| 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 | 44.2 | Very low | 39.3 | Very low | 241 Ų | 241 | 148.1 Ų | 148.1 | 100% | 1.187 | 81% | 0.808 | S | S | * | * | 0 | 84.8 | 0 | -82.6 | 135 | 162.1 | 0 | 0 | 105.9 | |||||
| 2 | D | 37.8 | Very low | 39.7 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -74.9 | 131.3 | 174.3 | -50.4 | -90.2 | 0 | 0 | 0 | 108.1 | ||||
| 3 | D | 49.3 | Very low | 40.5 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -133.1 | 101.6 | 156.8 | -103.2 | -52 | 0 | 0 | 0 | 108.6 | ||||
| 4 | N | 39.6 | Very low | 41.5 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 57% | 0.572 | 80% | 0.797 | S | S | * | * | trans | -89.9 | 118.3 | 172.9 | 164.2 | 81.5 | 0 | 0 | 0 | 107.6 | ||||
| 5 | F | 42.4 | Very low | 42 | Very low | 188 Ų | 188 | 147 Ų | 147 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -128.1 | 90.6 | 156.8 | -80.1 | -76.8 | 0 | 0 | 0 | 109.8 | ||||
| 6 | Q | 41.8 | Very low | 42.3 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -56 | 135.5 | 152.5 | -74.4 | 165.8 | 3.2 | 0 | 0 | 109.4 | ||||
| 7 | L | 38.7 | Very low | 42.8 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | trans | -127.6 | 107.6 | 155.2 | -150.7 | 74.3 | 0 | 0 | 0 | 107.9 | ||||
| 8 | E | 36.8 | Very low | 43.3 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -84.9 | 143.6 | 179.7 | -147.5 | -162.1 | 134 | 0 | 0 | 110.5 | ||||
| 9 | D | 35 | Very low | 43.5 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 53.8 | 143.4 | 145.7 | -155.9 | 27.6 | 0 | 0 | 0 | 122.4 | ||||
| 10 | G | 33.8 | Very low | 43.8 | Very low | 69 Ų | 69 | 143.6 Ų | 143.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 142.5 | 68.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 11 | G | 32.6 | Very low | 44.4 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | 101.4 | 133.8 | 124.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 12 | V | 44.2 | Very low | 44.4 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | 91.6 | 90.4 | 140.6 | -169.7 | 0 | 0 | 0 | 0 | 117.1 | K14 | V12-K14 HydrophobicContact CG1-CD 3.85Å; V12-K14 HydrophobicContact CG1-CG 3.76Å; V12-K14 PolarHBondContact O-N 3.18Å | ||
| 13 | T | 50.5 | Low | 45.4 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -62.1 | 117.9 | 152.8 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 14 | K | 54.9 | Low | 45.5 | Very low | 166 Ų | 166 | 141 Ų | 141 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -125.3 | 103.5 | 164.1 | -82.8 | 169.9 | -179.1 | 171.7 | 0 | 109.4 | V12 I16 | V12-K14 HydrophobicContact CG1-CD 3.85Å; V12-K14 HydrophobicContact CG1-CG 3.76Å; V12-K14 PolarHBondContact O-N 3.18Å; K14-I16 PolarHBondContact O-N 3.2Å | ||
| 15 | N | 48.6 | Very low | 46.4 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -57.1 | 108.3 | 157.7 | 48 | -6.5 | 0 | 0 | 0 | 110.4 | ||||
| 16 | I | 47 | Very low | 46.4 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -110.6 | 103 | 167.3 | -88.5 | 156.5 | 0 | 0 | 0 | 108.4 | K14 | K14-I16 PolarHBondContact O-N 3.2Š| ||
| 17 | S | 50.1 | Low | 46.7 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -44.5 | 132.6 | 166.7 | 36 | 0 | 0 | 0 | 0 | 112.3 | T19 | S17-T19 PolarHBondContact O-N 3.32Š| ||
| 18 | Q | 52.5 | Low | 46.9 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -44.8 | 128.2 | 168.3 | -70.3 | 169.2 | -20.6 | 0 | 0 | 111.5 | ||||
| 19 | T | 46.9 | Very low | 47.3 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | trans | -132.1 | 117.3 | 156.4 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | S17 K21 | S17-T19 PolarHBondContact O-N 3.32Å; T19-K21 PolarHBondContact O-N 3.21Å; T19-K21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | A | 49.8 | Very low | 47.6 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -63 | 109.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S22 | A20-S22 PolarHBondContact O-N 3.5Š| ||
| 21 | K | 56.3 | Low | 47.7 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -85.4 | 98.7 | 175.7 | -103.9 | 153.9 | 177.6 | 163.5 | 0 | 109.6 | T19 | T19-K21 PolarHBondContact O-N 3.21Å; T19-K21 VanDerWaalsContact O-N 3.12Å | ||
| 22 | S | 44.8 | Very low | 47.9 | Very low | 116 Ų | 116 | 150 Ų | 150 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -54.5 | 132.3 | 163.8 | -179 | 0 | 0 | 0 | 0 | 110.7 | A20 | A20-S22 PolarHBondContact O-N 3.5Š| ||
| 23 | G | 57.6 | Low | 47.2 | Very low | 72 Ų | 72 | 149.7 Ų | 149.7 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -67.1 | 141 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 24 | R | 51.8 | Low | 46.4 | Very low | 249 Ų | 249 | 153.4 Ų | 153.4 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | trans | -102.5 | 90.7 | 163.4 | -70.8 | -177.2 | 175.4 | -163.5 | -1.6 | 107.9 | ||||
| 25 | R | 58.5 | Low | 45.4 | Very low | 249 Ų | 249 | 154.2 Ų | 154.2 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 127.3 | 164.5 | -95 | -177.3 | 177.2 | -108 | 1.5 | 108.6 | ||
| 26 | A | 42.8 | Very low | 44.7 | Very low | 97 Ų | 97 | 153 Ų | 153 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 27 | R | 48.6 | Very low | 44.3 | Very low | 248 Ų | 248 | 151 Ų | 151 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 131.8 | 160 | -67.3 | -174 | 127.8 | 125.4 | 0.6 | 108.2 | ||
| 28 | L | 41.4 | Very low | 43.8 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 135.9 | 163.1 | -74 | 167.8 | 0 | 0 | 0 | 108.7 | ||
| 29 | P | 46.8 | Very low | 43.2 | Very low | 121 Ų | 121 | 154.4 Ų | 154.4 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 142.8 | 162.8 | 32.8 | -28.7 | 0 | 0 | 0 | 110.5 | ||
| 30 | A | 40.8 | Very low | 42.7 | Very low | 92 Ų | 92 | 153.4 Ų | 153.4 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 140 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 31 | D | 35.2 | Very low | 42.1 | Very low | 134 Ų | 134 | 160.1 Ų | 160.1 | 72% | 0.717 | 83% | 0.828 | S | S | * | * | trans | -170.6 | 127.9 | 135.9 | -102.4 | -25.6 | 0 | 0 | 0 | 112.6 | ||||
| 32 | Q | 36.3 | Very low | 41.7 | Very low | 165 Ų | 165 | 160 Ų | 160 | 77% | 0.771 | 83% | 0.828 | S | S | * | * | trans | 61.7 | 134.2 | 136.5 | -56.8 | 170.9 | 38.1 | 0 | 0 | 118.1 | ||||
| 33 | S | 31.2 | Very low | 41.3 | Very low | 107 Ų | 107 | 160.6 Ų | 160.6 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | cis | -175.9 | 139.8 | 15.2 | 46.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 34 | F | 31.7 | Very low | 40.8 | Very low | 221 Ų | 221 | 162.4 Ų | 162.4 | 97% | 0.969 | 83% | 0.833 | S | S | * | * | trans | -152.4 | 142 | 155.2 | -125.9 | -87.9 | 0 | 0 | 0 | 110.3 | ||||
| 35 | E | 35.1 | Very low | 40.3 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -69.9 | 160.5 | -157.6 | -87.3 | -94.4 | 114.4 | 0 | 0 | 116.8 | ||||
| 36 | D | 32.9 | Very low | 39.5 | Very low | 131 Ų | 131 | 150 Ų | 150 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -56.3 | 144.9 | -179.9 | -169.9 | 17.9 | 0 | 0 | 0 | 115.7 | ||||
| 37 | S | 38.4 | Very low | 39.5 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | 170.9 | 90.5 | 127.8 | -76.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 38 | R | 40 | Very low | 38.9 | Very low | 237 Ų | 237 | 143.5 Ų | 143.5 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -145.7 | 141.3 | 154.3 | -72.6 | -165 | 178.3 | -176.3 | -1.4 | 111.6 | ||||
| 39 | P | 40.6 | Very low | 38.9 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 141.3 | -162.9 | 29.3 | -34.9 | 0 | 0 | 0 | 114.4 | R41 | P39-R41 PolarHBondContact O-N 3.07Š| ||
| 40 | A | 35.2 | Very low | 38.6 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -62.4 | 119 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 41 | R | 39 | Very low | 39.2 | Very low | 249 Ų | 249 | 145.7 Ų | 145.7 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | trans | -94 | 98.1 | 153.3 | -74.6 | -175.6 | 73.9 | -174.3 | 2.9 | 109 | P39 S43 | P39-R41 PolarHBondContact O-N 3.07Å; R41-S43 PolarHBondContact O-N 2.87Å | ||
| 42 | K | 47.5 | Very low | 40.4 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -59.7 | 121.6 | 167.8 | 21.9 | 178.2 | 167.3 | -170.5 | 0 | 110.2 | ||||
| 43 | S | 35.6 | Very low | 41.5 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -162 | 98.7 | 151.3 | -70.5 | 0 | 0 | 0 | 0 | 107.6 | R41 | R41-S43 PolarHBondContact O-N 2.87Š| ||
| 44 | S | 47.4 | Very low | 43.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -124.2 | 132.1 | 168.8 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 45 | T | 41.2 | Very low | 44.8 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -176.8 | 89.9 | 144.4 | 10.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 46 | S | 41.1 | Very low | 46.2 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | 63 | 95.3 | 95 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 47 | A | 43.5 | Very low | 47.7 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | 79.7 | 119.6 | 80.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 48 | S | 36.7 | Very low | 48.9 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -168.8 | 118.1 | 133.8 | -86 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 49 | I | 40.4 | Very low | 50 | Low | 172 Ų | 172 | 134.9 Ų | 134.9 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | 56.7 | 104.4 | 129 | -52.2 | 165.4 | 0 | 0 | 0 | 117.6 | |||||
| 50 | G | 41.8 | Very low | 51.3 | Low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -176.1 | 105.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G52 | G50-G52 PolarHBondContact O-N 2.83Š| ||
| 51 | D | 53.3 | Low | 52.3 | Low | 184 Ų | 184 | 143.4 Ų | 143.4 | 98% | 0.984 | 81% | 0.812 | S | S | * | * | trans | -61.8 | 117.8 | -178 | -159.2 | 11.8 | 0 | 0 | 0 | 110.8 | ||||
| 52 | G | 58.6 | Low | 53.1 | Low | 51 Ų | 51 | 134 Ų | 134 | 53% | 0.526 | 79% | 0.793 | S | S | . | * | S | Bend | trans | 169.7 | 141.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G50 | G50-G52 PolarHBondContact O-N 2.83Š|
| 53 | P | 61 | Low | 53.9 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 141.6 | 177.8 | 26 | -32.7 | 0 | 0 | 0 | 109.8 | S55 | P53-S55 PolarHBondContact O-N 3.18Š|
| 54 | P | 63.4 | Low | 54.8 | Low | 124 Ų | 124 | 134.3 Ų | 134.3 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 130.2 | -177.3 | 23.5 | -33 | 0 | 0 | 0 | 110.1 | K56 | P54-K56 PolarHBondContact O-N 3.28Š|
| 55 | S | 67.8 | Low | 54.9 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 129.6 | 176.6 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | P53 | P53-S55 PolarHBondContact O-N 3.18Š|
| 56 | K | 64.7 | Low | 55 | Low | 195 Ų | 195 | 133.6 Ų | 133.6 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.2 | 177.1 | -63.9 | 174.5 | -178.4 | 176.1 | 0 | 109.7 | P54 | P54-K56 PolarHBondContact O-N 3.28Š|
| 57 | P | 64 | Low | 55.6 | Low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 144.8 | 173.8 | 25.2 | -32.9 | 0 | 0 | 0 | 109.8 | R59 | P57-R59 PolarHBondContact O-N 3.31Å; P57-R59 VanDerWaalsContact O-N 3.1Å |
| 58 | A | 63.5 | Low | 56.1 | Low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 120.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R60 | A58-R60 PolarHBondContact O-N 3.42Š|
| 59 | R | 64.8 | Low | 56.7 | Low | 236 Ų | 236 | 136.6 Ų | 136.6 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -55.7 | 102.9 | 176.2 | -177.2 | -178.4 | -175.7 | -148 | 2 | 107.4 | P57 Q61 | P57-R59 PolarHBondContact O-N 3.31Å; P57-R59 VanDerWaalsContact O-N 3.1Å; R59-Q61 PolarHBondContact O-N 3.33Å | ||
| 60 | R | 66.1 | Low | 57 | Low | 238 Ų | 238 | 132 Ų | 132 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -59.2 | 108.7 | 169.1 | -69.6 | -177.5 | 176.7 | -88.3 | 1.2 | 106.2 | A58 G62 | A58-R60 PolarHBondContact O-N 3.42Å; R60-G62 PolarHBondContact O-N 3.14Å; R60-G62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | Q | 56.3 | Low | 56.8 | Low | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -59.5 | 114.8 | 161 | -93.5 | -169.8 | -47.7 | 0 | 0 | 106.2 | R59 | R59-Q61 PolarHBondContact O-N 3.33Š| ||
| 62 | G | 57.3 | Low | 56.3 | Low | 52 Ų | 52 | 129 Ų | 129 | 54% | 0.536 | 77% | 0.765 | S | S | . | * | trans | -61.8 | 134.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | R60 W64 | R60-G62 PolarHBondContact O-N 3.14Å; R60-G62 VanDerWaalsContact O-N 3.13Å; G62-W64 PolarHBondContact O-N 3.43Å | ||
| 63 | G | 62.9 | Low | 55.2 | Low | 76 Ų | 76 | 132.4 Ų | 132.4 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 41 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 64 | W | 55.3 | Low | 54.4 | Low | 252 Ų | 252 | 131 Ų | 131 | 96% | 0.955 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 2.5 | 172.1 | -69.3 | 94 | 0 | 0 | 0 | 112.3 | G62 | G62-W64 PolarHBondContact O-N 3.43Š|
| 65 | A | 49.6 | Very low | 53.5 | Low | 66 Ų | 66 | 135.2 Ų | 135.2 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | trans | -133.1 | 44.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E67 | A65-E67 PolarHBondContact O-N 3.29Š| ||
| 66 | E | 44.1 | Very low | 52.3 | Low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | -72.5 | 86 | 154.9 | -97 | -78.1 | 163.2 | 0 | 0 | 106.6 | S68 | E66-S68 VanDerWaalsContact C-N 3.26Å; E66-S68 PolarHBondContact O-N 3.42Å | ||
| 67 | E | 53.8 | Low | 51 | Low | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 94 | 161.9 | 58.5 | -167 | 174 | 0 | 0 | 107.3 | A65 S69 | A65-E67 PolarHBondContact O-N 3.29Å; E67-S69 PolarHBondContact O-N 3.04Å | ||
| 68 | S | 53 | Low | 50.2 | Low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -66.1 | 78.2 | 166 | -69.2 | 0 | 0 | 0 | 0 | 108.6 | E66 G70 | E66-S68 VanDerWaalsContact C-N 3.26Å; E66-S68 PolarHBondContact O-N 3.42Å; S68-G70 PolarHBondContact O-N 3.47Å | ||
| 69 | S | 48.7 | Very low | 49.4 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -70.4 | 109.3 | 166.7 | -68.7 | 0 | 0 | 0 | 0 | 107.2 | E67 | E67-S69 PolarHBondContact O-N 3.04Š| ||
| 70 | G | 47 | Very low | 48.6 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -59.3 | 146.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S68 | S68-G70 PolarHBondContact O-N 3.47Š| ||
| 71 | S | 38.1 | Very low | 47.4 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -166.8 | 122.5 | 140.4 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 72 | G | 42.2 | Very low | 46.9 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -67.6 | 161.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 73 | S | 35.5 | Very low | 46.7 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | -176.8 | 133.7 | 128.8 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 74 | A | 45.3 | Very low | 46.4 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -59.8 | 143.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 75 | K | 42.8 | Very low | 46.5 | Very low | 214 Ų | 214 | 138.7 Ų | 138.7 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -151.8 | 105 | 135.9 | -126.9 | 162.6 | 174.7 | 157.9 | 0 | 112.6 | ||||
| 76 | S | 43.4 | Very low | 47 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -39.7 | 131 | 162.2 | 171.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 77 | S | 36.7 | Very low | 47.7 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -165.2 | 103.4 | 133.2 | -160.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 78 | R | 47.9 | Very low | 48.1 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 47.8 | 103.5 | 147.7 | -80.1 | 176 | -98 | -154.2 | -9.1 | 119 | ||||
| 79 | R | 46.1 | Very low | 49 | Very low | 249 Ų | 249 | 143.8 Ų | 143.8 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | -169.5 | 118.8 | 101.9 | -93.2 | 172 | -162.3 | -149.2 | 4.9 | 108.8 | |||||
| 80 | R | 47.7 | Very low | 49.6 | Very low | 239 Ų | 239 | 146 Ų | 146 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 145.1 | 162 | -75.3 | -169.6 | -173.3 | 144.1 | -1 | 108.5 | ||||
| 81 | A | 42.1 | Very low | 50.7 | Low | 100 Ų | 100 | 149.5 Ų | 149.5 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 123 | 61.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 82 | A | 44.7 | Very low | 52 | Low | 101 Ų | 101 | 148.4 Ų | 148.4 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -155.3 | 22.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 83 | E | 54.5 | Low | 52.9 | Low | 176 Ų | 176 | 154.5 Ų | 154.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -103.2 | 66.9 | 175.7 | -69.4 | 163.8 | 165.2 | 0 | 0 | 107.5 | ||||
| 84 | D | 56.6 | Low | 54.2 | Low | 151 Ų | 151 | 153.1 Ų | 153.1 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -167.2 | 41.7 | 158.8 | -134.6 | 5.2 | 0 | 0 | 0 | 115.3 | ||
| 85 | L | 56.2 | Low | 54.9 | Low | 166 Ų | 166 | 153.5 Ų | 153.5 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -144 | 46.1 | 161.9 | -148 | 77.7 | 0 | 0 | 0 | 111.5 | D87 | L85-D87 PolarHBondContact O-N 3.23Å; L85-D87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | E | 61.8 | Low | 55.4 | Low | 152 Ų | 152 | 152.6 Ų | 152.6 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | trans | -68.1 | 102.6 | 156.6 | -68.2 | -167.9 | 178.7 | 0 | 0 | 107 | H88 | E86-H88 PolarHBondContact O-N 2.99Š| ||
| 87 | D | 58.2 | Low | 55.7 | Low | 83 Ų | 83 | 150.6 Ų | 150.6 | 44% | 0.444 | 76% | 0.761 | S | S | . | * | trans | -58.8 | 107.3 | 176.2 | -168.9 | -7.3 | 0 | 0 | 0 | 108.8 | L85 R89 L90 | L85-D87 PolarHBondContact O-N 3.23Å; L85-D87 VanDerWaalsContact O-N 3.09Å; D87-R89 PolarHBondContact O-N 3.28Å; D87-R89 WeakPolarHBondContact OD1-CB 3.19Å; D87-R89 VanDerWaalsContact OD1-CG 3.31Å; D87-R89 WeakPolarHBondContact OD1-CG 3.47Å; D87-R89 PolarHBondContact OD1-N 3.3Å; D87-L90 HydrophobicContact CB-CD1 4.3Å; D87-L90 HydrophobicContact CB-CG 4.35Å; D87-L90 PolarHBondContact O-N 3.12Å | ||
| 88 | H | 61.7 | Low | 56.4 | Low | 156 Ų | 156 | 150 Ų | 150 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -58.4 | -14.6 | -177.1 | -64.5 | -50.1 | 0 | 0 | 0 | 113.2 | E86 L90 | E86-H88 PolarHBondContact O-N 2.99Å; H88-L90 VanDerWaalsContact C-N 3.32Å |
| 89 | R | 71.2 | Confident | 56.7 | Low | 219 Ų | 219 | 147.6 Ų | 147.6 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -69.1 | -27.4 | 172.8 | -60.1 | 177.3 | 73.3 | -178.4 | 3 | 113.5 | D87 R91 | D87-R89 PolarHBondContact O-N 3.28Å; D87-R89 WeakPolarHBondContact OD1-CB 3.19Å; D87-R89 VanDerWaalsContact OD1-CG 3.31Å; D87-R89 WeakPolarHBondContact OD1-CG 3.47Å; D87-R89 PolarHBondContact OD1-N 3.3Å; R89-R91 VanDerWaalsContact C-N 3.35Å |
| 90 | L | 61.5 | Low | 57.2 | Low | 147 Ų | 147 | 141.9 Ų | 141.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -90.9 | -3.2 | -178.5 | -61.1 | 179.4 | 0 | 0 | 0 | 112.6 | D87 H88 | D87-L90 HydrophobicContact CB-CD1 4.3Å; D87-L90 HydrophobicContact CB-CG 4.35Å; D87-L90 PolarHBondContact O-N 3.12Å; H88-L90 VanDerWaalsContact C-N 3.32Å |
| 91 | R | 69.9 | Low | 57.7 | Low | 149 Ų | 149 | 134.6 Ų | 134.6 | 56% | 0.562 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -73.1 | 125.4 | 174.8 | -156.4 | 177.2 | -179.9 | 99.1 | 1.2 | 108.1 | R89 Q93 | R89-R91 VanDerWaalsContact C-N 3.35Å; R91-Q93 PolarHBondContact O-N 3.21Å |
| 92 | P | 67.1 | Low | 58.7 | Low | 97 Ų | 97 | 132.5 Ų | 132.5 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | trans | -57.1 | 118.7 | 175.8 | 21 | -30.1 | 0 | 0 | 0 | 108.7 | T94 | P92-T94 PolarHBondContact O-N 2.68Š| ||
| 93 | Q | 60.1 | Low | 59.9 | Low | 199 Ų | 199 | 134.9 Ų | 134.9 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -75.2 | 43.4 | 174.8 | -70.5 | -158.1 | -51.2 | 0 | 0 | 111.2 | R91 | R91-Q93 PolarHBondContact O-N 3.21Š| ||
| 94 | T | 62 | Low | 60.6 | Low | 96 Ų | 96 | 133.7 Ų | 133.7 | 59% | 0.589 | 73% | 0.733 | S | S | * | * | trans | -69.1 | 131.6 | 164.3 | 44 | 0 | 0 | 0 | 0 | 107.3 | P92 Q96 | P92-T94 PolarHBondContact O-N 2.68Å; T94-Q96 PolarHBondContact O-N 2.99Å | ||
| 95 | P | 60 | Low | 61.2 | Low | 100 Ų | 100 | 131.3 Ų | 131.3 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | -50.7 | 126.1 | 177.6 | -24.7 | 32.1 | 0 | 0 | 0 | 110.1 | G97 S98 | P95-G97 PolarHBondContact O-N 3.08Å; P95-S98 PolarHBondContact O-N 3.23Å; P95-S98 VanDerWaalsContact O-N 3.08Å | ||
| 96 | Q | 53.1 | Low | 62.1 | Low | 195 Ų | 195 | 129.6 Ų | 129.6 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 99.4 | 174.6 | -108.7 | 169.9 | -24.4 | 0 | 0 | 108.3 | T94 | T94-Q96 PolarHBondContact O-N 2.99Š|
| 97 | G | 51.8 | Low | 62.6 | Low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.8 | -7.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P95 | P95-G97 PolarHBondContact O-N 3.08Š|
| 98 | S | 51.2 | Low | 63.4 | Low | 82 Ų | 82 | 129.7 Ų | 129.7 | 57% | 0.573 | 73% | 0.731 | S | S | * | * | trans | -88.8 | 2.6 | -179.5 | 179.6 | 0 | 0 | 0 | 0 | 115.1 | P95 D100 | P95-S98 PolarHBondContact O-N 3.23Å; P95-S98 VanDerWaalsContact O-N 3.08Å; S98-D100 PolarHBondContact O-N 2.91Å | ||
| 99 | D | 54 | Low | 64 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | trans | -84.8 | 36.6 | 167.3 | -166.4 | 36.6 | 0 | 0 | 0 | 110.5 | ||||
| 100 | D | 55.4 | Low | 63.9 | Low | 129 Ų | 129 | 124 Ų | 124 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -89.8 | 112.7 | 155 | -172.1 | 34.7 | 0 | 0 | 0 | 104.4 | S98 G102 | S98-D100 PolarHBondContact O-N 2.91Å; D100-G102 PolarHBondContact O-N 3.22Å |
| 101 | G | 59.1 | Low | 64.1 | Low | 87 Ų | 87 | 125.8 Ų | 125.8 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -67 | 56.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 102 | G | 63 | Low | 63.8 | Low | 56 Ų | 56 | 126.4 Ų | 126.4 | 58% | 0.577 | 74% | 0.735 | S | S | * | * | trans | -171.7 | 55.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D100 | D100-G102 PolarHBondContact O-N 3.22Š| ||
| 103 | D | 69.8 | Low | 63.8 | Low | 150 Ų | 150 | 124.7 Ų | 124.7 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | -163.1 | 52.2 | 145.2 | -151.1 | 11.3 | 0 | 0 | 0 | 112.2 | P105 | D103-P105 WeakPolarHBondContact O-CD 3.31Š| ||
| 104 | I | 69.1 | Low | 63.7 | Low | 151 Ų | 151 | 121 Ų | 121 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -80.7 | 116.8 | 157.9 | -59.5 | 170.5 | 0 | 0 | 0 | 104.4 | V106 | I104-V106 PolarHBondContact O-N 3.1Š|
| 105 | P | 68.3 | Low | 63.7 | Low | 102 Ų | 102 | 124 Ų | 124 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | trans | -55.3 | 121.4 | 176.2 | 22.2 | -31.9 | 0 | 0 | 0 | 107.9 | D103 I107 | D103-P105 WeakPolarHBondContact O-CD 3.31Å; P105-I107 PolarHBondContact O-N 3.26Å | ||
| 106 | V | 75.6 | Confident | 63.8 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 79% | 0.788 | 71% | 0.709 | S | S | * | * | trans | -57.9 | 113.4 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | I104 P108 | I104-V106 PolarHBondContact O-N 3.1Å; V106-P108 VanDerWaalsContact O-CD 3.31Å; V106-P108 WeakPolarHBondContact O-CD 3.46Å | ||
| 107 | I | 72.1 | Confident | 64.2 | Low | 139 Ų | 139 | 119 Ų | 119 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.2 | 170.5 | -59.7 | 174.4 | 0 | 0 | 0 | 105 | P105 D109 | P105-I107 PolarHBondContact O-N 3.26Å; I107-D109 PolarHBondContact O-N 3.36Å |
| 108 | P | 75.4 | Confident | 64.9 | Low | 98 Ų | 98 | 120.5 Ų | 120.5 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 139.7 | 176.2 | 23.7 | -33.3 | 0 | 0 | 0 | 110 | V106 L110 | V106-P108 VanDerWaalsContact O-CD 3.31Å; V106-P108 WeakPolarHBondContact O-CD 3.46Å; P108-L110 PolarHBondContact O-N 3.17Å |
| 109 | D | 74.1 | Confident | 65.6 | Low | 108 Ų | 108 | 121.7 Ų | 121.7 | 58% | 0.578 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -66 | 133.5 | -175 | -66.1 | -40.7 | 0 | 0 | 0 | 110.7 | I107 E111 E112 | I107-D109 PolarHBondContact O-N 3.36Å; D109-E111 PolarHBondContact O-N 2.87Å; D109-E111 VanDerWaalsContact O-N 3.07Å; D109-E112 PolarHBondContact O-N 2.72Å |
| 110 | L | 69.8 | Low | 66.2 | Low | 146 Ų | 146 | 120.7 Ų | 120.7 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -8.2 | -178 | -70.9 | 169.7 | 0 | 0 | 0 | 113.8 | P108 | P108-L110 PolarHBondContact O-N 3.17Š|
| 111 | E | 64.9 | Low | 66.6 | Low | 185 Ų | 185 | 122.4 Ų | 122.4 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -20.1 | 176.3 | -72 | 168.8 | 174.6 | 0 | 0 | 112.8 | D109 V113 | D109-E111 PolarHBondContact O-N 2.87Å; D109-E111 VanDerWaalsContact O-N 3.07Å; E111-V113 VanDerWaalsContact C-N 3.3Å |
| 112 | E | 64.9 | Low | 67.1 | Low | 162 Ų | 162 | 123.4 Ų | 123.4 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -78.8 | -16.3 | 174.4 | -66.6 | -172.8 | 170.8 | 0 | 0 | 112.7 | D109 Q114 | D109-E112 PolarHBondContact O-N 2.72Å; E112-Q114 PolarHBondContact O-N 2.96Å |
| 113 | V | 65.2 | Low | 67.5 | Low | 61 Ų | 61 | 124.9 Ų | 124.9 | 37% | 0.37 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -74.3 | 109.1 | 168.9 | -168.5 | 0 | 0 | 0 | 0 | 106.5 | E111 E115 D117 L118 | E111-V113 VanDerWaalsContact C-N 3.3Å; V113-E115 PolarHBondContact O-N 3Å; V113-D117 HydrophobicContact CG1-CB 4.31Å; V113-L118 HydrophobicContact CG1-CD2 4.14Å; V113-L118 HydrophobicContact CG1-CG 4.36Å |
| 114 | Q | 59.4 | Low | 67.9 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | trans | -51 | 126.5 | 177.8 | -138.5 | 164.8 | 22 | 0 | 0 | 108.7 | E112 E116 D117 | E112-Q114 PolarHBondContact O-N 2.96Å; Q114-E116 HydrophobicContact CB-CB 4.45Å; Q114-E116 HydrophobicContact CG-CB 4.43Å; Q114-E116 WeakPolarHBondContact CG-OE2 3.48Å; Q114-E116 PolarHBondContact NE2-OE2 3.32Å; Q114-E116 PolarHBondContact O-N 3.1Å; Q114-E116 PolarHBondContact OE1-OE2 2.89Å; Q114-D117 PolarHBondContact O-N 3.19Å | ||
| 115 | E | 61.2 | Low | 68 | Low | 158 Ų | 158 | 120.7 Ų | 120.7 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -54.3 | -19.8 | -179.9 | -66.3 | -179.1 | 171.3 | 0 | 0 | 112.4 | V113 L118 | V113-E115 PolarHBondContact O-N 3Å; E115-L118 HydrophobicContact CB-CD1 4.46Å; E115-L118 HydrophobicContact CG-CD1 4.4Å |
| 116 | E | 61.4 | Low | 68 | Low | 119 Ų | 119 | 121.5 Ų | 121.5 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.9 | -43.6 | 171.4 | -67.3 | 131 | -143.7 | 0 | 0 | 113.1 | Q114 T119 M120 | Q114-E116 HydrophobicContact CB-CB 4.45Å; Q114-E116 HydrophobicContact CG-CB 4.43Å; Q114-E116 WeakPolarHBondContact CG-OE2 3.48Å; Q114-E116 PolarHBondContact NE2-OE2 3.32Å; Q114-E116 PolarHBondContact O-N 3.1Å; Q114-E116 PolarHBondContact OE1-OE2 2.89Å; E116-T119 PolarHBondContact O-N 2.8Å; E116-T119 PolarHBondContact O-OG1 3.05Å; E116-T119 VanDerWaalsContact O-OG1 3.14Å; E116-M120 WeakPolarHBondContact O-CB 3.33Å; E116-M120 PolarHBondContact O-N 3.13Å |
| 117 | D | 63.3 | Low | 67.6 | Low | 73 Ų | 73 | 126.2 Ų | 126.2 | 39% | 0.39 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -71.5 | -30.6 | 178.4 | -95.7 | -11.2 | 0 | 0 | 0 | 112.5 | V113 Q114 T119 M120 Q121 | V113-D117 HydrophobicContact CG1-CB 4.31Å; Q114-D117 PolarHBondContact O-N 3.19Å; D117-T119 PolarHBondContact O-N 2.97Å; D117-M120 PolarHBondContact O-N 2.88Å; D117-Q121 PolarHBondContact O-N 2.91Å |
| 118 | L | 65.4 | Low | 67.2 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 54% | 0.539 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -61.2 | -34.7 | 176.7 | -63.6 | 172.7 | 0 | 0 | 0 | 112 | V113 E115 | V113-L118 HydrophobicContact CG1-CD2 4.14Å; V113-L118 HydrophobicContact CG1-CG 4.36Å; E115-L118 HydrophobicContact CB-CD1 4.46Å; E115-L118 HydrophobicContact CG-CD1 4.4Å |
| 119 | T | 67.1 | Low | 66.7 | Low | 108 Ų | 108 | 129.6 Ų | 129.6 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -90.4 | -21.5 | -179.2 | 67.2 | 0 | 0 | 0 | 0 | 113.2 | E116 D117 | E116-T119 PolarHBondContact O-N 2.8Å; E116-T119 PolarHBondContact O-OG1 3.05Å; E116-T119 VanDerWaalsContact O-OG1 3.14Å; D117-T119 PolarHBondContact O-N 2.97Å |
| 120 | M | 65.6 | Low | 66.1 | Low | 147 Ų | 147 | 128.7 Ų | 128.7 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -87.6 | -22.6 | -175.1 | -145.5 | 170.8 | 63.9 | 0 | 0 | 113.2 | E116 D117 V122 | E116-M120 WeakPolarHBondContact O-CB 3.33Å; E116-M120 PolarHBondContact O-N 3.13Å; D117-M120 PolarHBondContact O-N 2.88Å; M120-V122 VanDerWaalsContact C-N 3.32Å |
| 121 | Q | 64.3 | Low | 65.6 | Low | 166 Ų | 166 | 127.1 Ų | 127.1 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 4 | 173.8 | -76.5 | -174.9 | 2.3 | 0 | 0 | 114.6 | D117 A123 | D117-Q121 PolarHBondContact O-N 2.91Å; Q121-A123 PolarHBondContact O-N 2.98Å |
| 122 | V | 69.3 | Low | 65.7 | Low | 108 Ų | 108 | 128 Ų | 128 | 66% | 0.655 | 67% | 0.668 | S | S | * | * | trans | -71.9 | 102.9 | 173 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | M120 S124 | M120-V122 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.01Å | ||
| 123 | A | 71.7 | Confident | 66 | Low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 130.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q121 | Q121-A123 PolarHBondContact O-N 2.98Š|
| 124 | S | 78.3 | Confident | 66.3 | Low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 135.1 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | V122 | V122-S124 PolarHBondContact O-N 3.01Š|
| 125 | P | 71.3 | Confident | 67.4 | Low | 111 Ų | 111 | 126.1 Ų | 126.1 | 72% | 0.721 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 133.1 | -179 | -25.8 | 32.2 | 0 | 0 | 0 | 110.8 | R127 | P125-R127 PolarHBondContact O-N 3.24Å; P125-R127 VanDerWaalsContact O-N 3.1Å |
| 126 | P | 68.9 | Low | 68.4 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122.4 | 179.4 | 21.9 | -31.5 | 0 | 0 | 0 | 109.2 | I128 | P126-I128 PolarHBondContact O-N 2.64Š|
| 127 | R | 66.5 | Low | 69.5 | Low | 230 Ų | 230 | 132.4 Ų | 132.4 | 87% | 0.868 | 68% | 0.682 | S | S | * | * | trans | -82.1 | 71.8 | -176.1 | -154.5 | 175.9 | 171.5 | -165.2 | -3.3 | 109 | P125 Q129 | P125-R127 PolarHBondContact O-N 3.24Å; P125-R127 VanDerWaalsContact O-N 3.1Å; R127-Q129 PolarHBondContact O-N 2.97Å | ||
| 128 | I | 63.8 | Low | 70.3 | Confident | 128 Ų | 128 | 132.1 Ų | 132.1 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | trans | -70.9 | 113.4 | -179.4 | -148.2 | 129.2 | 0 | 0 | 0 | 108.5 | P126 V130 | P126-I128 PolarHBondContact O-N 2.64Å; I128-V130 PolarHBondContact O-N 3.09Å | ||
| 129 | Q | 64.3 | Low | 71 | Confident | 179 Ų | 179 | 131.5 Ų | 131.5 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.3 | 13 | 179 | -66.4 | -169.5 | 0.5 | 0 | 0 | 112.9 | R127 | R127-Q129 PolarHBondContact O-N 2.97Š|
| 130 | V | 61.5 | Low | 71.7 | Confident | 89 Ų | 89 | 129.6 Ų | 129.6 | 54% | 0.539 | 66% | 0.663 | S | S | . | * | trans | -139.1 | 60.1 | -170 | -151.8 | 0 | 0 | 0 | 0 | 110.6 | I128 R132 | I128-V130 PolarHBondContact O-N 3.09Å; V130-R132 HydrophobicContact CG1-CB 4.19Å; V130-R132 HydrophobicContact CG1-CG 3.73Å; V130-R132 PolarHBondContact O-N 2.96Å | ||
| 131 | T | 59.3 | Low | 72.3 | Confident | 113 Ų | 113 | 126.4 Ų | 126.4 | 69% | 0.693 | 65% | 0.649 | S | S | * | * | trans | -73.8 | 61.9 | 156.1 | -42.7 | 0 | 0 | 0 | 0 | 108.4 | V133 | T131-V133 VanDerWaalsContact C-N 3.26Å; T131-V133 HydrophobicContact CG2-CG2 4.15Å; T131-V133 PolarHBondContact O-N 3.35Å | ||
| 132 | R | 67.4 | Low | 72.8 | Confident | 204 Ų | 204 | 120.3 Ų | 120.3 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | trans | -72.8 | 95.8 | 165.4 | -81.4 | -178.6 | -173.9 | 170 | 3.2 | 105.8 | V130 M134 | V130-R132 HydrophobicContact CG1-CB 4.19Å; V130-R132 HydrophobicContact CG1-CG 3.73Å; V130-R132 PolarHBondContact O-N 2.96Å; R132-M134 PolarHBondContact O-N 2.91Å | ||
| 133 | V | 71.1 | Confident | 73 | Confident | 119 Ų | 119 | 120.2 Ų | 120.2 | 72% | 0.721 | 62% | 0.617 | S | S | * | * | trans | -61.1 | 107 | 168.8 | -179.2 | 0 | 0 | 0 | 0 | 106 | T131 T135 | T131-V133 VanDerWaalsContact C-N 3.26Å; T131-V133 HydrophobicContact CG2-CG2 4.15Å; T131-V133 PolarHBondContact O-N 3.35Å; V133-T135 PolarHBondContact O-N 2.94Å | ||
| 134 | M | 70.9 | Confident | 73 | Confident | 116 Ų | 116 | 122.4 Ų | 122.4 | 57% | 0.571 | 61% | 0.611 | S | S | * | * | trans | -55.7 | 126.3 | 175.9 | -67.7 | -58.2 | -178.7 | 0 | 0 | 108.5 | R132 D138 L139 | R132-M134 PolarHBondContact O-N 2.91Å; M134-D138 HydrophobicContact SD-CB 4.47Å; M134-L139 HydrophobicContact CB-CD2 4.18Å; M134-L139 HydrophobicContact CB-CG 4.38Å | ||
| 135 | T | 83.9 | Confident | 72.3 | Confident | 71 Ų | 71 | 122.9 Ų | 122.9 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | trans | -82 | 157.8 | 177.2 | 73 | 0 | 0 | 0 | 0 | 109.6 | V133 R137 D138 L139 | V133-T135 PolarHBondContact O-N 2.94Å; T135-R137 PolarHBondContact O-N 3.29Å; T135-R137 VanDerWaalsContact O-N 3.1Å; T135-D138 WeakPolarHBondContact CB-OD2 3.3Å; T135-D138 WeakPolarHBondContact CG2-OD2 3.38Å; T135-D138 PolarHBondContact N-OD2 3.24Å; T135-D138 WeakPolarHBondContact O-CB 3.46Å; T135-D138 PolarHBondContact O-N 3.02Å; T135-D138 PolarHBondContact OG1-N 3.06Å; T135-D138 PolarHBondContact OG1-OD2 2.95Å; T135-L139 PolarHBondContact O-N 3.33Å | ||
| 136 | Y | 81.9 | Confident | 72.1 | Confident | 211 Ų | 211 | 123.3 Ų | 123.3 | 83% | 0.827 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -54.1 | -30.8 | 173.7 | -88.1 | -83.8 | 0 | 0 | 0 | 113 | D140 | Y136-D140 WeakPolarHBondContact O-CB 3.31Å; Y136-D140 PolarHBondContact O-N 3.1Å |
| 137 | R | 84.1 | Confident | 71.9 | Confident | 198 Ų | 198 | 120.3 Ų | 120.3 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.4 | -36 | 176.8 | -175.4 | -179.9 | 174.1 | -179.7 | -2.1 | 112 | T135 D140 N141 | T135-R137 PolarHBondContact O-N 3.29Å; T135-R137 VanDerWaalsContact O-N 3.1Å; R137-D140 PolarHBondContact O-N 3.02Å; R137-N141 WeakPolarHBondContact O-CB 3.49Å; R137-N141 PolarHBondContact O-N 2.95Å |
| 138 | D | 80.7 | Confident | 71.8 | Confident | 66 Ų | 66 | 112.2 Ų | 112.2 | 35% | 0.353 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.9 | -41.8 | 176.3 | -54.4 | -39.3 | 0 | 0 | 0 | 109.8 | M134 T135 D140 N141 D142 | M134-D138 HydrophobicContact SD-CB 4.47Å; T135-D138 WeakPolarHBondContact CB-OD2 3.3Å; T135-D138 WeakPolarHBondContact CG2-OD2 3.38Å; T135-D138 PolarHBondContact N-OD2 3.24Å; T135-D138 WeakPolarHBondContact O-CB 3.46Å; T135-D138 PolarHBondContact O-N 3.02Å; T135-D138 PolarHBondContact OG1-N 3.06Å; T135-D138 PolarHBondContact OG1-OD2 2.95Å; D138-D140 PolarHBondContact O-N 2.91Å; D138-N141 WeakPolarHBondContact O-CB 3.32Å; D138-N141 PolarHBondContact O-N 3.21Å; D138-D142 WeakPolarHBondContact O-CB 3.3Å; D138-D142 VanDerWaalsContact O-CG 3.25Å; D138-D142 PolarHBondContact O-N 3.48Å |
| 139 | L | 79.7 | Confident | 71.9 | Confident | 90 Ų | 90 | 112 Ų | 112 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 174.8 | -62.6 | 176.1 | 0 | 0 | 0 | 113.1 | M134 T135 N141 D142 L143 | M134-L139 HydrophobicContact CB-CD2 4.18Å; M134-L139 HydrophobicContact CB-CG 4.38Å; T135-L139 PolarHBondContact O-N 3.33Å; L139-N141 VanDerWaalsContact C-N 3.33Å; L139-D142 PolarHBondContact O-N 3.38Å; L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.22Å; L139-L143 PolarHBondContact O-N 2.99Å |
| 140 | D | 80.5 | Confident | 72.3 | Confident | 68 Ų | 68 | 106 Ų | 106 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -32.9 | 175.1 | -179.1 | 53.9 | 0 | 0 | 0 | 111.9 | Y136 R137 D138 K144 | Y136-D140 WeakPolarHBondContact O-CB 3.31Å; Y136-D140 PolarHBondContact O-N 3.1Å; R137-D140 PolarHBondContact O-N 3.02Å; D138-D140 PolarHBondContact O-N 2.91Å; D140-K144 WeakPolarHBondContact O-CB 3.46Å; D140-K144 WeakPolarHBondContact O-CD 3.45Å; D140-K144 VanDerWaalsContact O-CG 3.22Å; D140-K144 WeakPolarHBondContact O-CG 3.39Å; D140-K144 PolarHBondContact O-N 2.88Å; D140-K144 VanDerWaalsContact OD1-CE 3.29Å; D140-K144 WeakPolarHBondContact OD1-CE 3.31Å; D140-K144 IonicContact OD1-NZ 3.97Å; D140-K144 PolarHBondContact OD1-NZ 3.33Å; D140-K144 WeakPolarHBondContact OD2-CE 3.17Å; D140-K144 IonicContact OD2-NZ 3.47Å; D140-K144 PolarHBondContact OD2-NZ 2.76Å |
| 141 | N | 80.1 | Confident | 73 | Confident | 80 Ų | 80 | 104.2 Ų | 104.2 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -47.6 | 173.6 | -160.3 | -43 | 0 | 0 | 0 | 110.7 | R137 D138 L139 L143 K144 H145 | R137-N141 WeakPolarHBondContact O-CB 3.49Å; R137-N141 PolarHBondContact O-N 2.95Å; D138-N141 WeakPolarHBondContact O-CB 3.32Å; D138-N141 PolarHBondContact O-N 3.21Å; L139-N141 VanDerWaalsContact C-N 3.33Å; N141-L143 VanDerWaalsContact C-N 3.3Å; N141-L143 PolarHBondContact O-N 3.03Å; N141-K144 PolarHBondContact O-N 3.16Å; N141-H145 WeakPolarHBondContact O-CB 3.4Å; N141-H145 PolarHBondContact O-CD2 2.95Å; N141-H145 VanDerWaalsContact O-CD2 3.24Å; N141-H145 PolarHBondContact O-N 3.42Å; N141-H145 PolarHBondContact OD1-CD2 2.92Å |
| 142 | D | 73.2 | Confident | 73.8 | Confident | 39 Ų | 39 | 102.9 Ų | 102.9 | 21% | 0.209 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 176.5 | -71.6 | -13.4 | 0 | 0 | 0 | 112.3 | D138 L139 F146 T148 | D138-D142 WeakPolarHBondContact O-CB 3.3Å; D138-D142 VanDerWaalsContact O-CG 3.25Å; D138-D142 PolarHBondContact O-N 3.48Å; L139-D142 PolarHBondContact O-N 3.38Å; D142-F146 VanDerWaalsContact O-CA 3.3Å; D142-F146 WeakPolarHBondContact O-CA 3.49Å; D142-F146 PolarHBondContact O-N 3.47Å; D142-T148 HydrophobicContact CB-CG2 3.94Å; D142-T148 WeakPolarHBondContact CB-OG1 3.29Å; D142-T148 VanDerWaalsContact OD1-CG2 3.3Å; D142-T148 WeakPolarHBondContact OD1-CG2 3.35Å; D142-T148 VanDerWaalsContact OD2-CG2 3.32Å; D142-T148 WeakPolarHBondContact OD2-CG2 3.29Å |
| 143 | L | 73.6 | Confident | 73.9 | Confident | 105 Ų | 105 | 99.7 Ų | 99.7 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 175.3 | -173.8 | 66.2 | 0 | 0 | 0 | 112.3 | L139 N141 | L139-L143 VanDerWaalsContact O-CB 3.29Å; L139-L143 WeakPolarHBondContact O-CB 3.22Å; L139-L143 PolarHBondContact O-N 2.99Å; N141-L143 VanDerWaalsContact C-N 3.3Å; N141-L143 PolarHBondContact O-N 3.03Å |
| 144 | K | 71.4 | Confident | 74 | Confident | 132 Ų | 132 | 97 Ų | 97 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.3 | -33.6 | -179.6 | -77.8 | 168.9 | 179.9 | 167.3 | 0 | 113.2 | D140 N141 | D140-K144 WeakPolarHBondContact O-CB 3.46Å; D140-K144 WeakPolarHBondContact O-CD 3.45Å; D140-K144 VanDerWaalsContact O-CG 3.22Å; D140-K144 WeakPolarHBondContact O-CG 3.39Å; D140-K144 PolarHBondContact O-N 2.88Å; D140-K144 VanDerWaalsContact OD1-CE 3.29Å; D140-K144 WeakPolarHBondContact OD1-CE 3.31Å; D140-K144 IonicContact OD1-NZ 3.97Å; D140-K144 PolarHBondContact OD1-NZ 3.33Å; D140-K144 WeakPolarHBondContact OD2-CE 3.17Å; D140-K144 IonicContact OD2-NZ 3.47Å; D140-K144 PolarHBondContact OD2-NZ 2.76Å; N141-K144 PolarHBondContact O-N 3.16Å |
| 145 | H | 65.3 | Low | 74.3 | Confident | 113 Ų | 113 | 100 Ų | 100 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -103 | -6.3 | -172.6 | -68.7 | -67.3 | 0 | 0 | 0 | 113.4 | N141 S147 Q150 | N141-H145 WeakPolarHBondContact O-CB 3.4Å; N141-H145 PolarHBondContact O-CD2 2.95Å; N141-H145 VanDerWaalsContact O-CD2 3.24Å; N141-H145 PolarHBondContact O-N 3.42Å; N141-H145 PolarHBondContact OD1-CD2 2.92Å; H145-S147 PolarHBondContact O-N 3.49Å; H145-Q150 PolarHBondContact O-NE2 2.66Å |
| 146 | F | 66.3 | Low | 74.3 | Confident | 121 Ų | 121 | 100.8 Ų | 100.8 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | trans | 42.6 | 21.6 | -170.9 | -63.5 | -84.8 | 0 | 0 | 0 | 113 | D142 T148 F149 Q150 | D142-F146 VanDerWaalsContact O-CA 3.3Å; D142-F146 WeakPolarHBondContact O-CA 3.49Å; D142-F146 PolarHBondContact O-N 3.47Å; F146-T148 VanDerWaalsContact C-N 3.29Å; F146-T148 PolarHBondContact O-N 3.07Å; F146-F149 HydrophobicContact CB-CD2 4.33Å; F146-F149 AromaticContact CD1-CD2 3.78Å; F146-F149 HydrophobicContact CD1-CD2 3.78Å; F146-F149 HydrophobicContact CD1-CE2 4.36Å; F146-F149 PolarHBondContact O-N 3.24Å; F146-F149 VanDerWaalsContact O-N 3.16Å; F146-Q150 WeakPolarHBondContact O-CB 3.43Å; F146-Q150 VanDerWaalsContact O-CG 3.28Å; F146-Q150 WeakPolarHBondContact O-CG 3.36Å; F146-Q150 PolarHBondContact O-N 2.97Å; F146-Q150 PolarHBondContact O-NE2 3Å; F146-Q150 VanDerWaalsContact O-NE2 3.08Å | ||
| 147 | S | 64.4 | Low | 74.4 | Confident | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -29.7 | -165 | 44.2 | 0 | 0 | 0 | 0 | 110.5 | H145 | H145-S147 PolarHBondContact O-N 3.49Š|
| 148 | T | 63.7 | Low | 74.4 | Confident | 61 Ų | 61 | 88.1 Ų | 88.1 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -33.5 | 170.5 | 50 | 0 | 0 | 0 | 0 | 112.7 | D142 F146 Q150 T151 | D142-T148 HydrophobicContact CB-CG2 3.94Å; D142-T148 WeakPolarHBondContact CB-OG1 3.29Å; D142-T148 VanDerWaalsContact OD1-CG2 3.3Å; D142-T148 WeakPolarHBondContact OD1-CG2 3.35Å; D142-T148 VanDerWaalsContact OD2-CG2 3.32Å; D142-T148 WeakPolarHBondContact OD2-CG2 3.29Å; F146-T148 VanDerWaalsContact C-N 3.29Å; F146-T148 PolarHBondContact O-N 3.07Å; T148-Q150 VanDerWaalsContact C-N 3.29Å; T148-T151 VanDerWaalsContact O-O 3.08Å |
| 149 | F | 65.8 | Low | 74.5 | Confident | 124 Ų | 124 | 88.9 Ų | 88.9 | 54% | 0.544 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.6 | 174.3 | -59.8 | -72.1 | 0 | 0 | 0 | 113.1 | F146 T151 L158 | F146-F149 HydrophobicContact CB-CD2 4.33Å; F146-F149 AromaticContact CD1-CD2 3.78Å; F146-F149 HydrophobicContact CD1-CD2 3.78Å; F146-F149 HydrophobicContact CD1-CE2 4.36Å; F146-F149 PolarHBondContact O-N 3.24Å; F146-F149 VanDerWaalsContact O-N 3.16Å; F149-T151 VanDerWaalsContact C-N 3.34Å; F149-L158 WeakPolarHBondContact O-CB 3.13Å; F149-L158 VanDerWaalsContact O-CD1 3.31Å; F149-L158 WeakPolarHBondContact O-CD1 3.44Å |
| 150 | Q | 73.8 | Confident | 74.7 | Confident | 51 Ų | 51 | 91 Ų | 91 | 24% | 0.238 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -13 | 176.6 | -81.3 | 170.8 | 79.2 | 0 | 0 | 113.1 | H145 F146 T148 D157 L158 K159 | H145-Q150 PolarHBondContact O-NE2 2.66Å; F146-Q150 WeakPolarHBondContact O-CB 3.43Å; F146-Q150 VanDerWaalsContact O-CG 3.28Å; F146-Q150 WeakPolarHBondContact O-CG 3.36Å; F146-Q150 PolarHBondContact O-N 2.97Å; F146-Q150 PolarHBondContact O-NE2 3Å; F146-Q150 VanDerWaalsContact O-NE2 3.08Å; T148-Q150 VanDerWaalsContact C-N 3.29Å; Q150-D157 CarbonylContact O-C 3.6Å; Q150-L158 PolarHBondContact O-N 3.18Å; Q150-K159 HydrophobicContact CB-CG 3.79Å; Q150-K159 HydrophobicContact CG-CG 3.62Å; Q150-K159 VanDerWaalsContact OE1-CE 3.3Å |
| 151 | T | 75 | Confident | 74.8 | Confident | 52 Ų | 52 | 93 Ų | 93 | 32% | 0.319 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 110.4 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | T148 F149 I156 | T148-T151 VanDerWaalsContact O-O 3.08Å; F149-T151 VanDerWaalsContact C-N 3.34Å; T151-I156 CarbonylContact C-O 3.46Å; T151-I156 WeakPolarHBondContact CA-O 3.46Å |
| 152 | L | 76.2 | Confident | 74.8 | Confident | 86 Ų | 86 | 91.8 Ų | 91.8 | 45% | 0.45 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 125.8 | 171.1 | -176.8 | 68.4 | 0 | 0 | 0 | 108.8 | G154 E155 I156 L158 | L152-G154 PolarHBondContact O-N 3.47Å; L152-E155 PolarHBondContact O-N 3.49Å; L152-I156 HydrophobicContact CB-CB 4.04Å; L152-I156 HydrophobicContact CB-CD1 4.43Å; L152-I156 HydrophobicContact CB-CG2 4.36Å; L152-I156 HydrophobicContact CD2-CD1 4.14Å; L152-I156 HydrophobicContact CG-CD1 4.4Å; L152-I156 PolarHBondContact N-O 2.95Å; L152-I156 WeakPolarHBondContact O-CB 3.43Å; L152-I156 PolarHBondContact O-N 3.22Å; L152-L158 HydrophobicContact CB-CD1 3.92Å; L152-L158 HydrophobicContact CB-CG 4.26Å |
| 153 | D | 71.1 | Confident | 75.2 | Confident | 137 Ų | 137 | 97.7 Ų | 97.7 | 73% | 0.733 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 19.8 | -179.3 | -57.1 | -30 | 0 | 0 | 0 | 115.5 | E155 | D153-E155 PolarHBondContact O-N 2.86Š|
| 154 | G | 72.6 | Confident | 75.7 | Confident | 61 Ų | 61 | 98.5 Ų | 98.5 | 63% | 0.629 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -2.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L152 | L152-G154 PolarHBondContact O-N 3.47Š|
| 155 | E | 77.7 | Confident | 76.3 | Confident | 181 Ų | 181 | 97.5 Ų | 97.5 | 85% | 0.846 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -30.8 | -175.7 | -63.5 | 180 | -178.4 | 0 | 0 | 112.7 | L152 D153 | L152-E155 PolarHBondContact O-N 3.49Å; D153-E155 PolarHBondContact O-N 2.86Å |
| 156 | I | 82.8 | Confident | 77 | Confident | 86 Ų | 86 | 95.2 Ų | 95.2 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.1 | -173.2 | -60.4 | 165.8 | 0 | 0 | 0 | 109.4 | T151 L152 L158 | T151-I156 CarbonylContact C-O 3.46Å; T151-I156 WeakPolarHBondContact CA-O 3.46Å; L152-I156 HydrophobicContact CB-CB 4.04Å; L152-I156 HydrophobicContact CB-CD1 4.43Å; L152-I156 HydrophobicContact CB-CG2 4.36Å; L152-I156 HydrophobicContact CD2-CD1 4.14Å; L152-I156 HydrophobicContact CG-CD1 4.4Å; L152-I156 PolarHBondContact N-O 2.95Å; L152-I156 WeakPolarHBondContact O-CB 3.43Å; L152-I156 PolarHBondContact O-N 3.22Å; I156-L158 HydrophobicContact CG2-CD2 4.19Å; I156-L158 PolarHBondContact O-N 3.08Å |
| 157 | D | 84.2 | Confident | 77.7 | Confident | 95 Ų | 95 | 92.3 Ų | 92.3 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 109.6 | 178.2 | -167.1 | -2.7 | 0 | 0 | 0 | 112 | Q150 K159 | Q150-D157 CarbonylContact O-C 3.6Å; D157-K159 WeakPolarHBondContact OD1-CB 3.28Å; D157-K159 WeakPolarHBondContact OD1-CD 3Å; D157-K159 WeakPolarHBondContact OD1-CG 3.48Å; D157-K159 PolarHBondContact OD1-N 3.43Å; D157-K159 IonicContact OD1-NZ 3.77Å; D157-K159 IonicContact OD2-NZ 2.66Å |
| 158 | L | 85.1 | Confident | 78.3 | Confident | 49 Ų | 49 | 96.8 Ų | 96.8 | 26% | 0.257 | 52% | 0.524 | S | S | . | . | trans | -89.8 | 0.6 | 176.3 | -63.7 | -179.6 | 0 | 0 | 0 | 113.2 | F149 Q150 L152 I156 L160 L161 S162 | F149-L158 WeakPolarHBondContact O-CB 3.13Å; F149-L158 VanDerWaalsContact O-CD1 3.31Å; F149-L158 WeakPolarHBondContact O-CD1 3.44Å; Q150-L158 PolarHBondContact O-N 3.18Å; L152-L158 HydrophobicContact CB-CD1 3.92Å; L152-L158 HydrophobicContact CB-CG 4.26Å; I156-L158 HydrophobicContact CG2-CD2 4.19Å; I156-L158 PolarHBondContact O-N 3.08Å; L158-L160 VanDerWaalsContact C-N 3.28Å; L158-L160 PolarHBondContact O-N 3.01Å; L158-L161 HydrophobicContact CD2-CD2 4.31Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 3.1Å; L158-L161 VanDerWaalsContact O-N 3.1Å; L158-S162 PolarHBondContact O-N 2.79Å | ||
| 159 | K | 82.6 | Confident | 79 | Confident | 82 Ų | 82 | 100.7 Ų | 100.7 | 36% | 0.357 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.5 | -38 | -177.4 | -75.5 | 168.9 | -158.9 | 154.8 | 0 | 114.4 | Q150 D157 S162 K163 | Q150-K159 HydrophobicContact CB-CG 3.79Å; Q150-K159 HydrophobicContact CG-CG 3.62Å; Q150-K159 VanDerWaalsContact OE1-CE 3.3Å; D157-K159 WeakPolarHBondContact OD1-CB 3.28Å; D157-K159 WeakPolarHBondContact OD1-CD 3Å; D157-K159 WeakPolarHBondContact OD1-CG 3.48Å; D157-K159 PolarHBondContact OD1-N 3.43Å; D157-K159 IonicContact OD1-NZ 3.77Å; D157-K159 IonicContact OD2-NZ 2.66Å; K159-S162 WeakPolarHBondContact CA-OG 3.19Å; K159-S162 PolarHBondContact O-OG 3.18Å; K159-S162 VanDerWaalsContact O-OG 3.11Å; K159-K163 WeakPolarHBondContact O-CD 3.49Å; K159-K163 WeakPolarHBondContact O-CG 3.44Å; K159-K163 PolarHBondContact O-N 2.96Å |
| 160 | L | 83.3 | Confident | 79.7 | Confident | 135 Ų | 135 | 102 Ų | 102 | 71% | 0.707 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.9 | -39.8 | -179.1 | -167.4 | 71.3 | 0 | 0 | 0 | 110.5 | L158 | L158-L160 VanDerWaalsContact C-N 3.28Å; L158-L160 PolarHBondContact O-N 3.01Å |
| 161 | L | 82.9 | Confident | 79.8 | Confident | 109 Ų | 109 | 107.7 Ų | 107.7 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.3 | -50.9 | 174.8 | -175.8 | 68.8 | 0 | 0 | 0 | 110.2 | L158 K163 V164 L165 | L158-L161 HydrophobicContact CD2-CD2 4.31Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 3.1Å; L158-L161 VanDerWaalsContact O-N 3.1Å; L161-K163 PolarHBondContact O-N 3.12Å; L161-K163 VanDerWaalsContact O-N 3.12Å; L161-V164 PolarHBondContact O-N 3.19Å; L161-L165 WeakPolarHBondContact O-CG 3.2Å; L161-L165 PolarHBondContact O-N 3.11Å |
| 162 | S | 79.8 | Confident | 80.1 | Confident | 54 Ų | 54 | 113.1 Ų | 113.1 | 38% | 0.378 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -22.4 | -177.3 | 73.7 | 0 | 0 | 0 | 0 | 114 | L158 K159 | L158-S162 PolarHBondContact O-N 2.79Å; K159-S162 WeakPolarHBondContact CA-OG 3.19Å; K159-S162 PolarHBondContact O-OG 3.18Å; K159-S162 VanDerWaalsContact O-OG 3.11Å |
| 163 | K | 81.6 | Confident | 80.5 | Confident | 164 Ų | 164 | 117 Ų | 117 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75 | -24.1 | 174.2 | -79.3 | 172.1 | -178.8 | -176.9 | 0 | 114 | K159 L161 | K159-K163 WeakPolarHBondContact O-CD 3.49Å; K159-K163 WeakPolarHBondContact O-CG 3.44Å; K159-K163 PolarHBondContact O-N 2.96Å; L161-K163 PolarHBondContact O-N 3.12Å; L161-K163 VanDerWaalsContact O-N 3.12Å |
| 164 | V | 83.9 | Confident | 81.2 | Confident | 121 Ų | 121 | 118.5 Ų | 118.5 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -102.7 | -7.5 | -177.3 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | L161 A166 | L161-V164 PolarHBondContact O-N 3.19Å; V164-A166 PolarHBondContact O-N 3.36Å |
| 165 | L | 83.4 | Confident | 81.8 | Confident | 111 Ų | 111 | 125.6 Ų | 125.6 | 58% | 0.581 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -68.4 | 131 | 171.8 | -64.7 | -179.8 | 0 | 0 | 0 | 110.3 | L161 | L161-L165 WeakPolarHBondContact O-CG 3.2Å; L161-L165 PolarHBondContact O-N 3.11Å |
| 166 | A | 80.3 | Confident | 82.4 | Confident | 66 Ų | 66 | 121.1 Ų | 121.1 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 145.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V164 | V164-A166 PolarHBondContact O-N 3.36Š|
| 167 | P | 81.6 | Confident | 82.8 | Confident | 60 Ų | 60 | 123.7 Ų | 123.7 | 39% | 0.39 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 144 | 176.7 | 26 | -33.9 | 0 | 0 | 0 | 110.6 | Q169 E170 | P167-Q169 PolarHBondContact O-N 3.41Å; P167-E170 VanDerWaalsContact CD-CD 3.5Å; P167-E170 WeakPolarHBondContact CD-OE1 3.42Å; P167-E170 HydrophobicContact CG-CB 4.32Å; P167-E170 VanDerWaalsContact CG-CD 3.48Å; P167-E170 HydrophobicContact CG-CG 3.77Å; P167-E170 WeakPolarHBondContact CG-OE1 3.1Å; P167-E170 WeakPolarHBondContact O-CB 3.28Å; P167-E170 PolarHBondContact O-N 3.33Å |
| 168 | E | 77.4 | Confident | 83.2 | Confident | 148 Ų | 148 | 127.2 Ų | 127.2 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -54.1 | -30.7 | -179.5 | -173.8 | -169.5 | 160.2 | 0 | 0 | 112.2 | E170 F171 K172 | E168-E170 VanDerWaalsContact C-N 3.25Å; E168-E170 PolarHBondContact O-N 2.96Å; E168-F171 CarbonylContact O-C 3.54Å; E168-F171 PolarHBondContact O-N 2.98Å; E168-K172 PolarHBondContact O-N 2.99Å |
| 169 | Q | 78 | Confident | 83.6 | Confident | 143 Ų | 143 | 129.2 Ų | 129.2 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.8 | -26.9 | -179.9 | -62.7 | 75.2 | 41.5 | 0 | 0 | 113 | P167 F171 | P167-Q169 PolarHBondContact O-N 3.41Å; Q169-F171 VanDerWaalsContact C-N 3.27Å |
| 170 | E | 81.2 | Confident | 84.3 | Confident | 151 Ų | 151 | 134.2 Ų | 134.2 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.3 | -22.3 | 172.4 | -75.8 | 172.4 | -154.6 | 0 | 0 | 112.2 | P167 E168 | P167-E170 VanDerWaalsContact CD-CD 3.5Å; P167-E170 WeakPolarHBondContact CD-OE1 3.42Å; P167-E170 HydrophobicContact CG-CB 4.32Å; P167-E170 VanDerWaalsContact CG-CD 3.48Å; P167-E170 HydrophobicContact CG-CG 3.77Å; P167-E170 WeakPolarHBondContact CG-OE1 3.1Å; P167-E170 WeakPolarHBondContact O-CB 3.28Å; P167-E170 PolarHBondContact O-N 3.33Å; E168-E170 VanDerWaalsContact C-N 3.25Å; E168-E170 PolarHBondContact O-N 2.96Å |
| 171 | F | 75.4 | Confident | 84.9 | Confident | 171 Ų | 171 | 134.2 Ų | 134.2 | 75% | 0.75 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -99.7 | -8.4 | -179.4 | -154.9 | -96.3 | 0 | 0 | 0 | 113.1 | E168 Q169 E173 | E168-F171 CarbonylContact O-C 3.54Å; E168-F171 PolarHBondContact O-N 2.98Å; Q169-F171 VanDerWaalsContact C-N 3.27Å; F171-E173 VanDerWaalsContact C-N 3.35Å; F171-E173 PolarHBondContact O-N 2.81Å |
| 172 | K | 82.1 | Confident | 85.4 | Confident | 166 Ų | 166 | 134.9 Ų | 134.9 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | trans | -78 | 90.1 | 177.7 | -170.5 | 175.1 | -178.5 | 176.4 | 0 | 109.4 | E168 | E168-K172 PolarHBondContact O-N 2.99Š| ||
| 173 | E | 83.4 | Confident | 86.2 | Confident | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 65% | 0.645 | S | S | * | * | trans | -60.8 | 140.2 | 168.7 | -65.4 | 175.9 | -172.3 | 0 | 0 | 110.1 | F171 | F171-E173 VanDerWaalsContact C-N 3.35Å; F171-E173 PolarHBondContact O-N 2.81Å | ||
| 174 | E | 86.6 | Confident | 86.8 | Confident | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | trans | -64.9 | 140.1 | 173 | -176 | 170.2 | -161.9 | 0 | 0 | 109.3 | V176 | E174-V176 VanDerWaalsContact C-N 3.27Å; E174-V176 HydrophobicContact CB-CG2 4.09Å; E174-V176 HydrophobicContact CG-CG2 4.08Å; E174-V176 PolarHBondContact O-N 3Å | ||
| 175 | Y | 85.3 | Confident | 87.4 | Confident | 210 Ų | 210 | 130.9 Ų | 130.9 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | trans | -69.8 | 90.4 | 172.3 | -176.1 | -95 | 0 | 0 | 0 | 109.2 | I177 | Y175-I177 HydrophobicContact CE1-CG1 4.32Š| ||
| 176 | V | 90.3 | Very high | 88 | Confident | 87 Ų | 87 | 130.6 Ų | 130.6 | 53% | 0.527 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -101.2 | 131.7 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 109 | E174 W178 | E174-V176 VanDerWaalsContact C-N 3.27Å; E174-V176 HydrophobicContact CB-CG2 4.09Å; E174-V176 HydrophobicContact CG-CG2 4.08Å; E174-V176 PolarHBondContact O-N 3Å; V176-W178 PolarHBondContact O-N 3.23Å |
| 177 | I | 89.8 | Confident | 88.7 | Confident | 141 Ų | 141 | 131.2 Ų | 131.2 | 72% | 0.723 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 119.1 | 172 | -59 | 170.3 | 0 | 0 | 0 | 107.4 | Y175 N179 | Y175-I177 HydrophobicContact CE1-CG1 4.32Å; I177-N179 PolarHBondContact O-N 3.07Å |
| 178 | W | 93.2 | Very high | 89.3 | Confident | 169 Ų | 169 | 130.1 Ų | 130.1 | 64% | 0.64 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125.5 | -179.7 | -70.5 | 28.1 | 0 | 0 | 0 | 110.1 | V176 L183 | V176-W178 PolarHBondContact O-N 3.23Å; W178-L183 HydrophobicContact CB-CD1 4.37Å; W178-L183 HydrophobicContact CD2-CD1 3.8Å; W178-L183 HydrophobicContact CE3-CD1 3.6Å; W178-L183 HydrophobicContact CG-CD1 4.16Å; W178-L183 HydrophobicContact CZ3-CD1 4.12Å |
| 179 | N | 94.1 | Very high | 90 | Very high | 91 Ų | 91 | 125.8 Ų | 125.8 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | trans | -99.9 | 107.2 | 168 | -177.5 | -52.9 | 0 | 0 | 0 | 108.1 | I177 D181 H182 L183 | I177-N179 PolarHBondContact O-N 3.07Å; N179-D181 VanDerWaalsContact C-N 3.29Å; N179-D181 PolarHBondContact O-N 3.06Å; N179-D181 WeakPolarHBondContact OD1-CB 3.31Å; N179-D181 PolarHBondContact OD1-N 3.32Å; N179-H182 HydrophobicContact CB-CB 3.98Å; N179-H182 PolarHBondContact O-N 3.45Å; N179-H182 PolarHBondContact OD1-N 2.93Å; N179-L183 WeakPolarHBondContact O-CB 3.36Å; N179-L183 PolarHBondContact O-N 3.48Å | ||
| 180 | W | 96.8 | Very high | 90.7 | Very high | 186 Ų | 186 | 125 Ų | 125 | 71% | 0.705 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58 | -38.8 | -176.9 | -79.2 | 108.6 | 0 | 0 | 0 | 113.5 | F184 | W180-F184 WeakPolarHBondContact O-CB 3.46Å; W180-F184 PolarHBondContact O-N 2.94Å |
| 181 | D | 95.8 | Very high | 91.3 | Very high | 136 Ų | 136 | 123.1 Ų | 123.1 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.9 | -41.1 | -179.5 | -61.8 | -34 | 0 | 0 | 0 | 111.1 | N179 A185 | N179-D181 VanDerWaalsContact C-N 3.29Å; N179-D181 PolarHBondContact O-N 3.06Å; N179-D181 WeakPolarHBondContact OD1-CB 3.31Å; N179-D181 PolarHBondContact OD1-N 3.32Å; D181-A185 VanDerWaalsContact O-CB 3.31Å; D181-A185 WeakPolarHBondContact O-CB 3.5Å; D181-A185 PolarHBondContact O-N 2.87Å; D181-A185 VanDerWaalsContact O-N 3.07Å |
| 182 | H | 94.4 | Very high | 91.8 | Very high | 123 Ų | 123 | 123.4 Ų | 123.4 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -50.3 | 176 | -176.9 | -87.1 | 0 | 0 | 0 | 111.6 | N179 F184 A185 E186 | N179-H182 HydrophobicContact CB-CB 3.98Å; N179-H182 PolarHBondContact O-N 3.45Å; N179-H182 PolarHBondContact OD1-N 2.93Å; H182-F184 VanDerWaalsContact C-N 3.34Å; H182-F184 PolarHBondContact O-N 3.01Å; H182-A185 PolarHBondContact O-N 2.94Å; H182-E186 IonicContact CE1-OE2 3.34Å; H182-E186 PolarHBondContact CE1-OE2 2.92Å; H182-E186 IonicContact ND1-OE2 3.52Å; H182-E186 WeakPolarHBondContact O-CB 3.38Å; H182-E186 PolarHBondContact O-N 3.2Å |
| 183 | L | 95 | Very high | 92.2 | Very high | 52 Ų | 52 | 121 Ų | 121 | 27% | 0.272 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.7 | -39.2 | -176 | -144.8 | 152.4 | 0 | 0 | 0 | 111 | W178 N179 V187 | W178-L183 HydrophobicContact CB-CD1 4.37Å; W178-L183 HydrophobicContact CD2-CD1 3.8Å; W178-L183 HydrophobicContact CE3-CD1 3.6Å; W178-L183 HydrophobicContact CG-CD1 4.16Å; W178-L183 HydrophobicContact CZ3-CD1 4.12Å; N179-L183 WeakPolarHBondContact O-CB 3.36Å; N179-L183 PolarHBondContact O-N 3.48Å; L183-V187 HydrophobicContact CD2-CG2 4.04Å; L183-V187 WeakPolarHBondContact O-CB 3.39Å; L183-V187 VanDerWaalsContact O-CG2 3.28Å; L183-V187 WeakPolarHBondContact O-CG2 3.34Å; L183-V187 PolarHBondContact O-N 3.37Å |
| 184 | F | 95 | Very high | 92.4 | Very high | 150 Ų | 150 | 119.5 Ų | 119.5 | 66% | 0.658 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -44.7 | 173.4 | 178.4 | -98.4 | 0 | 0 | 0 | 112.1 | W180 H182 S188 | W180-F184 WeakPolarHBondContact O-CB 3.46Å; W180-F184 PolarHBondContact O-N 2.94Å; H182-F184 VanDerWaalsContact C-N 3.34Å; H182-F184 PolarHBondContact O-N 3.01Å; F184-S188 WeakPolarHBondContact O-CB 3.29Å; F184-S188 PolarHBondContact O-N 3.41Å; F184-S188 PolarHBondContact O-OG 2.74Å |
| 185 | A | 96.2 | Very high | 92.3 | Very high | 52 Ų | 52 | 117 Ų | 117 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D181 H182 S188 S189 | D181-A185 VanDerWaalsContact O-CB 3.31Å; D181-A185 WeakPolarHBondContact O-CB 3.5Å; D181-A185 PolarHBondContact O-N 2.87Å; D181-A185 VanDerWaalsContact O-N 3.07Å; H182-A185 PolarHBondContact O-N 2.94Å; A185-S188 PolarHBondContact O-OG 3.2Å; A185-S189 WeakPolarHBondContact O-CB 3.19Å; A185-S189 PolarHBondContact O-N 2.92Å; A185-S189 PolarHBondContact O-OG 3.17Å |
| 186 | E | 95.8 | Very high | 92.1 | Very high | 106 Ų | 106 | 111.5 Ų | 111.5 | 50% | 0.495 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -58.5 | 177.3 | -174 | 168.9 | -165.5 | 0 | 0 | 111.1 | H182 S188 S189 E190 | H182-E186 IonicContact CE1-OE2 3.34Å; H182-E186 PolarHBondContact CE1-OE2 2.92Å; H182-E186 IonicContact ND1-OE2 3.52Å; H182-E186 WeakPolarHBondContact O-CB 3.38Å; H182-E186 PolarHBondContact O-N 3.2Å; E186-S188 VanDerWaalsContact C-N 3.35Å; E186-S188 PolarHBondContact O-N 3Å; E186-S189 PolarHBondContact O-N 3.23Å; E186-S189 VanDerWaalsContact O-N 3.14Å; E186-S189 PolarHBondContact O-OG 2.65Å; E186-E190 PolarHBondContact O-N 3.14Å |
| 187 | V | 95.6 | Very high | 91.6 | Very high | 79 Ų | 79 | 113.1 Ų | 113.1 | 48% | 0.479 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | -179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | L183 S189 E190 L191 | L183-V187 HydrophobicContact CD2-CG2 4.04Å; L183-V187 WeakPolarHBondContact O-CB 3.39Å; L183-V187 VanDerWaalsContact O-CG2 3.28Å; L183-V187 WeakPolarHBondContact O-CG2 3.34Å; L183-V187 PolarHBondContact O-N 3.37Å; V187-S189 VanDerWaalsContact C-N 3.34Å; V187-E190 PolarHBondContact O-N 2.87Å; V187-L191 WeakPolarHBondContact O-CB 3.22Å; V187-L191 PolarHBondContact O-N 3.34Å |
| 188 | S | 93.9 | Very high | 90.7 | Very high | 36 Ų | 36 | 108.1 Ų | 108.1 | 25% | 0.252 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.5 | -30.6 | 178.1 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | F184 A185 E186 R192 | F184-S188 WeakPolarHBondContact O-CB 3.29Å; F184-S188 PolarHBondContact O-N 3.41Å; F184-S188 PolarHBondContact O-OG 2.74Å; A185-S188 PolarHBondContact O-OG 3.2Å; E186-S188 VanDerWaalsContact C-N 3.35Å; E186-S188 PolarHBondContact O-N 3Å; S188-R192 WeakPolarHBondContact O-CB 3.11Å; S188-R192 VanDerWaalsContact O-CG 3.29Å; S188-R192 WeakPolarHBondContact O-CG 3.21Å; S188-R192 PolarHBondContact O-N 2.9Å; S188-R192 VanDerWaalsContact O-N 3.17Å |
| 189 | S | 92.4 | Very high | 89.4 | Confident | 57 Ų | 57 | 105.6 Ų | 105.6 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.4 | -42.5 | 172.4 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | A185 E186 V187 R192 M193 | A185-S189 WeakPolarHBondContact O-CB 3.19Å; A185-S189 PolarHBondContact O-N 2.92Å; A185-S189 PolarHBondContact O-OG 3.17Å; E186-S189 PolarHBondContact O-N 3.23Å; E186-S189 VanDerWaalsContact O-N 3.14Å; E186-S189 PolarHBondContact O-OG 2.65Å; V187-S189 VanDerWaalsContact C-N 3.34Å; S189-R192 PolarHBondContact O-N 2.98Å; S189-M193 WeakPolarHBondContact O-CB 3.39Å; S189-M193 VanDerWaalsContact O-CG 3.22Å; S189-M193 WeakPolarHBondContact O-CG 3.37Å; S189-M193 PolarHBondContact O-N 3.3Å |
| 190 | E | 93.5 | Very high | 88 | Confident | 128 Ų | 128 | 104.2 Ų | 104.2 | 60% | 0.598 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -48.4 | 177.4 | -171.4 | 177.4 | -174.6 | 0 | 0 | 111.1 | E186 V187 R192 M193 E194 | E186-E190 PolarHBondContact O-N 3.14Å; V187-E190 PolarHBondContact O-N 2.87Å; E190-R192 VanDerWaalsContact C-N 3.35Å; E190-R192 PolarHBondContact O-N 2.98Å; E190-M193 PolarHBondContact O-N 2.88Å; E190-E194 WeakPolarHBondContact O-CB 3.39Å; E190-E194 PolarHBondContact O-N 3.21Å |
| 191 | L | 92.8 | Very high | 86.3 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 177.4 | -177.6 | 67.9 | 0 | 0 | 0 | 112.6 | V187 E194 Q195 | V187-L191 WeakPolarHBondContact O-CB 3.22Å; V187-L191 PolarHBondContact O-N 3.34Å; L191-E194 PolarHBondContact O-N 3.37Å; L191-Q195 WeakPolarHBondContact O-CB 3.5Å; L191-Q195 PolarHBondContact O-N 3.47Å |
| 192 | R | 86.6 | Confident | 84.7 | Confident | 176 Ų | 176 | 101.6 Ų | 101.6 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 176.1 | -83.7 | 174.9 | 154.1 | -179.5 | -6.5 | 111.5 | S188 S189 E190 Q195 D196 | S188-R192 WeakPolarHBondContact O-CB 3.11Å; S188-R192 VanDerWaalsContact O-CG 3.29Å; S188-R192 WeakPolarHBondContact O-CG 3.21Å; S188-R192 PolarHBondContact O-N 2.9Å; S188-R192 VanDerWaalsContact O-N 3.17Å; S189-R192 PolarHBondContact O-N 2.98Å; E190-R192 VanDerWaalsContact C-N 3.35Å; E190-R192 PolarHBondContact O-N 2.98Å; R192-Q195 PolarHBondContact O-N 2.85Å; R192-D196 WeakPolarHBondContact O-CB 3.38Å; R192-D196 PolarHBondContact O-N 3.43Å |
| 193 | M | 89.1 | Confident | 83 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 176.8 | -73.1 | 177.4 | 63.1 | 0 | 0 | 111.6 | S189 E190 D196 Q197 | S189-M193 WeakPolarHBondContact O-CB 3.39Å; S189-M193 VanDerWaalsContact O-CG 3.22Å; S189-M193 WeakPolarHBondContact O-CG 3.37Å; S189-M193 PolarHBondContact O-N 3.3Å; E190-M193 PolarHBondContact O-N 2.88Å; M193-D196 PolarHBondContact O-N 3.06Å; M193-Q197 VanDerWaalsContact O-CB 3.29Å; M193-Q197 WeakPolarHBondContact O-CB 3.29Å; M193-Q197 PolarHBondContact O-N 3.35Å |
| 194 | E | 87.4 | Confident | 81.3 | Confident | 134 Ų | 134 | 104.1 Ų | 104.1 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 175 | -174.4 | -179.1 | -175.4 | 0 | 0 | 111.6 | E190 L191 Q197 G198 | E190-E194 WeakPolarHBondContact O-CB 3.39Å; E190-E194 PolarHBondContact O-N 3.21Å; L191-E194 PolarHBondContact O-N 3.37Å; E194-Q197 PolarHBondContact O-N 3.35Å; E194-G198 PolarHBondContact O-N 3.4Å |
| 195 | Q | 84.4 | Confident | 79.5 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 176.1 | -177.8 | 171.3 | 43.1 | 0 | 0 | 112.1 | L191 R192 Q197 G198 E199 | L191-Q195 WeakPolarHBondContact O-CB 3.5Å; L191-Q195 PolarHBondContact O-N 3.47Å; R192-Q195 PolarHBondContact O-N 2.85Å; Q195-Q197 PolarHBondContact O-N 3.29Å; Q195-G198 PolarHBondContact O-N 3.03Å; Q195-E199 PolarHBondContact O-N 2.92Å |
| 196 | D | 81.1 | Confident | 77.7 | Confident | 95 Ų | 95 | 108.8 Ų | 108.8 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.2 | -32.9 | 178 | -68.5 | -16 | 0 | 0 | 0 | 111.4 | R192 M193 S200 | R192-D196 WeakPolarHBondContact O-CB 3.38Å; R192-D196 PolarHBondContact O-N 3.43Å; M193-D196 PolarHBondContact O-N 3.06Å; D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-N 3.25Å; D196-S200 PolarHBondContact O-OG 3.04Å |
| 197 | Q | 80.4 | Confident | 75.8 | Confident | 121 Ų | 121 | 106.9 Ų | 106.9 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.5 | -38.9 | 178.6 | -144.2 | 161.2 | 94.7 | 0 | 0 | 112.4 | M193 E194 Q195 S200 Q201 | M193-Q197 VanDerWaalsContact O-CB 3.29Å; M193-Q197 WeakPolarHBondContact O-CB 3.29Å; M193-Q197 PolarHBondContact O-N 3.35Å; E194-Q197 PolarHBondContact O-N 3.35Å; Q195-Q197 PolarHBondContact O-N 3.29Å; Q197-S200 PolarHBondContact O-N 3.28Å; Q197-Q201 WeakPolarHBondContact O-CG 3.44Å; Q197-Q201 PolarHBondContact O-N 3.41Å |
| 198 | G | 70.4 | Confident | 73.2 | Confident | 36 Ų | 36 | 114.8 Ų | 114.8 | 37% | 0.371 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -43.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E194 Q195 Q201 E202 | E194-G198 PolarHBondContact O-N 3.4Å; Q195-G198 PolarHBondContact O-N 3.03Å; G198-Q201 PolarHBondContact O-N 3Å; G198-E202 PolarHBondContact O-N 2.73Å |
| 199 | E | 66.3 | Low | 72.1 | Confident | 117 Ų | 117 | 118.7 Ų | 118.7 | 55% | 0.547 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66 | -37.5 | 175.6 | -68.2 | -177 | 175.4 | 0 | 0 | 112.2 | Q195 E202 S203 | Q195-E199 PolarHBondContact O-N 2.92Å; E199-E202 PolarHBondContact O-N 3.49Å; E199-S203 WeakPolarHBondContact O-CB 3.44Å; E199-S203 PolarHBondContact O-N 3.47Å; E199-S203 PolarHBondContact O-OG 3.4Å |
| 200 | S | 65.6 | Low | 71.1 | Confident | 62 Ų | 62 | 121.9 Ų | 121.9 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.6 | -41.9 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | D196 Q197 S203 E204 | D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-N 3.25Å; D196-S200 PolarHBondContact O-OG 3.04Å; Q197-S200 PolarHBondContact O-N 3.28Å; S200-S203 PolarHBondContact O-N 3.02Å; S200-S203 PolarHBondContact O-OG 3.33Å; S200-E204 WeakPolarHBondContact O-CG 3.44Å; S200-E204 PolarHBondContact O-N 2.89Å |
| 201 | Q | 60.8 | Low | 69.8 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 62% | 0.621 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.5 | -37.7 | 176.7 | -77.6 | 179.9 | -17.6 | 0 | 0 | 112.9 | Q197 G198 E204 D205 | Q197-Q201 WeakPolarHBondContact O-CG 3.44Å; Q197-Q201 PolarHBondContact O-N 3.41Å; G198-Q201 PolarHBondContact O-N 3Å; Q201-E204 PolarHBondContact O-N 3.44Å; Q201-D205 PolarHBondContact O-N 3.44Å |
| 202 | E | 61.2 | Low | 68.5 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.9 | -37.8 | 177.5 | -169.3 | 158 | -172.2 | 0 | 0 | 111.7 | G198 E199 E204 D205 E206 | G198-E202 PolarHBondContact O-N 2.73Å; E199-E202 PolarHBondContact O-N 3.49Å; E202-E204 VanDerWaalsContact C-N 3.31Å; E202-E204 PolarHBondContact O-N 3.37Å; E202-D205 PolarHBondContact O-N 3.21Å; E202-E206 PolarHBondContact O-N 3.02Å |
| 203 | S | 59.9 | Low | 67.3 | Low | 80 Ų | 80 | 118.9 Ų | 118.9 | 56% | 0.559 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70 | -22.5 | 175.8 | 72.8 | 0 | 0 | 0 | 0 | 114.7 | E199 S200 | E199-S203 WeakPolarHBondContact O-CB 3.44Å; E199-S203 PolarHBondContact O-N 3.47Å; E199-S203 PolarHBondContact O-OG 3.4Å; S200-S203 PolarHBondContact O-N 3.02Å; S200-S203 PolarHBondContact O-OG 3.33Å |
| 204 | E | 58.6 | Low | 65.9 | Low | 148 Ų | 148 | 119 Ų | 119 | 69% | 0.692 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.7 | -27.5 | 176.5 | -76.6 | -178.6 | 165.1 | 0 | 0 | 112.8 | S200 Q201 E202 | S200-E204 WeakPolarHBondContact O-CG 3.44Å; S200-E204 PolarHBondContact O-N 2.89Å; Q201-E204 PolarHBondContact O-N 3.44Å; E202-E204 VanDerWaalsContact C-N 3.31Å; E202-E204 PolarHBondContact O-N 3.37Å |
| 205 | D | 58 | Low | 64.3 | Low | 132 Ų | 132 | 117.9 Ų | 117.9 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -83.8 | -29 | 178.5 | -159.3 | 41.4 | 0 | 0 | 0 | 112.6 | Q201 E202 G207 | Q201-D205 PolarHBondContact O-N 3.44Å; E202-D205 PolarHBondContact O-N 3.21Å; D205-G207 PolarHBondContact O-N 3.23Å |
| 206 | E | 58 | Low | 62.8 | Low | 168 Ų | 168 | 118.2 Ų | 118.2 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -1.4 | 173.4 | -68 | -160.2 | 144.8 | 0 | 0 | 114.1 | E202 | E202-E206 PolarHBondContact O-N 3.02Š|
| 207 | G | 55.8 | Low | 61.3 | Low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 6.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | D205 | D205-G207 PolarHBondContact O-N 3.23Š|
| 208 | Q | 40.3 | Very low | 59.5 | Low | 244 Ų | 244 | 120 Ų | 120 | 100% | 1.14 | 65% | 0.651 | S | S | * | * | trans | -109.9 | 0 | 179.6 | -69.9 | -159.7 | -15.6 | 0 | 0 | 114.7 |
Retrieved 208 of 208 residues in 126.6 ms
(Link to these results)