| 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 | 42.5 | Very low | 47.6 | Very low | 244 Ų | 244 | 151.5 Ų | 151.5 | 100% | 1.202 | 84% | 0.842 | S | S | * | * | 0 | 101 | 0 | -79.1 | 163.5 | 145.8 | 0 | 0 | 106.3 | |||||
| 2 | A | 43.3 | Very low | 46.5 | Very low | 99 Ų | 99 | 156.3 Ų | 156.3 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | cis | -137.5 | 135.5 | 22.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | D | 42.8 | Very low | 46.4 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 78% | 0.781 | 84% | 0.84 | S | S | * | * | trans | -69.4 | 133.6 | 162.3 | -62 | -86.4 | 0 | 0 | 0 | 108.4 | ||||
| 4 | A | 47.1 | Very low | 46.1 | Very low | 102 Ų | 102 | 157.2 Ų | 157.2 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | trans | -98.5 | 96.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | D6 | A4-D6 PolarHBondContact O-N 3.31Å; A4-D6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | D | 53.7 | Low | 45.6 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 76% | 0.759 | 85% | 0.845 | S | S | * | * | trans | -68.2 | 102.6 | 175.8 | -81.4 | -54.7 | 0 | 0 | 0 | 111 | W7 | D5-W7 PolarHBondContact O-N 3.39Š| ||
| 6 | D | 55.8 | Low | 45.4 | Very low | 142 Ų | 142 | 155.8 Ų | 155.8 | 76% | 0.759 | 84% | 0.84 | S | S | * | * | 20 | 92.4 | 115.3 | -157.3 | 40.3 | 0 | 0 | 0 | 115.9 | A4 | A4-D6 PolarHBondContact O-N 3.31Å; A4-D6 VanDerWaalsContact O-N 3.16Å | |||
| 7 | W | 54.4 | Low | 45.3 | Very low | 246 Ų | 246 | 151.7 Ų | 151.7 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | -140.9 | 37.2 | 175 | -129 | 81.7 | 0 | 0 | 0 | 113.4 | D5 | D5-W7 PolarHBondContact O-N 3.39Š| ||
| 8 | D | 49.6 | Very low | 45.9 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -151.7 | 74.7 | 173 | -144.7 | 4.2 | 0 | 0 | 0 | 112.6 | ||||
| 9 | A | 41.3 | Very low | 45.5 | Very low | 86 Ų | 86 | 148.9 Ų | 148.9 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | -169.2 | 99.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 10 | D | 46.8 | Very low | 45.3 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | 20.5 | 109.1 | 140.5 | -66 | -45.5 | 0 | 0 | 0 | 120.3 | ||||
| 11 | N | 46.3 | Very low | 45.3 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -156.8 | 83 | 143.8 | -165.7 | 82.6 | 0 | 0 | 0 | 112.2 | ||||
| 12 | F | 34 | Very low | 45 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -139.3 | 88.2 | 150.1 | -155.1 | -101.7 | 0 | 0 | 0 | 110.4 | ||||
| 13 | E | 45.4 | Very low | 45.1 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 142.4 | 177.3 | -75.9 | 175.5 | 137.5 | 0 | 0 | 112.8 | ||||
| 14 | L | 41.8 | Very low | 45.4 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -63.1 | 131.6 | 167.1 | -76.4 | 131.4 | 0 | 0 | 0 | 111.3 | ||||
| 15 | D | 39.4 | Very low | 45.4 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -136.3 | 148.6 | 158.3 | -117.9 | -24.3 | 0 | 0 | 0 | 112.1 | ||||
| 16 | V | 41.7 | Very low | 44.9 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -112.5 | 131 | -140.4 | -171.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 17 | A | 44.6 | Very low | 44.6 | Very low | 86 Ų | 86 | 151.1 Ų | 151.1 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 78.6 | 165.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 18 | P | 54.9 | Low | 44.1 | Very low | 112 Ų | 112 | 151 Ų | 151 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | -133.8 | 171.5 | -62 | 37.5 | -21.4 | 0 | 0 | 0 | 113.1 | |||||
| 19 | I | 39.5 | Very low | 43.7 | Very low | 139 Ų | 139 | 153 Ų | 153 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | 156.1 | 114.1 | 137.9 | -80.2 | 162.4 | 0 | 0 | 0 | 114.6 | ||||
| 20 | K | 41 | Very low | 43.6 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | 74.6 | 102.1 | 142 | -62.6 | 172 | -163.6 | 170.6 | 0 | 122.5 | ||||
| 21 | K | 46.1 | Very low | 43.4 | Very low | 209 Ų | 209 | 153.1 Ų | 153.1 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | 15.9 | 125.7 | 128.8 | -61.7 | -178.9 | 180 | -179 | 0 | 118.3 | |||||
| 22 | A | 36 | Very low | 43.7 | Very low | 91 Ų | 91 | 154.2 Ų | 154.2 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | -176.6 | 123 | 123.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 23 | V | 45 | Very low | 44 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | 72.6 | 100.1 | 142.1 | -171 | 0 | 0 | 0 | 0 | 117.8 | L25 | V23-L25 HydrophobicContact CG1-CG 4.36Å; V23-L25 PolarHBondContact O-N 3.09Å | ||
| 24 | V | 50 | Low | 44 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -56.9 | 112.9 | 153.7 | 175.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 25 | L | 45.3 | Very low | 44.3 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | -99.2 | 88.2 | 164 | -91.3 | 161.4 | 0 | 0 | 0 | 107.2 | V23 | V23-L25 HydrophobicContact CG1-CG 4.36Å; V23-L25 PolarHBondContact O-N 3.09Å | ||
| 26 | D | 44.8 | Very low | 44.8 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -62.2 | 128.5 | 163.4 | -168.5 | 12.5 | 0 | 0 | 0 | 108.5 | ||||
| 27 | K | 48.9 | Very low | 45.2 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -117.1 | 69.5 | -160.2 | -155.6 | 175.4 | -175.3 | -178.8 | 0 | 107.9 | ||||
| 28 | W | 43.6 | Very low | 45.3 | Very low | 244 Ų | 244 | 154.2 Ų | 154.2 | 92% | 0.924 | 79% | 0.793 | S | S | * | * | trans | -135.4 | 87.6 | 165.5 | -76.1 | 90.2 | 0 | 0 | 0 | 108 | ||||
| 29 | E | 41.1 | Very low | 45 | Very low | 201 Ų | 201 | 156.3 Ų | 156.3 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -101.7 | 105.9 | 177.5 | -172 | 177.5 | -157.9 | 0 | 0 | 107 | ||||
| 30 | G | 40.7 | Very low | 45.3 | Very low | 71 Ų | 71 | 154 Ų | 154 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 88.8 | 89.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 31 | E | 40.8 | Very low | 46.2 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -154 | 82 | 134.9 | -153 | 165.3 | -170.6 | 0 | 0 | 107.9 | E33 | E31-E33 PolarHBondContact O-N 3.35Å; E31-E33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | D | 53.5 | Low | 46 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -60.2 | 100.5 | 164 | -70.8 | -47.3 | 0 | 0 | 0 | 108.6 | ||||
| 33 | E | 40.2 | Very low | 46.2 | Very low | 171 Ų | 171 | 157 Ų | 157 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -144.6 | 65.5 | 154.9 | -140 | 168.1 | -149.7 | 0 | 0 | 108.6 | E31 E35 | E31-E33 PolarHBondContact O-N 3.35Å; E31-E33 VanDerWaalsContact O-N 3.11Å; E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 2.88Å | ||
| 34 | D | 44.5 | Very low | 46.1 | Very low | 147 Ų | 147 | 159.9 Ų | 159.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 86 | 164.5 | -72.4 | -42.3 | 0 | 0 | 0 | 109.1 | D36 | D34-D36 PolarHBondContact O-N 2.87Å; D34-D36 VanDerWaalsContact O-N 3.13Å | ||
| 35 | E | 49.6 | Very low | 45.4 | Very low | 182 Ų | 182 | 163.1 Ų | 163.1 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -81.7 | 58.2 | 156.3 | -135.4 | 173.8 | -152 | 0 | 0 | 108.3 | E33 V37 | E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 2.88Å; E35-V37 VanDerWaalsContact C-N 3.27Å; E35-V37 PolarHBondContact O-N 3.23Å | ||
| 36 | D | 49.5 | Very low | 44.8 | Very low | 140 Ų | 140 | 164.1 Ų | 164.1 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 92.1 | 166.7 | -162.3 | 3.5 | 0 | 0 | 0 | 106.5 | D34 K38 | D34-D36 PolarHBondContact O-N 2.87Å; D34-D36 VanDerWaalsContact O-N 3.13Å; D36-K38 PolarHBondContact O-N 2.74Å | ||
| 37 | V | 49.4 | Very low | 44.4 | Very low | 113 Ų | 113 | 164.6 Ų | 164.6 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -54.4 | 89.8 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | E35 D39 | E35-V37 VanDerWaalsContact C-N 3.27Å; E35-V37 PolarHBondContact O-N 3.23Å; V37-D39 PolarHBondContact O-N 3.02Å | ||
| 38 | K | 47.4 | Very low | 43.7 | Very low | 159 Ų | 159 | 162.5 Ų | 162.5 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -71.2 | 98.9 | -179.5 | -158 | 173.3 | 177.4 | 42 | 0 | 108.4 | D36 N40 | D36-K38 PolarHBondContact O-N 2.74Å; K38-N40 HydrophobicContact CD-CB 4.23Å; K38-N40 WeakPolarHBondContact CE-OD1 3.3Å; K38-N40 HydrophobicContact CG-CB 3.88Å; K38-N40 WeakPolarHBondContact CG-OD1 3.38Å; K38-N40 PolarHBondContact NZ-OD1 3.27Å; K38-N40 PolarHBondContact O-N 2.9Å | ||
| 39 | D | 48 | Very low | 43.1 | Very low | 157 Ų | 157 | 160.2 Ų | 160.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -56.7 | 62.5 | 157.6 | -85.5 | -37.2 | 0 | 0 | 0 | 110.8 | V37 | V37-D39 PolarHBondContact O-N 3.02Š| ||
| 40 | N | 46.4 | Very low | 42.7 | Very low | 91 Ų | 91 | 155.2 Ų | 155.2 | 49% | 0.487 | 78% | 0.782 | S | S | . | * | trans | -112.5 | 44.2 | 173.9 | -106.7 | 90.1 | 0 | 0 | 0 | 110.7 | K38 | K38-N40 HydrophobicContact CD-CB 4.23Å; K38-N40 WeakPolarHBondContact CE-OD1 3.3Å; K38-N40 HydrophobicContact CG-CB 3.88Å; K38-N40 WeakPolarHBondContact CG-OD1 3.38Å; K38-N40 PolarHBondContact NZ-OD1 3.27Å; K38-N40 PolarHBondContact O-N 2.9Å | ||
| 41 | W | 60.5 | Low | 42.3 | Very low | 250 Ų | 250 | 161 Ų | 161 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -99.9 | 12.1 | 178.7 | -134.5 | 67.3 | 0 | 0 | 0 | 114.9 | ||
| 42 | D | 41.8 | Very low | 42 | Very low | 152 Ų | 152 | 156 Ų | 156 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -168.1 | 57.1 | 166.8 | -149.9 | 19.2 | 0 | 0 | 0 | 113.8 | ||
| 43 | D | 39.7 | Very low | 41.2 | Very low | 142 Ų | 142 | 158.2 Ų | 158.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -123.7 | 114.5 | 173.1 | -133 | -0.5 | 0 | 0 | 0 | 112.6 | ||||
| 44 | E | 43.4 | Very low | 40.8 | Very low | 183 Ų | 183 | 159.8 Ų | 159.8 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -66.2 | 125.9 | -178.2 | -65.5 | 176.2 | 135.7 | 0 | 0 | 111.1 | ||||
| 45 | E | 35.2 | Very low | 40.4 | Very low | 203 Ų | 203 | 157.7 Ų | 157.7 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | -99.1 | 101.6 | 174.1 | -164 | 179.4 | -166.6 | 0 | 0 | 110.7 | ||||
| 46 | E | 32.2 | Very low | 40.2 | Very low | 178 Ų | 178 | 158.4 Ų | 158.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -126.8 | 125.7 | 160.8 | -147.3 | -177.7 | -169.4 | 0 | 0 | 111.5 | ||||
| 47 | E | 36.1 | Very low | 40.1 | Very low | 142 Ų | 142 | 156.3 Ų | 156.3 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | 74 | 133.4 | 168.8 | -57.8 | -153.5 | 140.2 | 0 | 0 | 118.8 | ||||
| 48 | K | 34.7 | Very low | 40.2 | Very low | 147 Ų | 147 | 157.8 Ų | 157.8 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | cis | -171.9 | 144.4 | 11.2 | -118.1 | 170.1 | -172.7 | 141.9 | 0 | 111.4 | ||||
| 49 | K | 29.7 | Very low | 40.3 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 65.7 | 118.5 | 145 | -76.6 | -179.7 | 174.6 | -179.1 | 0 | 122.2 | ||||
| 50 | A | 32.5 | Very low | 40.5 | Very low | 97 Ų | 97 | 152.1 Ų | 152.1 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | -175.2 | 128.4 | 100.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 51 | E | 33 | Very low | 40.8 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | 46.6 | 110.2 | 150.5 | -80.8 | -178.6 | 124.9 | 0 | 0 | 125.9 | ||||
| 52 | A | 35.5 | Very low | 40.5 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | 88.4 | 111.7 | 113.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 53 | K | 35 | Very low | 41.2 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | 76.1 | 120.1 | 141.1 | -66.3 | 175.8 | -179.5 | 173.1 | 0 | 117 | ||||
| 54 | K | 32.6 | Very low | 42.1 | Very low | 205 Ų | 205 | 148.5 Ų | 148.5 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | -178.1 | 164.8 | 57.4 | -121.9 | 176.6 | -175.4 | -179.5 | 0 | 111.1 | |||||
| 55 | A | 35.4 | Very low | 42.7 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | trans | 95.7 | 92.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 56 | E | 45 | Very low | 44 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -62.9 | 129.4 | 163.4 | -66.9 | 164.5 | 124.3 | 0 | 0 | 112 | ||||
| 57 | A | 47.4 | Very low | 45.7 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | trans | 174.4 | 43 | 146.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 58 | K | 52.1 | Low | 47.3 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 63% | 0.63 | 70% | 0.697 | S | S | * | * | trans | -140.7 | 30 | 177.6 | -68.9 | -166.3 | 179.6 | -176.4 | 0 | 115.2 | K62 | K58-K62 WeakPolarHBondContact O-CG 3.4Å; K58-K62 PolarHBondContact O-N 3.06Å | ||
| 59 | V | 50.6 | Low | 49.1 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -79.5 | -21.6 | -176.8 | -173.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 60 | S | 51.1 | Low | 51.3 | Low | 88 Ų | 88 | 129.8 Ų | 129.8 | 62% | 0.615 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -82.6 | -28.8 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 61 | E | 53.8 | Low | 53.4 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 53% | 0.528 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -79.9 | -37.1 | 176.8 | -74 | -111.8 | 124.3 | 0 | 0 | 112.3 | K63 K64 L65 | E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 2.97Å; E61-K64 PolarHBondContact O-N 3.09Å; E61-L65 HydrophobicContact CB-CD1 4.49Å; E61-L65 WeakPolarHBondContact O-CB 3.4Å; E61-L65 WeakPolarHBondContact O-CD1 3.45Å; E61-L65 VanDerWaalsContact O-CG 3.23Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.87Å |
| 62 | K | 54.1 | Low | 55.4 | Low | 150 Ų | 150 | 129.5 Ų | 129.5 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.5 | -32.1 | 177.7 | -73.8 | -177.4 | 178.2 | -170.2 | 0 | 113.3 | K58 A66 | K58-K62 WeakPolarHBondContact O-CG 3.4Å; K58-K62 PolarHBondContact O-N 3.06Å; K62-A66 VanDerWaalsContact O-CB 3.3Å; K62-A66 WeakPolarHBondContact O-CB 3.02Å; K62-A66 PolarHBondContact O-N 3.46Å; K62-A66 VanDerWaalsContact O-N 3.09Å |
| 63 | K | 57 | Low | 57.5 | Low | 153 Ų | 153 | 131.5 Ų | 131.5 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.6 | -40.8 | 173.7 | -68.3 | -173.3 | 178.9 | -174.4 | 0 | 112.2 | E61 E67 | E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 2.97Å; K63-E67 WeakPolarHBondContact O-CB 3.45Å; K63-E67 PolarHBondContact O-N 2.74Å |
| 64 | K | 57.5 | Low | 59.6 | Low | 143 Ų | 143 | 126.1 Ų | 126.1 | 62% | 0.622 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.3 | -34.7 | 175.6 | -70.2 | -179.8 | 179.1 | -177.5 | 0 | 113.2 | E61 K68 | E61-K64 PolarHBondContact O-N 3.09Å; K64-K68 VanDerWaalsContact O-CB 3.29Å; K64-K68 WeakPolarHBondContact O-CB 3.23Å; K64-K68 PolarHBondContact O-N 2.97Å |
| 65 | L | 56.3 | Low | 61.9 | Low | 94 Ų | 94 | 124.3 Ų | 124.3 | 49% | 0.492 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.9 | -43 | 175.8 | -70.1 | 163.1 | 0 | 0 | 0 | 111.5 | E61 E67 K68 I69 | E61-L65 HydrophobicContact CB-CD1 4.49Å; E61-L65 WeakPolarHBondContact O-CB 3.4Å; E61-L65 WeakPolarHBondContact O-CD1 3.45Å; E61-L65 VanDerWaalsContact O-CG 3.23Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.87Å; L65-E67 VanDerWaalsContact C-N 3.33Å; L65-E67 PolarHBondContact O-N 3.33Å; L65-K68 PolarHBondContact O-N 3.33Å; L65-I69 WeakPolarHBondContact O-CD1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.44Å |
| 66 | A | 63.1 | Low | 64 | Low | 46 Ų | 46 | 124.6 Ų | 124.6 | 38% | 0.38 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.5 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K62 K70 | K62-A66 VanDerWaalsContact O-CB 3.3Å; K62-A66 WeakPolarHBondContact O-CB 3.02Å; K62-A66 PolarHBondContact O-N 3.46Å; K62-A66 VanDerWaalsContact O-N 3.09Å; A66-K70 WeakPolarHBondContact O-CG 3.21Å; A66-K70 PolarHBondContact O-N 2.96Å; A66-K70 VanDerWaalsContact O-N 3.09Å |
| 67 | E | 68.2 | Low | 65.7 | Low | 142 Ų | 142 | 122.3 Ų | 122.3 | 66% | 0.664 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.5 | -39.3 | 175.1 | -161.9 | 170.5 | 176.9 | 0 | 0 | 111.7 | K63 L65 K70 E71 | K63-E67 WeakPolarHBondContact O-CB 3.45Å; K63-E67 PolarHBondContact O-N 2.74Å; L65-E67 VanDerWaalsContact C-N 3.33Å; L65-E67 PolarHBondContact O-N 3.33Å; E67-K70 PolarHBondContact O-N 3.35Å; E67-E71 WeakPolarHBondContact O-CB 3.45Å; E67-E71 PolarHBondContact O-N 3.16Å |
| 68 | K | 69.2 | Low | 67.3 | Low | 127 Ų | 127 | 124.2 Ų | 124.2 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.9 | -28.7 | 176.4 | -162.2 | 169.7 | -171.1 | 175.7 | 0 | 113.8 | K64 L65 K72 | K64-K68 VanDerWaalsContact O-CB 3.29Å; K64-K68 WeakPolarHBondContact O-CB 3.23Å; K64-K68 PolarHBondContact O-N 2.97Å; L65-K68 PolarHBondContact O-N 3.33Å; K68-K72 WeakPolarHBondContact O-CG 3.36Å; K68-K72 PolarHBondContact O-N 2.9Å; K68-K72 VanDerWaalsContact O-N 3.13Å |
| 69 | I | 72.2 | Confident | 68.7 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 55% | 0.554 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.7 | -47.5 | 172.3 | -69.3 | 162.2 | 0 | 0 | 0 | 109.7 | L65 E71 K72 E73 | L65-I69 WeakPolarHBondContact O-CD1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.44Å; I69-E71 VanDerWaalsContact C-N 3.27Å; I69-E71 PolarHBondContact O-N 2.84Å; I69-K72 PolarHBondContact O-N 3.17Å; I69-K72 VanDerWaalsContact O-N 3.17Å; I69-E73 WeakPolarHBondContact O-CB 3.36Å; I69-E73 PolarHBondContact O-N 3.48Å |
| 70 | K | 76.1 | Confident | 69.8 | Low | 137 Ų | 137 | 122.2 Ų | 122.2 | 60% | 0.596 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.4 | -34.7 | 175.4 | -72 | 179.7 | 179.8 | -171.7 | 0 | 112.8 | A66 E67 N74 | A66-K70 WeakPolarHBondContact O-CG 3.21Å; A66-K70 PolarHBondContact O-N 2.96Å; A66-K70 VanDerWaalsContact O-N 3.09Å; E67-K70 PolarHBondContact O-N 3.35Å; K70-N74 VanDerWaalsContact O-CB 3.27Å; K70-N74 WeakPolarHBondContact O-CB 3.37Å; K70-N74 PolarHBondContact O-N 3.26Å; K70-N74 PolarHBondContact O-ND2 2.98Å |
| 71 | E | 75.2 | Confident | 71.1 | Confident | 137 Ų | 137 | 123 Ų | 123 | 64% | 0.64 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.3 | -43.9 | 174.4 | -170.6 | -174.6 | 176 | 0 | 0 | 112.2 | E67 I69 R75 | E67-E71 WeakPolarHBondContact O-CB 3.45Å; E67-E71 PolarHBondContact O-N 3.16Å; I69-E71 VanDerWaalsContact C-N 3.27Å; I69-E71 PolarHBondContact O-N 2.84Å; E71-R75 WeakPolarHBondContact O-CB 3.3Å; E71-R75 PolarHBondContact O-N 3.29Å |
| 72 | K | 76.1 | Confident | 72.4 | Confident | 147 Ų | 147 | 123.2 Ų | 123.2 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.3 | -42 | 176.3 | -79 | -176.4 | 177.5 | -174.1 | 0 | 112.3 | K68 I69 R75 L76 | K68-K72 WeakPolarHBondContact O-CG 3.36Å; K68-K72 PolarHBondContact O-N 2.9Å; K68-K72 VanDerWaalsContact O-N 3.13Å; I69-K72 PolarHBondContact O-N 3.17Å; I69-K72 VanDerWaalsContact O-N 3.17Å; K72-R75 PolarHBondContact O-N 3.46Å; K72-L76 PolarHBondContact O-N 2.81Å |
| 73 | E | 78.8 | Confident | 73.4 | Confident | 122 Ų | 122 | 121.4 Ų | 121.4 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.4 | -46.2 | 176.9 | -171.2 | -172.2 | 164.9 | 0 | 0 | 111.2 | I69 R75 L76 R77 | I69-E73 WeakPolarHBondContact O-CB 3.36Å; I69-E73 PolarHBondContact O-N 3.48Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 2.9Å; E73-L76 PolarHBondContact O-N 3.38Å; E73-L76 VanDerWaalsContact O-N 3.16Å; E73-R77 WeakPolarHBondContact O-CB 3.42Å; E73-R77 PolarHBondContact O-N 2.84Å |
| 74 | N | 79.4 | Confident | 74.3 | Confident | 87 Ų | 87 | 120.9 Ų | 120.9 | 47% | 0.465 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -34.6 | 174.1 | -83 | -28.3 | 0 | 0 | 0 | 112.6 | K70 K78 | K70-N74 VanDerWaalsContact O-CB 3.27Å; K70-N74 WeakPolarHBondContact O-CB 3.37Å; K70-N74 PolarHBondContact O-N 3.26Å; K70-N74 PolarHBondContact O-ND2 2.98Å; N74-K78 VanDerWaalsContact O-CB 3.3Å; N74-K78 WeakPolarHBondContact O-CB 3.3Å; N74-K78 VanDerWaalsContact O-CG 3.23Å; N74-K78 WeakPolarHBondContact O-CG 3.37Å; N74-K78 PolarHBondContact O-N 3.48Å |
| 75 | R | 81.3 | Confident | 75.3 | Confident | 167 Ų | 167 | 119.8 Ų | 119.8 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.1 | -38.7 | 174.5 | -172.5 | 177.3 | -177.8 | -168.8 | -0.2 | 111.8 | E71 K72 E73 K79 | E71-R75 WeakPolarHBondContact O-CB 3.3Å; E71-R75 PolarHBondContact O-N 3.29Å; K72-R75 PolarHBondContact O-N 3.46Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 2.9Å; R75-K79 WeakPolarHBondContact O-CB 3.38Å; R75-K79 WeakPolarHBondContact O-CG 3.14Å; R75-K79 PolarHBondContact O-N 3.44Å |
| 76 | L | 79.1 | Confident | 76.1 | Confident | 109 Ų | 109 | 121.5 Ų | 121.5 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.3 | -45.3 | 176.6 | -146.1 | 97.1 | 0 | 0 | 0 | 110.6 | K72 E73 K78 K79 Q80 | K72-L76 PolarHBondContact O-N 2.81Å; E73-L76 PolarHBondContact O-N 3.38Å; E73-L76 VanDerWaalsContact O-N 3.16Å; L76-K78 PolarHBondContact O-N 2.62Å; L76-K79 PolarHBondContact O-N 3.46Å; L76-Q80 WeakPolarHBondContact O-CG 3.43Å; L76-Q80 PolarHBondContact O-N 3.16Å |
| 77 | R | 81.5 | Confident | 76.3 | Confident | 149 Ų | 149 | 124.3 Ų | 124.3 | 56% | 0.562 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -41.4 | 176.2 | -172.2 | 175.7 | 176.3 | 179.7 | 2.1 | 112.1 | E73 Q80 Q81 | E73-R77 WeakPolarHBondContact O-CB 3.42Å; E73-R77 PolarHBondContact O-N 2.84Å; R77-Q80 PolarHBondContact O-N 3.28Å; R77-Q81 WeakPolarHBondContact O-CB 3.23Å; R77-Q81 VanDerWaalsContact O-CG 3.3Å; R77-Q81 WeakPolarHBondContact O-CG 3.28Å; R77-Q81 PolarHBondContact O-N 2.84Å |
| 78 | K | 81.8 | Confident | 76.2 | Confident | 135 Ų | 135 | 122.9 Ų | 122.9 | 59% | 0.587 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.3 | -43.1 | 173 | -78.5 | 178.1 | 179.6 | -174.3 | 0 | 112.1 | N74 L76 Q80 Q81 E82 | N74-K78 VanDerWaalsContact O-CB 3.3Å; N74-K78 WeakPolarHBondContact O-CB 3.3Å; N74-K78 VanDerWaalsContact O-CG 3.23Å; N74-K78 WeakPolarHBondContact O-CG 3.37Å; N74-K78 PolarHBondContact O-N 3.48Å; L76-K78 PolarHBondContact O-N 2.62Å; K78-Q80 PolarHBondContact O-N 3.46Å; K78-Q81 PolarHBondContact O-N 2.9Å; K78-E82 WeakPolarHBondContact O-CB 3.32Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.21Å |
| 79 | K | 81.6 | Confident | 76 | Confident | 106 Ų | 106 | 120.5 Ų | 120.5 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.1 | -76.8 | 179.1 | 176 | -169.9 | 0 | 112.6 | R75 L76 E82 L83 | R75-K79 WeakPolarHBondContact O-CB 3.38Å; R75-K79 WeakPolarHBondContact O-CG 3.14Å; R75-K79 PolarHBondContact O-N 3.44Å; L76-K79 PolarHBondContact O-N 3.46Å; K79-E82 PolarHBondContact O-N 3.13Å; K79-L83 WeakPolarHBondContact O-CB 3.37Å; K79-L83 WeakPolarHBondContact O-CG 3.35Å; K79-L83 PolarHBondContact O-N 2.99Å |
| 80 | Q | 73.7 | Confident | 75.4 | Confident | 107 Ų | 107 | 121.4 Ų | 121.4 | 50% | 0.5 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -39.4 | 174.9 | -74.5 | -176.3 | 1.2 | 0 | 0 | 111.6 | L76 R77 K78 L83 K84 | L76-Q80 WeakPolarHBondContact O-CG 3.43Å; L76-Q80 PolarHBondContact O-N 3.16Å; R77-Q80 PolarHBondContact O-N 3.28Å; K78-Q80 PolarHBondContact O-N 3.46Å; Q80-L83 PolarHBondContact O-N 2.99Å; Q80-K84 WeakPolarHBondContact O-CB 3.48Å; Q80-K84 VanDerWaalsContact O-CG 3.28Å; Q80-K84 WeakPolarHBondContact O-CG 3.29Å; Q80-K84 PolarHBondContact O-N 3.13Å |
| 81 | Q | 77.7 | Confident | 74.6 | Confident | 105 Ų | 105 | 121.1 Ų | 121.1 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -39.5 | 174.6 | -76.7 | 177.7 | -24.4 | 0 | 0 | 112 | R77 K78 K84 K85 | R77-Q81 WeakPolarHBondContact O-CB 3.23Å; R77-Q81 VanDerWaalsContact O-CG 3.3Å; R77-Q81 WeakPolarHBondContact O-CG 3.28Å; R77-Q81 PolarHBondContact O-N 2.84Å; K78-Q81 PolarHBondContact O-N 2.9Å; Q81-K84 PolarHBondContact O-N 2.84Å; Q81-K85 WeakPolarHBondContact O-CB 3.4Å; Q81-K85 PolarHBondContact O-N 3.5Å |
| 82 | E | 80.7 | Confident | 73.7 | Confident | 117 Ų | 117 | 121.8 Ų | 121.8 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.8 | -37.7 | 174.1 | -76.4 | 176.1 | 171.1 | 0 | 0 | 112 | K78 K79 K86 | K78-E82 WeakPolarHBondContact O-CB 3.32Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.21Å; K79-E82 PolarHBondContact O-N 3.13Å; E82-K86 VanDerWaalsContact O-CB 3.29Å; E82-K86 WeakPolarHBondContact O-CB 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.48Å; E82-K86 PolarHBondContact O-N 2.89Å |
| 83 | L | 75.3 | Confident | 72.8 | Confident | 112 Ų | 112 | 122.5 Ų | 122.5 | 59% | 0.586 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.7 | -44.7 | 173.9 | -82.7 | 163.3 | 0 | 0 | 0 | 111.7 | K79 Q80 K86 L87 | K79-L83 WeakPolarHBondContact O-CB 3.37Å; K79-L83 WeakPolarHBondContact O-CG 3.35Å; K79-L83 PolarHBondContact O-N 2.99Å; Q80-L83 PolarHBondContact O-N 2.99Å; L83-K86 PolarHBondContact O-N 2.89Å; L83-L87 WeakPolarHBondContact O-CB 3.32Å; L83-L87 PolarHBondContact O-N 3.39Å |
| 84 | K | 76.6 | Confident | 71.3 | Confident | 142 Ų | 142 | 118.3 Ų | 118.3 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 175.3 | -75.5 | -179.4 | 179.1 | -167.4 | 0 | 111.7 | Q80 Q81 K86 L87 E88 | Q80-K84 WeakPolarHBondContact O-CB 3.48Å; Q80-K84 VanDerWaalsContact O-CG 3.28Å; Q80-K84 WeakPolarHBondContact O-CG 3.29Å; Q80-K84 PolarHBondContact O-N 3.13Å; Q81-K84 PolarHBondContact O-N 2.84Å; K84-K86 VanDerWaalsContact C-N 3.33Å; K84-K86 PolarHBondContact O-N 3.46Å; K84-L87 WeakPolarHBondContact O-CB 3.41Å; K84-L87 PolarHBondContact O-N 2.8Å; K84-E88 VanDerWaalsContact O-CB 3.29Å; K84-E88 WeakPolarHBondContact O-CB 3.45Å; K84-E88 PolarHBondContact O-N 2.92Å |
| 85 | K | 77.4 | Confident | 70.7 | Confident | 119 Ų | 119 | 117.5 Ų | 117.5 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.1 | -34 | 178 | -169.4 | 170.1 | -168.9 | -72.9 | 0 | 112.1 | Q81 E89 | Q81-K85 WeakPolarHBondContact O-CB 3.4Å; Q81-K85 PolarHBondContact O-N 3.5Å; K85-E89 IonicContact NZ-OE1 2.62Å; K85-E89 PolarHBondContact NZ-OE1 3.37Å; K85-E89 VanDerWaalsContact O-CB 3.22Å; K85-E89 WeakPolarHBondContact O-CB 3.17Å; K85-E89 WeakPolarHBondContact O-CG 3.38Å; K85-E89 PolarHBondContact O-N 2.86Å |
| 86 | K | 73.5 | Confident | 69.8 | Low | 131 Ų | 131 | 114.4 Ų | 114.4 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.7 | -40 | 172 | -78.5 | 174.5 | -179.9 | -171.5 | 0 | 112.6 | E82 L83 K84 E88 E90 | E82-K86 VanDerWaalsContact O-CB 3.29Å; E82-K86 WeakPolarHBondContact O-CB 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.48Å; E82-K86 PolarHBondContact O-N 2.89Å; L83-K86 PolarHBondContact O-N 2.89Å; K84-K86 VanDerWaalsContact C-N 3.33Å; K84-K86 PolarHBondContact O-N 3.46Å; K86-E88 VanDerWaalsContact C-N 3.34Å; K86-E90 WeakPolarHBondContact O-CB 3.19Å; K86-E90 PolarHBondContact O-N 2.82Å |
| 87 | L | 67.1 | Low | 69 | Low | 105 Ų | 105 | 116.9 Ų | 116.9 | 55% | 0.55 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.2 | -41.7 | 172.9 | -101.6 | 155.4 | 0 | 0 | 0 | 111.6 | L83 K84 E90 E91 | L83-L87 WeakPolarHBondContact O-CB 3.32Å; L83-L87 PolarHBondContact O-N 3.39Å; K84-L87 WeakPolarHBondContact O-CB 3.41Å; K84-L87 PolarHBondContact O-N 2.8Å; L87-E90 PolarHBondContact O-N 2.85Å; L87-E91 WeakPolarHBondContact O-CB 3.29Å; L87-E91 PolarHBondContact O-N 2.84Å |
| 88 | E | 67.1 | Low | 68.2 | Low | 111 Ų | 111 | 114.6 Ų | 114.6 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 177.8 | -168.3 | 170.2 | -147.4 | 0 | 0 | 111.3 | K84 K86 E90 E91 E92 | K84-E88 VanDerWaalsContact O-CB 3.29Å; K84-E88 WeakPolarHBondContact O-CB 3.45Å; K84-E88 PolarHBondContact O-N 2.92Å; K86-E88 VanDerWaalsContact C-N 3.34Å; E88-E90 VanDerWaalsContact C-N 3.35Å; E88-E91 PolarHBondContact O-N 2.83Å; E88-E92 VanDerWaalsContact O-CB 3.29Å; E88-E92 WeakPolarHBondContact O-CB 3.29Å; E88-E92 VanDerWaalsContact O-CG 3.29Å; E88-E92 WeakPolarHBondContact O-CG 3.46Å; E88-E92 PolarHBondContact O-N 3.37Å |
| 89 | E | 63.3 | Low | 67.5 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 36% | 0.36 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 171.2 | -77.3 | 167.7 | -175.1 | 0 | 0 | 111.7 | K85 E92 E93 | K85-E89 IonicContact NZ-OE1 2.62Å; K85-E89 PolarHBondContact NZ-OE1 3.37Å; K85-E89 VanDerWaalsContact O-CB 3.22Å; K85-E89 WeakPolarHBondContact O-CB 3.17Å; K85-E89 WeakPolarHBondContact O-CG 3.38Å; K85-E89 PolarHBondContact O-N 2.86Å; E89-E92 PolarHBondContact O-N 3.43Å; E89-E93 VanDerWaalsContact O-CB 3.29Å; E89-E93 WeakPolarHBondContact O-CB 3.16Å; E89-E93 VanDerWaalsContact O-CG 3.26Å; E89-E93 WeakPolarHBondContact O-CG 3.22Å; E89-E93 PolarHBondContact O-N 2.83Å |
| 90 | E | 60.1 | Low | 67 | Low | 128 Ų | 128 | 113.4 Ų | 113.4 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70 | -38.1 | 175.5 | -166.3 | 166.4 | -161.6 | 0 | 0 | 111.2 | K86 L87 E88 L94 | K86-E90 WeakPolarHBondContact O-CB 3.19Å; K86-E90 PolarHBondContact O-N 2.82Å; L87-E90 PolarHBondContact O-N 2.85Å; E88-E90 VanDerWaalsContact C-N 3.35Å; E90-L94 VanDerWaalsContact O-CD1 3.23Å; E90-L94 WeakPolarHBondContact O-CD1 3.3Å; E90-L94 PolarHBondContact O-N 3.39Å |
| 91 | E | 58.7 | Low | 67.2 | Low | 131 Ų | 131 | 111.1 Ų | 111.1 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.9 | -35 | 170.4 | -85.5 | -174.5 | 147 | 0 | 0 | 113.2 | L87 E88 L94 Q99 | L87-E91 WeakPolarHBondContact O-CB 3.29Å; L87-E91 PolarHBondContact O-N 2.84Å; E88-E91 PolarHBondContact O-N 2.83Å; E91-L94 WeakPolarHBondContact O-CB 3.46Å; E91-Q99 PolarHBondContact O-NE2 2.96Å |
| 92 | E | 57.9 | Low | 67.1 | Low | 150 Ų | 150 | 111 Ų | 111 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -80.5 | -30.3 | 179.3 | -77.3 | -174.2 | 169.9 | 0 | 0 | 113.3 | E88 E89 L94 | E88-E92 VanDerWaalsContact O-CB 3.29Å; E88-E92 WeakPolarHBondContact O-CB 3.29Å; E88-E92 VanDerWaalsContact O-CG 3.29Å; E88-E92 WeakPolarHBondContact O-CG 3.46Å; E88-E92 PolarHBondContact O-N 3.37Å; E89-E92 PolarHBondContact O-N 3.43Å; E92-L94 PolarHBondContact O-N 2.82Å |
| 93 | E | 55.7 | Low | 67.1 | Low | 162 Ų | 162 | 112.5 Ų | 112.5 | 76% | 0.757 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.9 | -14.2 | 173.2 | -76.7 | -175.5 | -178.2 | 0 | 0 | 112.7 | E89 T95 | E89-E93 VanDerWaalsContact O-CB 3.29Å; E89-E93 WeakPolarHBondContact O-CB 3.16Å; E89-E93 VanDerWaalsContact O-CG 3.26Å; E89-E93 WeakPolarHBondContact O-CG 3.22Å; E89-E93 PolarHBondContact O-N 2.83Å; E93-T95 PolarHBondContact O-N 3.32Å |
| 94 | L | 48.7 | Very low | 67.4 | Low | 35 Ų | 35 | 111.4 Ų | 111.4 | 18% | 0.183 | 55% | 0.545 | C | S | . | . | S | Bend | trans | -77.8 | 108.5 | 175.2 | -111.3 | 126.3 | 0 | 0 | 0 | 109.9 | E90 E91 E92 Q98 Q99 E102 | E90-L94 VanDerWaalsContact O-CD1 3.23Å; E90-L94 WeakPolarHBondContact O-CD1 3.3Å; E90-L94 PolarHBondContact O-N 3.39Å; E91-L94 WeakPolarHBondContact O-CB 3.46Å; E92-L94 PolarHBondContact O-N 2.82Å; L94-Q98 HydrophobicContact CD2-CB 3.42Å; L94-Q98 VanDerWaalsContact CD2-CB 3.42Å; L94-Q98 HydrophobicContact CG-CB 4.14Å; L94-Q99 HydrophobicContact CB-CG 3.83Å; L94-Q99 HydrophobicContact CD2-CG 4.05Å; L94-Q99 PolarHBondContact O-NE2 3.44Å; L94-E102 WeakPolarHBondContact CD1-OE2 3.3Å; L94-E102 HydrophobicContact CD2-CB 4.45Å; L94-E102 WeakPolarHBondContact CD2-OE2 3.4Å |
| 95 | T | 65.9 | Low | 67.7 | Low | 70 Ų | 70 | 111.6 Ų | 111.6 | 43% | 0.429 | 55% | 0.546 | S | S | . | . | trans | -53.5 | 149.9 | 172 | 49.1 | 0 | 0 | 0 | 0 | 110.9 | E93 E97 Q98 Q99 | E93-T95 PolarHBondContact O-N 3.32Å; T95-E97 PolarHBondContact O-N 3.37Å; T95-Q98 VanDerWaalsContact N-OE1 3.13Å; T95-Q98 WeakPolarHBondContact O-CA 3.39Å; T95-Q98 WeakPolarHBondContact O-CB 3.5Å; T95-Q98 PolarHBondContact O-N 2.94Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.23Å; T95-Q98 PolarHBondContact OG1-OE1 2.93Å; T95-Q99 PolarHBondContact O-N 3.36Å | ||
| 96 | P | 62.9 | Low | 68.1 | Low | 101 Ų | 101 | 109.8 Ų | 109.8 | 66% | 0.656 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.7 | -23.3 | -177 | 21.7 | -33.8 | 0 | 0 | 0 | 113.4 | L100 | P96-L100 WeakPolarHBondContact O-CG 3.29Å; P96-L100 PolarHBondContact O-N 3.01Å |
| 97 | E | 62 | Low | 68.7 | Low | 162 Ų | 162 | 108.2 Ų | 108.2 | 76% | 0.757 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.9 | -34.8 | 174.1 | -159.3 | 174.6 | -171.3 | 0 | 0 | 112.7 | T95 A101 | T95-E97 PolarHBondContact O-N 3.37Å; E97-A101 PolarHBondContact O-N 2.96Å |
| 98 | Q | 65.1 | Low | 69.6 | Low | 101 Ų | 101 | 108.5 Ų | 108.5 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.1 | -36.2 | 174.5 | -69.9 | 168.3 | -31.1 | 0 | 0 | 111.7 | L94 T95 L100 A101 E102 | L94-Q98 HydrophobicContact CD2-CB 3.42Å; L94-Q98 VanDerWaalsContact CD2-CB 3.42Å; L94-Q98 HydrophobicContact CG-CB 4.14Å; T95-Q98 VanDerWaalsContact N-OE1 3.13Å; T95-Q98 WeakPolarHBondContact O-CA 3.39Å; T95-Q98 WeakPolarHBondContact O-CB 3.5Å; T95-Q98 PolarHBondContact O-N 2.94Å; T95-Q98 WeakPolarHBondContact OG1-CG 3.23Å; T95-Q98 PolarHBondContact OG1-OE1 2.93Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 PolarHBondContact O-N 2.82Å; Q98-A101 PolarHBondContact O-N 3.5Å; Q98-A101 VanDerWaalsContact O-N 3.12Å; Q98-E102 WeakPolarHBondContact O-CB 3.33Å; Q98-E102 PolarHBondContact O-N 3.31Å |
| 99 | Q | 67.5 | Low | 70.2 | Confident | 94 Ų | 94 | 109.3 Ų | 109.3 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 176.2 | -68.2 | -178.1 | -15.8 | 0 | 0 | 111.4 | E91 L94 T95 K103 | E91-Q99 PolarHBondContact O-NE2 2.96Å; L94-Q99 HydrophobicContact CB-CG 3.83Å; L94-Q99 HydrophobicContact CD2-CG 4.05Å; L94-Q99 PolarHBondContact O-NE2 3.44Å; T95-Q99 PolarHBondContact O-N 3.36Å; Q99-K103 WeakPolarHBondContact O-CB 3.25Å; Q99-K103 PolarHBondContact O-N 3.44Å |
| 100 | L | 69.9 | Low | 71.3 | Confident | 121 Ų | 121 | 111.3 Ų | 111.3 | 63% | 0.634 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.4 | -40.5 | 174 | -70.8 | 173.3 | 0 | 0 | 0 | 112 | P96 Q98 K103 L104 | P96-L100 WeakPolarHBondContact O-CG 3.29Å; P96-L100 PolarHBondContact O-N 3.01Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 PolarHBondContact O-N 2.82Å; L100-K103 PolarHBondContact O-N 3.28Å; L100-L104 WeakPolarHBondContact O-CB 3.26Å; L100-L104 PolarHBondContact O-N 3.11Å |
| 101 | A | 77.2 | Confident | 72.5 | Confident | 60 Ų | 60 | 110 Ų | 110 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E97 Q98 L104 K105 | E97-A101 PolarHBondContact O-N 2.96Å; Q98-A101 PolarHBondContact O-N 3.5Å; Q98-A101 VanDerWaalsContact O-N 3.12Å; A101-L104 PolarHBondContact O-N 2.93Å; A101-K105 PolarHBondContact O-N 3.1Å |
| 102 | E | 77.4 | Confident | 73.8 | Confident | 103 Ų | 103 | 109.6 Ų | 109.6 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 175.1 | -172.9 | 171.9 | -172.2 | 0 | 0 | 111.1 | L94 Q98 L104 K105 V106 | L94-E102 WeakPolarHBondContact CD1-OE2 3.3Å; L94-E102 HydrophobicContact CD2-CB 4.45Å; L94-E102 WeakPolarHBondContact CD2-OE2 3.4Å; Q98-E102 WeakPolarHBondContact O-CB 3.33Å; Q98-E102 PolarHBondContact O-N 3.31Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.2Å; E102-K105 CarbonylContact O-C 3.59Å; E102-K105 WeakPolarHBondContact O-CA 3.21Å; E102-K105 WeakPolarHBondContact O-CB 3.35Å; E102-K105 PolarHBondContact O-N 3.45Å; E102-V106 WeakPolarHBondContact O-CG2 3.46Å; E102-V106 PolarHBondContact O-N 3.34Å |
| 103 | K | 78.9 | Confident | 75.2 | Confident | 147 Ų | 147 | 104.9 Ų | 104.9 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.8 | -40.1 | 173.4 | -174.4 | 174.3 | -177.9 | 175.5 | 0 | 112.3 | Q99 L100 K105 V106 Q107 | Q99-K103 WeakPolarHBondContact O-CB 3.25Å; Q99-K103 PolarHBondContact O-N 3.44Å; L100-K103 PolarHBondContact O-N 3.28Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-V106 PolarHBondContact O-N 2.79Å; K103-Q107 VanDerWaalsContact O-CB 3.25Å; K103-Q107 WeakPolarHBondContact O-CB 3.44Å; K103-Q107 PolarHBondContact O-N 3.24Å |
| 104 | L | 81.6 | Confident | 76.8 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 176.2 | -151.2 | 169 | 0 | 0 | 0 | 111.2 | L100 A101 E102 K108 | L100-L104 WeakPolarHBondContact O-CB 3.26Å; L100-L104 PolarHBondContact O-N 3.11Å; A101-L104 PolarHBondContact O-N 2.93Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.2Å; L104-K108 HydrophobicContact CD2-CD 3.79Å; L104-K108 HydrophobicContact CD2-CG 4.04Å; L104-K108 WeakPolarHBondContact O-CB 3.48Å; L104-K108 WeakPolarHBondContact O-CG 3.3Å; L104-K108 PolarHBondContact O-N 2.88Å |
| 105 | K | 83.6 | Confident | 78.6 | Confident | 146 Ų | 146 | 104 Ų | 104 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.7 | -42.3 | 175.5 | -169.3 | -179.6 | 179.5 | -177.3 | 0 | 112.1 | A101 E102 K103 K108 M109 | A101-K105 PolarHBondContact O-N 3.1Å; E102-K105 CarbonylContact O-C 3.59Å; E102-K105 WeakPolarHBondContact O-CA 3.21Å; E102-K105 WeakPolarHBondContact O-CB 3.35Å; E102-K105 PolarHBondContact O-N 3.45Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K105-K108 PolarHBondContact O-N 2.8Å; K105-M109 WeakPolarHBondContact O-CB 3.14Å; K105-M109 PolarHBondContact O-N 2.99Å |
| 106 | V | 85.8 | Confident | 79.4 | Confident | 81 Ų | 81 | 107 Ų | 107 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 173.9 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | E102 K103 K108 M109 Q110 | E102-V106 WeakPolarHBondContact O-CG2 3.46Å; E102-V106 PolarHBondContact O-N 3.34Å; K103-V106 PolarHBondContact O-N 2.79Å; V106-K108 PolarHBondContact O-N 3.41Å; V106-M109 PolarHBondContact O-N 2.83Å; V106-Q110 WeakPolarHBondContact O-CB 3.14Å; V106-Q110 PolarHBondContact O-N 3.47Å |
| 107 | Q | 86.1 | Confident | 80.5 | Confident | 99 Ų | 99 | 107.4 Ų | 107.4 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.5 | -176.6 | -179.6 | -3.4 | 0 | 0 | 111.4 | K103 Q110 E111 | K103-Q107 VanDerWaalsContact O-CB 3.25Å; K103-Q107 WeakPolarHBondContact O-CB 3.44Å; K103-Q107 PolarHBondContact O-N 3.24Å; Q107-Q110 PolarHBondContact O-N 2.76Å; Q107-E111 HydrophobicContact CG-CG 4.35Å; Q107-E111 WeakPolarHBondContact CG-OE1 2.98Å; Q107-E111 PolarHBondContact NE2-OE1 3.33Å; Q107-E111 WeakPolarHBondContact O-CB 3.37Å; Q107-E111 VanDerWaalsContact O-CG 3.3Å; Q107-E111 WeakPolarHBondContact O-CG 3.32Å; Q107-E111 PolarHBondContact O-N 3.24Å |
| 108 | K | 86.8 | Confident | 81.5 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.9 | -80.9 | 176.4 | 173.9 | 176.8 | 0 | 112.6 | L104 K105 V106 Q110 E111 E112 | L104-K108 HydrophobicContact CD2-CD 3.79Å; L104-K108 HydrophobicContact CD2-CG 4.04Å; L104-K108 WeakPolarHBondContact O-CB 3.48Å; L104-K108 WeakPolarHBondContact O-CG 3.3Å; L104-K108 PolarHBondContact O-N 2.88Å; K105-K108 PolarHBondContact O-N 2.8Å; V106-K108 PolarHBondContact O-N 3.41Å; K108-Q110 VanDerWaalsContact C-N 3.26Å; K108-Q110 PolarHBondContact O-N 2.83Å; K108-E111 PolarHBondContact O-N 3.47Å; K108-E112 VanDerWaalsContact O-CB 3.27Å; K108-E112 WeakPolarHBondContact O-CB 3.31Å; K108-E112 VanDerWaalsContact O-CG 3.24Å; K108-E112 WeakPolarHBondContact O-CG 3.33Å; K108-E112 PolarHBondContact O-N 3.23Å |
| 109 | M | 79.8 | Confident | 82.2 | Confident | 127 Ų | 127 | 101 Ų | 101 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -38.3 | 177 | -176.2 | -178.3 | -75.7 | 0 | 0 | 111.1 | K105 V106 A113 | K105-M109 WeakPolarHBondContact O-CB 3.14Å; K105-M109 PolarHBondContact O-N 2.99Å; V106-M109 PolarHBondContact O-N 2.83Å; M109-A113 WeakPolarHBondContact O-CB 3.24Å; M109-A113 PolarHBondContact O-N 2.81Å |
| 110 | Q | 86.7 | Confident | 82.7 | Confident | 119 Ų | 119 | 103.1 Ų | 103.1 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.9 | -44.1 | 175.3 | -173.4 | 164.2 | 5.3 | 0 | 0 | 112.1 | V106 Q107 K108 E112 A113 D114 | V106-Q110 WeakPolarHBondContact O-CB 3.14Å; V106-Q110 PolarHBondContact O-N 3.47Å; Q107-Q110 PolarHBondContact O-N 2.76Å; K108-Q110 VanDerWaalsContact C-N 3.26Å; K108-Q110 PolarHBondContact O-N 2.83Å; Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 2.85Å; Q110-A113 PolarHBondContact O-N 3.3Å; Q110-D114 VanDerWaalsContact O-CB 3.3Å; Q110-D114 WeakPolarHBondContact O-CB 3.27Å; Q110-D114 PolarHBondContact O-N 3.31Å |
| 111 | E | 84.9 | Confident | 83.2 | Confident | 101 Ų | 101 | 101.3 Ų | 101.3 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.8 | -74.5 | 172.6 | -171.4 | 0 | 0 | 111.6 | Q107 K108 L115 | Q107-E111 HydrophobicContact CG-CG 4.35Å; Q107-E111 WeakPolarHBondContact CG-OE1 2.98Å; Q107-E111 PolarHBondContact NE2-OE1 3.33Å; Q107-E111 WeakPolarHBondContact O-CB 3.37Å; Q107-E111 VanDerWaalsContact O-CG 3.3Å; Q107-E111 WeakPolarHBondContact O-CG 3.32Å; Q107-E111 PolarHBondContact O-N 3.24Å; K108-E111 PolarHBondContact O-N 3.47Å; E111-L115 WeakPolarHBondContact O-CB 3.4Å; E111-L115 PolarHBondContact O-N 2.97Å |
| 112 | E | 85 | Confident | 82.8 | Confident | 123 Ų | 123 | 106.4 Ų | 106.4 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.9 | -45.3 | 175.3 | -76.6 | 172.2 | -177.2 | 0 | 0 | 111.2 | K108 Q110 L115 E116 | K108-E112 VanDerWaalsContact O-CB 3.27Å; K108-E112 WeakPolarHBondContact O-CB 3.31Å; K108-E112 VanDerWaalsContact O-CG 3.24Å; K108-E112 WeakPolarHBondContact O-CG 3.33Å; K108-E112 PolarHBondContact O-N 3.23Å; Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 2.85Å; E112-L115 PolarHBondContact O-N 3.45Å; E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 WeakPolarHBondContact O-CG 3.36Å; E112-E116 PolarHBondContact O-N 2.78Å |
| 113 | A | 87.8 | Confident | 82.1 | Confident | 50 Ų | 50 | 104.5 Ų | 104.5 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | M109 Q110 L115 E116 L117 | M109-A113 WeakPolarHBondContact O-CB 3.24Å; M109-A113 PolarHBondContact O-N 2.81Å; Q110-A113 PolarHBondContact O-N 3.3Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 2.82Å; A113-E116 PolarHBondContact O-N 2.8Å; A113-L117 VanDerWaalsContact O-CB 3.31Å; A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 PolarHBondContact O-N 2.79Å |
| 114 | D | 90.1 | Very high | 81.2 | Confident | 90 Ų | 90 | 104.8 Ų | 104.8 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 176.3 | -76.4 | -7.9 | 0 | 0 | 0 | 111.3 | Q110 A118 | Q110-D114 VanDerWaalsContact O-CB 3.3Å; Q110-D114 WeakPolarHBondContact O-CB 3.27Å; Q110-D114 PolarHBondContact O-N 3.31Å; D114-A118 WeakPolarHBondContact O-CB 3.41Å; D114-A118 PolarHBondContact O-N 3.41Å |
| 115 | L | 86.4 | Confident | 79.7 | Confident | 90 Ų | 90 | 103.4 Ų | 103.4 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.6 | -37 | 175.8 | -177.1 | 155.9 | 0 | 0 | 0 | 111.4 | E111 E112 A113 K119 | E111-L115 WeakPolarHBondContact O-CB 3.4Å; E111-L115 PolarHBondContact O-N 2.97Å; E112-L115 PolarHBondContact O-N 3.45Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 2.82Å; L115-K119 HydrophobicContact CD2-CD 3.68Å; L115-K119 HydrophobicContact CD2-CG 4.27Å; L115-K119 WeakPolarHBondContact O-CB 3.4Å; L115-K119 WeakPolarHBondContact O-CG 3.34Å; L115-K119 PolarHBondContact O-N 2.88Å |
| 116 | E | 82.9 | Confident | 78.3 | Confident | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65 | -45.8 | 170.3 | -76 | -178.7 | 178.8 | 0 | 0 | 111.2 | E112 A113 A118 K119 E120 | E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 WeakPolarHBondContact O-CG 3.36Å; E112-E116 PolarHBondContact O-N 2.78Å; A113-E116 PolarHBondContact O-N 2.8Å; E116-A118 PolarHBondContact O-N 3.25Å; E116-K119 PolarHBondContact O-N 3.33Å; E116-E120 PolarHBondContact O-N 3.47Å |
| 117 | L | 84.5 | Confident | 77.1 | Confident | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61 | -43 | 174.3 | -170.6 | 95.7 | 0 | 0 | 0 | 111.5 | A113 E120 A121 | A113-L117 VanDerWaalsContact O-CB 3.31Å; A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 PolarHBondContact O-N 2.79Å; L117-E120 WeakPolarHBondContact O-CB 3.48Å; L117-E120 PolarHBondContact O-N 3.47Å; L117-A121 VanDerWaalsContact O-CB 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.49Å; L117-A121 PolarHBondContact O-N 3.38Å |
| 118 | A | 82.8 | Confident | 75.2 | Confident | 41 Ų | 41 | 99.5 Ų | 99.5 | 34% | 0.339 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D114 E116 E120 A121 F122 | D114-A118 WeakPolarHBondContact O-CB 3.41Å; D114-A118 PolarHBondContact O-N 3.41Å; E116-A118 PolarHBondContact O-N 3.25Å; A118-E120 VanDerWaalsContact C-N 3.26Å; A118-E120 PolarHBondContact O-N 2.83Å; A118-A121 PolarHBondContact O-N 2.9Å; A118-F122 VanDerWaalsContact O-CB 3.3Å; A118-F122 WeakPolarHBondContact O-CB 3.2Å; A118-F122 WeakPolarHBondContact O-CD2 3.24Å; A118-F122 PolarHBondContact O-N 3.03Å |
| 119 | K | 80.3 | Confident | 73.3 | Confident | 88 Ų | 88 | 99.3 Ų | 99.3 | 38% | 0.383 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.2 | -33.9 | 173 | -75.4 | 169.4 | 173.3 | 165 | 0 | 111.7 | L115 E116 G123 M124 S125 | L115-K119 HydrophobicContact CD2-CD 3.68Å; L115-K119 HydrophobicContact CD2-CG 4.27Å; L115-K119 WeakPolarHBondContact O-CB 3.4Å; L115-K119 WeakPolarHBondContact O-CG 3.34Å; L115-K119 PolarHBondContact O-N 2.88Å; E116-K119 PolarHBondContact O-N 3.33Å; K119-G123 CarbonylContact O-C 3.51Å; K119-G123 PolarHBondContact O-N 3.12Å; K119-G123 VanDerWaalsContact O-N 3.1Å; K119-M124 PolarHBondContact O-N 3.24Å; K119-S125 PolarHBondContact O-N 2.89Å |
| 120 | E | 78.4 | Confident | 71.7 | Confident | 137 Ų | 137 | 99.2 Ų | 99.2 | 64% | 0.64 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.4 | -47.5 | 173.3 | -171.8 | 175.3 | -178.6 | 0 | 0 | 111.3 | E116 L117 A118 F122 G123 | E116-E120 PolarHBondContact O-N 3.47Å; L117-E120 WeakPolarHBondContact O-CB 3.48Å; L117-E120 PolarHBondContact O-N 3.47Å; A118-E120 VanDerWaalsContact C-N 3.26Å; A118-E120 PolarHBondContact O-N 2.83Å; E120-F122 PolarHBondContact O-N 2.96Å; E120-G123 PolarHBondContact O-N 2.81Å |
| 121 | A | 79.5 | Confident | 69.7 | Low | 84 Ų | 84 | 98.8 Ų | 98.8 | 69% | 0.694 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.3 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L117 A118 | L117-A121 VanDerWaalsContact O-CB 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.49Å; L117-A121 PolarHBondContact O-N 3.38Å; A118-A121 PolarHBondContact O-N 2.9Å |
| 122 | F | 69.9 | Low | 68.2 | Low | 166 Ų | 166 | 98.4 Ų | 98.4 | 73% | 0.728 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 2.6 | 175.7 | -76.9 | -81.8 | 0 | 0 | 0 | 113.4 | A118 E120 M124 | A118-F122 VanDerWaalsContact O-CB 3.3Å; A118-F122 WeakPolarHBondContact O-CB 3.2Å; A118-F122 WeakPolarHBondContact O-CD2 3.24Å; A118-F122 PolarHBondContact O-N 3.03Å; E120-F122 PolarHBondContact O-N 2.96Å; F122-M124 HydrophobicContact CB-SD 4.2Å; F122-M124 PolarHBondContact O-N 2.86Å |
| 123 | G | 63.3 | Low | 66.4 | Low | 64 Ų | 64 | 96.9 Ų | 96.9 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.5 | 22.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | K119 E120 | K119-G123 CarbonylContact O-C 3.51Å; K119-G123 PolarHBondContact O-N 3.12Å; K119-G123 VanDerWaalsContact O-N 3.1Å; E120-G123 PolarHBondContact O-N 2.81Å |
| 124 | M | 58.8 | Low | 64.8 | Low | 152 Ų | 152 | 98.3 Ų | 98.3 | 75% | 0.749 | 60% | 0.6 | S | S | * | * | trans | -90.8 | -13.2 | 178 | -73 | 163.9 | 66.5 | 0 | 0 | 112.7 | K119 F122 G126 | K119-M124 PolarHBondContact O-N 3.24Å; F122-M124 HydrophobicContact CB-SD 4.2Å; F122-M124 PolarHBondContact O-N 2.86Å; M124-G126 PolarHBondContact O-N 3.41Å | ||
| 125 | S | 50.5 | Low | 63.7 | Low | 61 Ų | 61 | 95 Ų | 95 | 43% | 0.427 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -82.8 | 108.9 | 167.7 | -152.3 | 0 | 0 | 0 | 0 | 109 | K119 G127 | K119-S125 PolarHBondContact O-N 2.89Å; S125-G127 PolarHBondContact O-N 2.86Å |
| 126 | G | 54.1 | Low | 63.5 | Low | 95 Ų | 95 | 91.8 Ų | 91.8 | 98% | 0.979 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -67.6 | 67.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M124 | M124-G126 PolarHBondContact O-N 3.41Š|
| 127 | G | 59.8 | Low | 63.6 | Low | 59 Ų | 59 | 92.1 Ų | 92.1 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | trans | -175.7 | 82 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S125 | S125-G127 PolarHBondContact O-N 2.86Š| ||
| 128 | S | 46.5 | Very low | 63.5 | Low | 89 Ų | 89 | 90.6 Ų | 90.6 | 62% | 0.622 | 58% | 0.58 | S | S | * | * | trans | -102.1 | 107.4 | -177.7 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 129 | T | 47.4 | Very low | 63.5 | Low | 108 Ų | 108 | 92 Ų | 92 | 66% | 0.663 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -61.4 | 131.2 | 153.2 | -15.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 130 | T | 45.6 | Very low | 63.7 | Low | 125 Ų | 125 | 93.5 Ų | 93.5 | 77% | 0.767 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 60.2 | 51.2 | 158.6 | 60.7 | 0 | 0 | 0 | 0 | 119 | ||
| 131 | N | 45.9 | Very low | 64.2 | Low | 109 Ų | 109 | 88.5 Ų | 88.5 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | trans | -163 | 90.3 | 136.3 | -115.9 | -11.6 | 0 | 0 | 0 | 110 | V133 S134 G135 | N131-V133 PolarHBondContact O-N 2.78Å; N131-S134 PolarHBondContact O-N 3.03Å; N131-G135 PolarHBondContact O-N 3.35Å | ||
| 132 | N | 52.2 | Low | 64.8 | Low | 93 Ų | 93 | 89.6 Ų | 89.6 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.7 | -2.9 | -178.7 | -86.4 | -58.5 | 0 | 0 | 0 | 115 | ||
| 133 | V | 48.2 | Very low | 65.9 | Low | 92 Ų | 92 | 83.5 Ų | 83.5 | 56% | 0.558 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -89.3 | -36.8 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | N131 G135 | N131-V133 PolarHBondContact O-N 2.78Å; V133-G135 VanDerWaalsContact C-N 3.34Å |
| 134 | S | 52.9 | Low | 67.3 | Low | 80 Ų | 80 | 88.4 Ų | 88.4 | 56% | 0.559 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -81.2 | -14.9 | 175.6 | -45 | 0 | 0 | 0 | 0 | 113.3 | N131 A138 | N131-S134 PolarHBondContact O-N 3.03Å; S134-A138 VanDerWaalsContact O-CB 3.24Å; S134-A138 WeakPolarHBondContact O-CB 3.44Å |
| 135 | G | 67.3 | Low | 68.8 | Low | 21 Ų | 21 | 87.3 Ų | 87.3 | 22% | 0.216 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -88.6 | -32.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | N131 V133 M139 | N131-G135 PolarHBondContact O-N 3.35Å; V133-G135 VanDerWaalsContact C-N 3.34Å; G135-M139 WeakPolarHBondContact O-CG 3.23Å |
| 136 | I | 82.7 | Confident | 70.7 | Confident | 22 Ų | 22 | 87.1 Ų | 87.1 | 11% | 0.113 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -83.7 | -41.5 | 177.1 | -60.1 | 177.8 | 0 | 0 | 0 | 110 | A138 M139 F150 L153 L154 K157 | I136-A138 VanDerWaalsContact C-N 3.27Å; I136-A138 PolarHBondContact O-N 3.17Å; I136-M139 PolarHBondContact O-N 3.29Å; I136-F150 HydrophobicContact CG2-CE2 3.78Å; I136-F150 HydrophobicContact CG2-CZ 4.48Å; I136-L153 HydrophobicContact CD1-CB 4.08Å; I136-L153 HydrophobicContact CG1-CB 3.96Å; I136-L153 HydrophobicContact CG1-CD1 4.47Å; I136-L154 HydrophobicContact CG2-CD2 4.06Å; I136-K157 HydrophobicContact CD1-CB 3.74Å; I136-K157 HydrophobicContact CD1-CG 4.09Å |
| 137 | D | 83.9 | Confident | 72.5 | Confident | 137 Ų | 137 | 87.9 Ų | 87.9 | 73% | 0.733 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.8 | -25.5 | -176 | -65.4 | -32.4 | 0 | 0 | 0 | 113 | ||
| 138 | A | 83.3 | Confident | 74.1 | Confident | 79 Ų | 79 | 88 Ų | 88 | 65% | 0.653 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S134 I136 | S134-A138 VanDerWaalsContact O-CB 3.24Å; S134-A138 WeakPolarHBondContact O-CB 3.44Å; I136-A138 VanDerWaalsContact C-N 3.27Å; I136-A138 PolarHBondContact O-N 3.17Å |
| 139 | M | 82.7 | Confident | 76.2 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 35% | 0.345 | 51% | 0.512 | S | S | . | . | trans | -78.1 | 129.2 | -179.9 | -90.2 | -171.9 | -176.6 | 0 | 0 | 111.9 | G135 I136 P141 E149 F150 L153 | G135-M139 WeakPolarHBondContact O-CG 3.23Å; I136-M139 PolarHBondContact O-N 3.29Å; M139-P141 WeakPolarHBondContact O-CD 3.35Å; M139-E149 HydrophobicContact CE-CG 4.45Å; M139-F150 HydrophobicContact CB-CD2 4.11Å; M139-F150 HydrophobicContact CB-CE2 4.42Å; M139-F150 HydrophobicContact SD-CD2 4.19Å; M139-L153 HydrophobicContact CE-CD1 3.38Å; M139-L153 HydrophobicContact SD-CD1 3.63Å | ||
| 140 | C | 84.1 | Confident | 78.3 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 81% | 0.811 | 49% | 0.491 | S | S | * | . | trans | -117.9 | 78.1 | 171.5 | -71.4 | 0 | 0 | 0 | 0 | 109.5 | S142 | C140-S142 PolarHBondContact O-N 3.46Š| ||
| 141 | P | 90.4 | Very high | 80.5 | Confident | 33 Ų | 33 | 85 Ų | 85 | 21% | 0.214 | 48% | 0.476 | C | S | . | . | trans | -63.7 | 132 | -176.6 | 26.7 | -34.1 | 0 | 0 | 0 | 110.9 | M139 D146 F147 F150 | M139-P141 WeakPolarHBondContact O-CD 3.35Å; P141-D146 HydrophobicContact CB-CB 3.66Å; P141-F147 HydrophobicContact CB-CD1 4.23Å; P141-F147 HydrophobicContact CB-CD2 4.02Å; P141-F147 HydrophobicContact CB-CE1 4.26Å; P141-F147 HydrophobicContact CB-CE2 4.04Å; P141-F147 HydrophobicContact CB-CG 4.11Å; P141-F147 HydrophobicContact CB-CZ 4.16Å; P141-F147 HydrophobicContact CG-CD1 4.17Å; P141-F147 HydrophobicContact CG-CE1 3.86Å; P141-F147 HydrophobicContact CG-CE2 4.34Å; P141-F147 HydrophobicContact CG-CZ 3.95Å; P141-F150 HydrophobicContact CB-CB 4.36Å; P141-F150 HydrophobicContact CG-CB 4.28Å; P141-F150 HydrophobicContact CG-CD1 4.17Å; P141-F150 HydrophobicContact CG-CG 4.11Å | ||
| 142 | S | 90.4 | Very high | 82.7 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 75% | 0.748 | 48% | 0.475 | S | S | * | . | trans | -127.8 | -34.3 | -177.2 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | C140 D146 | C140-S142 PolarHBondContact O-N 3.46Å; S142-D146 PolarHBondContact N-OD2 3.03Å; S142-D146 PolarHBondContact OG-OD2 3.3Å | ||
| 143 | S | 94.2 | Very high | 84.5 | Confident | 38 Ų | 38 | 83.8 Ų | 83.8 | 27% | 0.266 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -91.5 | 161.3 | 174.9 | 87.4 | 0 | 0 | 0 | 0 | 111.1 | E145 D146 F147 | S143-E145 PolarHBondContact O-N 3.16Å; S143-E145 PolarHBondContact OG-N 2.95Å; S143-D146 PolarHBondContact N-OD2 3.2Å; S143-D146 WeakPolarHBondContact O-CB 3.39Å; S143-D146 PolarHBondContact O-N 3.3Å; S143-D146 PolarHBondContact OG-N 3.04Å; S143-D146 PolarHBondContact OG-OD1 2.95Å; S143-D146 PolarHBondContact OG-OD2 3.48Å; S143-F147 VanDerWaalsContact O-CD2 3.31Å; S143-F147 WeakPolarHBondContact O-CD2 3.35Å; S143-F147 PolarHBondContact O-N 3.37Å; S143-F147 VanDerWaalsContact O-N 3.14Å |
| 144 | K | 92.3 | Very high | 86.6 | Confident | 166 Ų | 166 | 82.2 Ų | 82.2 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.4 | -38.6 | 176 | -175 | 176.8 | -179.8 | -179.5 | 0 | 110.8 | F147 T148 | K144-F147 PolarHBondContact O-N 2.85Å; K144-T148 WeakPolarHBondContact O-CG2 3.36Å; K144-T148 PolarHBondContact O-N 3.47Å; K144-T148 VanDerWaalsContact O-N 3.15Å |
| 145 | E | 90.6 | Very high | 88.5 | Confident | 130 Ų | 130 | 83.4 Ų | 83.4 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 176.8 | -66.7 | 67 | -149.4 | 0 | 0 | 110.8 | S143 F147 T148 E149 | S143-E145 PolarHBondContact O-N 3.16Å; S143-E145 PolarHBondContact OG-N 2.95Å; E145-F147 VanDerWaalsContact C-N 3.3Å; E145-F147 PolarHBondContact O-N 3.43Å; E145-T148 WeakPolarHBondContact O-CB 3.22Å; E145-T148 PolarHBondContact O-N 3.28Å; E145-T148 PolarHBondContact O-OG1 3.06Å; E145-E149 PolarHBondContact O-N 3.42Å; E145-E149 VanDerWaalsContact O-N 3.14Å |
| 146 | D | 90.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 86.4 Ų | 86.4 | 31% | 0.305 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 176.6 | -51 | -11.6 | 0 | 0 | 0 | 110.8 | P141 S142 S143 T148 E149 F150 | P141-D146 HydrophobicContact CB-CB 3.66Å; S142-D146 PolarHBondContact N-OD2 3.03Å; S142-D146 PolarHBondContact OG-OD2 3.3Å; S143-D146 PolarHBondContact N-OD2 3.2Å; S143-D146 WeakPolarHBondContact O-CB 3.39Å; S143-D146 PolarHBondContact O-N 3.3Å; S143-D146 PolarHBondContact OG-N 3.04Å; S143-D146 PolarHBondContact OG-OD1 2.95Å; S143-D146 PolarHBondContact OG-OD2 3.48Å; D146-T148 VanDerWaalsContact C-N 3.27Å; D146-T148 PolarHBondContact O-N 2.94Å; D146-E149 PolarHBondContact O-N 3.15Å; D146-E149 VanDerWaalsContact O-N 3.14Å; D146-F150 WeakPolarHBondContact O-CB 3.4Å; D146-F150 PolarHBondContact O-N 3.29Å |
| 147 | F | 92.3 | Very high | 90.1 | Very high | 111 Ų | 111 | 88.5 Ų | 88.5 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -32.8 | 176.1 | -86.3 | -78.7 | 0 | 0 | 0 | 112.4 | P141 S143 K144 E145 E149 E151 | P141-F147 HydrophobicContact CB-CD1 4.23Å; P141-F147 HydrophobicContact CB-CD2 4.02Å; P141-F147 HydrophobicContact CB-CE1 4.26Å; P141-F147 HydrophobicContact CB-CE2 4.04Å; P141-F147 HydrophobicContact CB-CG 4.11Å; P141-F147 HydrophobicContact CB-CZ 4.16Å; P141-F147 HydrophobicContact CG-CD1 4.17Å; P141-F147 HydrophobicContact CG-CE1 3.86Å; P141-F147 HydrophobicContact CG-CE2 4.34Å; P141-F147 HydrophobicContact CG-CZ 3.95Å; S143-F147 VanDerWaalsContact O-CD2 3.31Å; S143-F147 WeakPolarHBondContact O-CD2 3.35Å; S143-F147 PolarHBondContact O-N 3.37Å; S143-F147 VanDerWaalsContact O-N 3.14Å; K144-F147 PolarHBondContact O-N 2.85Å; E145-F147 VanDerWaalsContact C-N 3.3Å; E145-F147 PolarHBondContact O-N 3.43Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-E151 VanDerWaalsContact O-CB 3.24Å; F147-E151 WeakPolarHBondContact O-CB 3.34Å; F147-E151 PolarHBondContact O-N 2.93Å |
| 148 | T | 93.4 | Very high | 90.6 | Very high | 61 Ų | 61 | 83.9 Ų | 83.9 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 174.2 | 71 | 0 | 0 | 0 | 0 | 112.8 | K144 E145 D146 K152 | K144-T148 WeakPolarHBondContact O-CG2 3.36Å; K144-T148 PolarHBondContact O-N 3.47Å; K144-T148 VanDerWaalsContact O-N 3.15Å; E145-T148 WeakPolarHBondContact O-CB 3.22Å; E145-T148 PolarHBondContact O-N 3.28Å; E145-T148 PolarHBondContact O-OG1 3.06Å; D146-T148 VanDerWaalsContact C-N 3.27Å; D146-T148 PolarHBondContact O-N 2.94Å; T148-K152 VanDerWaalsContact O-CG 3.27Å; T148-K152 WeakPolarHBondContact O-CG 3.24Å; T148-K152 PolarHBondContact O-N 3.04Å |
| 149 | E | 90.1 | Very high | 91.1 | Very high | 114 Ų | 114 | 84.2 Ų | 84.2 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -75 | -44 | 176.5 | -172.5 | 156.6 | -154.8 | 0 | 0 | 111.2 | M139 E145 D146 F147 E151 K152 L153 | M139-E149 HydrophobicContact CE-CG 4.45Å; E145-E149 PolarHBondContact O-N 3.42Å; E145-E149 VanDerWaalsContact O-N 3.14Å; D146-E149 PolarHBondContact O-N 3.15Å; D146-E149 VanDerWaalsContact O-N 3.14Å; F147-E149 VanDerWaalsContact C-N 3.34Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.29Å; E149-K152 WeakPolarHBondContact O-CB 3.37Å; E149-K152 PolarHBondContact O-N 3.39Å; E149-K152 VanDerWaalsContact O-N 3.09Å; E149-L153 PolarHBondContact O-N 3.41Å |
| 150 | F | 91.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 86.1 Ų | 86.1 | 21% | 0.211 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 173 | -173.5 | -115.6 | 0 | 0 | 0 | 111.9 | I136 M139 P141 D146 K152 L153 L154 | I136-F150 HydrophobicContact CG2-CE2 3.78Å; I136-F150 HydrophobicContact CG2-CZ 4.48Å; M139-F150 HydrophobicContact CB-CD2 4.11Å; M139-F150 HydrophobicContact CB-CE2 4.42Å; M139-F150 HydrophobicContact SD-CD2 4.19Å; P141-F150 HydrophobicContact CB-CB 4.36Å; P141-F150 HydrophobicContact CG-CB 4.28Å; P141-F150 HydrophobicContact CG-CD1 4.17Å; P141-F150 HydrophobicContact CG-CG 4.11Å; D146-F150 WeakPolarHBondContact O-CB 3.4Å; D146-F150 PolarHBondContact O-N 3.29Å; F150-K152 VanDerWaalsContact C-N 3.32Å; F150-K152 PolarHBondContact O-N 3.45Å; F150-L153 PolarHBondContact O-N 2.94Å; F150-L154 HydrophobicContact CD1-CD1 3.75Å; F150-L154 HydrophobicContact CD1-CG 4.4Å; F150-L154 HydrophobicContact CE1-CD1 3.36Å; F150-L154 HydrophobicContact CE1-CG 4.11Å; F150-L154 HydrophobicContact CE2-CD1 4.47Å; F150-L154 HydrophobicContact CE2-CG 4.38Å; F150-L154 HydrophobicContact CG-CD1 4.46Å; F150-L154 HydrophobicContact CZ-CD1 3.77Å; F150-L154 HydrophobicContact CZ-CD2 4.32Å; F150-L154 HydrophobicContact CZ-CG 4.09Å; F150-L154 WeakPolarHBondContact O-CB 3.33Å; F150-L154 WeakPolarHBondContact O-CG 3.46Å; F150-L154 PolarHBondContact O-N 3.17Å |
| 151 | E | 91.8 | Very high | 92.2 | Very high | 97 Ų | 97 | 86.1 Ų | 86.1 | 45% | 0.453 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 174.3 | -176.6 | -171.3 | 169.6 | 0 | 0 | 111.9 | F147 E149 K155 | F147-E151 VanDerWaalsContact O-CB 3.24Å; F147-E151 WeakPolarHBondContact O-CB 3.34Å; F147-E151 PolarHBondContact O-N 2.93Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.29Å; E151-K155 HydrophobicContact CG-CD 4.28Å; E151-K155 WeakPolarHBondContact O-CB 3.47Å; E151-K155 VanDerWaalsContact O-CG 3.27Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.12Å; E151-K155 WeakPolarHBondContact OE1-CE 3.46Å; E151-K155 IonicContact OE1-NZ 2.59Å; E151-K155 PolarHBondContact OE1-NZ 3.49Å |
| 152 | K | 91.7 | Very high | 92.4 | Very high | 132 Ų | 132 | 90 Ų | 90 | 57% | 0.574 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 178 | -72.1 | 166.1 | -170.4 | 166.9 | 0 | 111.3 | T148 E149 F150 K155 V156 | T148-K152 VanDerWaalsContact O-CG 3.27Å; T148-K152 WeakPolarHBondContact O-CG 3.24Å; T148-K152 PolarHBondContact O-N 3.04Å; E149-K152 WeakPolarHBondContact O-CB 3.37Å; E149-K152 PolarHBondContact O-N 3.39Å; E149-K152 VanDerWaalsContact O-N 3.09Å; F150-K152 VanDerWaalsContact C-N 3.32Å; F150-K152 PolarHBondContact O-N 3.45Å; K152-K155 PolarHBondContact O-N 3.38Å; K152-V156 WeakPolarHBondContact O-CG2 3.39Å; K152-V156 PolarHBondContact O-N 2.98Å |
| 153 | L | 90.9 | Very high | 92.6 | Very high | 45 Ų | 45 | 93.9 Ų | 93.9 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 179.8 | -66.6 | 177.6 | 0 | 0 | 0 | 111.8 | I136 M139 E149 F150 K155 V156 K157 | I136-L153 HydrophobicContact CD1-CB 4.08Å; I136-L153 HydrophobicContact CG1-CB 3.96Å; I136-L153 HydrophobicContact CG1-CD1 4.47Å; M139-L153 HydrophobicContact CE-CD1 3.38Å; M139-L153 HydrophobicContact SD-CD1 3.63Å; E149-L153 PolarHBondContact O-N 3.41Å; F150-L153 PolarHBondContact O-N 2.94Å; L153-K155 VanDerWaalsContact C-N 3.35Å; L153-K155 PolarHBondContact O-N 3.31Å; L153-V156 PolarHBondContact O-N 2.86Å; L153-K157 WeakPolarHBondContact O-CB 3.17Å; L153-K157 PolarHBondContact O-N 3.47Å |
| 154 | L | 91.7 | Very high | 92.7 | Very high | 59 Ų | 59 | 94.6 Ų | 94.6 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 174 | -78.6 | 178.2 | 0 | 0 | 0 | 111.8 | I136 F150 V156 K157 I158 | I136-L154 HydrophobicContact CG2-CD2 4.06Å; F150-L154 HydrophobicContact CD1-CD1 3.75Å; F150-L154 HydrophobicContact CD1-CG 4.4Å; F150-L154 HydrophobicContact CE1-CD1 3.36Å; F150-L154 HydrophobicContact CE1-CG 4.11Å; F150-L154 HydrophobicContact CE2-CD1 4.47Å; F150-L154 HydrophobicContact CE2-CG 4.38Å; F150-L154 HydrophobicContact CG-CD1 4.46Å; F150-L154 HydrophobicContact CZ-CD1 3.77Å; F150-L154 HydrophobicContact CZ-CD2 4.32Å; F150-L154 HydrophobicContact CZ-CG 4.09Å; F150-L154 WeakPolarHBondContact O-CB 3.33Å; F150-L154 WeakPolarHBondContact O-CG 3.46Å; F150-L154 PolarHBondContact O-N 3.17Å; L154-V156 PolarHBondContact O-N 3.32Å; L154-K157 PolarHBondContact O-N 3.12Å; L154-I158 HydrophobicContact CB-CD1 4.42Å; L154-I158 WeakPolarHBondContact O-CB 3.44Å; L154-I158 VanDerWaalsContact O-CG1 3.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 2.93Å |
| 155 | K | 91.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 92.9 Ų | 92.9 | 46% | 0.457 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 176.4 | -78.6 | 173.7 | -178.8 | 172 | 0 | 111.7 | E151 K152 L153 K157 I158 L159 | E151-K155 HydrophobicContact CG-CD 4.28Å; E151-K155 WeakPolarHBondContact O-CB 3.47Å; E151-K155 VanDerWaalsContact O-CG 3.27Å; E151-K155 WeakPolarHBondContact O-CG 3.46Å; E151-K155 PolarHBondContact O-N 3.12Å; E151-K155 WeakPolarHBondContact OE1-CE 3.46Å; E151-K155 IonicContact OE1-NZ 2.59Å; E151-K155 PolarHBondContact OE1-NZ 3.49Å; K152-K155 PolarHBondContact O-N 3.38Å; L153-K155 VanDerWaalsContact C-N 3.35Å; L153-K155 PolarHBondContact O-N 3.31Å; K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 PolarHBondContact O-N 3.18Å; K155-I158 PolarHBondContact O-N 3.38Å; K155-L159 HydrophobicContact CB-CD1 4.49Å; K155-L159 VanDerWaalsContact O-CB 3.24Å; K155-L159 WeakPolarHBondContact O-CB 3.21Å; K155-L159 WeakPolarHBondContact O-CG 3.24Å; K155-L159 PolarHBondContact O-N 3.14Å |
| 156 | V | 93.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | K152 L153 L154 Q160 | K152-V156 WeakPolarHBondContact O-CG2 3.39Å; K152-V156 PolarHBondContact O-N 2.98Å; L153-V156 PolarHBondContact O-N 2.86Å; L154-V156 PolarHBondContact O-N 3.32Å; V156-Q160 WeakPolarHBondContact O-CG 3.41Å; V156-Q160 PolarHBondContact O-N 3.44Å |
| 157 | K | 92 | Very high | 93.5 | Very high | 67 Ų | 67 | 92.5 Ų | 92.5 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | -178.4 | -174.7 | 57 | 173.7 | 170.2 | 0 | 112.7 | I136 L153 L154 K155 Y161 | I136-K157 HydrophobicContact CD1-CB 3.74Å; I136-K157 HydrophobicContact CD1-CG 4.09Å; L153-K157 WeakPolarHBondContact O-CB 3.17Å; L153-K157 PolarHBondContact O-N 3.47Å; L154-K157 PolarHBondContact O-N 3.12Å; K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 PolarHBondContact O-N 3.18Å; K157-Y161 PolarHBondContact NZ-OH 3.34Å; K157-Y161 WeakPolarHBondContact O-CD2 3.03Å; K157-Y161 VanDerWaalsContact O-CE2 3.23Å; K157-Y161 WeakPolarHBondContact O-CE2 3.5Å |
| 158 | I | 93.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 91.7 Ų | 91.7 | 21% | 0.205 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.5 | -44.1 | -177.4 | -68.4 | 167.2 | 0 | 0 | 0 | 110.9 | L154 K155 Q160 Y161 Y167 F170 L171 L174 | L154-I158 HydrophobicContact CB-CD1 4.42Å; L154-I158 WeakPolarHBondContact O-CB 3.44Å; L154-I158 VanDerWaalsContact O-CG1 3.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 2.93Å; K155-I158 PolarHBondContact O-N 3.38Å; I158-Q160 PolarHBondContact O-N 2.92Å; I158-Y161 PolarHBondContact O-N 3.42Å; I158-Y161 VanDerWaalsContact O-N 3.15Å; I158-Y167 HydrophobicContact CG2-CE2 3.82Å; I158-Y167 WeakPolarHBondContact O-CE2 3.43Å; I158-F170 HydrophobicContact CG2-CE1 4.14Å; I158-L171 HydrophobicContact CG2-CD2 3.96Å; I158-L174 HydrophobicContact CD1-CD2 4.18Å |
| 159 | L | 94.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 92.7 Ų | 92.7 | 45% | 0.45 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.4 | -19.6 | -176.9 | -71.7 | 171.2 | 0 | 0 | 0 | 113.8 | K155 Y161 E162 | K155-L159 HydrophobicContact CB-CD1 4.49Å; K155-L159 VanDerWaalsContact O-CB 3.24Å; K155-L159 WeakPolarHBondContact O-CB 3.21Å; K155-L159 WeakPolarHBondContact O-CG 3.24Å; K155-L159 PolarHBondContact O-N 3.14Å; L159-Y161 PolarHBondContact O-N 2.93Å; L159-E162 WeakPolarHBondContact O-CB 3.46Å; L159-E162 WeakPolarHBondContact O-CG 3.41Å; L159-E162 PolarHBondContact O-N 2.94Å; L159-E162 VanDerWaalsContact O-N 3.12Å |
| 160 | Q | 95.1 | Very high | 94 | Very high | 109 Ų | 109 | 91.8 Ų | 91.8 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.2 | 172.1 | -76.6 | 167.9 | 13.7 | 0 | 0 | 112.8 | V156 I158 | V156-Q160 WeakPolarHBondContact O-CG 3.41Å; V156-Q160 PolarHBondContact O-N 3.44Å; I158-Q160 PolarHBondContact O-N 2.92Å |
| 161 | Y | 94.6 | Very high | 94.2 | Very high | 120 Ų | 120 | 91.2 Ų | 91.2 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 11.7 | -175.2 | -51 | -72.4 | 0 | 0 | 0 | 113.4 | K157 I158 L159 K163 S164 Y167 | K157-Y161 PolarHBondContact NZ-OH 3.34Å; K157-Y161 WeakPolarHBondContact O-CD2 3.03Å; K157-Y161 VanDerWaalsContact O-CE2 3.23Å; K157-Y161 WeakPolarHBondContact O-CE2 3.5Å; I158-Y161 PolarHBondContact O-N 3.42Å; I158-Y161 VanDerWaalsContact O-N 3.15Å; L159-Y161 PolarHBondContact O-N 2.93Å; Y161-K163 PolarHBondContact O-N 3.03Å; Y161-S164 WeakPolarHBondContact O-CB 3.27Å; Y161-S164 PolarHBondContact O-N 2.98Å; Y161-Y167 WeakPolarHBondContact O-CD2 3.26Å |
| 162 | E | 94.3 | Very high | 94.3 | Very high | 115 Ų | 115 | 93.6 Ų | 93.6 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.4 | -174.3 | 71 | 175.9 | -174.7 | 0 | 0 | 114.4 | L159 Y167 | L159-E162 WeakPolarHBondContact O-CB 3.46Å; L159-E162 WeakPolarHBondContact O-CG 3.41Å; L159-E162 PolarHBondContact O-N 2.94Å; L159-E162 VanDerWaalsContact O-N 3.12Å; E162-Y167 HydrophobicContact CB-CD1 4.46Å; E162-Y167 HydrophobicContact CB-CE1 4.16Å |
| 163 | K | 94.8 | Very high | 94.5 | Very high | 188 Ų | 188 | 90 Ų | 90 | 82% | 0.817 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.3 | -179.7 | -60.6 | -179.1 | -175.7 | 170.8 | 0 | 113.1 | Y161 | Y161-K163 PolarHBondContact O-N 3.03Š|
| 164 | S | 96.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 89.9 Ų | 89.9 | 37% | 0.371 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -69.4 | 137.3 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | Y161 H166 Y167 | Y161-S164 WeakPolarHBondContact O-CB 3.27Å; Y161-S164 PolarHBondContact O-N 2.98Å; S164-H166 PolarHBondContact O-N 3.29Å; S164-H166 VanDerWaalsContact O-N 3.16Å; S164-H166 PolarHBondContact OG-N 3.18Å; S164-Y167 WeakPolarHBondContact O-CB 3.43Å; S164-Y167 PolarHBondContact O-N 3.49Å |
| 165 | V | 96.7 | Very high | 94.8 | Very high | 131 Ų | 131 | 91.9 Ų | 91.9 | 79% | 0.794 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.6 | 173.6 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | Y167 | V165-Y167 VanDerWaalsContact C-N 3.34Š|
| 166 | H | 95.7 | Very high | 94.9 | Very high | 138 Ų | 138 | 95.1 Ų | 95.1 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.3 | 178.9 | -57.4 | -62.8 | 0 | 0 | 0 | 113.4 | S164 S168 S169 F170 | S164-H166 PolarHBondContact O-N 3.29Å; S164-H166 VanDerWaalsContact O-N 3.16Å; S164-H166 PolarHBondContact OG-N 3.18Å; H166-S168 VanDerWaalsContact C-N 3.35Å; H166-S168 PolarHBondContact O-N 2.92Å; H166-S169 PolarHBondContact O-N 3.45Å; H166-F170 WeakPolarHBondContact O-CB 3.29Å; H166-F170 PolarHBondContact O-N 3.27Å |
| 167 | Y | 96.7 | Very high | 95 | Very high | 41 Ų | 41 | 96.9 Ų | 96.9 | 16% | 0.161 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | -171.4 | -173.4 | -110.7 | 0 | 0 | 0 | 113 | I158 Y161 E162 S164 V165 F170 L171 | I158-Y167 HydrophobicContact CG2-CE2 3.82Å; I158-Y167 WeakPolarHBondContact O-CE2 3.43Å; Y161-Y167 WeakPolarHBondContact O-CD2 3.26Å; E162-Y167 HydrophobicContact CB-CD1 4.46Å; E162-Y167 HydrophobicContact CB-CE1 4.16Å; S164-Y167 WeakPolarHBondContact O-CB 3.43Å; S164-Y167 PolarHBondContact O-N 3.49Å; V165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-F170 HydrophobicContact CD2-CD1 4.41Å; Y167-F170 PolarHBondContact O-N 3.09Å; Y167-L171 HydrophobicContact CD1-CD1 3.93Å; Y167-L171 HydrophobicContact CD1-CG 4.43Å; Y167-L171 HydrophobicContact CE1-CD1 3.36Å; Y167-L171 HydrophobicContact CE1-CG 4.09Å; Y167-L171 HydrophobicContact CE2-CD1 4.31Å; Y167-L171 HydrophobicContact CE2-CD2 4.35Å; Y167-L171 HydrophobicContact CE2-CG 4.23Å; Y167-L171 WeakPolarHBondContact O-CG 3.47Å; Y167-L171 PolarHBondContact O-N 3.25Å |
| 168 | S | 94.7 | Very high | 95.1 | Very high | 93 Ų | 93 | 98.7 Ų | 98.7 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 179.9 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | H166 L171 E172 | H166-S168 VanDerWaalsContact C-N 3.35Å; H166-S168 PolarHBondContact O-N 2.92Å; S168-L171 PolarHBondContact O-N 3.4Å; S168-E172 PolarHBondContact O-N 3.41Å |
| 169 | S | 96.3 | Very high | 95.2 | Very high | 82 Ų | 82 | 97.8 Ų | 97.8 | 57% | 0.573 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | -179.8 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | H166 E172 S173 | H166-S169 PolarHBondContact O-N 3.45Å; S169-E172 PolarHBondContact O-N 3.13Å; S169-S173 PolarHBondContact O-N 3.07Å; S169-S173 VanDerWaalsContact O-N 3.12Å |
| 170 | F | 96.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 99.6 Ų | 99.6 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 172.9 | 162.5 | -105.8 | 0 | 0 | 0 | 111.9 | I158 H166 Y167 E172 S173 L174 | I158-F170 HydrophobicContact CG2-CE1 4.14Å; H166-F170 WeakPolarHBondContact O-CB 3.29Å; H166-F170 PolarHBondContact O-N 3.27Å; Y167-F170 HydrophobicContact CD2-CD1 4.41Å; Y167-F170 PolarHBondContact O-N 3.09Å; F170-E172 VanDerWaalsContact C-N 3.32Å; F170-E172 PolarHBondContact O-N 3.4Å; F170-S173 PolarHBondContact O-N 2.85Å; F170-L174 HydrophobicContact CE1-CD2 4.1Å; F170-L174 HydrophobicContact CE2-CB 4.45Å; F170-L174 HydrophobicContact CE2-CD2 4.38Å; F170-L174 HydrophobicContact CZ-CD2 3.75Å; F170-L174 VanDerWaalsContact O-CB 3.26Å; F170-L174 WeakPolarHBondContact O-CB 3.28Å; F170-L174 PolarHBondContact O-N 3.32Å |
| 171 | L | 95.3 | Very high | 95.1 | Very high | 36 Ų | 36 | 99.5 Ų | 99.5 | 19% | 0.188 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 179.1 | -75.7 | -176.1 | 0 | 0 | 0 | 112 | I158 Y167 S168 L174 F175 | I158-L171 HydrophobicContact CG2-CD2 3.96Å; Y167-L171 HydrophobicContact CD1-CD1 3.93Å; Y167-L171 HydrophobicContact CD1-CG 4.43Å; Y167-L171 HydrophobicContact CE1-CD1 3.36Å; Y167-L171 HydrophobicContact CE1-CG 4.09Å; Y167-L171 HydrophobicContact CE2-CD1 4.31Å; Y167-L171 HydrophobicContact CE2-CD2 4.35Å; Y167-L171 HydrophobicContact CE2-CG 4.23Å; Y167-L171 WeakPolarHBondContact O-CG 3.47Å; Y167-L171 PolarHBondContact O-N 3.25Å; S168-L171 PolarHBondContact O-N 3.4Å; L171-L174 PolarHBondContact O-N 3.14Å; L171-F175 HydrophobicContact CB-CD2 4.22Å; L171-F175 HydrophobicContact CB-CE2 4.06Å; L171-F175 HydrophobicContact CD2-CE2 3.95Å; L171-F175 HydrophobicContact CD2-CZ 4.4Å; L171-F175 HydrophobicContact CG-CE2 4.41Å; L171-F175 WeakPolarHBondContact O-CB 3.27Å; L171-F175 WeakPolarHBondContact O-CD2 3.41Å; L171-F175 WeakPolarHBondContact O-CG 3.24Å; L171-F175 PolarHBondContact O-N 2.9Å |
| 172 | E | 93.6 | Very high | 95.1 | Very high | 148 Ų | 148 | 97 Ų | 97 | 69% | 0.692 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.4 | -49.5 | 178 | -173.8 | -177.2 | 167.4 | 0 | 0 | 112 | S168 S169 F170 R176 | S168-E172 PolarHBondContact O-N 3.41Å; S169-E172 PolarHBondContact O-N 3.13Å; F170-E172 VanDerWaalsContact C-N 3.32Å; F170-E172 PolarHBondContact O-N 3.4Å; E172-R176 WeakPolarHBondContact O-CB 3.27Å; E172-R176 PolarHBondContact O-N 3.3Å; E172-R176 VanDerWaalsContact O-N 3.14Å |
| 173 | S | 96.2 | Very high | 95.2 | Very high | 57 Ų | 57 | 98.2 Ų | 98.2 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.1 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | S169 F170 F175 R176 E177 | S169-S173 PolarHBondContact O-N 3.07Å; S169-S173 VanDerWaalsContact O-N 3.12Å; F170-S173 PolarHBondContact O-N 2.85Å; S173-F175 PolarHBondContact O-N 3.37Å; S173-R176 PolarHBondContact O-N 3.15Å; S173-E177 WeakPolarHBondContact O-CG 3.49Å; S173-E177 PolarHBondContact O-N 3.22Å; S173-E177 PolarHBondContact OG-OE1 3.02Å |
| 174 | L | 95.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 94 Ų | 94 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59 | -50.4 | -179.7 | -179.4 | 68.9 | 0 | 0 | 0 | 111.5 | I158 F170 L171 R176 E177 L178 | I158-L174 HydrophobicContact CD1-CD2 4.18Å; F170-L174 HydrophobicContact CE1-CD2 4.1Å; F170-L174 HydrophobicContact CE2-CB 4.45Å; F170-L174 HydrophobicContact CE2-CD2 4.38Å; F170-L174 HydrophobicContact CZ-CD2 3.75Å; F170-L174 VanDerWaalsContact O-CB 3.26Å; F170-L174 WeakPolarHBondContact O-CB 3.28Å; F170-L174 PolarHBondContact O-N 3.32Å; L171-L174 PolarHBondContact O-N 3.14Å; L174-R176 VanDerWaalsContact C-N 3.31Å; L174-R176 PolarHBondContact O-N 3.14Å; L174-E177 PolarHBondContact O-N 2.67Å; L174-L178 HydrophobicContact CD1-CD1 4.14Å; L174-L178 HydrophobicContact CD1-CG 4.28Å; L174-L178 HydrophobicContact CD2-CD1 4.5Å; L174-L178 HydrophobicContact CG-CD1 3.91Å; L174-L178 HydrophobicContact CG-CG 4.39Å; L174-L178 WeakPolarHBondContact O-CB 3.06Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 3Å |
| 175 | F | 94.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 97.7 Ų | 97.7 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -35.8 | -179.9 | -74 | -56 | 0 | 0 | 0 | 112.3 | L171 S173 C179 | L171-F175 HydrophobicContact CB-CD2 4.22Å; L171-F175 HydrophobicContact CB-CE2 4.06Å; L171-F175 HydrophobicContact CD2-CE2 3.95Å; L171-F175 HydrophobicContact CD2-CZ 4.4Å; L171-F175 HydrophobicContact CG-CE2 4.41Å; L171-F175 WeakPolarHBondContact O-CB 3.27Å; L171-F175 WeakPolarHBondContact O-CD2 3.41Å; L171-F175 WeakPolarHBondContact O-CG 3.24Å; L171-F175 PolarHBondContact O-N 2.9Å; S173-F175 PolarHBondContact O-N 3.37Å; F175-C179 VanDerWaalsContact O-CB 3.29Å; F175-C179 WeakPolarHBondContact O-CB 3.31Å; F175-C179 PolarHBondContact O-N 3.37Å; F175-C179 PolarHBondContact O-SG 3.14Å |
| 176 | R | 93.8 | Very high | 95.1 | Very high | 174 Ų | 174 | 94.4 Ų | 94.4 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 175.2 | -178.4 | 174.7 | 176.9 | -89.8 | -1.6 | 111.5 | E172 S173 L174 C179 I180 | E172-R176 WeakPolarHBondContact O-CB 3.27Å; E172-R176 PolarHBondContact O-N 3.3Å; E172-R176 VanDerWaalsContact O-N 3.14Å; S173-R176 PolarHBondContact O-N 3.15Å; L174-R176 VanDerWaalsContact C-N 3.31Å; L174-R176 PolarHBondContact O-N 3.14Å; R176-C179 PolarHBondContact O-N 2.64Å; R176-I180 PolarHBondContact O-N 3.37Å |
| 177 | E | 95.6 | Very high | 95.1 | Very high | 119 Ų | 119 | 91.7 Ų | 91.7 | 56% | 0.556 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.2 | -43.3 | 178.5 | -73.1 | 174.4 | -158.1 | 0 | 0 | 112.1 | S173 L174 C179 I180 | S173-E177 WeakPolarHBondContact O-CG 3.49Å; S173-E177 PolarHBondContact O-N 3.22Å; S173-E177 PolarHBondContact OG-OE1 3.02Å; L174-E177 PolarHBondContact O-N 2.67Å; E177-C179 PolarHBondContact O-N 3.36Å; E177-I180 VanDerWaalsContact O-CG2 3.28Å; E177-I180 WeakPolarHBondContact O-CG2 3.42Å; E177-I180 PolarHBondContact O-N 3.28Å |
| 178 | L | 93.6 | Very high | 95 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -28.7 | 177.3 | -69.5 | 175.9 | 0 | 0 | 0 | 113.1 | L174 | L174-L178 HydrophobicContact CD1-CD1 4.14Å; L174-L178 HydrophobicContact CD1-CG 4.28Å; L174-L178 HydrophobicContact CD2-CD1 4.5Å; L174-L178 HydrophobicContact CG-CD1 3.91Å; L174-L178 HydrophobicContact CG-CG 4.39Å; L174-L178 WeakPolarHBondContact O-CB 3.06Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 3Å |
| 179 | C | 94.9 | Very high | 95 | Very high | 20 Ų | 20 | 98 Ų | 98 | 14% | 0.135 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -96.9 | -5.6 | -176.7 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | F175 R176 E177 S181 L182 L187 | F175-C179 VanDerWaalsContact O-CB 3.29Å; F175-C179 WeakPolarHBondContact O-CB 3.31Å; F175-C179 PolarHBondContact O-N 3.37Å; F175-C179 PolarHBondContact O-SG 3.14Å; R176-C179 PolarHBondContact O-N 2.64Å; E177-C179 PolarHBondContact O-N 3.36Å; C179-S181 VanDerWaalsContact C-N 3.27Å; C179-S181 PolarHBondContact O-N 2.59Å; C179-L182 HydrophobicContact CB-CD1 4.04Å; C179-L182 WeakPolarHBondContact O-CB 3.48Å; C179-L182 PolarHBondContact O-N 3.17Å; C179-L182 VanDerWaalsContact O-N 3.17Å; C179-L187 HydrophobicContact CB-CD1 3.76Å |
| 180 | I | 95 | Very high | 94.9 | Very high | 125 Ų | 125 | 97.3 Ų | 97.3 | 64% | 0.641 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -29 | -171.2 | -158.1 | 167.3 | 0 | 0 | 0 | 113.4 | R176 E177 | R176-I180 PolarHBondContact O-N 3.37Å; E177-I180 VanDerWaalsContact O-CG2 3.28Å; E177-I180 WeakPolarHBondContact O-CG2 3.42Å; E177-I180 PolarHBondContact O-N 3.28Å |
| 181 | S | 94.1 | Very high | 94.8 | Very high | 106 Ų | 106 | 95.9 Ų | 95.9 | 74% | 0.741 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -1.4 | 179.5 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | C179 | C179-S181 VanDerWaalsContact C-N 3.27Å; C179-S181 PolarHBondContact O-N 2.59Å |
| 182 | L | 94.1 | Very high | 94.9 | Very high | 69 Ų | 69 | 97.5 Ų | 97.5 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -78.2 | 151.2 | -179.6 | -63.4 | 179.3 | 0 | 0 | 0 | 111.4 | C179 I190 | C179-L182 HydrophobicContact CB-CD1 4.04Å; C179-L182 WeakPolarHBondContact O-CB 3.48Å; C179-L182 PolarHBondContact O-N 3.17Å; C179-L182 VanDerWaalsContact O-N 3.17Å; L182-I190 HydrophobicContact CD1-CD1 3.46Å; L182-I190 VanDerWaalsContact CD1-CD1 3.46Å |
| 183 | E | 96.2 | Very high | 95 | Very high | 139 Ų | 139 | 94.3 Ų | 94.3 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | trans | -68.4 | 156.4 | 171.8 | -63.5 | -176.1 | -179.1 | 0 | 0 | 111.6 | E185 D186 L187 | E183-E185 PolarHBondContact O-N 2.92Å; E183-D186 PolarHBondContact O-N 3.14Å; E183-D186 VanDerWaalsContact O-N 3.14Å; E183-L187 PolarHBondContact O-N 3.03Å | ||
| 184 | V | 94.8 | Very high | 94.9 | Very high | 99 Ų | 99 | 96 Ų | 96 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.2 | -34.5 | -176.8 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | K188 | V184-K188 HydrophobicContact CG1-CD 4.3Å; V184-K188 WeakPolarHBondContact O-CB 3.46Å; V184-K188 VanDerWaalsContact O-CG 3.26Å; V184-K188 WeakPolarHBondContact O-CG 3.39Å; V184-K188 PolarHBondContact O-N 2.99Å |
| 185 | E | 96.1 | Very high | 94.9 | Very high | 132 Ų | 132 | 97.4 Ų | 97.4 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -42.5 | 179.1 | -64.7 | -170.8 | 178.8 | 0 | 0 | 112.5 | E183 K188 K189 | E183-E185 PolarHBondContact O-N 2.92Å; E185-K188 WeakPolarHBondContact O-CB 3.44Å; E185-K188 PolarHBondContact O-N 3.13Å; E185-K189 WeakPolarHBondContact O-CG 3.49Å; E185-K189 PolarHBondContact O-N 3.14Å; E185-K189 VanDerWaalsContact O-N 3.11Å |
| 186 | D | 94.3 | Very high | 95.1 | Very high | 62 Ų | 62 | 97 Ų | 97 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.3 | -37.2 | 178.8 | -69.5 | -27.8 | 0 | 0 | 0 | 111.4 | E183 K188 K189 I190 | E183-D186 PolarHBondContact O-N 3.14Å; E183-D186 VanDerWaalsContact O-N 3.14Å; D186-K188 VanDerWaalsContact C-N 3.3Å; D186-K188 PolarHBondContact O-N 3.03Å; D186-K189 WeakPolarHBondContact O-CB 3.3Å; D186-K189 PolarHBondContact O-N 3.4Å; D186-K189 VanDerWaalsContact O-N 3.13Å; D186-K189 IonicContact OD1-NZ 2.64Å; D186-K189 PolarHBondContact OD1-NZ 3.34Å; D186-I190 WeakPolarHBondContact O-CG1 3.37Å; D186-I190 PolarHBondContact O-N 3.39Å |
| 187 | L | 95.2 | Very high | 95.2 | Very high | 80 Ų | 80 | 93.2 Ų | 93.2 | 42% | 0.419 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 171.6 | -173.1 | 66 | 0 | 0 | 0 | 111.8 | C179 E183 I190 S191 | C179-L187 HydrophobicContact CB-CD1 3.76Å; E183-L187 PolarHBondContact O-N 3.03Å; L187-I190 PolarHBondContact O-N 3.42Å; L187-S191 VanDerWaalsContact O-CB 3.3Å; L187-S191 WeakPolarHBondContact O-CB 3.4Å; L187-S191 PolarHBondContact O-N 2.64Å |
| 188 | K | 95.5 | Very high | 95.2 | Very high | 140 Ų | 140 | 91.8 Ų | 91.8 | 61% | 0.609 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 174.3 | -78.2 | 171.8 | 179.7 | 175.5 | 0 | 112.1 | V184 E185 D186 S192 | V184-K188 HydrophobicContact CG1-CD 4.3Å; V184-K188 WeakPolarHBondContact O-CB 3.46Å; V184-K188 VanDerWaalsContact O-CG 3.26Å; V184-K188 WeakPolarHBondContact O-CG 3.39Å; V184-K188 PolarHBondContact O-N 2.99Å; E185-K188 WeakPolarHBondContact O-CB 3.44Å; E185-K188 PolarHBondContact O-N 3.13Å; D186-K188 VanDerWaalsContact C-N 3.3Å; D186-K188 PolarHBondContact O-N 3.03Å; K188-S192 VanDerWaalsContact O-CB 3.31Å; K188-S192 WeakPolarHBondContact O-CB 3.4Å; K188-S192 PolarHBondContact O-N 2.94Å |
| 189 | K | 95.3 | Very high | 95.3 | Very high | 127 Ų | 127 | 90.8 Ų | 90.8 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -46.4 | 176.5 | -68.1 | 170.2 | -164.3 | 156.5 | 0 | 111.3 | E185 D186 S192 S193 | E185-K189 WeakPolarHBondContact O-CG 3.49Å; E185-K189 PolarHBondContact O-N 3.14Å; E185-K189 VanDerWaalsContact O-N 3.11Å; D186-K189 WeakPolarHBondContact O-CB 3.3Å; D186-K189 PolarHBondContact O-N 3.4Å; D186-K189 VanDerWaalsContact O-N 3.13Å; D186-K189 IonicContact OD1-NZ 2.64Å; D186-K189 PolarHBondContact OD1-NZ 3.34Å; K189-S192 PolarHBondContact O-N 3.48Å; K189-S193 PolarHBondContact O-N 2.95Å; K189-S193 VanDerWaalsContact O-N 3.09Å |
| 190 | I | 94.5 | Very high | 95.3 | Very high | 67 Ų | 67 | 95 Ų | 95 | 34% | 0.344 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 178.6 | -64 | 168.1 | 0 | 0 | 0 | 110.7 | L182 D186 L187 S192 S193 L194 | L182-I190 HydrophobicContact CD1-CD1 3.46Å; L182-I190 VanDerWaalsContact CD1-CD1 3.46Å; D186-I190 WeakPolarHBondContact O-CG1 3.37Å; D186-I190 PolarHBondContact O-N 3.39Å; L187-I190 PolarHBondContact O-N 3.42Å; I190-S192 VanDerWaalsContact C-N 3.34Å; I190-S192 PolarHBondContact O-N 3.17Å; I190-S193 WeakPolarHBondContact O-CB 3.27Å; I190-S193 PolarHBondContact O-N 2.76Å; I190-S193 VanDerWaalsContact O-N 3.14Å; I190-L194 PolarHBondContact O-N 3.42Å |
| 191 | S | 94.1 | Very high | 95.3 | Very high | 65 Ų | 65 | 95.1 Ų | 95.1 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | L187 S193 L194 T195 | L187-S191 VanDerWaalsContact O-CB 3.3Å; L187-S191 WeakPolarHBondContact O-CB 3.4Å; L187-S191 PolarHBondContact O-N 2.64Å; S191-S193 PolarHBondContact O-N 3.44Å; S191-L194 PolarHBondContact O-N 3.28Å; S191-T195 WeakPolarHBondContact O-CB 3.36Å; S191-T195 PolarHBondContact O-N 3.24Å; S191-T195 PolarHBondContact O-OG1 3.39Å |
| 192 | S | 96.6 | Very high | 95.3 | Very high | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | K188 K189 I190 L194 T195 V196 | K188-S192 VanDerWaalsContact O-CB 3.31Å; K188-S192 WeakPolarHBondContact O-CB 3.4Å; K188-S192 PolarHBondContact O-N 2.94Å; K189-S192 PolarHBondContact O-N 3.48Å; I190-S192 VanDerWaalsContact C-N 3.34Å; I190-S192 PolarHBondContact O-N 3.17Å; S192-L194 PolarHBondContact O-N 3.42Å; S192-T195 PolarHBondContact O-N 2.95Å; S192-V196 WeakPolarHBondContact O-CG2 3.49Å; S192-V196 PolarHBondContact O-N 3.48Å |
| 193 | S | 95.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 98.9 Ų | 98.9 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -45.2 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | K189 I190 S191 T195 V196 L197 | K189-S193 PolarHBondContact O-N 2.95Å; K189-S193 VanDerWaalsContact O-N 3.09Å; I190-S193 WeakPolarHBondContact O-CB 3.27Å; I190-S193 PolarHBondContact O-N 2.76Å; I190-S193 VanDerWaalsContact O-N 3.14Å; S191-S193 PolarHBondContact O-N 3.44Å; S193-T195 PolarHBondContact O-N 3.31Å; S193-V196 PolarHBondContact O-N 2.9Å; S193-L197 PolarHBondContact O-N 3.39Å; S193-L197 VanDerWaalsContact O-N 3.08Å |
| 194 | L | 94.5 | Very high | 95.1 | Very high | 94 Ų | 94 | 96.5 Ų | 96.5 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 176.2 | -69.2 | 177.2 | 0 | 0 | 0 | 112.6 | I190 S191 S192 L197 L198 | I190-L194 PolarHBondContact O-N 3.42Å; S191-L194 PolarHBondContact O-N 3.28Å; S192-L194 PolarHBondContact O-N 3.42Å; L194-L197 PolarHBondContact O-N 3.3Å; L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 PolarHBondContact O-N 3.06Å |
| 195 | T | 96 | Very high | 94.8 | Very high | 71 Ų | 71 | 96.6 Ų | 96.6 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.6 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S191 S192 S193 L198 N199 | S191-T195 WeakPolarHBondContact O-CB 3.36Å; S191-T195 PolarHBondContact O-N 3.24Å; S191-T195 PolarHBondContact O-OG1 3.39Å; S192-T195 PolarHBondContact O-N 2.95Å; S193-T195 PolarHBondContact O-N 3.31Å; T195-L198 PolarHBondContact O-N 2.93Å; T195-N199 PolarHBondContact O-N 3.27Å; T195-N199 PolarHBondContact O-ND2 3.05Å |
| 196 | V | 97.4 | Very high | 94.4 | Very high | 92 Ų | 92 | 97.6 Ų | 97.6 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | S192 S193 L198 N199 E200 | S192-V196 WeakPolarHBondContact O-CG2 3.49Å; S192-V196 PolarHBondContact O-N 3.48Å; S193-V196 PolarHBondContact O-N 2.9Å; V196-L198 PolarHBondContact O-N 3.21Å; V196-N199 PolarHBondContact O-N 3.08Å; V196-E200 PolarHBondContact O-N 3.34Å |
| 197 | L | 95.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 97.2 Ų | 97.2 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.7 | -176.2 | 145.5 | 0 | 0 | 0 | 112.4 | S193 L194 E200 K201 | S193-L197 PolarHBondContact O-N 3.39Å; S193-L197 VanDerWaalsContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.3Å; L197-E200 PolarHBondContact O-N 2.86Å; L197-K201 HydrophobicContact CD2-CG 4.22Å; L197-K201 WeakPolarHBondContact O-CG 3.31Å; L197-K201 PolarHBondContact O-N 3.44Å |
| 198 | L | 95.5 | Very high | 93.1 | Very high | 89 Ų | 89 | 98.9 Ų | 98.9 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 174.7 | 177.5 | 158.8 | 0 | 0 | 0 | 111 | L194 T195 V196 E200 K201 Q202 | L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 PolarHBondContact O-N 3.06Å; T195-L198 PolarHBondContact O-N 2.93Å; V196-L198 PolarHBondContact O-N 3.21Å; L198-E200 VanDerWaalsContact C-N 3.29Å; L198-E200 PolarHBondContact O-N 3.49Å; L198-K201 PolarHBondContact O-N 3.04Å; L198-Q202 VanDerWaalsContact CD2-CD 3.49Å; L198-Q202 HydrophobicContact CD2-CG 4.14Å; L198-Q202 WeakPolarHBondContact O-CG 3.26Å; L198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | N | 96.1 | Very high | 92 | Very high | 84 Ų | 84 | 98.5 Ų | 98.5 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 178.1 | -73.7 | -41.1 | 0 | 0 | 0 | 111.7 | T195 V196 K203 | T195-N199 PolarHBondContact O-N 3.27Å; T195-N199 PolarHBondContact O-ND2 3.05Å; V196-N199 PolarHBondContact O-N 3.08Å; N199-K203 WeakPolarHBondContact O-CB 3.47Å; N199-K203 PolarHBondContact O-N 3.09Å |
| 200 | E | 95.4 | Very high | 90.4 | Very high | 109 Ų | 109 | 94.7 Ų | 94.7 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 175.2 | -175.5 | 173.4 | -168.7 | 0 | 0 | 111.8 | V196 L197 L198 Q202 K203 Q204 | V196-E200 PolarHBondContact O-N 3.34Å; L197-E200 PolarHBondContact O-N 2.86Å; L198-E200 VanDerWaalsContact C-N 3.29Å; L198-E200 PolarHBondContact O-N 3.49Å; E200-Q202 PolarHBondContact O-N 3.48Å; E200-K203 PolarHBondContact O-N 3.11Å; E200-Q204 WeakPolarHBondContact O-CG 3.48Å; E200-Q204 PolarHBondContact O-N 2.95Å; E200-Q204 PolarHBondContact OE1-NE2 3.47Å |
| 201 | K | 94.1 | Very high | 88.7 | Confident | 127 Ų | 127 | 100.1 Ų | 100.1 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 177.2 | -71.6 | -69.7 | -175.1 | 178.9 | 0 | 112.2 | L197 L198 K203 Q204 E205 | L197-K201 HydrophobicContact CD2-CG 4.22Å; L197-K201 WeakPolarHBondContact O-CG 3.31Å; L197-K201 PolarHBondContact O-N 3.44Å; L198-K201 PolarHBondContact O-N 3.04Å; K201-K203 VanDerWaalsContact C-N 3.33Å; K201-K203 PolarHBondContact O-N 3.33Å; K201-Q204 PolarHBondContact O-N 2.95Å; K201-E205 PolarHBondContact O-N 2.87Å |
| 202 | Q | 93.8 | Very high | 86.9 | Confident | 92 Ų | 92 | 106 Ų | 106 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 175.9 | -72.8 | -177.1 | -9.4 | 0 | 0 | 112.4 | L198 E200 E205 K206 | L198-Q202 VanDerWaalsContact CD2-CD 3.49Å; L198-Q202 HydrophobicContact CD2-CG 4.14Å; L198-Q202 WeakPolarHBondContact O-CG 3.26Å; L198-Q202 PolarHBondContact O-N 3.46Å; E200-Q202 PolarHBondContact O-N 3.48Å; Q202-E205 PolarHBondContact O-N 3.41Å; Q202-K206 WeakPolarHBondContact O-CG 3.43Å; Q202-K206 PolarHBondContact O-N 3.02Å |
| 203 | K | 94.4 | Very high | 85 | Confident | 163 Ų | 163 | 111.7 Ų | 111.7 | 71% | 0.709 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.5 | -42.6 | 176.3 | -173.1 | 179.3 | 179.5 | -178.6 | 0 | 111.6 | N199 E200 K201 E205 K206 A207 | N199-K203 WeakPolarHBondContact O-CB 3.47Å; N199-K203 PolarHBondContact O-N 3.09Å; E200-K203 PolarHBondContact O-N 3.11Å; K201-K203 VanDerWaalsContact C-N 3.33Å; K201-K203 PolarHBondContact O-N 3.33Å; K203-E205 VanDerWaalsContact C-N 3.34Å; K203-K206 PolarHBondContact O-N 3.5Å; K203-A207 WeakPolarHBondContact O-CB 3.47Å; K203-A207 PolarHBondContact O-N 3.19Å |
| 204 | Q | 91.7 | Very high | 83.1 | Confident | 88 Ų | 88 | 117.2 Ų | 117.2 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -43.6 | 175.1 | -70.6 | 177.5 | 13.6 | 0 | 0 | 111.1 | E200 K201 A207 I208 | E200-Q204 WeakPolarHBondContact O-CG 3.48Å; E200-Q204 PolarHBondContact O-N 2.95Å; E200-Q204 PolarHBondContact OE1-NE2 3.47Å; K201-Q204 PolarHBondContact O-N 2.95Å; Q204-A207 PolarHBondContact O-N 3.46Å; Q204-I208 WeakPolarHBondContact O-CD1 3.4Å; Q204-I208 VanDerWaalsContact O-CG1 3.27Å; Q204-I208 WeakPolarHBondContact O-CG1 3.35Å; Q204-I208 PolarHBondContact O-N 3.42Å |
| 205 | E | 88.6 | Confident | 81 | Confident | 102 Ų | 102 | 123 Ų | 123 | 48% | 0.477 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.5 | -44.4 | 178.1 | -161.5 | -166.8 | 150.3 | 0 | 0 | 112.3 | K201 Q202 K203 A207 I208 K209 | K201-E205 PolarHBondContact O-N 2.87Å; Q202-E205 PolarHBondContact O-N 3.41Å; K203-E205 VanDerWaalsContact C-N 3.34Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 2.94Å; E205-I208 PolarHBondContact O-N 3.41Å; E205-K209 WeakPolarHBondContact O-CG 3.4Å; E205-K209 PolarHBondContact O-N 3.33Å; E205-K209 WeakPolarHBondContact OE1-CE 3.38Å; E205-K209 IonicContact OE1-NZ 2.76Å; E205-K209 PolarHBondContact OE1-NZ 3.24Å |
| 206 | K | 87.3 | Confident | 78.6 | Confident | 153 Ų | 153 | 123.2 Ų | 123.2 | 67% | 0.665 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.5 | -38.4 | 174.5 | -72.9 | 176.1 | -178.1 | 177.7 | 0 | 112 | Q202 K203 K209 G210 | Q202-K206 WeakPolarHBondContact O-CG 3.43Å; Q202-K206 PolarHBondContact O-N 3.02Å; K203-K206 PolarHBondContact O-N 3.5Å; K206-K209 PolarHBondContact O-N 2.99Å; K206-G210 PolarHBondContact O-N 3Å |
| 207 | A | 83.8 | Confident | 76.1 | Confident | 54 Ų | 54 | 123 Ų | 123 | 45% | 0.446 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.6 | -37.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | K203 Q204 E205 G210 K211 | K203-A207 WeakPolarHBondContact O-CB 3.47Å; K203-A207 PolarHBondContact O-N 3.19Å; Q204-A207 PolarHBondContact O-N 3.46Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-A207 PolarHBondContact O-N 2.94Å; A207-G210 PolarHBondContact O-N 2.94Å; A207-K211 PolarHBondContact O-N 3.26Å |
| 208 | I | 78.4 | Confident | 74 | Confident | 114 Ų | 114 | 125.7 Ų | 125.7 | 59% | 0.585 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.7 | -43.6 | 174.4 | -67.4 | 163.1 | 0 | 0 | 0 | 110.4 | Q204 E205 K211 | Q204-I208 WeakPolarHBondContact O-CD1 3.4Å; Q204-I208 VanDerWaalsContact O-CG1 3.27Å; Q204-I208 WeakPolarHBondContact O-CG1 3.35Å; Q204-I208 PolarHBondContact O-N 3.42Å; E205-I208 PolarHBondContact O-N 3.41Å; I208-K211 PolarHBondContact O-N 3.01Å |
| 209 | K | 72.6 | Confident | 71.6 | Confident | 133 Ų | 133 | 129.1 Ų | 129.1 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.8 | -35.4 | 175.4 | -73.2 | 172.6 | 172.5 | 171.1 | 0 | 112.5 | E205 K206 | E205-K209 WeakPolarHBondContact O-CG 3.4Å; E205-K209 PolarHBondContact O-N 3.33Å; E205-K209 WeakPolarHBondContact OE1-CE 3.38Å; E205-K209 IonicContact OE1-NZ 2.76Å; E205-K209 PolarHBondContact OE1-NZ 3.24Å; K206-K209 PolarHBondContact O-N 2.99Å |
| 210 | G | 61.7 | Low | 69.2 | Low | 47 Ų | 47 | 128.7 Ų | 128.7 | 49% | 0.485 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -69.2 | -31.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | K206 A207 K212 K213 | K206-G210 PolarHBondContact O-N 3Å; A207-G210 PolarHBondContact O-N 2.94Å; G210-K212 VanDerWaalsContact C-N 3.35Å; G210-K212 PolarHBondContact O-N 2.96Å; G210-K213 PolarHBondContact O-N 3.44Å |
| 211 | K | 58.9 | Low | 66.3 | Low | 180 Ų | 180 | 127.3 Ų | 127.3 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.6 | -20.5 | 179 | -75.3 | -179.3 | -179.6 | -179.8 | 0 | 114.1 | A207 I208 K213 | A207-K211 PolarHBondContact O-N 3.26Å; I208-K211 PolarHBondContact O-N 3.01Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.46Å |
| 212 | K | 57.9 | Low | 64 | Low | 188 Ų | 188 | 124.9 Ų | 124.9 | 82% | 0.817 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -6.9 | 175.8 | -75.6 | -173.2 | 178.2 | 176.3 | 0 | 114.3 | G210 | G210-K212 VanDerWaalsContact C-N 3.35Å; G210-K212 PolarHBondContact O-N 2.96Å |
| 213 | K | 56.8 | Low | 61.4 | Low | 191 Ų | 191 | 129.5 Ų | 129.5 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 8.3 | -179.7 | -74 | -169 | 177.7 | -178.9 | 0 | 115.9 | G210 K211 | G210-K213 PolarHBondContact O-N 3.44Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.46Å |
| 214 | K | 54.7 | Low | 59 | Low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 73% | 0.731 | S | S | * | * | trans | -122 | 65.2 | 175.9 | -80.8 | -170.2 | 177.7 | -179.3 | 0 | 113.5 | ||||
| 215 | K | 50 | Low | 56.6 | Low | 215 Ų | 215 | 132.6 Ų | 132.6 | 94% | 0.935 | 75% | 0.753 | S | S | * | * | trans | -147.8 | 93.5 | 150.1 | -85.4 | -166.2 | -179.3 | 179.2 | 0 | 108.1 | ||||
| 216 | G | 45.6 | Very low | 54.4 | Low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 177.6 | 103.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 217 | A | 44.7 | Very low | 52.1 | Low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 68.5 | 83.6 | 169 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 218 | V | 51.3 | Low | 50.3 | Low | 149 Ų | 149 | 141.5 Ų | 141.5 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -77.5 | 105.2 | 135 | 170.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 219 | L | 46.7 | Very low | 48.7 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -121.2 | 101.3 | 155 | -71.7 | 165.9 | 0 | 0 | 0 | 102.7 | ||||
| 220 | G | 45.8 | Very low | 47.5 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | 84.2 | 90.9 | 76.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 221 | G | 34.2 | Very low | 47.1 | Very low | 80 Ų | 80 | 149.9 Ų | 149.9 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | 165.5 | 87.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 222 | G | 45.3 | Very low | 46.8 | Very low | 75 Ų | 75 | 145.4 Ų | 145.4 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -73.6 | 142.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 223 | M | 38.4 | Very low | 46.5 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 93% | 0.931 | 84% | 0.839 | S | S | * | * | trans | -160.4 | 126.6 | 145.1 | -153.1 | 74.8 | 84.5 | 0 | 0 | 109.1 | ||||
| 224 | K | 44.8 | Very low | 46.2 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 90% | 0.904 | 84% | 0.844 | S | S | * | * | trans | -76.4 | 138.1 | 167.4 | -68.2 | -170.8 | 179.5 | -179.8 | 0 | 109.2 | ||||
| 225 | A | 40.3 | Very low | 45.9 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -158.4 | 145.1 | 149 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 226 | K | 43.3 | Very low | 45.6 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 95% | 0.948 | 84% | 0.84 | S | S | * | * | trans | -80.6 | 157.4 | -176.2 | -122 | 175.8 | 173.4 | 179.8 | 0 | 111.2 | ||||
| 227 | G | 40 | Very low | 45.3 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | trans | 108.8 | 107.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 228 | K | 45 | Very low | 45.2 | Very low | 207 Ų | 207 | 148 Ų | 148 | 90% | 0.9 | 85% | 0.846 | S | S | * | * | 49.9 | 118.5 | 82.7 | -90.3 | -175.3 | 167.1 | -167.8 | 0 | 113.6 | |||||
| 229 | D | 45.8 | Very low | 44.6 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | 62.7 | 113.2 | 164.4 | -79.7 | -21.7 | 0 | 0 | 0 | 119.1 | ||||
| 230 | D | 46.6 | Very low | 44.4 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | -146.5 | 104 | 121.7 | -112.7 | -27.2 | 0 | 0 | 0 | 110 | |||||
| 231 | L | 54.2 | Low | 44.2 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -95.4 | 23.9 | -178.3 | 178.6 | 54.6 | 0 | 0 | 0 | 111.7 | ||||
| 232 | A | 51.2 | Low | 44.7 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | trans | -120.2 | 0.9 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 233 | D | 53.1 | Low | 45.1 | Very low | 156 Ų | 156 | 152 Ų | 152 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -130.4 | 18.4 | -166.2 | -156.4 | 37.7 | 0 | 0 | 0 | 117.4 | ||
| 234 | Y | 50.4 | Low | 45.6 | Very low | 239 Ų | 239 | 149.2 Ų | 149.2 | 94% | 0.937 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -147.5 | 49.3 | 173.4 | -142.4 | -92.3 | 0 | 0 | 0 | 113.9 | ||
| 235 | G | 47.5 | Very low | 45.8 | Very low | 77 Ų | 77 | 150.4 Ų | 150.4 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -138 | 66.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | E | 44.4 | Very low | 46.6 | Very low | 196 Ų | 196 | 153.4 Ų | 153.4 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -159 | 85.9 | 159.2 | -152.8 | 156 | -161.2 | 0 | 0 | 112.2 | ||||
| 237 | F | 39.3 | Very low | 47.7 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | -150.9 | 95 | 150.2 | -165 | -105.1 | 0 | 0 | 0 | 109.9 | ||||
| 238 | D | 41.8 | Very low | 48.4 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -77.6 | 142.2 | 168.2 | 178.3 | 32.8 | 0 | 0 | 0 | 109.9 | ||||
| 239 | G | 38.1 | Very low | 48.7 | Very low | 48 Ų | 48 | 155.9 Ų | 155.9 | 50% | 0.495 | 82% | 0.816 | S | S | . | * | trans | 115 | 87.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 240 | G | 42.4 | Very low | 48.9 | Very low | 73 Ų | 73 | 156.7 Ų | 156.7 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 46.8 | 103.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 241 | Y | 43.4 | Very low | 49 | Very low | 215 Ų | 215 | 156.4 Ų | 156.4 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -114.8 | 87.9 | 153.4 | -88.4 | -90.8 | 0 | 0 | 0 | 110.3 | ||||
| 242 | T | 44.5 | Very low | 48.7 | Very low | 121 Ų | 121 | 155.8 Ų | 155.8 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -68.1 | 133.8 | 150.8 | 13.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 243 | Q | 52.3 | Low | 48.5 | Very low | 168 Ų | 168 | 159.9 Ų | 159.9 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 78.3 | 146.2 | 148.3 | -131.8 | 157 | -7.1 | 0 | 0 | 117.3 | ||||
| 244 | D | 49.9 | Very low | 48.3 | Very low | 131 Ų | 131 | 160.1 Ų | 160.1 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 90.7 | 72.1 | 171.3 | -47.4 | -21.9 | 0 | 0 | 0 | 117.3 | ||||
| 245 | Y | 49.5 | Very low | 48.1 | Very low | 233 Ų | 233 | 154.9 Ų | 154.9 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -138.3 | 70.3 | 139.4 | -83.7 | -78.6 | 0 | 0 | 0 | 109.5 | ||||
| 246 | D | 55.6 | Low | 48.2 | Very low | 171 Ų | 171 | 160.4 Ų | 160.4 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -93.5 | 52.5 | 159 | -143.5 | 4.6 | 0 | 0 | 0 | 107.5 | ||||
| 247 | D | 66.9 | Low | 48.4 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | -159.2 | 85.6 | -178.9 | -159.2 | 12.5 | 0 | 0 | 0 | 112 | ||||
| 248 | F | 54.8 | Low | 49.2 | Very low | 202 Ų | 202 | 155.7 Ų | 155.7 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 85.3 | 156.8 | -167.7 | -100.5 | 0 | 0 | 0 | 109.4 | ||||
| 249 | M | 51.4 | Low | 49.9 | Very low | 224 Ų | 224 | 155.5 Ų | 155.5 | 100% | 1.103 | 80% | 0.8 | S | S | * | * | trans | -62.8 | 0 | 133.9 | -72.2 | -136.8 | -149 | 0 | 0 | 110.7 |
Retrieved 249 of 249 residues in 93.6 ms
(Link to these results)