CB 3.49Å; E144-T148 PolarHBondContact O-N 3.45Å; E144-T148 PolarHBondContact O-OG1 3.4Å; Q145-T148 WeakPolarHBondContact O-CB 3.28Å; Q145-T148 PolarHBondContact O-N 2.96Å; V146-T148 VanDerWaalsContact C-N 3.34Å; V146-T148 PolarHBondContact O-N 3.41Å; T148-A150 VanDerWaalsContact C-N 3.34Å; T148-A150 PolarHBondContact O-N 3.04Å; T148-L151 PolarHBondContact O-N 2.97Å; T148-W152 VanDerWaalsContact O-CD1 3.26Å; T148-W152 PolarHBondContact O-N 3.43Å |
| 149 | M | 97.9 | Very high | 96.2 | Very high | 124 Ų | 124 | 104.1 Ų | 104.1 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -39.9 | 176.6 | -70.9 | 178.4 | 67.9 | 0 | 0 | 112.7 | Q145 V146 W152 A153 | Q145-M149 WeakPolarHBondContact O-CG 3.41Å; Q145-M149 PolarHBondContact O-N 2.94Å; V146-M149 PolarHBondContact O-N 3.48Å; M149-W152 PolarHBondContact O-N 3.32Å; M149-A153 WeakPolarHBondContact O-CB 3.44Å; M149-A153 PolarHBondContact O-N 2.67Å |
| 150 | A | 98.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 98.9 Ų | 98.9 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V146 G147 T148 A153 S154 | V146-A150 WeakPolarHBondContact O-CB 3.45Å; V146-A150 PolarHBondContact O-N 3.03Å; G147-A150 PolarHBondContact O-N 3.37Å; T148-A150 VanDerWaalsContact C-N 3.34Å; T148-A150 PolarHBondContact O-N 3.04Å; A150-A153 PolarHBondContact O-N 2.93Å; A150-S154 PolarHBondContact O-N 2.92Å |
| 151 | L | 98.3 | Very high | 97.1 | Very high | 130 Ų | 130 | 101.6 Ų | 101.6 | 68% | 0.681 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 174.1 | -71.8 | 169.8 | 0 | 0 | 0 | 111.9 | G147 T148 S154 Q155 | G147-L151 WeakPolarHBondContact O-CG 3.45Å; G147-L151 PolarHBondContact O-N 3.43Å; T148-L151 PolarHBondContact O-N 2.97Å; L151-S154 PolarHBondContact O-N 3.28Å; L151-Q155 WeakPolarHBondContact O-CB 3.49Å; L151-Q155 PolarHBondContact O-N 3Å |
| 152 | W | 98.2 | Very high | 97.4 | Very high | 194 Ų | 194 | 101.7 Ų | 101.7 | 74% | 0.735 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 174 | -83.8 | 102.8 | 0 | 0 | 0 | 112.5 | T148 M149 Q155 R156 | T148-W152 VanDerWaalsContact O-CD1 3.26Å; T148-W152 PolarHBondContact O-N 3.43Å; M149-W152 PolarHBondContact O-N 3.32Å; W152-Q155 PolarHBondContact O-N 2.91Å; W152-R156 WeakPolarHBondContact O-CB 3.49Å; W152-R156 PolarHBondContact O-N 2.71Å |
| 153 | A | 98.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 104.9 Ų | 104.9 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -52.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M149 A150 Q155 R156 E157 | M149-A153 WeakPolarHBondContact O-CB 3.44Å; M149-A153 PolarHBondContact O-N 2.67Å; A150-A153 PolarHBondContact O-N 2.93Å; A153-Q155 VanDerWaalsContact C-N 3.28Å; A153-Q155 PolarHBondContact O-N 2.81Å; A153-R156 WeakPolarHBondContact O-CA 3.33Å; A153-R156 WeakPolarHBondContact O-CB 3.44Å; A153-R156 PolarHBondContact O-N 3.14Å; A153-E157 WeakPolarHBondContact O-CG 3.5Å; A153-E157 PolarHBondContact O-N 2.93Å |
| 154 | S | 98.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 103.8 Ų | 103.8 | 28% | 0.28 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 178.8 | -173.1 | 0 | 0 | 0 | 0 | 113 | A150 L151 E157 K158 | A150-S154 PolarHBondContact O-N 2.92Å; L151-S154 PolarHBondContact O-N 3.28Å; S154-E157 WeakPolarHBondContact CA-OE2 3.39Å; S154-K158 VanDerWaalsContact O-CG 3.29Å; S154-K158 WeakPolarHBondContact O-CG 3.33Å; S154-K158 PolarHBondContact O-N 3.29Å; S154-K158 VanDerWaalsContact O-N 3.09Å |
| 155 | Q | 98.1 | Very high | 98.1 | Very high | 101 Ų | 101 | 103.1 Ų | 103.1 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.3 | -32.3 | 175.1 | -172 | 52.4 | 64.3 | 0 | 0 | 112.4 | L151 W152 A153 E159 | L151-Q155 WeakPolarHBondContact O-CB 3.49Å; L151-Q155 PolarHBondContact O-N 3Å; W152-Q155 PolarHBondContact O-N 2.91Å; A153-Q155 VanDerWaalsContact C-N 3.28Å; A153-Q155 PolarHBondContact O-N 2.81Å; Q155-E159 PolarHBondContact O-N 3.2Å |
| 156 | R | 98.4 | Very high | 98.2 | Very high | 187 Ų | 187 | 99.7 Ų | 99.7 | 71% | 0.706 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.1 | -40.2 | 173.2 | -173.4 | 175.6 | -179.1 | -89.1 | 1.7 | 111.9 | W152 A153 E159 V160 | W152-R156 WeakPolarHBondContact O-CB 3.49Å; W152-R156 PolarHBondContact O-N 2.71Å; A153-R156 WeakPolarHBondContact O-CA 3.33Å; A153-R156 WeakPolarHBondContact O-CB 3.44Å; A153-R156 PolarHBondContact O-N 3.14Å; R156-E159 PolarHBondContact O-N 3.27Å; R156-V160 WeakPolarHBondContact O-CG2 3.48Å; R156-V160 PolarHBondContact O-N 3.29Å |
| 157 | E | 98.2 | Very high | 98.3 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.7 | -47.6 | 174.5 | -71 | 163.7 | 179.7 | 0 | 0 | 111.7 | A153 S154 E159 V160 L161 | A153-E157 WeakPolarHBondContact O-CG 3.5Å; A153-E157 PolarHBondContact O-N 2.93Å; S154-E157 WeakPolarHBondContact CA-OE2 3.39Å; E157-E159 PolarHBondContact O-N 3.09Å; E157-V160 PolarHBondContact O-N 3.39Å; E157-V160 VanDerWaalsContact O-N 3.14Å; E157-L161 WeakPolarHBondContact O-CG 3.43Å; E157-L161 PolarHBondContact O-N 3.29Å |
| 158 | K | 98.4 | Very high | 98.3 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -36 | 174.7 | -70.4 | 167.4 | -168.4 | 171.4 | 0 | 112.4 | S154 R162 | S154-K158 VanDerWaalsContact O-CG 3.29Å; S154-K158 WeakPolarHBondContact O-CG 3.33Å; S154-K158 PolarHBondContact O-N 3.29Å; S154-K158 VanDerWaalsContact O-N 3.09Å; K158-R162 WeakPolarHBondContact O-CG 3.42Å; K158-R162 PolarHBondContact O-N 3.41Å; K158-R162 VanDerWaalsContact O-N 3.14Å |
| 159 | E | 98.2 | Very high | 98.4 | Very high | 48 Ų | 48 | 106.7 Ų | 106.7 | 22% | 0.224 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -74.3 | -33 | 177.4 | 178.3 | 58 | -170.6 | 0 | 0 | 113 | Q155 R156 E157 R162 R163 | Q155-E159 PolarHBondContact O-N 3.2Å; R156-E159 PolarHBondContact O-N 3.27Å; E157-E159 PolarHBondContact O-N 3.09Å; E159-R162 IonicContact OE2-CZ 3.73Å; E159-R162 IonicContact OE2-NE 3.34Å; E159-R162 PolarHBondContact OE2-NE 3.02Å; E159-R162 IonicContact OE2-NH2 2.74Å; E159-R162 PolarHBondContact OE2-NH2 3.25Å; E159-R163 WeakPolarHBondContact O-CD 3.43Å; E159-R163 WeakPolarHBondContact O-CG 3.43Å; E159-R163 PolarHBondContact O-N 2.96Å; E159-R163 IonicContact OE1-CZ 3.15Å; E159-R163 IonicContact OE1-NE 3.69Å; E159-R163 PolarHBondContact OE1-NE 2.9Å; E159-R163 IonicContact OE1-NH2 2.77Å; E159-R163 PolarHBondContact OE1-NH2 2.88Å |
| 160 | V | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 108.9 Ų | 108.9 | 33% | 0.327 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 170.3 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | R156 E157 R162 R163 E164 | R156-V160 WeakPolarHBondContact O-CG2 3.48Å; R156-V160 PolarHBondContact O-N 3.29Å; E157-V160 PolarHBondContact O-N 3.39Å; E157-V160 VanDerWaalsContact O-N 3.14Å; V160-R162 VanDerWaalsContact C-N 3.28Å; V160-R162 PolarHBondContact O-N 2.9Å; V160-R163 CarbonylContact O-C 3.6Å; V160-R163 WeakPolarHBondContact O-CA 3.35Å; V160-R163 WeakPolarHBondContact O-CB 3.49Å; V160-R163 PolarHBondContact O-N 3.14Å; V160-E164 HydrophobicContact CG1-CG 4.17Å; V160-E164 VanDerWaalsContact CG1-OE1 3.29Å; V160-E164 WeakPolarHBondContact CG1-OE1 3.5Å; V160-E164 WeakPolarHBondContact O-CG 3.29Å; V160-E164 PolarHBondContact O-N 3.12Å |
| 161 | L | 98.6 | Very high | 98.4 | Very high | 101 Ų | 101 | 111.6 Ų | 111.6 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.2 | -39.1 | 176.6 | -72.1 | 164.3 | 0 | 0 | 0 | 112.8 | E157 R163 E164 M165 | E157-L161 WeakPolarHBondContact O-CG 3.43Å; E157-L161 PolarHBondContact O-N 3.29Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 3.08Å; L161-E164 PolarHBondContact O-N 2.86Å; L161-M165 WeakPolarHBondContact O-CG 3.29Å; L161-M165 PolarHBondContact O-N 3.08Å; L161-M165 VanDerWaalsContact O-N 3.08Å |
| 162 | R | 98.6 | Very high | 98.5 | Very high | 166 Ų | 166 | 110.9 Ų | 110.9 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -33.6 | 174.2 | -74.3 | -160.9 | -63.2 | -162.6 | 2.2 | 113.1 | K158 E159 V160 A166 | K158-R162 WeakPolarHBondContact O-CG 3.42Å; K158-R162 PolarHBondContact O-N 3.41Å; K158-R162 VanDerWaalsContact O-N 3.14Å; E159-R162 IonicContact OE2-CZ 3.73Å; E159-R162 IonicContact OE2-NE 3.34Å; E159-R162 PolarHBondContact OE2-NE 3.02Å; E159-R162 IonicContact OE2-NH2 2.74Å; E159-R162 PolarHBondContact OE2-NH2 3.25Å; V160-R162 VanDerWaalsContact C-N 3.28Å; V160-R162 PolarHBondContact O-N 2.9Å; R162-A166 PolarHBondContact O-N 3.38Å |
| 163 | R | 98.8 | Very high | 98.5 | Very high | 149 Ų | 149 | 102.9 Ų | 102.9 | 56% | 0.562 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -79.3 | -40.1 | 179 | -66.7 | 166.5 | -170.9 | -170.7 | 0.8 | 111.4 | E159 V160 L161 A166 V167 | E159-R163 WeakPolarHBondContact O-CD 3.43Å; E159-R163 WeakPolarHBondContact O-CG 3.43Å; E159-R163 PolarHBondContact O-N 2.96Å; E159-R163 IonicContact OE1-CZ 3.15Å; E159-R163 IonicContact OE1-NE 3.69Å; E159-R163 PolarHBondContact OE1-NE 2.9Å; E159-R163 IonicContact OE1-NH2 2.77Å; E159-R163 PolarHBondContact OE1-NH2 2.88Å; V160-R163 CarbonylContact O-C 3.6Å; V160-R163 WeakPolarHBondContact O-CA 3.35Å; V160-R163 WeakPolarHBondContact O-CB 3.49Å; V160-R163 PolarHBondContact O-N 3.14Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 3.08Å; R163-A166 CarbonylContact O-C 3.5Å; R163-A166 WeakPolarHBondContact O-CB 3.35Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-A166 VanDerWaalsContact O-N 3.08Å; R163-V167 WeakPolarHBondContact O-CG2 3.4Å; R163-V167 PolarHBondContact O-N 3.43Å |
| 164 | E | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 103.9 Ų | 103.9 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58 | -48.9 | 174.1 | -70.4 | 168.2 | 162.3 | 0 | 0 | 111 | V160 L161 A166 V167 E168 | V160-E164 HydrophobicContact CG1-CG 4.17Å; V160-E164 VanDerWaalsContact CG1-OE1 3.29Å; V160-E164 WeakPolarHBondContact CG1-OE1 3.5Å; V160-E164 WeakPolarHBondContact O-CG 3.29Å; V160-E164 PolarHBondContact O-N 3.12Å; L161-E164 PolarHBondContact O-N 2.86Å; E164-A166 PolarHBondContact O-N 3.4Å; E164-V167 PolarHBondContact O-N 2.86Å; E164-V167 VanDerWaalsContact O-N 3.12Å; E164-E168 WeakPolarHBondContact O-CB 3.39Å; E164-E168 PolarHBondContact O-N 3.16Å |
| 165 | M | 98.7 | Very high | 98.5 | Very high | 123 Ų | 123 | 106.2 Ų | 106.2 | 61% | 0.606 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.9 | -34.7 | 173.2 | -70.4 | -60 | -49.3 | 0 | 0 | 113.4 | L161 W169 | L161-M165 WeakPolarHBondContact O-CG 3.29Å; L161-M165 PolarHBondContact O-N 3.08Å; L161-M165 VanDerWaalsContact O-N 3.08Å; M165-W169 PolarHBondContact O-N 3.25Å |
| 166 | A | 98.4 | Very high | 98.6 | Very high | 48 Ų | 48 | 108.3 Ų | 108.3 | 40% | 0.397 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.6 | -28 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R162 R163 E164 R170 | R162-A166 PolarHBondContact O-N 3.38Å; R163-A166 CarbonylContact O-C 3.5Å; R163-A166 WeakPolarHBondContact O-CB 3.35Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-A166 VanDerWaalsContact O-N 3.08Å; E164-A166 PolarHBondContact O-N 3.4Å; A166-R170 WeakPolarHBondContact O-CD 3.44Å; A166-R170 VanDerWaalsContact O-CG 3.25Å; A166-R170 WeakPolarHBondContact O-CG 3.25Å; A166-R170 PolarHBondContact O-N 3.03Å |
| 167 | V | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 107.8 Ų | 107.8 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.9 | -50 | 171 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | R163 E164 W169 R170 E171 | R163-V167 WeakPolarHBondContact O-CG2 3.4Å; R163-V167 PolarHBondContact O-N 3.43Å; E164-V167 PolarHBondContact O-N 2.86Å; E164-V167 VanDerWaalsContact O-N 3.12Å; V167-W169 PolarHBondContact O-N 2.83Å; V167-W169 VanDerWaalsContact O-N 3.16Å; V167-R170 CarbonylContact O-C 3.54Å; V167-R170 WeakPolarHBondContact O-CA 3.38Å; V167-R170 WeakPolarHBondContact O-CB 3.38Å; V167-R170 PolarHBondContact O-N 2.85Å; V167-E171 HydrophobicContact CG1-CG 4.14Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.47Å; V167-E171 WeakPolarHBondContact O-CG 3.44Å; V167-E171 PolarHBondContact O-N 3.17Å |
| 168 | E | 98.6 | Very high | 98.6 | Very high | 75 Ų | 75 | 107 Ų | 107 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -28.7 | 179.8 | -162.7 | -143.6 | -159 | 0 | 0 | 112.7 | E164 R172 | E164-E168 WeakPolarHBondContact O-CB 3.39Å; E164-E168 PolarHBondContact O-N 3.16Å; E168-R172 WeakPolarHBondContact O-CG 3.36Å; E168-R172 PolarHBondContact O-N 2.92Å; E168-R172 PolarHBondContact O-NH1 3.19Å; E168-R172 IonicContact OE1-CZ 3.39Å; E168-R172 IonicContact OE1-NH1 2.67Å; E168-R172 IonicContact OE1-NH2 3.46Å; E168-R172 PolarHBondContact OE1-NH2 3Å; E168-R172 IonicContact OE2-CZ 3.96Å; E168-R172 IonicContact OE2-NH1 2.71Å; E168-R172 PolarHBondContact OE2-NH1 3.45Å; E168-R172 IonicContact OE2-NH2 3.57Å; E168-R172 PolarHBondContact OE2-NH2 3.21Å |
| 169 | W | 98.6 | Very high | 98.6 | Very high | 182 Ų | 182 | 106.2 Ų | 106.2 | 69% | 0.689 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.5 | -40 | 170 | -172.1 | 93.4 | 0 | 0 | 0 | 112.7 | M165 V167 A173 | M165-W169 PolarHBondContact O-N 3.25Å; V167-W169 PolarHBondContact O-N 2.83Å; V167-W169 VanDerWaalsContact O-N 3.16Å; W169-A173 HydrophobicContact CZ3-CB 4.42Å; W169-A173 PolarHBondContact O-N 2.87Å |
| 170 | R | 98.6 | Very high | 98.6 | Very high | 171 Ų | 171 | 106.2 Ų | 106.2 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.9 | -40.3 | 177.8 | -72.1 | 167.2 | -178.2 | -93.2 | -1.5 | 111.6 | A166 V167 A173 V174 | A166-R170 WeakPolarHBondContact O-CD 3.44Å; A166-R170 VanDerWaalsContact O-CG 3.25Å; A166-R170 WeakPolarHBondContact O-CG 3.25Å; A166-R170 PolarHBondContact O-N 3.03Å; V167-R170 CarbonylContact O-C 3.54Å; V167-R170 WeakPolarHBondContact O-CA 3.38Å; V167-R170 WeakPolarHBondContact O-CB 3.38Å; V167-R170 PolarHBondContact O-N 2.85Å; R170-A173 CarbonylContact O-C 3.54Å; R170-A173 WeakPolarHBondContact O-CA 3.44Å; R170-A173 WeakPolarHBondContact O-CB 3.34Å; R170-A173 PolarHBondContact O-N 3.3Å; R170-V174 WeakPolarHBondContact O-CG2 3.44Å; R170-V174 PolarHBondContact O-N 3.49Å |
| 171 | E | 98.5 | Very high | 98.6 | Very high | 117 Ų | 117 | 109.3 Ų | 109.3 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 175.2 | -71.3 | 170.1 | 160.6 | 0 | 0 | 110.8 | V167 A173 V174 E175 | V167-E171 HydrophobicContact CG1-CG 4.14Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.47Å; V167-E171 WeakPolarHBondContact O-CG 3.44Å; V167-E171 PolarHBondContact O-N 3.17Å; E171-A173 PolarHBondContact O-N 2.87Å; E171-V174 PolarHBondContact O-N 3.13Å; E171-E175 WeakPolarHBondContact O-CB 3.42Å; E171-E175 PolarHBondContact O-N 3.39Å |
| 172 | R | 98.8 | Very high | 98.6 | Very high | 115 Ų | 115 | 109.8 Ų | 109.8 | 43% | 0.434 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -27 | 172.7 | -69.6 | -175.6 | -165.9 | 98.6 | -12.5 | 113.9 | E168 K176 | E168-R172 WeakPolarHBondContact O-CG 3.36Å; E168-R172 PolarHBondContact O-N 2.92Å; E168-R172 PolarHBondContact O-NH1 3.19Å; E168-R172 IonicContact OE1-CZ 3.39Å; E168-R172 IonicContact OE1-NH1 2.67Å; E168-R172 IonicContact OE1-NH2 3.46Å; E168-R172 PolarHBondContact OE1-NH2 3Å; E168-R172 IonicContact OE2-CZ 3.96Å; E168-R172 IonicContact OE2-NH1 2.71Å; E168-R172 PolarHBondContact OE2-NH1 3.45Å; E168-R172 IonicContact OE2-NH2 3.57Å; E168-R172 PolarHBondContact OE2-NH2 3.21Å; R172-K176 WeakPolarHBondContact O-CD 3.46Å; R172-K176 VanDerWaalsContact O-CG 3.26Å; R172-K176 WeakPolarHBondContact O-CG 3.45Å; R172-K176 PolarHBondContact O-N 3.18Å |
| 173 | A | 98.5 | Very high | 98.6 | Very high | 26 Ų | 26 | 108.3 Ų | 108.3 | 22% | 0.215 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -79.4 | -31.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W169 R170 E171 R177 | W169-A173 HydrophobicContact CZ3-CB 4.42Å; W169-A173 PolarHBondContact O-N 2.87Å; R170-A173 CarbonylContact O-C 3.54Å; R170-A173 WeakPolarHBondContact O-CA 3.44Å; R170-A173 WeakPolarHBondContact O-CB 3.34Å; R170-A173 PolarHBondContact O-N 3.3Å; E171-A173 PolarHBondContact O-N 2.87Å; A173-R177 WeakPolarHBondContact O-CD 3.36Å; A173-R177 WeakPolarHBondContact O-CG 3.38Å; A173-R177 PolarHBondContact O-N 2.8Å |
| 174 | V | 98.7 | Very high | 98.6 | Very high | 65 Ų | 65 | 105.1 Ų | 105.1 | 39% | 0.394 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.4 | -50.2 | 171.9 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | R170 E171 K176 R177 E178 | R170-V174 WeakPolarHBondContact O-CG2 3.44Å; R170-V174 PolarHBondContact O-N 3.49Å; E171-V174 PolarHBondContact O-N 3.13Å; V174-K176 PolarHBondContact O-N 3.39Å; V174-K176 VanDerWaalsContact O-N 3.13Å; V174-R177 CarbonylContact O-C 3.56Å; V174-R177 WeakPolarHBondContact O-CA 3.33Å; V174-R177 WeakPolarHBondContact O-CB 3.35Å; V174-R177 PolarHBondContact O-N 2.97Å; V174-E178 HydrophobicContact CG1-CG 4.17Å; V174-E178 WeakPolarHBondContact CG1-OE1 3.38Å; V174-E178 PolarHBondContact O-N 2.77Å |
| 175 | E | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 106 Ų | 106 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -30.4 | 179.4 | -166.3 | -145.4 | -168.4 | 0 | 0 | 112.8 | E171 E178 R179 | E171-E175 WeakPolarHBondContact O-CB 3.42Å; E171-E175 PolarHBondContact O-N 3.39Å; E175-E178 WeakPolarHBondContact CA-OE2 3.37Å; E175-R179 VanDerWaalsContact C-NH2 3.32Å; E175-R179 VanDerWaalsContact CD-CZ 3.45Å; E175-R179 PolarHBondContact O-N 3.28Å; E175-R179 PolarHBondContact O-NE 3.27Å; E175-R179 PolarHBondContact O-NH2 3.19Å; E175-R179 IonicContact OE1-CZ 3.8Å; E175-R179 IonicContact OE1-NH1 2.61Å; E175-R179 PolarHBondContact OE1-NH1 2.83Å; E175-R179 IonicContact OE1-NH2 2.93Å; E175-R179 IonicContact OE2-CZ 2.83Å; E175-R179 IonicContact OE2-NH1 2.68Å; E175-R179 PolarHBondContact OE2-NH1 3.05Å; E175-R179 VanDerWaalsContact OE2-NH1 3.15Å; E175-R179 IonicContact OE2-NH2 3.2Å; E175-R179 PolarHBondContact OE2-NH2 2.82Å |
| 176 | K | 98.8 | Very high | 98.6 | Very high | 145 Ų | 145 | 108.2 Ų | 108.2 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.2 | -34.2 | 170.6 | -78.1 | 174.8 | -179.5 | -178.8 | 0 | 113.5 | R172 V174 A180 | R172-K176 WeakPolarHBondContact O-CD 3.46Å; R172-K176 VanDerWaalsContact O-CG 3.26Å; R172-K176 WeakPolarHBondContact O-CG 3.45Å; R172-K176 PolarHBondContact O-N 3.18Å; V174-K176 PolarHBondContact O-N 3.39Å; V174-K176 VanDerWaalsContact O-N 3.13Å; K176-A180 PolarHBondContact O-N 3.47Å |
| 177 | R | 98.8 | Very high | 98.7 | Very high | 176 Ų | 176 | 108.5 Ų | 108.5 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.4 | -38.7 | 175.5 | -67.2 | 164.5 | 177.7 | -174.6 | -2.4 | 111 | A173 V174 A180 L181 | A173-R177 WeakPolarHBondContact O-CD 3.36Å; A173-R177 WeakPolarHBondContact O-CG 3.38Å; A173-R177 PolarHBondContact O-N 2.8Å; V174-R177 CarbonylContact O-C 3.56Å; V174-R177 WeakPolarHBondContact O-CA 3.33Å; V174-R177 WeakPolarHBondContact O-CB 3.35Å; V174-R177 PolarHBondContact O-N 2.97Å; R177-A180 PolarHBondContact O-N 2.88Å; R177-L181 WeakPolarHBondContact O-CG 3.3Å; R177-L181 PolarHBondContact O-N 3.15Å |
| 178 | E | 98.6 | Very high | 98.7 | Very high | 103 Ų | 103 | 109.2 Ų | 109.2 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -50.5 | 176.7 | -70.6 | 168.7 | 155.4 | 0 | 0 | 111.1 | V174 E175 A180 L181 E182 | V174-E178 HydrophobicContact CG1-CG 4.17Å; V174-E178 WeakPolarHBondContact CG1-OE1 3.38Å; V174-E178 PolarHBondContact O-N 2.77Å; E175-E178 WeakPolarHBondContact CA-OE2 3.37Å; E178-A180 VanDerWaalsContact C-N 3.3Å; E178-A180 PolarHBondContact O-N 2.9Å; E178-L181 WeakPolarHBondContact O-CA 3.38Å; E178-L181 WeakPolarHBondContact O-CB 3.47Å; E178-L181 PolarHBondContact O-N 2.83Å; E178-E182 PolarHBondContact O-N 2.68Å |
| 179 | R | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 110.1 Ų | 110.1 | 37% | 0.37 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.3 | -39.6 | 172.8 | -76.7 | 179.4 | -69.3 | -113.5 | -10 | 113.5 | E175 L181 E182 E183 | E175-R179 VanDerWaalsContact C-NH2 3.32Å; E175-R179 VanDerWaalsContact CD-CZ 3.45Å; E175-R179 PolarHBondContact O-N 3.28Å; E175-R179 PolarHBondContact O-NE 3.27Å; E175-R179 PolarHBondContact O-NH2 3.19Å; E175-R179 IonicContact OE1-CZ 3.8Å; E175-R179 IonicContact OE1-NH1 2.61Å; E175-R179 PolarHBondContact OE1-NH1 2.83Å; E175-R179 IonicContact OE1-NH2 2.93Å; E175-R179 IonicContact OE2-CZ 2.83Å; E175-R179 IonicContact OE2-NH1 2.68Å; E175-R179 PolarHBondContact OE2-NH1 3.05Å; E175-R179 VanDerWaalsContact OE2-NH1 3.15Å; E175-R179 IonicContact OE2-NH2 3.2Å; E175-R179 PolarHBondContact OE2-NH2 2.82Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.26Å; R179-E182 PolarHBondContact O-N 3.35Å; R179-E183 WeakPolarHBondContact O-CG 3.26Å; R179-E183 PolarHBondContact O-N 2.68Å |
| 180 | A | 98.6 | Very high | 98.7 | Very high | 48 Ų | 48 | 106.2 Ų | 106.2 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -32 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K176 R177 E178 V184 | K176-A180 PolarHBondContact O-N 3.47Å; R177-A180 PolarHBondContact O-N 2.88Å; E178-A180 VanDerWaalsContact C-N 3.3Å; E178-A180 PolarHBondContact O-N 2.9Å; A180-V184 VanDerWaalsContact O-CG2 3.29Å; A180-V184 WeakPolarHBondContact O-CG2 3.29Å; A180-V184 PolarHBondContact O-N 3.45Å; A180-V184 VanDerWaalsContact O-N 3.1Å |
| 181 | L | 98.7 | Very high | 98.6 | Very high | 119 Ų | 119 | 103.7 Ų | 103.7 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.7 | -39.8 | 172.5 | -68.4 | 170.6 | 0 | 0 | 0 | 111.8 | R177 E178 R179 E183 V184 E185 | R177-L181 WeakPolarHBondContact O-CG 3.3Å; R177-L181 PolarHBondContact O-N 3.15Å; E178-L181 WeakPolarHBondContact O-CA 3.38Å; E178-L181 WeakPolarHBondContact O-CB 3.47Å; E178-L181 PolarHBondContact O-N 2.83Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.26Å; L181-E183 VanDerWaalsContact C-N 3.34Å; L181-E183 PolarHBondContact O-N 3.1Å; L181-V184 PolarHBondContact O-N 3.41Å; L181-E185 PolarHBondContact O-N 3.3Å |
| 182 | E | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 103.5 Ų | 103.5 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 172.9 | -68.2 | -179.4 | 173.8 | 0 | 0 | 112.3 | E178 R179 R186 | E178-E182 PolarHBondContact O-N 2.68Å; R179-E182 PolarHBondContact O-N 3.35Å; E182-R186 VanDerWaalsContact O-CB 3.26Å; E182-R186 WeakPolarHBondContact O-CB 3.19Å; E182-R186 PolarHBondContact O-N 3.15Å |
| 183 | E | 98.7 | Very high | 98.6 | Very high | 135 Ų | 135 | 105.7 Ų | 105.7 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 174.2 | -74.8 | 175.7 | -172.9 | 0 | 0 | 111.6 | R179 L181 R186 A187 | R179-E183 WeakPolarHBondContact O-CG 3.26Å; R179-E183 PolarHBondContact O-N 2.68Å; L181-E183 VanDerWaalsContact C-N 3.34Å; L181-E183 PolarHBondContact O-N 3.1Å; E183-R186 PolarHBondContact O-N 2.91Å; E183-A187 WeakPolarHBondContact O-CB 3.3Å; E183-A187 PolarHBondContact O-N 2.9Å |
| 184 | V | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 108.4 Ų | 108.4 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 175.8 | 166.3 | 0 | 0 | 0 | 0 | 111.9 | A180 L181 A187 I188 | A180-V184 VanDerWaalsContact O-CG2 3.29Å; A180-V184 WeakPolarHBondContact O-CG2 3.29Å; A180-V184 PolarHBondContact O-N 3.45Å; A180-V184 VanDerWaalsContact O-N 3.1Å; L181-V184 PolarHBondContact O-N 3.41Å; V184-A187 PolarHBondContact O-N 2.86Å; V184-I188 HydrophobicContact CG1-CD1 3.79Å; V184-I188 VanDerWaalsContact O-CG1 3.3Å; V184-I188 WeakPolarHBondContact O-CG1 3.38Å; V184-I188 PolarHBondContact O-N 3.43Å |
| 185 | E | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 109 Ų | 109 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 175.4 | -178.3 | 172.1 | -162.9 | 0 | 0 | 111.2 | L181 A187 I188 L189 | L181-E185 PolarHBondContact O-N 3.3Å; E185-A187 VanDerWaalsContact C-N 3.34Å; E185-A187 PolarHBondContact O-N 3.28Å; E185-I188 WeakPolarHBondContact O-CB 3.46Å; E185-I188 PolarHBondContact O-N 3.32Å; E185-I188 VanDerWaalsContact O-N 3.15Å; E185-L189 HydrophobicContact CG-CD1 4.21Å; E185-L189 HydrophobicContact CG-CG 4.43Å; E185-L189 WeakPolarHBondContact O-CG 3.44Å; E185-L189 PolarHBondContact O-N 3.44Å |
| 186 | R | 98.8 | Very high | 98.5 | Very high | 169 Ų | 169 | 110.8 Ų | 110.8 | 64% | 0.638 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.5 | -44.7 | 175.6 | -169.6 | -174.9 | -51.5 | -108.7 | -3.1 | 111.7 | E182 E183 L189 E190 | E182-R186 VanDerWaalsContact O-CB 3.26Å; E182-R186 WeakPolarHBondContact O-CB 3.19Å; E182-R186 PolarHBondContact O-N 3.15Å; E183-R186 PolarHBondContact O-N 2.91Å; R186-L189 PolarHBondContact O-N 2.99Å; R186-E190 PolarHBondContact O-N 2.98Å |
| 187 | A | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 105.5 Ų | 105.5 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E183 V184 E185 E190 M191 | E183-A187 WeakPolarHBondContact O-CB 3.3Å; E183-A187 PolarHBondContact O-N 2.9Å; V184-A187 PolarHBondContact O-N 2.86Å; E185-A187 VanDerWaalsContact C-N 3.34Å; E185-A187 PolarHBondContact O-N 3.28Å; A187-E190 PolarHBondContact O-N 2.97Å; A187-M191 VanDerWaalsContact O-CB 3.29Å; A187-M191 WeakPolarHBondContact O-CB 3.42Å; A187-M191 PolarHBondContact O-N 3.16Å |
| 188 | I | 98.8 | Very high | 98.3 | Very high | 87 Ų | 87 | 102.7 Ų | 102.7 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 173.6 | -73.2 | 162 | 0 | 0 | 0 | 111.1 | V184 E185 K192 | V184-I188 HydrophobicContact CG1-CD1 3.79Å; V184-I188 VanDerWaalsContact O-CG1 3.3Å; V184-I188 WeakPolarHBondContact O-CG1 3.38Å; V184-I188 PolarHBondContact O-N 3.43Å; E185-I188 WeakPolarHBondContact O-CB 3.46Å; E185-I188 PolarHBondContact O-N 3.32Å; E185-I188 VanDerWaalsContact O-N 3.15Å; I188-K192 HydrophobicContact CG2-CD 3.67Å; I188-K192 HydrophobicContact CG2-CG 4.44Å; I188-K192 VanDerWaalsContact O-CB 3.3Å; I188-K192 WeakPolarHBondContact O-CB 3.44Å; I188-K192 WeakPolarHBondContact O-CD 3.35Å; I188-K192 WeakPolarHBondContact O-CG 3.47Å; I188-K192 PolarHBondContact O-N 3.09Å |
| 189 | L | 98.7 | Very high | 98.2 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 177.2 | -70.3 | 173.4 | 0 | 0 | 0 | 112 | E185 R186 K192 W193 | E185-L189 HydrophobicContact CG-CD1 4.21Å; E185-L189 HydrophobicContact CG-CG 4.43Å; E185-L189 WeakPolarHBondContact O-CG 3.44Å; E185-L189 PolarHBondContact O-N 3.44Å; R186-L189 PolarHBondContact O-N 2.99Å; L189-K192 PolarHBondContact O-N 3.21Å; L189-W193 PolarHBondContact O-N 3.28Å |
| 190 | E | 98.4 | Very high | 98 | Very high | 100 Ų | 100 | 106.1 Ų | 106.1 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 174.6 | -169 | -171.2 | 150.3 | 0 | 0 | 111.5 | R186 A187 K192 W193 K194 | R186-E190 PolarHBondContact O-N 2.98Å; A187-E190 PolarHBondContact O-N 2.97Å; E190-K192 PolarHBondContact O-N 2.86Å; E190-W193 WeakPolarHBondContact O-CB 3.26Å; E190-W193 PolarHBondContact O-N 3.3Å; E190-W193 VanDerWaalsContact O-N 3.08Å; E190-K194 PolarHBondContact O-N 2.86Å; E190-K194 WeakPolarHBondContact OE1-CE 3.28Å; E190-K194 IonicContact OE1-NZ 3.16Å; E190-K194 PolarHBondContact OE1-NZ 3.47Å |
| 191 | M | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 107.5 Ų | 107.5 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | 175.4 | -175.3 | 63.3 | 76.1 | 0 | 0 | 111.4 | A187 W193 K194 V195 | A187-M191 VanDerWaalsContact O-CB 3.29Å; A187-M191 WeakPolarHBondContact O-CB 3.42Å; A187-M191 PolarHBondContact O-N 3.16Å; M191-W193 PolarHBondContact O-N 3.42Å; M191-K194 PolarHBondContact O-N 2.96Å; M191-V195 HydrophobicContact CG-CG2 4.4Å; M191-V195 WeakPolarHBondContact O-CB 3.5Å; M191-V195 VanDerWaalsContact O-CG2 3.3Å; M191-V195 WeakPolarHBondContact O-CG2 3.5Å; M191-V195 PolarHBondContact O-N 2.95Å; M191-V195 HydrophobicContact SD-CG2 4.24Å |
| 192 | K | 98.5 | Very high | 97.3 | Very high | 113 Ų | 113 | 104.7 Ų | 104.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -26.2 | 175.8 | -75.9 | 166 | 69.1 | 178 | 0 | 112.8 | I188 L189 E190 R196 | I188-K192 HydrophobicContact CG2-CD 3.67Å; I188-K192 HydrophobicContact CG2-CG 4.44Å; I188-K192 VanDerWaalsContact O-CB 3.3Å; I188-K192 WeakPolarHBondContact O-CB 3.44Å; I188-K192 WeakPolarHBondContact O-CD 3.35Å; I188-K192 WeakPolarHBondContact O-CG 3.47Å; I188-K192 PolarHBondContact O-N 3.09Å; L189-K192 PolarHBondContact O-N 3.21Å; E190-K192 PolarHBondContact O-N 2.86Å; K192-R196 WeakPolarHBondContact O-CG 3.47Å; K192-R196 VanDerWaalsContact O-CZ 3.3Å; K192-R196 PolarHBondContact O-NH1 3.27Å |
| 193 | W | 98.4 | Very high | 96.8 | Very high | 161 Ų | 161 | 104 Ų | 104 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77 | -47.9 | 172.6 | 176.3 | 75.3 | 0 | 0 | 0 | 111.7 | L189 E190 M191 V195 R196 A197 | L189-W193 PolarHBondContact O-N 3.28Å; E190-W193 WeakPolarHBondContact O-CB 3.26Å; E190-W193 PolarHBondContact O-N 3.3Å; E190-W193 VanDerWaalsContact O-N 3.08Å; M191-W193 PolarHBondContact O-N 3.42Å; W193-V195 PolarHBondContact O-N 2.97Å; W193-R196 PolarHBondContact O-N 3.27Å; W193-R196 VanDerWaalsContact O-N 3.08Å; W193-A197 PolarHBondContact O-N 3.47Å |
| 194 | K | 98.2 | Very high | 96.2 | Very high | 83 Ų | 83 | 103.7 Ų | 103.7 | 36% | 0.361 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.3 | -49.7 | 176.2 | -70.2 | 175.1 | -176.8 | 168.9 | 0 | 112.1 | E190 M191 R196 A197 E198 | E190-K194 PolarHBondContact O-N 2.86Å; E190-K194 WeakPolarHBondContact OE1-CE 3.28Å; E190-K194 IonicContact OE1-NZ 3.16Å; E190-K194 PolarHBondContact OE1-NZ 3.47Å; M191-K194 PolarHBondContact O-N 2.96Å; K194-R196 PolarHBondContact O-N 2.9Å; K194-A197 PolarHBondContact O-N 2.97Å; K194-A197 VanDerWaalsContact O-N 3.09Å; K194-E198 WeakPolarHBondContact O-CB 3.22Å; K194-E198 WeakPolarHBondContact O-CG 3.3Å; K194-E198 PolarHBondContact O-N 3.08Å |
| 195 | V | 98.1 | Very high | 95.5 | Very high | 79 Ų | 79 | 105.6 Ų | 105.6 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -27.1 | 178.6 | 172 | 0 | 0 | 0 | 0 | 112.8 | M191 W193 K199 | M191-V195 HydrophobicContact CG-CG2 4.4Å; M191-V195 WeakPolarHBondContact O-CB 3.5Å; M191-V195 VanDerWaalsContact O-CG2 3.3Å; M191-V195 WeakPolarHBondContact O-CG2 3.5Å; M191-V195 PolarHBondContact O-N 2.95Å; M191-V195 HydrophobicContact SD-CG2 4.24Å; W193-V195 PolarHBondContact O-N 2.97Å; V195-K199 VanDerWaalsContact O-CB 3.28Å; V195-K199 WeakPolarHBondContact O-CB 3.39Å; V195-K199 PolarHBondContact O-N 2.91Å; V195-K199 VanDerWaalsContact O-N 3.16Å |
| 196 | R | 96.9 | Very high | 94.7 | Very high | 126 Ų | 126 | 107.2 Ų | 107.2 | 48% | 0.475 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.1 | -48.1 | 171.3 | -77 | -168.5 | -58 | -85.7 | 5.7 | 111.6 | K192 W193 K194 E198 K199 E200 | K192-R196 WeakPolarHBondContact O-CG 3.47Å; K192-R196 VanDerWaalsContact O-CZ 3.3Å; K192-R196 PolarHBondContact O-NH1 3.27Å; W193-R196 PolarHBondContact O-N 3.27Å; W193-R196 VanDerWaalsContact O-N 3.08Å; K194-R196 PolarHBondContact O-N 2.9Å; R196-E198 PolarHBondContact O-N 3.17Å; R196-K199 WeakPolarHBondContact O-CB 3.29Å; R196-K199 PolarHBondContact O-N 3.46Å; R196-E200 WeakPolarHBondContact O-CG 3.29Å; R196-E200 PolarHBondContact O-N 3.03Å |
| 197 | A | 97 | Very high | 93.6 | Very high | 35 Ų | 35 | 104.9 Ų | 104.9 | 29% | 0.289 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W193 K194 K199 E200 V201 | W193-A197 PolarHBondContact O-N 3.47Å; K194-A197 PolarHBondContact O-N 2.97Å; K194-A197 VanDerWaalsContact O-N 3.09Å; A197-K199 PolarHBondContact O-N 3.07Å; A197-E200 PolarHBondContact O-N 2.88Å; A197-V201 WeakPolarHBondContact O-CG2 3.49Å; A197-V201 PolarHBondContact O-N 3.46Å |
| 198 | E | 96.4 | Very high | 92 | Very high | 117 Ų | 117 | 107.6 Ų | 107.6 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 173.8 | -71.9 | 167.9 | -172.5 | 0 | 0 | 111.9 | K194 R196 V201 C202 | K194-E198 WeakPolarHBondContact O-CB 3.22Å; K194-E198 WeakPolarHBondContact O-CG 3.3Å; K194-E198 PolarHBondContact O-N 3.08Å; R196-E198 PolarHBondContact O-N 3.17Å; E198-V201 PolarHBondContact O-N 2.61Å; E198-C202 WeakPolarHBondContact O-CB 3.35Å; E198-C202 PolarHBondContact O-N 3.25Å; E198-C202 PolarHBondContact O-SG 3.26Å |
| 199 | K | 96.6 | Very high | 90.1 | Very high | 144 Ų | 144 | 106.6 Ų | 106.6 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 175.9 | -177.8 | -173.6 | 169 | -170.8 | 0 | 112.1 | V195 R196 A197 Q203 | V195-K199 VanDerWaalsContact O-CB 3.28Å; V195-K199 WeakPolarHBondContact O-CB 3.39Å; V195-K199 PolarHBondContact O-N 2.91Å; V195-K199 VanDerWaalsContact O-N 3.16Å; R196-K199 WeakPolarHBondContact O-CB 3.29Å; R196-K199 PolarHBondContact O-N 3.46Å; A197-K199 PolarHBondContact O-N 3.07Å; K199-Q203 WeakPolarHBondContact O-CB 3.36Å; K199-Q203 PolarHBondContact O-N 3.08Å |
| 200 | E | 94.9 | Very high | 88.1 | Confident | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 178.4 | -73.6 | 160.5 | -154.7 | 0 | 0 | 110.9 | R196 A197 Q203 Q204 | R196-E200 WeakPolarHBondContact O-CG 3.29Å; R196-E200 PolarHBondContact O-N 3.03Å; A197-E200 PolarHBondContact O-N 2.88Å; E200-Q203 PolarHBondContact O-N 3.12Å; E200-Q204 PolarHBondContact O-N 3.08Å |
| 201 | V | 93.3 | Very high | 86.1 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -52.6 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A197 E198 Q203 Q204 E205 | A197-V201 WeakPolarHBondContact O-CG2 3.49Å; A197-V201 PolarHBondContact O-N 3.46Å; E198-V201 PolarHBondContact O-N 2.61Å; V201-Q203 PolarHBondContact O-N 3.29Å; V201-Q203 VanDerWaalsContact O-N 3.09Å; V201-Q204 PolarHBondContact O-N 3.35Å; V201-Q204 VanDerWaalsContact O-N 3.1Å; V201-E205 HydrophobicContact CG1-CG 4.43Å; V201-E205 WeakPolarHBondContact O-CG 3.32Å; V201-E205 PolarHBondContact O-N 3.1Å |
| 202 | C | 88.6 | Confident | 84.1 | Confident | 60 Ų | 60 | 104.8 Ų | 104.8 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -8.6 | 179.3 | -71.5 | 0 | 0 | 0 | 0 | 114.4 | E198 K206 | E198-C202 WeakPolarHBondContact O-CB 3.35Å; E198-C202 PolarHBondContact O-N 3.25Å; E198-C202 PolarHBondContact O-SG 3.26Å; C202-K206 VanDerWaalsContact O-CD 3.22Å; C202-K206 WeakPolarHBondContact O-CD 3.48Å; C202-K206 WeakPolarHBondContact O-CE 3.41Å; C202-K206 WeakPolarHBondContact O-CG 3.45Å |
| 203 | Q | 89.2 | Confident | 82 | Confident | 98 Ų | 98 | 106.3 Ų | 106.3 | 46% | 0.458 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -89.6 | -45.7 | 168.3 | -179.1 | 166.5 | -19.1 | 0 | 0 | 110.7 | K199 E200 V201 E205 K206 E207 | K199-Q203 WeakPolarHBondContact O-CB 3.36Å; K199-Q203 PolarHBondContact O-N 3.08Å; E200-Q203 PolarHBondContact O-N 3.12Å; V201-Q203 PolarHBondContact O-N 3.29Å; V201-Q203 VanDerWaalsContact O-N 3.09Å; Q203-E205 VanDerWaalsContact C-N 3.29Å; Q203-E205 PolarHBondContact O-N 2.96Å; Q203-K206 WeakPolarHBondContact O-CB 2.97Å; Q203-K206 PolarHBondContact O-N 2.98Å; Q203-E207 VanDerWaalsContact CG-OE1 3.29Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.35Å; Q203-E207 PolarHBondContact NE2-OE1 3.46Å; Q203-E207 PolarHBondContact O-N 3.26Å; Q203-E207 VanDerWaalsContact O-N 3.12Å |
| 204 | Q | 85.9 | Confident | 80.2 | Confident | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.6 | -40.9 | 174.5 | -168.3 | 176.7 | 26.3 | 0 | 0 | 112.1 | E200 V201 K206 E207 L208 | E200-Q204 PolarHBondContact O-N 3.08Å; V201-Q204 PolarHBondContact O-N 3.35Å; V201-Q204 VanDerWaalsContact O-N 3.1Å; Q204-K206 PolarHBondContact O-N 3.09Å; Q204-E207 PolarHBondContact O-N 2.9Å; Q204-L208 HydrophobicContact CG-CD1 4.48Å; Q204-L208 WeakPolarHBondContact O-CG 3.11Å; Q204-L208 PolarHBondContact O-N 2.92Å; Q204-L208 VanDerWaalsContact O-N 3.08Å |
| 205 | E | 83.7 | Confident | 78.1 | Confident | 122 Ų | 122 | 106.2 Ų | 106.2 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.8 | -21.7 | 174 | -73 | -173.2 | 137.5 | 0 | 0 | 114.3 | V201 Q203 P209 | V201-E205 HydrophobicContact CG1-CG 4.43Å; V201-E205 WeakPolarHBondContact O-CG 3.32Å; V201-E205 PolarHBondContact O-N 3.1Å; Q203-E205 VanDerWaalsContact C-N 3.29Å; Q203-E205 PolarHBondContact O-N 2.96Å; E205-P209 WeakPolarHBondContact O-CD 3.47Å |
| 206 | K | 82.3 | Confident | 76.1 | Confident | 157 Ų | 157 | 111 Ų | 111 | 68% | 0.683 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -88.6 | -27.8 | 176 | -72.2 | 170.7 | -174.5 | 161.9 | 0 | 112.7 | C202 Q203 Q204 | C202-K206 VanDerWaalsContact O-CD 3.22Å; C202-K206 WeakPolarHBondContact O-CD 3.48Å; C202-K206 WeakPolarHBondContact O-CE 3.41Å; C202-K206 WeakPolarHBondContact O-CG 3.45Å; Q203-K206 WeakPolarHBondContact O-CB 2.97Å; Q203-K206 PolarHBondContact O-N 2.98Å; Q204-K206 PolarHBondContact O-N 3.09Å |
| 207 | E | 74.9 | Confident | 73.9 | Confident | 120 Ų | 120 | 114.6 Ų | 114.6 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.3 | -32.4 | 177.7 | -68.3 | 172.5 | -163.2 | 0 | 0 | 111.5 | Q203 Q204 | Q203-E207 VanDerWaalsContact CG-OE1 3.29Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.35Å; Q203-E207 PolarHBondContact NE2-OE1 3.46Å; Q203-E207 PolarHBondContact O-N 3.26Å; Q203-E207 VanDerWaalsContact O-N 3.12Å; Q204-E207 PolarHBondContact O-N 2.9Å |
| 208 | L | 64 | Low | 71.9 | Confident | 112 Ų | 112 | 122.3 Ų | 122.3 | 59% | 0.586 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -52.8 | 176 | -82.7 | 164.1 | 0 | 0 | 0 | 116.3 | Q204 A210 A211 | Q204-L208 HydrophobicContact CG-CD1 4.48Å; Q204-L208 WeakPolarHBondContact O-CG 3.11Å; Q204-L208 PolarHBondContact O-N 2.92Å; Q204-L208 VanDerWaalsContact O-N 3.08Å; L208-A210 PolarHBondContact O-N 2.88Å; L208-A211 PolarHBondContact O-N 3.34Å |
| 209 | P | 59.9 | Low | 70.7 | Confident | 65 Ų | 65 | 122.6 Ų | 122.6 | 42% | 0.422 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -67.3 | -21.7 | -175.3 | 25.1 | -35.3 | 0 | 0 | 0 | 113.8 | E205 A211 V212 H213 | E205-P209 WeakPolarHBondContact O-CD 3.47Å; P209-A211 PolarHBondContact O-N 2.99Å; P209-V212 PolarHBondContact O-N 3.28Å; P209-H213 PolarHBondContact O-N 3.17Å |
| 210 | A | 56.1 | Low | 69.4 | Low | 82 Ų | 82 | 121.4 Ų | 121.4 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -63.3 | -27.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L208 | L208-A210 PolarHBondContact O-N 2.88Š|
| 211 | A | 56.5 | Low | 67.9 | Low | 83 Ų | 83 | 121 Ų | 121 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -80.7 | -19.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L208 P209 | L208-A211 PolarHBondContact O-N 3.34Å; P209-A211 PolarHBondContact O-N 2.99Å |
| 212 | V | 57.2 | Low | 66.5 | Low | 109 Ų | 109 | 123.6 Ų | 123.6 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -23.5 | -170.7 | -173 | 0 | 0 | 0 | 0 | 112.6 | P209 A214 | P209-V212 PolarHBondContact O-N 3.28Å; V212-A214 PolarHBondContact O-N 3.31Å |
| 213 | H | 54.5 | Low | 65.1 | Low | 146 Ų | 146 | 127.6 Ų | 127.6 | 68% | 0.676 | 68% | 0.679 | S | S | * | * | trans | -83.8 | 14.9 | 178.6 | -90.2 | 75.3 | 0 | 0 | 0 | 115.2 | P209 F215 | P209-H213 PolarHBondContact O-N 3.17Å; H213-F215 PolarHBondContact O-N 3.26Å | ||
| 214 | A | 59.2 | Low | 63.5 | Low | 81 Ų | 81 | 129.5 Ų | 129.5 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | trans | -74.4 | 60.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V212 H216 | V212-A214 PolarHBondContact O-N 3.31Å; A214-H216 PolarHBondContact O-N 3.23Å | ||
| 215 | F | 54.4 | Low | 61.9 | Low | 161 Ų | 161 | 129.6 Ų | 129.6 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -64.3 | 118.5 | 177.1 | -90.8 | -87.3 | 0 | 0 | 0 | 110.7 | H213 F217 | H213-F215 PolarHBondContact O-N 3.26Å; F215-F217 PolarHBondContact O-N 3.29Å | ||
| 216 | H | 56.5 | Low | 60.2 | Low | 179 Ų | 179 | 130.2 Ų | 130.2 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | -62.4 | 120.9 | 165 | -80.5 | -95.7 | 0 | 0 | 0 | 109.6 | A214 | A214-H216 PolarHBondContact O-N 3.23Š| ||
| 217 | F | 51 | Low | 58.3 | Low | 202 Ų | 202 | 128 Ų | 128 | 89% | 0.886 | 71% | 0.712 | S | S | * | * | trans | -116.6 | 114.7 | 169.1 | -143.4 | -80.1 | 0 | 0 | 0 | 107.7 | F215 | F215-F217 PolarHBondContact O-N 3.29Š| ||
| 218 | V | 55.8 | Low | 56.8 | Low | 196 Ų | 196 | 128.7 Ų | 128.7 | 100% | 1.188 | 73% | 0.726 | S | S | * | * | trans | -143.6 | 0 | -179.5 | -178.5 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 218 of 218 residues in 41.8 ms
(Link to these results)