| 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 | 40.4 | Very low | 37.2 | Very low | 252 Ų | 252 | 170 Ų | 170 | 100% | 1.241 | 88% | 0.878 | S | S | * | * | 0 | 97.7 | 0 | -77.5 | 179.3 | -105.1 | 0 | 0 | 107.8 | |||||
| 2 | A | 35.8 | Very low | 37 | Very low | 89 Ų | 89 | 165.6 Ų | 165.6 | 74% | 0.736 | 86% | 0.864 | S | S | * | * | trans | -121.6 | 111.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107 | T4 | A2-T4 PolarHBondContact O-N 3.02Å; A2-T4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | L | 38.4 | Very low | 36.5 | Very low | 176 Ų | 176 | 166.8 Ų | 166.8 | 92% | 0.921 | 86% | 0.863 | S | S | * | * | trans | -78.7 | 89.6 | 175.3 | -71.3 | 166.6 | 0 | 0 | 0 | 107.7 | L5 | L3-L5 PolarHBondContact O-N 3.44Š| ||
| 4 | T | 39.2 | Very low | 36.1 | Very low | 126 Ų | 126 | 168 Ų | 168 | 77% | 0.773 | 86% | 0.863 | S | S | * | * | trans | -75 | 102.5 | 168.1 | 37.1 | 0 | 0 | 0 | 0 | 108.6 | A2 R6 | A2-T4 PolarHBondContact O-N 3.02Å; A2-T4 VanDerWaalsContact O-N 3.12Å; T4-R6 PolarHBondContact O-N 3.03Å | ||
| 5 | L | 39.8 | Very low | 35.9 | Very low | 170 Ų | 170 | 169.8 Ų | 169.8 | 89% | 0.89 | 87% | 0.866 | S | S | * | * | trans | -62.5 | 96.5 | 169.2 | -85.1 | 147.4 | 0 | 0 | 0 | 109.2 | L3 K7 | L3-L5 PolarHBondContact O-N 3.44Å; L5-K7 PolarHBondContact O-N 2.9Å; L5-K7 VanDerWaalsContact O-N 3.08Å | ||
| 6 | R | 38.8 | Very low | 35.6 | Very low | 247 Ų | 247 | 171.1 Ų | 171.1 | 93% | 0.932 | 87% | 0.868 | S | S | * | * | trans | -58.8 | 103 | 161.7 | -87.6 | 179.3 | 167.9 | 156.8 | -3.4 | 108.5 | T4 | T4-R6 PolarHBondContact O-N 3.03Š| ||
| 7 | K | 45.2 | Very low | 35.8 | Very low | 216 Ų | 216 | 172.8 Ų | 172.8 | 94% | 0.939 | 87% | 0.871 | S | S | * | * | trans | -105.6 | 89.5 | 159.5 | -151.1 | 166.4 | -175.4 | 176.2 | 0 | 107.2 | L5 | L5-K7 PolarHBondContact O-N 2.9Å; L5-K7 VanDerWaalsContact O-N 3.08Å | ||
| 8 | G | 30.7 | Very low | 35.5 | Very low | 69 Ų | 69 | 174.2 Ų | 174.2 | 71% | 0.711 | 87% | 0.874 | S | S | * | * | trans | -108 | 148.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 9 | R | 33.9 | Very low | 35.4 | Very low | 240 Ų | 240 | 169.1 Ų | 169.1 | 91% | 0.906 | 87% | 0.87 | S | S | * | * | trans | 88.6 | 95.4 | 163.7 | -75.4 | -177.8 | 174.2 | 165.2 | -2.4 | 119.7 | ||||
| 10 | T | 29.8 | Very low | 35.3 | Very low | 124 Ų | 124 | 170.7 Ų | 170.7 | 76% | 0.761 | 87% | 0.873 | S | S | * | * | -0.2 | 138.8 | 118.6 | 53 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 11 | L | 36.9 | Very low | 34.9 | Very low | 161 Ų | 161 | 165.9 Ų | 165.9 | 84% | 0.843 | 87% | 0.866 | S | S | * | * | -178.8 | 98.4 | 129 | -89.9 | 159 | 0 | 0 | 0 | 106.1 | |||||
| 12 | T | 35.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 162.2 Ų | 162.2 | 72% | 0.718 | 85% | 0.846 | S | S | * | * | 53.8 | 113.4 | 106 | 47.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 13 | E | 30 | Very low | 34.5 | Very low | 181 Ų | 181 | 166.2 Ų | 166.2 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | trans | 1.1 | 126.8 | 143.3 | -65.6 | 165.7 | 140.8 | 0 | 0 | 116.6 | ||||
| 14 | E | 31.3 | Very low | 34.6 | Very low | 184 Ų | 184 | 164.3 Ų | 164.3 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | 162.1 | 109.5 | 117.5 | -86.5 | -177.5 | 173.3 | 0 | 0 | 108.8 | |||||
| 15 | Q | 33.9 | Very low | 34.9 | Very low | 195 Ų | 195 | 164.1 Ų | 164.1 | 91% | 0.911 | 84% | 0.841 | S | S | * | * | 173.1 | 108.5 | 128.1 | -95.3 | 173.8 | -1.1 | 0 | 0 | 109.8 | |||||
| 16 | E | 31.2 | Very low | 35 | Very low | 191 Ų | 191 | 162.3 Ų | 162.3 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -56.9 | 129.3 | 157.5 | -64.1 | 167.3 | 145.8 | 0 | 0 | 109.1 | ||||
| 17 | E | 38.1 | Very low | 35.3 | Very low | 199 Ų | 199 | 159.3 Ų | 159.3 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | -147.6 | 118.5 | 143.6 | -109.2 | -177.4 | -171.8 | 0 | 0 | 108.1 | ||||
| 18 | E | 30.9 | Very low | 35.4 | Very low | 199 Ų | 199 | 158 Ų | 158 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -62.7 | 137.8 | -177.9 | -67.5 | 173.1 | 136.6 | 0 | 0 | 111.9 | ||||
| 19 | G | 33.8 | Very low | 36.5 | Very low | 77 Ų | 77 | 158.5 Ų | 158.5 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -161.2 | 61.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 20 | E | 32 | Very low | 37.5 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | trans | -63.8 | 133.2 | 167.3 | -68.9 | -171.6 | 143.7 | 0 | 0 | 110.1 | ||||
| 21 | G | 28.6 | Very low | 38.8 | Very low | 70 Ų | 70 | 160.3 Ų | 160.3 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 145.5 | 83.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 22 | E | 30.5 | Very low | 40 | Very low | 175 Ų | 175 | 158.2 Ų | 158.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 70.3 | 100.3 | 133.9 | -143.8 | -175.4 | 153.5 | 0 | 0 | 118.6 | ||||
| 23 | K | 36 | Very low | 41.4 | Very low | 174 Ų | 174 | 160 Ų | 160 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | -177.7 | 103.7 | 101.3 | -93.1 | -178.8 | -172.7 | -173.8 | 0 | 109.2 | V25 | K23-V25 PolarHBondContact O-N 3.22Š| |||
| 24 | V | 40.3 | Very low | 43.3 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -63.2 | 90.5 | 158.4 | 177.1 | 0 | 0 | 0 | 0 | 105.7 | D26 | V24-D26 VanDerWaalsContact C-N 3.33Å; V24-D26 PolarHBondContact O-N 3.12Å; V24-D26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | V | 45.4 | Very low | 45.1 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | -71.5 | 102.9 | 163.7 | 171.8 | 0 | 0 | 0 | 0 | 104.6 | K23 Q27 | K23-V25 PolarHBondContact O-N 3.22Å; V25-Q27 PolarHBondContact O-N 2.92Å; V25-Q27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | D | 43.2 | Very low | 47 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -37.1 | 119 | 174.1 | -83.2 | -55.2 | 0 | 0 | 0 | 109.4 | V24 E28 | V24-D26 VanDerWaalsContact C-N 3.33Å; V24-D26 PolarHBondContact O-N 3.12Å; V24-D26 VanDerWaalsContact O-N 3.09Å; D26-E28 PolarHBondContact O-N 3.23Å | ||
| 27 | Q | 43.3 | Very low | 48.5 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -58.9 | 92.9 | 159.5 | -70.9 | 177.3 | 30.8 | 0 | 0 | 105.1 | V25 A29 | V25-Q27 PolarHBondContact O-N 2.92Å; V25-Q27 VanDerWaalsContact O-N 3.13Å; Q27-A29 PolarHBondContact O-N 3.08Å | ||
| 28 | E | 47.3 | Very low | 49.6 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -62.1 | 84.1 | 167.5 | -162.6 | 167.2 | -159.2 | 0 | 0 | 105.2 | D26 K30 | D26-E28 PolarHBondContact O-N 3.23Å; E28-K30 VanDerWaalsContact C-N 3.35Å; E28-K30 PolarHBondContact O-N 3.23Å | ||
| 29 | A | 53.9 | Low | 50.9 | Low | 78 Ų | 78 | 138 Ų | 138 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | trans | -61.9 | 100.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q27 R31 | Q27-A29 PolarHBondContact O-N 3.08Å; A29-R31 VanDerWaalsContact C-N 3.26Å; A29-R31 PolarHBondContact O-N 3.04Å | ||
| 30 | K | 55 | Low | 52 | Low | 170 Ų | 170 | 141 Ų | 141 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | trans | 6.6 | 73.2 | 159.8 | -66.3 | -177.6 | 175.3 | -171 | 0 | 112 | E28 P32 | E28-K30 VanDerWaalsContact C-N 3.35Å; E28-K30 PolarHBondContact O-N 3.23Å; K30-P32 WeakPolarHBondContact O-CD 3.5Å | ||
| 31 | R | 57 | Low | 53.1 | Low | 232 Ų | 232 | 137.7 Ų | 137.7 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 123.9 | 171.4 | -91.3 | -175.9 | 176.4 | 173.9 | 1.4 | 105.3 | A29 F33 | A29-R31 VanDerWaalsContact C-N 3.26Å; A29-R31 PolarHBondContact O-N 3.04Å; R31-F33 PolarHBondContact O-N 2.82Å |
| 32 | P | 62.3 | Low | 53.8 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 134.4 | 173.7 | -17.3 | 25.7 | 0 | 0 | 0 | 108.5 | K30 D34 | K30-P32 WeakPolarHBondContact O-CD 3.5Å; P32-D34 PolarHBondContact O-N 2.96Å; P32-D34 VanDerWaalsContact O-N 3.09Å |
| 33 | F | 65.9 | Low | 54.6 | Low | 154 Ų | 154 | 135.7 Ų | 135.7 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 116.4 | 176.9 | 176.3 | -96.5 | 0 | 0 | 0 | 109.9 | R31 P35 L38 | R31-F33 PolarHBondContact O-N 2.82Å; F33-P35 HydrophobicContact CE1-CG 4.47Å; F33-P35 WeakPolarHBondContact O-CD 3.26Å; F33-L38 HydrophobicContact CE1-CD1 4.05Å; F33-L38 HydrophobicContact CE1-CG 4.46Å; F33-L38 HydrophobicContact CZ-CD1 3.82Å; F33-L38 HydrophobicContact CZ-CD2 4.08Å; F33-L38 HydrophobicContact CZ-CG 3.8Å |
| 34 | D | 70.1 | Confident | 55.1 | Low | 67 Ų | 67 | 136.4 Ų | 136.4 | 36% | 0.358 | 70% | 0.699 | S | S | . | * | trans | -94 | 113 | 175.4 | 176.9 | -1.7 | 0 | 0 | 0 | 109 | P32 K36 H37 | P32-D34 PolarHBondContact O-N 2.96Å; P32-D34 VanDerWaalsContact O-N 3.09Å; D34-K36 PolarHBondContact O-N 3.19Å; D34-K36 WeakPolarHBondContact OD1-CB 3.13Å; D34-K36 WeakPolarHBondContact OD1-CG 3.18Å; D34-K36 PolarHBondContact OD1-N 2.99Å; D34-H37 PolarHBondContact O-CD2 3.04Å; D34-H37 PolarHBondContact O-N 2.87Å; D34-H37 VanDerWaalsContact O-N 3.11Å | ||
| 35 | P | 69.3 | Low | 55.1 | Low | 85 Ų | 85 | 134.4 Ų | 134.4 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -57.2 | -17.2 | -179.5 | -23.6 | 32.8 | 0 | 0 | 0 | 114.4 | F33 H37 L38 | F33-P35 HydrophobicContact CE1-CG 4.47Å; F33-P35 WeakPolarHBondContact O-CD 3.26Å; P35-H37 PolarHBondContact O-N 3.18Å; P35-L38 WeakPolarHBondContact O-CB 3.38Å; P35-L38 PolarHBondContact O-N 2.91Å |
| 36 | K | 72.8 | Confident | 55.1 | Low | 158 Ų | 158 | 134 Ų | 134 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -64 | -26 | 177 | -68.1 | 175.7 | -175.9 | 174.4 | 0 | 113 | D34 L38 | D34-K36 PolarHBondContact O-N 3.19Å; D34-K36 WeakPolarHBondContact OD1-CB 3.13Å; D34-K36 WeakPolarHBondContact OD1-CG 3.18Å; D34-K36 PolarHBondContact OD1-N 2.99Å; K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 2.74Å |
| 37 | H | 63.1 | Low | 55.1 | Low | 118 Ų | 118 | 136.6 Ų | 136.6 | 55% | 0.546 | 69% | 0.692 | S | S | . | * | G | 310 helix | trans | -75.9 | -12.3 | 177.6 | -63.6 | -84.8 | 0 | 0 | 0 | 113.4 | D34 P35 K39 D40 | D34-H37 PolarHBondContact O-CD2 3.04Å; D34-H37 PolarHBondContact O-N 2.87Å; D34-H37 VanDerWaalsContact O-N 3.11Å; P35-H37 PolarHBondContact O-N 3.18Å; H37-K39 PolarHBondContact O-N 2.85Å; H37-D40 PolarHBondContact O-N 2.79Å |
| 38 | L | 60.8 | Low | 55 | Low | 89 Ų | 89 | 135.4 Ų | 135.4 | 47% | 0.466 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -66.1 | -22.6 | 174.7 | -78.4 | 164.4 | 0 | 0 | 0 | 112.9 | F33 P35 K36 D40 I41 | F33-L38 HydrophobicContact CE1-CD1 4.05Å; F33-L38 HydrophobicContact CE1-CG 4.46Å; F33-L38 HydrophobicContact CZ-CD1 3.82Å; F33-L38 HydrophobicContact CZ-CD2 4.08Å; F33-L38 HydrophobicContact CZ-CG 3.8Å; P35-L38 WeakPolarHBondContact O-CB 3.38Å; P35-L38 PolarHBondContact O-N 2.91Å; K36-L38 VanDerWaalsContact C-N 3.27Å; K36-L38 PolarHBondContact O-N 2.74Å; L38-D40 PolarHBondContact O-N 2.86Å; L38-I41 HydrophobicContact CD2-CD1 4.46Å; L38-I41 PolarHBondContact O-N 3.07Å; L38-I41 VanDerWaalsContact O-N 3.09Å |
| 39 | K | 58.7 | Low | 54.7 | Low | 170 Ų | 170 | 133.6 Ų | 133.6 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -62.7 | -28.5 | 177.4 | -68 | -172.5 | -179.9 | -176 | 0 | 112.2 | H37 I41 A42 | H37-K39 PolarHBondContact O-N 2.85Å; K39-I41 VanDerWaalsContact C-N 3.29Å; K39-A42 VanDerWaalsContact O-CB 3.23Å; K39-A42 WeakPolarHBondContact O-CB 3.34Å; K39-A42 PolarHBondContact O-N 3.02Å |
| 40 | D | 57.2 | Low | 53.9 | Low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -78.9 | -17.3 | 178.8 | -58.4 | -26.9 | 0 | 0 | 0 | 112.1 | H37 L38 A42 | H37-D40 PolarHBondContact O-N 2.79Å; L38-D40 PolarHBondContact O-N 2.86Å; D40-A42 VanDerWaalsContact C-N 3.28Å |
| 41 | I | 53.5 | Low | 53.6 | Low | 130 Ų | 130 | 132.2 Ų | 132.2 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -96.1 | 19.5 | 174.1 | -38.8 | 177.7 | 0 | 0 | 0 | 110.3 | L38 K39 L43 | L38-I41 HydrophobicContact CD2-CD1 4.46Å; L38-I41 PolarHBondContact O-N 3.07Å; L38-I41 VanDerWaalsContact O-N 3.09Å; K39-I41 VanDerWaalsContact C-N 3.29Å; I41-L43 VanDerWaalsContact C-N 3.3Å; I41-L43 PolarHBondContact O-N 3.22Å |
| 42 | A | 45.1 | Very low | 52.8 | Low | 70 Ų | 70 | 128.6 Ų | 128.6 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | trans | -62.7 | 93.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K39 D40 | K39-A42 VanDerWaalsContact O-CB 3.23Å; K39-A42 WeakPolarHBondContact O-CB 3.34Å; K39-A42 PolarHBondContact O-N 3.02Å; D40-A42 VanDerWaalsContact C-N 3.28Å | ||
| 43 | L | 47.2 | Very low | 51.8 | Low | 133 Ų | 133 | 126.5 Ų | 126.5 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | trans | 59.7 | 70.1 | 137.5 | -65.2 | 162.2 | 0 | 0 | 0 | 114.7 | I41 T45 | I41-L43 VanDerWaalsContact C-N 3.3Å; I41-L43 PolarHBondContact O-N 3.22Å; L43-T45 HydrophobicContact CD2-CG2 3.83Å; L43-T45 PolarHBondContact O-N 2.96Å | ||
| 44 | M | 45 | Very low | 50.6 | Low | 189 Ų | 189 | 124.4 Ų | 124.4 | 93% | 0.931 | 69% | 0.685 | S | S | * | * | trans | -70.9 | 44 | 143.4 | -71.2 | -72.4 | -72.9 | 0 | 0 | 110.5 | P46 | M44-P46 WeakPolarHBondContact O-CD 3.47Š| ||
| 45 | T | 42 | Very low | 49.4 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | trans | -65.6 | 113.8 | 164.8 | 24.2 | 0 | 0 | 0 | 0 | 106.6 | L43 K47 | L43-T45 HydrophobicContact CD2-CG2 3.83Å; L43-T45 PolarHBondContact O-N 2.96Å; T45-K47 PolarHBondContact O-N 3Å; T45-K47 VanDerWaalsContact O-N 3.14Å | ||
| 46 | P | 45.1 | Very low | 47.8 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -57.4 | 125.4 | 174.1 | -16.2 | 29.4 | 0 | 0 | 0 | 106.9 | M44 I48 | M44-P46 WeakPolarHBondContact O-CD 3.47Å; P46-I48 VanDerWaalsContact C-N 3.31Å; P46-I48 PolarHBondContact O-N 3.4Å | ||
| 47 | K | 42.7 | Very low | 46.3 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | -59.1 | 106.4 | 165.6 | -70.2 | 178.4 | -178.4 | 175.2 | 0 | 104.8 | T45 L49 | T45-K47 PolarHBondContact O-N 3Å; T45-K47 VanDerWaalsContact O-N 3.14Å; K47-L49 PolarHBondContact O-N 3.43Å | ||
| 48 | I | 40.4 | Very low | 45.1 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 82% | 0.815 | 72% | 0.719 | S | S | * | * | trans | -56.6 | 98 | 171.5 | -60.3 | 167.4 | 0 | 0 | 0 | 104.9 | P46 S50 | P46-I48 VanDerWaalsContact C-N 3.31Å; P46-I48 PolarHBondContact O-N 3.4Å; I48-S50 PolarHBondContact O-N 3.47Å | ||
| 49 | L | 42.2 | Very low | 43.8 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -67.8 | 117.6 | 173.3 | -69.7 | 172.6 | 0 | 0 | 0 | 105 | K47 | K47-L49 PolarHBondContact O-N 3.43Š| ||
| 50 | S | 37.1 | Very low | 42.8 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | trans | -51.7 | 144.3 | -177.9 | -58.5 | 0 | 0 | 0 | 0 | 111 | I48 D52 | I48-S50 PolarHBondContact O-N 3.47Å; S50-D52 PolarHBondContact O-N 2.76Å | ||
| 51 | P | 48.1 | Very low | 42 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 4.4 | -161.6 | -15.5 | 30.7 | 0 | 0 | 0 | 116.5 | ||
| 52 | D | 39.7 | Very low | 41.2 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 12.4 | -172.6 | -72.5 | -33.8 | 0 | 0 | 0 | 114.3 | S50 S54 | S50-D52 PolarHBondContact O-N 2.76Å; D52-S54 VanDerWaalsContact C-N 3.25Å; D52-S54 PolarHBondContact O-N 2.76Å |
| 53 | A | 42.8 | Very low | 41.2 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | trans | -76.5 | 83.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I55 | A53-I55 VanDerWaalsContact C-N 3.31Å; A53-I55 VanDerWaalsContact O-CG1 3.23Å; A53-I55 WeakPolarHBondContact O-CG1 3.38Å; A53-I55 PolarHBondContact O-N 3.28Å | ||
| 54 | S | 39.3 | Very low | 40.7 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -58.3 | 94.7 | 166.4 | 117.7 | 0 | 0 | 0 | 0 | 108.2 | D52 D56 | D52-S54 VanDerWaalsContact C-N 3.25Å; D52-S54 PolarHBondContact O-N 2.76Å; S54-D56 PolarHBondContact O-N 2.97Å | ||
| 55 | I | 46.2 | Very low | 40.3 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | -87.3 | 95.1 | 172.6 | -26.5 | 178.6 | 0 | 0 | 0 | 106 | A53 I57 | A53-I55 VanDerWaalsContact C-N 3.31Å; A53-I55 VanDerWaalsContact O-CG1 3.23Å; A53-I55 WeakPolarHBondContact O-CG1 3.38Å; A53-I55 PolarHBondContact O-N 3.28Å; I55-I57 HydrophobicContact CB-CD1 4.31Å; I55-I57 HydrophobicContact CB-CG1 4.09Å; I55-I57 HydrophobicContact CG2-CD1 4Å; I55-I57 HydrophobicContact CG2-CG1 3.66Å; I55-I57 PolarHBondContact O-N 3.35Å | ||
| 56 | D | 33.9 | Very low | 40 | Very low | 145 Ų | 145 | 124 Ų | 124 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -71.7 | 73.9 | 173.8 | -150.5 | -3.8 | 0 | 0 | 0 | 108.2 | S54 S58 | S54-D56 PolarHBondContact O-N 2.97Å; D56-S58 VanDerWaalsContact C-N 3.28Å; D56-S58 PolarHBondContact O-N 3.02Å | ||
| 57 | I | 42.5 | Very low | 39.7 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 68% | 0.677 | 77% | 0.765 | S | S | * | * | trans | -79.9 | 88.4 | 176.8 | -57.9 | 174.5 | 0 | 0 | 0 | 106.7 | I55 N59 | I55-I57 HydrophobicContact CB-CD1 4.31Å; I55-I57 HydrophobicContact CB-CG1 4.09Å; I55-I57 HydrophobicContact CG2-CD1 4Å; I55-I57 HydrophobicContact CG2-CG1 3.66Å; I55-I57 PolarHBondContact O-N 3.35Å; I57-N59 PolarHBondContact O-N 3.19Å | ||
| 58 | S | 37.7 | Very low | 39.2 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -51.3 | 109.2 | 167.4 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | D56 P60 | D56-S58 VanDerWaalsContact C-N 3.28Å; D56-S58 PolarHBondContact O-N 3.02Å; S58-P60 WeakPolarHBondContact O-CD 3.34Å | ||
| 59 | N | 34.2 | Very low | 38.9 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | -65.4 | 111 | -176.1 | -153.8 | -1.9 | 0 | 0 | 0 | 110.2 | I57 S61 | I57-N59 PolarHBondContact O-N 3.19Å; N59-S61 PolarHBondContact O-N 2.83Å | ||
| 60 | P | 37.3 | Very low | 38.6 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -72.7 | 130.4 | 173.2 | 28.9 | -30.2 | 0 | 0 | 0 | 109.6 | S58 S62 | S58-P60 WeakPolarHBondContact O-CD 3.34Å; P60-S62 PolarHBondContact O-N 3.34Å; P60-S62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | S | 39.3 | Very low | 38.6 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -50.9 | 113.1 | -174.7 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | N59 | N59-S61 PolarHBondContact O-N 2.83Š| ||
| 62 | S | 38.2 | Very low | 38.1 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -67.9 | 129.9 | 169.5 | -71.9 | 0 | 0 | 0 | 0 | 110.3 | P60 A64 | P60-S62 PolarHBondContact O-N 3.34Å; P60-S62 VanDerWaalsContact O-N 3.12Å; S62-A64 PolarHBondContact O-N 3.38Å | ||
| 63 | P | 44.8 | Very low | 38 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -69.3 | 131.2 | 174.2 | 25.8 | -30.6 | 0 | 0 | 0 | 110.7 | S65 | P63-S65 PolarHBondContact O-N 2.85Š| ||
| 64 | A | 37.3 | Very low | 37.8 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -59.1 | 104.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S62 | S62-A64 PolarHBondContact O-N 3.38Š| ||
| 65 | S | 36.5 | Very low | 37.8 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -103 | 91 | 163 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | P63 | P63-S65 PolarHBondContact O-N 2.85Š| ||
| 66 | S | 35.8 | Very low | 37.4 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -85.7 | 102.2 | 174.3 | 152.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 67 | Y | 37.9 | Very low | 37.6 | Very low | 224 Ų | 224 | 127.3 Ų | 127.3 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -154.9 | 119.2 | 152.3 | -74.9 | -70.2 | 0 | 0 | 0 | 111.3 | ||||
| 68 | G | 33 | Very low | 37.3 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 73.8 | 70.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118 | V70 | G68-V70 PolarHBondContact O-N 2.78Š| ||
| 69 | C | 32.3 | Very low | 37.2 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 101.4 | 161.2 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | S71 | C69-S71 PolarHBondContact O-N 3.12Š| ||
| 70 | V | 36.2 | Very low | 37.1 | Very low | 119 Ų | 119 | 126 Ų | 126 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -70.9 | 107.2 | 164.1 | 174.4 | 0 | 0 | 0 | 0 | 106.9 | G68 T72 | G68-V70 PolarHBondContact O-N 2.78Å; V70-T72 VanDerWaalsContact C-N 3.28Å; V70-T72 PolarHBondContact O-N 2.85Å | ||
| 71 | S | 37.6 | Very low | 37 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -65.8 | 85.6 | 170.5 | -77.7 | 0 | 0 | 0 | 0 | 109.9 | C69 S73 | C69-S71 PolarHBondContact O-N 3.12Å; S71-S73 PolarHBondContact O-N 3.37Å | ||
| 72 | T | 37.8 | Very low | 37.3 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -79 | 111 | 155.2 | 30.9 | 0 | 0 | 0 | 0 | 107.3 | V70 R74 | V70-T72 VanDerWaalsContact C-N 3.28Å; V70-T72 PolarHBondContact O-N 2.85Å; T72-R74 PolarHBondContact O-N 3.03Å | ||
| 73 | S | 37.4 | Very low | 37.7 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -50.2 | 101.3 | 179.6 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | S71 A75 | S71-S73 PolarHBondContact O-N 3.37Å; S73-A75 PolarHBondContact O-N 3.31Å | ||
| 74 | R | 39 | Very low | 38.2 | Very low | 235 Ų | 235 | 135.7 Ų | 135.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -58.1 | 111.9 | 166.7 | -177.2 | 177.2 | 178.4 | 174 | -0 | 106.6 | T72 Q76 | T72-R74 PolarHBondContact O-N 3.03Å; R74-Q76 PolarHBondContact O-N 2.87Å | ||
| 75 | A | 39.2 | Very low | 39 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -46.6 | 112.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108 | S73 V77 | S73-A75 PolarHBondContact O-N 3.31Å; A75-V77 HydrophobicContact CB-CG2 4.4Å; A75-V77 PolarHBondContact O-N 2.98Å | ||
| 76 | Q | 36.6 | Very low | 39.9 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | trans | -67.4 | 83.1 | 165 | -70.3 | -173.9 | 17.8 | 0 | 0 | 106.2 | R74 I78 | R74-Q76 PolarHBondContact O-N 2.87Å; Q76-I78 VanDerWaalsContact C-N 3.28Å; Q76-I78 PolarHBondContact O-N 3.22Å | ||
| 77 | V | 39.9 | Very low | 41.1 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -69.1 | 101.6 | 161.6 | -178.4 | 0 | 0 | 0 | 0 | 104.9 | A75 C79 | A75-V77 HydrophobicContact CB-CG2 4.4Å; A75-V77 PolarHBondContact O-N 2.98Å; V77-C79 PolarHBondContact O-N 3.06Å | ||
| 78 | I | 36.3 | Very low | 42.2 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -44.4 | 120.8 | 177.5 | -69.1 | 166.4 | 0 | 0 | 0 | 109 | Q76 G80 | Q76-I78 VanDerWaalsContact C-N 3.28Å; Q76-I78 PolarHBondContact O-N 3.22Å; I78-G80 PolarHBondContact O-N 3.48Å | ||
| 79 | C | 34.1 | Very low | 43.2 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 92% | 0.919 | 72% | 0.724 | S | S | * | * | trans | -44.7 | 105.5 | 171.2 | -86 | 0 | 0 | 0 | 0 | 111.4 | V77 | V77-C79 PolarHBondContact O-N 3.06Š| ||
| 80 | G | 31.8 | Very low | 44.6 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -131.7 | 87.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I78 | I78-G80 PolarHBondContact O-N 3.48Š| ||
| 81 | R | 35.4 | Very low | 45.9 | Very low | 228 Ų | 228 | 126.5 Ų | 126.5 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | trans | 73.9 | 126.8 | 166 | -136 | 173.7 | -178.5 | -160.5 | -0.7 | 116.1 | S83 | R81-S83 VanDerWaalsContact C-N 3.31Å; R81-S83 PolarHBondContact O-N 3.38Å | ||
| 82 | P | 46.8 | Very low | 47.1 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -73 | 88.1 | 176.8 | 29.9 | -31.2 | 0 | 0 | 0 | 108.9 | ||||
| 83 | S | 46.6 | Very low | 48.1 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | trans | -72.9 | 131.3 | 167.4 | -64 | 0 | 0 | 0 | 0 | 107.4 | R81 S85 T86 | R81-S83 VanDerWaalsContact C-N 3.31Å; R81-S83 PolarHBondContact O-N 3.38Å; S83-S85 PolarHBondContact O-N 3.32Å; S83-S85 PolarHBondContact O-OG 3.19Å; S83-T86 PolarHBondContact O-N 2.88Å | ||
| 84 | R | 55.7 | Low | 49.1 | Very low | 234 Ų | 234 | 128.2 Ų | 128.2 | 88% | 0.883 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 4.4 | -178.6 | -69.4 | 174.1 | 117.3 | 174.9 | 1.1 | 115.9 | ||
| 85 | S | 53.9 | Low | 50.1 | Low | 59 Ų | 59 | 122.4 Ų | 122.4 | 41% | 0.413 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -75.5 | -20.4 | 177.9 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | S83 E87 T88 E89 | S83-S85 PolarHBondContact O-N 3.32Å; S83-S85 PolarHBondContact O-OG 3.19Å; S85-E87 PolarHBondContact O-N 3.46Å; S85-T88 PolarHBondContact O-N 3.16Å; S85-T88 PolarHBondContact O-OG1 3.32Å; S85-E89 PolarHBondContact O-N 2.81Å; S85-E89 VanDerWaalsContact O-N 3.15Å |
| 86 | T | 55.6 | Low | 51 | Low | 74 Ų | 74 | 121.7 Ų | 121.7 | 45% | 0.454 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -70.2 | -29.9 | -178.3 | 43.1 | 0 | 0 | 0 | 0 | 113.8 | S83 Q90 | S83-T86 PolarHBondContact O-N 2.88Å; T86-Q90 WeakPolarHBondContact O-CB 3.07Å; T86-Q90 VanDerWaalsContact O-CG 3.29Å; T86-Q90 WeakPolarHBondContact O-CG 3.48Å; T86-Q90 PolarHBondContact O-N 2.86Å |
| 87 | E | 59.7 | Low | 51.9 | Low | 150 Ų | 150 | 120.9 Ų | 120.9 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.5 | -42.2 | 176.1 | -88.8 | -179 | 159.1 | 0 | 0 | 111.6 | S85 Q90 A91 | S85-E87 PolarHBondContact O-N 3.46Å; E87-Q90 PolarHBondContact O-N 2.89Å; E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.14Å; E87-A91 PolarHBondContact O-N 3.44Å |
| 88 | T | 60.8 | Low | 52.4 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 53% | 0.528 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.3 | -40.6 | 176.7 | 33.6 | 0 | 0 | 0 | 0 | 112.3 | S85 A91 L92 | S85-T88 PolarHBondContact O-N 3.16Å; S85-T88 PolarHBondContact O-OG1 3.32Å; T88-A91 PolarHBondContact O-N 2.94Å; T88-L92 WeakPolarHBondContact O-CB 3.29Å; T88-L92 VanDerWaalsContact O-CG 3.31Å; T88-L92 WeakPolarHBondContact O-CG 3.04Å; T88-L92 PolarHBondContact O-N 3.03Å |
| 89 | E | 54.9 | Low | 52.8 | Low | 116 Ų | 116 | 120.5 Ų | 120.5 | 54% | 0.542 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.5 | -44.7 | 175.2 | -74.6 | -179.8 | 172.2 | 0 | 0 | 111.1 | S85 A91 L92 F93 | S85-E89 PolarHBondContact O-N 2.81Å; S85-E89 VanDerWaalsContact O-N 3.15Å; E89-A91 PolarHBondContact O-N 3.49Å; E89-L92 PolarHBondContact O-N 2.76Å; E89-F93 VanDerWaalsContact O-CD2 3.29Å; E89-F93 WeakPolarHBondContact O-CD2 3.31Å; E89-F93 PolarHBondContact O-N 2.76Å |
| 90 | Q | 60.8 | Low | 53.3 | Low | 126 Ų | 126 | 118.9 Ų | 118.9 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.3 | -40.1 | 176.3 | -74.7 | 177.4 | 31.3 | 0 | 0 | 112.6 | T86 E87 L92 F93 L94 | T86-Q90 WeakPolarHBondContact O-CB 3.07Å; T86-Q90 VanDerWaalsContact O-CG 3.29Å; T86-Q90 WeakPolarHBondContact O-CG 3.48Å; T86-Q90 PolarHBondContact O-N 2.86Å; E87-Q90 PolarHBondContact O-N 2.89Å; Q90-L92 VanDerWaalsContact C-N 3.35Å; Q90-F93 PolarHBondContact O-N 2.72Å; Q90-L94 WeakPolarHBondContact O-CG 3.48Å; Q90-L94 PolarHBondContact O-N 3.44Å |
| 91 | A | 63.4 | Low | 54.3 | Low | 47 Ų | 47 | 122.2 Ų | 122.2 | 39% | 0.388 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.7 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E87 T88 E89 L94 L95 | E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.14Å; E87-A91 PolarHBondContact O-N 3.44Å; T88-A91 PolarHBondContact O-N 2.94Å; E89-A91 PolarHBondContact O-N 3.49Å; A91-L94 PolarHBondContact O-N 3.49Å; A91-L95 WeakPolarHBondContact O-CB 3.34Å; A91-L95 WeakPolarHBondContact O-CD1 3.45Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.05Å |
| 92 | L | 64.3 | Low | 54.7 | Low | 118 Ų | 118 | 117 Ų | 117 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.6 | -38.5 | 174.9 | -73.3 | 169.8 | 0 | 0 | 0 | 112 | T88 E89 Q90 L95 A96 | T88-L92 WeakPolarHBondContact O-CB 3.29Å; T88-L92 VanDerWaalsContact O-CG 3.31Å; T88-L92 WeakPolarHBondContact O-CG 3.04Å; T88-L92 PolarHBondContact O-N 3.03Å; E89-L92 PolarHBondContact O-N 2.76Å; Q90-L92 VanDerWaalsContact C-N 3.35Å; L92-L95 PolarHBondContact O-N 2.75Å; L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 2.73Å |
| 93 | F | 58 | Low | 54.7 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.1 | -43.4 | 174.5 | -90.8 | -76.7 | 0 | 0 | 0 | 112.2 | E89 Q90 A96 E97 | E89-F93 VanDerWaalsContact O-CD2 3.29Å; E89-F93 WeakPolarHBondContact O-CD2 3.31Å; E89-F93 PolarHBondContact O-N 2.76Å; Q90-F93 PolarHBondContact O-N 2.72Å; F93-A96 PolarHBondContact O-N 3.19Å; F93-E97 PolarHBondContact O-N 2.86Å; F93-E97 VanDerWaalsContact O-N 3.17Å |
| 94 | L | 58.4 | Low | 54.7 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 63% | 0.628 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.8 | -40.8 | 175.6 | -73.9 | 164.4 | 0 | 0 | 0 | 112.2 | Q90 A91 A96 E97 D98 | Q90-L94 WeakPolarHBondContact O-CG 3.48Å; Q90-L94 PolarHBondContact O-N 3.44Å; A91-L94 PolarHBondContact O-N 3.49Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 2.84Å; L94-E97 PolarHBondContact O-N 3.47Å; L94-D98 PolarHBondContact O-N 3.48Å |
| 95 | L | 59.4 | Low | 54.4 | Low | 112 Ų | 112 | 115.3 Ų | 115.3 | 59% | 0.586 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.6 | -30.2 | 175 | -80.6 | 160.7 | 0 | 0 | 0 | 112.7 | A91 L92 D98 Q99 | A91-L95 WeakPolarHBondContact O-CB 3.34Å; A91-L95 WeakPolarHBondContact O-CD1 3.45Å; A91-L95 WeakPolarHBondContact O-CG 3.37Å; A91-L95 PolarHBondContact O-N 3.05Å; L92-L95 PolarHBondContact O-N 2.75Å; L95-D98 PolarHBondContact O-N 2.69Å; L95-Q99 PolarHBondContact O-N 2.85Å |
| 96 | A | 58.2 | Low | 54.2 | Low | 63 Ų | 63 | 116.7 Ų | 116.7 | 52% | 0.521 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.3 | -34.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L92 F93 L94 D98 Q99 | L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 2.73Å; F93-A96 PolarHBondContact O-N 3.19Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 2.84Å; A96-D98 VanDerWaalsContact C-N 3.26Å; A96-D98 PolarHBondContact O-N 3.42Å; A96-Q99 PolarHBondContact O-N 3.39Å |
| 97 | E | 55.6 | Low | 53.9 | Low | 168 Ų | 168 | 117.3 Ų | 117.3 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.2 | -27.6 | 174.3 | -69.3 | -165.3 | 175.8 | 0 | 0 | 112.6 | F93 L94 | F93-E97 PolarHBondContact O-N 2.86Å; F93-E97 VanDerWaalsContact O-N 3.17Å; L94-E97 PolarHBondContact O-N 3.47Å |
| 98 | D | 50.3 | Low | 53.4 | Low | 140 Ų | 140 | 122.5 Ų | 122.5 | 75% | 0.749 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 3 | -179.3 | -150.4 | 31.7 | 0 | 0 | 0 | 113.7 | L94 L95 A96 | L94-D98 PolarHBondContact O-N 3.48Å; L95-D98 PolarHBondContact O-N 2.69Å; A96-D98 VanDerWaalsContact C-N 3.26Å; A96-D98 PolarHBondContact O-N 3.42Å |
| 99 | Q | 45.3 | Very low | 53.1 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -67.6 | 125.6 | 169.7 | -75.8 | -79.4 | -19 | 0 | 0 | 108.1 | L95 A96 V101 | L95-Q99 PolarHBondContact O-N 2.85Å; A96-Q99 PolarHBondContact O-N 3.39Å; Q99-V101 PolarHBondContact O-N 3.2Å |
| 100 | P | 45.1 | Very low | 53.2 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -57.2 | 119.9 | 171.8 | 24.3 | -31.4 | 0 | 0 | 0 | 106.6 | V102 | P100-V102 VanDerWaalsContact C-N 3.26Å; P100-V102 PolarHBondContact O-N 3.39Å | ||
| 101 | V | 52 | Low | 53.6 | Low | 137 Ų | 137 | 121.1 Ų | 121.1 | 83% | 0.83 | 68% | 0.679 | S | S | * | * | trans | -52.6 | 102.5 | 170.3 | 178.7 | 0 | 0 | 0 | 0 | 104.8 | Q99 A103 | Q99-V101 PolarHBondContact O-N 3.2Å; V101-A103 PolarHBondContact O-N 2.9Å | ||
| 102 | V | 44 | Very low | 53.6 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 72% | 0.715 | 68% | 0.684 | S | S | * | * | trans | -61.7 | 100.8 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 102.8 | P100 R104 | P100-V102 VanDerWaalsContact C-N 3.26Å; P100-V102 PolarHBondContact O-N 3.39Å; V102-R104 PolarHBondContact O-N 2.92Å | ||
| 103 | A | 46 | Very low | 54.2 | Low | 88 Ų | 88 | 123 Ų | 123 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | trans | -63.6 | 89.2 | -179 | 0 | 0 | 0 | 0 | 0 | 105.8 | V101 S105 | V101-A103 PolarHBondContact O-N 2.9Å; A103-S105 VanDerWaalsContact C-N 3.34Å; A103-S105 PolarHBondContact O-N 2.9Å | ||
| 104 | R | 47 | Very low | 55.1 | Low | 204 Ų | 204 | 119.9 Ų | 119.9 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | trans | -59.5 | 109 | 167.6 | -62.6 | -174.8 | 84.9 | 173.6 | 6.1 | 103 | V102 T106 | V102-R104 PolarHBondContact O-N 2.92Å; R104-T106 PolarHBondContact O-N 3.35Å | ||
| 105 | S | 49.7 | Very low | 56.1 | Low | 108 Ų | 108 | 116.6 Ų | 116.6 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | trans | -54.4 | 101.5 | -176.9 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | A103 P107 | A103-S105 VanDerWaalsContact C-N 3.34Å; A103-S105 PolarHBondContact O-N 2.9Å; S105-P107 VanDerWaalsContact O-CD 3.29Å; S105-P107 WeakPolarHBondContact O-CD 3.47Å | ||
| 106 | T | 48.8 | Very low | 56.8 | Low | 88 Ų | 88 | 113.3 Ų | 113.3 | 54% | 0.54 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -66 | 119.1 | 172.5 | -19.7 | 0 | 0 | 0 | 0 | 105.8 | R104 R108 V110 | R104-T106 PolarHBondContact O-N 3.35Å; T106-R108 PolarHBondContact O-N 3.48Å; T106-V110 HydrophobicContact CG2-CB 4.31Å; T106-V110 HydrophobicContact CG2-CG1 4.35Å |
| 107 | P | 50.7 | Low | 57.4 | Low | 87 Ų | 87 | 113.4 Ų | 113.4 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 138.5 | 180 | -22.5 | 31.9 | 0 | 0 | 0 | 110 | S105 G109 V110 | S105-P107 VanDerWaalsContact O-CD 3.29Å; S105-P107 WeakPolarHBondContact O-CD 3.47Å; P107-G109 PolarHBondContact O-N 3.04Å; P107-G109 VanDerWaalsContact O-N 3.14Å; P107-V110 HydrophobicContact CB-CG2 4.1Å; P107-V110 HydrophobicContact CG-CG2 4.34Å; P107-V110 PolarHBondContact O-N 3.49Å |
| 108 | R | 47.9 | Very low | 58.2 | Low | 258 Ų | 258 | 109.7 Ų | 109.7 | 97% | 0.974 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 123.5 | 178.2 | -87.2 | -174.6 | 174.1 | -169.6 | -1 | 109.7 | T106 | T106-R108 PolarHBondContact O-N 3.48Š|
| 109 | G | 56 | Low | 59.4 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 84% | 0.835 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.4 | -9.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | P107 | P107-G109 PolarHBondContact O-N 3.04Å; P107-G109 VanDerWaalsContact O-N 3.14Å |
| 110 | V | 57 | Low | 60.5 | Low | 88 Ų | 88 | 109.9 Ų | 109.9 | 53% | 0.533 | 60% | 0.601 | S | S | . | * | trans | -87.8 | 112.2 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | T106 P107 | T106-V110 HydrophobicContact CG2-CB 4.31Å; T106-V110 HydrophobicContact CG2-CG1 4.35Å; P107-V110 HydrophobicContact CB-CG2 4.1Å; P107-V110 HydrophobicContact CG-CG2 4.34Å; P107-V110 PolarHBondContact O-N 3.49Å | ||
| 111 | V | 68.5 | Low | 61.7 | Low | 131 Ų | 131 | 109 Ų | 109 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | trans | -72.8 | 126.8 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | D113 | V111-D113 PolarHBondContact O-N 3.15Š| ||
| 112 | Y | 63.3 | Low | 62.5 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 49% | 0.494 | 58% | 0.575 | S | S | . | * | trans | -59.9 | 118.1 | 173.9 | 173.1 | -99.3 | 0 | 0 | 0 | 110.1 | Q114 E117 | Y112-Q114 HydrophobicContact CE1-CB 4.04Å; Y112-Q114 VanDerWaalsContact CZ-OE1 3.31Å; Y112-Q114 PolarHBondContact OH-NE2 2.86Å; Y112-Q114 PolarHBondContact OH-OE1 3Å; Y112-E117 HydrophobicContact CE2-CB 4.47Å; Y112-E117 HydrophobicContact CE2-CG 4.47Å; Y112-E117 VanDerWaalsContact OH-CD 3.27Å; Y112-E117 PolarHBondContact OH-OE2 3.02Å | ||
| 113 | D | 76.7 | Confident | 63.5 | Low | 79 Ų | 79 | 107.1 Ų | 107.1 | 42% | 0.422 | 57% | 0.574 | S | S | . | * | trans | -103.4 | 100.6 | 176.6 | 177.6 | 8.2 | 0 | 0 | 0 | 109.4 | V111 A115 A116 E117 R119 | V111-D113 PolarHBondContact O-N 3.15Å; D113-A115 PolarHBondContact O-N 3.44Å; D113-A115 WeakPolarHBondContact OD1-CA 3.34Å; D113-A115 VanDerWaalsContact OD1-CB 3.31Å; D113-A115 WeakPolarHBondContact OD1-CB 3.29Å; D113-A115 PolarHBondContact OD1-N 3.47Å; D113-A116 HydrophobicContact CB-CB 3.85Å; D113-A116 WeakPolarHBondContact O-CB 3.38Å; D113-A116 PolarHBondContact O-N 3.38Å; D113-A116 PolarHBondContact OD1-N 3.3Å; D113-A116 WeakPolarHBondContact OD2-CB 3.3Å; D113-A116 PolarHBondContact OD2-N 3.46Å; D113-E117 PolarHBondContact O-N 2.99Å; D113-R119 IonicContact OD2-NH2 3.49Å | ||
| 114 | Q | 77.5 | Confident | 64 | Low | 87 Ų | 87 | 106.5 Ų | 106.5 | 41% | 0.407 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.7 | -30.4 | 176.6 | -172.3 | 63.1 | 60.9 | 0 | 0 | 112.1 | Y112 E117 N118 | Y112-Q114 HydrophobicContact CE1-CB 4.04Å; Y112-Q114 VanDerWaalsContact CZ-OE1 3.31Å; Y112-Q114 PolarHBondContact OH-NE2 2.86Å; Y112-Q114 PolarHBondContact OH-OE1 3Å; Q114-E117 PolarHBondContact NE2-OE2 2.95Å; Q114-E117 PolarHBondContact O-N 3.04Å; Q114-N118 PolarHBondContact NE2-OD1 2.95Å; Q114-N118 WeakPolarHBondContact O-CB 3.45Å; Q114-N118 PolarHBondContact O-N 3.14Å; Q114-N118 PolarHBondContact O-ND2 3.38Å; Q114-N118 PolarHBondContact O-OD1 3.46Å |
| 115 | A | 78.9 | Confident | 64.7 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -75.5 | -33 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | D113 R119 | D113-A115 PolarHBondContact O-N 3.44Å; D113-A115 WeakPolarHBondContact OD1-CA 3.34Å; D113-A115 VanDerWaalsContact OD1-CB 3.31Å; D113-A115 WeakPolarHBondContact OD1-CB 3.29Å; D113-A115 PolarHBondContact OD1-N 3.47Å; A115-R119 WeakPolarHBondContact O-CB 3.14Å; A115-R119 VanDerWaalsContact O-CG 3.26Å; A115-R119 WeakPolarHBondContact O-CG 3.29Å; A115-R119 PolarHBondContact O-N 3.33Å; A115-R119 PolarHBondContact O-NE 2.91Å |
| 116 | A | 74 | Confident | 64.8 | Low | 43 Ų | 43 | 98.9 Ų | 98.9 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | D113 R119 W120 | D113-A116 HydrophobicContact CB-CB 3.85Å; D113-A116 WeakPolarHBondContact O-CB 3.38Å; D113-A116 PolarHBondContact O-N 3.38Å; D113-A116 PolarHBondContact OD1-N 3.3Å; D113-A116 WeakPolarHBondContact OD2-CB 3.3Å; D113-A116 PolarHBondContact OD2-N 3.46Å; A116-R119 PolarHBondContact O-N 3.04Å; A116-W120 WeakPolarHBondContact O-CB 3.29Å; A116-W120 PolarHBondContact O-N 2.95Å |
| 117 | E | 70.9 | Confident | 65.3 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 30% | 0.304 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.5 | -156.4 | -148.3 | -169.4 | 0 | 0 | 111.5 | Y112 D113 Q114 R119 W120 H121 | Y112-E117 HydrophobicContact CE2-CB 4.47Å; Y112-E117 HydrophobicContact CE2-CG 4.47Å; Y112-E117 VanDerWaalsContact OH-CD 3.27Å; Y112-E117 PolarHBondContact OH-OE2 3.02Å; D113-E117 PolarHBondContact O-N 2.99Å; Q114-E117 PolarHBondContact NE2-OE2 2.95Å; Q114-E117 PolarHBondContact O-N 3.04Å; E117-R119 VanDerWaalsContact C-N 3.32Å; E117-R119 PolarHBondContact O-N 3.26Å; E117-W120 CarbonylContact O-C 3.59Å; E117-W120 WeakPolarHBondContact O-CB 3.42Å; E117-W120 PolarHBondContact O-N 3.45Å; E117-W120 VanDerWaalsContact O-N 3.12Å; E117-H121 WeakPolarHBondContact CG-NE2 3.31Å; E117-H121 WeakPolarHBondContact O-CB 3.42Å; E117-H121 PolarHBondContact O-CD2 3.34Å; E117-H121 VanDerWaalsContact O-CD2 3.22Å; E117-H121 PolarHBondContact O-N 3.25Å; E117-H121 IonicContact OE1-CD2 3.22Å; E117-H121 IonicContact OE1-CE1 3.02Å; E117-H121 IonicContact OE1-NE2 2.79Å; E117-H121 PolarHBondContact OE1-NE2 3.27Å; E117-H121 IonicContact OE2-CD2 2.9Å; E117-H121 IonicContact OE2-NE2 3.63Å |
| 118 | N | 73.6 | Confident | 65.3 | Low | 90 Ų | 90 | 107.5 Ų | 107.5 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 176.4 | -71.7 | -9.5 | 0 | 0 | 0 | 112.4 | Q114 A122 | Q114-N118 PolarHBondContact NE2-OD1 2.95Å; Q114-N118 WeakPolarHBondContact O-CB 3.45Å; Q114-N118 PolarHBondContact O-N 3.14Å; Q114-N118 PolarHBondContact O-ND2 3.38Å; Q114-N118 PolarHBondContact O-OD1 3.46Å; N118-A122 WeakPolarHBondContact O-CB 3.5Å; N118-A122 PolarHBondContact O-N 2.74Å |
| 119 | R | 73.6 | Confident | 65.5 | Low | 157 Ų | 157 | 98.6 Ų | 98.6 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 174.1 | -78.5 | -178.6 | -68.7 | 176.7 | -0.5 | 111.5 | D113 A115 A116 E117 A122 Q123 | D113-R119 IonicContact OD2-NH2 3.49Å; A115-R119 WeakPolarHBondContact O-CB 3.14Å; A115-R119 VanDerWaalsContact O-CG 3.26Å; A115-R119 WeakPolarHBondContact O-CG 3.29Å; A115-R119 PolarHBondContact O-N 3.33Å; A115-R119 PolarHBondContact O-NE 2.91Å; A116-R119 PolarHBondContact O-N 3.04Å; E117-R119 VanDerWaalsContact C-N 3.32Å; E117-R119 PolarHBondContact O-N 3.26Å; R119-A122 PolarHBondContact O-N 3.13Å; R119-Q123 WeakPolarHBondContact O-CB 3.42Å; R119-Q123 WeakPolarHBondContact O-CG 3.31Å; R119-Q123 PolarHBondContact O-N 3.12Å |
| 120 | W | 69.6 | Low | 65.4 | Low | 120 Ų | 120 | 99.7 Ų | 99.7 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -51.5 | 175.7 | -173 | 88 | 0 | 0 | 0 | 110.4 | A116 E117 A122 Q123 H124 | A116-W120 WeakPolarHBondContact O-CB 3.29Å; A116-W120 PolarHBondContact O-N 2.95Å; E117-W120 CarbonylContact O-C 3.59Å; E117-W120 WeakPolarHBondContact O-CB 3.42Å; E117-W120 PolarHBondContact O-N 3.45Å; E117-W120 VanDerWaalsContact O-N 3.12Å; W120-A122 VanDerWaalsContact C-N 3.28Å; W120-A122 PolarHBondContact O-N 3.09Å; W120-Q123 PolarHBondContact O-N 3.47Å; W120-H124 AromaticContact CD1-CE1 3.42Å; W120-H124 VanDerWaalsContact CD1-CE1 3.42Å; W120-H124 AromaticContact CD1-ND1 3.52Å; W120-H124 HydrophobicContact CD2-CB 4.32Å; W120-H124 AromaticContact CD2-ND1 3.83Å; W120-H124 AromaticContact CE2-CD2 3.98Å; W120-H124 AromaticContact CE2-CE1 3.97Å; W120-H124 AromaticContact CE2-CG 3.73Å; W120-H124 AromaticContact CE2-ND1 3.71Å; W120-H124 HydrophobicContact CE3-CB 4.36Å; W120-H124 AromaticContact CG-ND1 3.72Å; W120-H124 HydrophobicContact CH2-CB 4.2Å; W120-H124 HydrophobicContact CZ2-CB 4.16Å; W120-H124 AromaticContact CZ2-CG 3.96Å; W120-H124 HydrophobicContact CZ3-CB 4.3Å; W120-H124 AromaticContact NE1-CD2 3.91Å; W120-H124 AromaticContact NE1-CE1 3.32Å; W120-H124 PolarHBondContact NE1-CE1 3.27Å; W120-H124 VanDerWaalsContact NE1-CE1 3.32Å; W120-H124 AromaticContact NE1-CG 3.87Å; W120-H124 AromaticContact NE1-ND1 3.49Å; W120-H124 PolarHBondContact NE1-ND1 3.42Å; W120-H124 AromaticContact NE1-NE2 3.56Å; W120-H124 VanDerWaalsContact O-CB 3.29Å; W120-H124 WeakPolarHBondContact O-CB 3.29Å; W120-H124 PolarHBondContact O-N 2.85Å; W120-H124 PolarHBondContact O-ND1 2.94Å |
| 121 | H | 69.1 | Low | 65.2 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 38% | 0.384 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -31.1 | 176.4 | -71.8 | -51.8 | 0 | 0 | 0 | 113 | E117 H124 D125 | E117-H121 WeakPolarHBondContact CG-NE2 3.31Å; E117-H121 WeakPolarHBondContact O-CB 3.42Å; E117-H121 PolarHBondContact O-CD2 3.34Å; E117-H121 VanDerWaalsContact O-CD2 3.22Å; E117-H121 PolarHBondContact O-N 3.25Å; E117-H121 IonicContact OE1-CD2 3.22Å; E117-H121 IonicContact OE1-CE1 3.02Å; E117-H121 IonicContact OE1-NE2 2.79Å; E117-H121 PolarHBondContact OE1-NE2 3.27Å; E117-H121 IonicContact OE2-CD2 2.9Å; E117-H121 IonicContact OE2-NE2 3.63Å; H121-H124 CarbonylContact O-C 3.49Å; H121-D125 WeakPolarHBondContact O-CA 3.46Å; H121-D125 VanDerWaalsContact O-CB 3.29Å; H121-D125 WeakPolarHBondContact O-CB 3.36Å; H121-D125 PolarHBondContact O-N 2.93Å |
| 122 | A | 68.9 | Low | 65 | Low | 66 Ų | 66 | 102.1 Ų | 102.1 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.8 | -38.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N118 R119 W120 | N118-A122 WeakPolarHBondContact O-CB 3.5Å; N118-A122 PolarHBondContact O-N 2.74Å; R119-A122 PolarHBondContact O-N 3.13Å; W120-A122 VanDerWaalsContact C-N 3.28Å; W120-A122 PolarHBondContact O-N 3.09Å |
| 123 | Q | 66 | Low | 65.4 | Low | 149 Ų | 149 | 104.8 Ų | 104.8 | 70% | 0.696 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.1 | -33 | 175.9 | -76.5 | 179.9 | -27.8 | 0 | 0 | 112.7 | R119 W120 | R119-Q123 WeakPolarHBondContact O-CB 3.42Å; R119-Q123 WeakPolarHBondContact O-CG 3.31Å; R119-Q123 PolarHBondContact O-N 3.12Å; W120-Q123 PolarHBondContact O-N 3.47Å |
| 124 | H | 55.8 | Low | 65.3 | Low | 76 Ų | 76 | 109.1 Ų | 109.1 | 35% | 0.352 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 24.9 | -177.8 | -54.5 | 74.2 | 0 | 0 | 0 | 110.6 | W120 H121 M126 | W120-H124 AromaticContact CD1-CE1 3.42Å; W120-H124 VanDerWaalsContact CD1-CE1 3.42Å; W120-H124 AromaticContact CD1-ND1 3.52Å; W120-H124 HydrophobicContact CD2-CB 4.32Å; W120-H124 AromaticContact CD2-ND1 3.83Å; W120-H124 AromaticContact CE2-CD2 3.98Å; W120-H124 AromaticContact CE2-CE1 3.97Å; W120-H124 AromaticContact CE2-CG 3.73Å; W120-H124 AromaticContact CE2-ND1 3.71Å; W120-H124 HydrophobicContact CE3-CB 4.36Å; W120-H124 AromaticContact CG-ND1 3.72Å; W120-H124 HydrophobicContact CH2-CB 4.2Å; W120-H124 HydrophobicContact CZ2-CB 4.16Å; W120-H124 AromaticContact CZ2-CG 3.96Å; W120-H124 HydrophobicContact CZ3-CB 4.3Å; W120-H124 AromaticContact NE1-CD2 3.91Å; W120-H124 AromaticContact NE1-CE1 3.32Å; W120-H124 PolarHBondContact NE1-CE1 3.27Å; W120-H124 VanDerWaalsContact NE1-CE1 3.32Å; W120-H124 AromaticContact NE1-CG 3.87Å; W120-H124 AromaticContact NE1-ND1 3.49Å; W120-H124 PolarHBondContact NE1-ND1 3.42Å; W120-H124 AromaticContact NE1-NE2 3.56Å; W120-H124 VanDerWaalsContact O-CB 3.29Å; W120-H124 WeakPolarHBondContact O-CB 3.29Å; W120-H124 PolarHBondContact O-N 2.85Å; W120-H124 PolarHBondContact O-ND1 2.94Å; H121-H124 CarbonylContact O-C 3.49Å; H124-M126 PolarHBondContact O-N 3.38Å |
| 125 | D | 61.6 | Low | 65.2 | Low | 37 Ų | 37 | 108 Ų | 108 | 20% | 0.198 | 51% | 0.506 | C | S | . | . | trans | -54 | 121.9 | 177.5 | -176.3 | -23.2 | 0 | 0 | 0 | 105.9 | H121 R127 Y128 C129 | H121-D125 WeakPolarHBondContact O-CA 3.46Å; H121-D125 VanDerWaalsContact O-CB 3.29Å; H121-D125 WeakPolarHBondContact O-CB 3.36Å; H121-D125 PolarHBondContact O-N 2.93Å; D125-R127 PolarHBondContact O-N 3.45Å; D125-R127 WeakPolarHBondContact OD1-CB 3.31Å; D125-R127 WeakPolarHBondContact OD1-CG 3.48Å; D125-R127 PolarHBondContact OD1-N 3.47Å; D125-R127 IonicContact OD1-NE 3.27Å; D125-R127 PolarHBondContact OD1-NE 3.42Å; D125-R127 IonicContact OD2-CZ 3.32Å; D125-R127 VanDerWaalsContact OD2-CZ 3.27Å; D125-R127 IonicContact OD2-NE 2.74Å; D125-R127 PolarHBondContact OD2-NE 3.45Å; D125-R127 IonicContact OD2-NH2 2.99Å; D125-R127 PolarHBondContact OD2-NH2 3.22Å; D125-Y128 HydrophobicContact CB-CD2 3.95Å; D125-Y128 HydrophobicContact CB-CE2 4.35Å; D125-Y128 WeakPolarHBondContact O-CA 3.29Å; D125-Y128 PolarHBondContact O-N 3.48Å; D125-C129 PolarHBondContact O-N 2.96Å | ||
| 126 | M | 52.8 | Low | 65.1 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.6 | -20.6 | -177 | -74.6 | -81.5 | -80.6 | 0 | 0 | 111.1 | H124 Y128 C129 L130 | H124-M126 PolarHBondContact O-N 3.38Å; M126-Y128 PolarHBondContact O-N 3.41Å; M126-C129 PolarHBondContact O-N 3.17Å; M126-L130 HydrophobicContact CB-CD1 3.89Å; M126-L130 HydrophobicContact CB-CG 4.07Å; M126-L130 HydrophobicContact CE-CD1 4.01Å; M126-L130 HydrophobicContact CE-CD2 3.7Å; M126-L130 HydrophobicContact CE-CG 3.89Å; M126-L130 WeakPolarHBondContact O-CA 3.32Å; M126-L130 WeakPolarHBondContact O-CB 3.39Å; M126-L130 WeakPolarHBondContact O-CG 3.5Å; M126-L130 PolarHBondContact O-N 3.43Å; M126-L130 HydrophobicContact SD-CD2 4.46Å; M126-L130 HydrophobicContact SD-CG 4.29Å |
| 127 | R | 58.4 | Low | 65.4 | Low | 178 Ų | 178 | 115.4 Ų | 115.4 | 67% | 0.672 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -20.2 | 170.1 | -69.1 | 179.9 | -78.5 | -174.5 | -6.3 | 114.5 | D125 Y131 | D125-R127 PolarHBondContact O-N 3.45Å; D125-R127 WeakPolarHBondContact OD1-CB 3.31Å; D125-R127 WeakPolarHBondContact OD1-CG 3.48Å; D125-R127 PolarHBondContact OD1-N 3.47Å; D125-R127 IonicContact OD1-NE 3.27Å; D125-R127 PolarHBondContact OD1-NE 3.42Å; D125-R127 IonicContact OD2-CZ 3.32Å; D125-R127 VanDerWaalsContact OD2-CZ 3.27Å; D125-R127 IonicContact OD2-NE 2.74Å; D125-R127 PolarHBondContact OD2-NE 3.45Å; D125-R127 IonicContact OD2-NH2 2.99Å; D125-R127 PolarHBondContact OD2-NH2 3.22Å; R127-Y131 WeakPolarHBondContact O-CD2 3.27Å |
| 128 | Y | 51.3 | Low | 65.9 | Low | 178 Ų | 178 | 114.9 Ų | 114.9 | 70% | 0.698 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -100.8 | -31.7 | 170.6 | -59.4 | -68.8 | 0 | 0 | 0 | 112.1 | D125 M126 | D125-Y128 HydrophobicContact CB-CD2 3.95Å; D125-Y128 HydrophobicContact CB-CE2 4.35Å; D125-Y128 WeakPolarHBondContact O-CA 3.29Å; D125-Y128 PolarHBondContact O-N 3.48Å; M126-Y128 PolarHBondContact O-N 3.41Å |
| 129 | C | 52.3 | Low | 66.5 | Low | 71 Ų | 71 | 115 Ų | 115 | 48% | 0.48 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.4 | -30.8 | 177.1 | -72 | 0 | 0 | 0 | 0 | 114.3 | D125 M126 Y131 | D125-C129 PolarHBondContact O-N 2.96Å; M126-C129 PolarHBondContact O-N 3.17Å; C129-Y131 VanDerWaalsContact C-N 3.3Å; C129-Y131 PolarHBondContact O-N 2.71Å |
| 130 | L | 53.9 | Low | 67.1 | Low | 105 Ų | 105 | 113.3 Ų | 113.3 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.7 | -178.5 | -68.8 | 172.4 | 0 | 0 | 0 | 113.8 | M126 | M126-L130 HydrophobicContact CB-CD1 3.89Å; M126-L130 HydrophobicContact CB-CG 4.07Å; M126-L130 HydrophobicContact CE-CD1 4.01Å; M126-L130 HydrophobicContact CE-CD2 3.7Å; M126-L130 HydrophobicContact CE-CG 3.89Å; M126-L130 WeakPolarHBondContact O-CA 3.32Å; M126-L130 WeakPolarHBondContact O-CB 3.39Å; M126-L130 WeakPolarHBondContact O-CG 3.5Å; M126-L130 PolarHBondContact O-N 3.43Å; M126-L130 HydrophobicContact SD-CD2 4.46Å; M126-L130 HydrophobicContact SD-CG 4.29Å |
| 131 | Y | 52.8 | Low | 68.1 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 72% | 0.722 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 20.5 | -174.2 | -67.4 | -86.1 | 0 | 0 | 0 | 113.5 | R127 C129 R133 | R127-Y131 WeakPolarHBondContact O-CD2 3.27Å; C129-Y131 VanDerWaalsContact C-N 3.3Å; C129-Y131 PolarHBondContact O-N 2.71Å; Y131-R133 PolarHBondContact O-N 2.68Å |
| 132 | D | 63.5 | Low | 69.3 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | trans | -69.8 | 94.8 | 157 | -163.5 | -19.6 | 0 | 0 | 0 | 107.8 | W134 V135 Y136 | D132-W134 PolarHBondContact O-N 2.91Å; D132-W134 WeakPolarHBondContact OD1-CB 3.47Å; D132-W134 PolarHBondContact OD1-N 3.39Å; D132-V135 HydrophobicContact CB-CB 4.31Å; D132-V135 HydrophobicContact CB-CG2 3.91Å; D132-V135 PolarHBondContact O-N 2.79Å; D132-Y136 PolarHBondContact O-N 3.25Å; D132-Y136 VanDerWaalsContact O-N 3.16Å | ||
| 133 | R | 72 | Confident | 70.4 | Confident | 182 Ų | 182 | 109.9 Ų | 109.9 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -47.3 | -34.4 | 177.7 | 177.8 | 176.8 | 172.8 | 174.9 | -1.5 | 111.2 | Y131 Y136 E137 | Y131-R133 PolarHBondContact O-N 2.68Å; R133-Y136 PolarHBondContact O-N 2.91Å; R133-E137 HydrophobicContact CG-CG 4.24Å; R133-E137 IonicContact CZ-OE1 3.63Å; R133-E137 IonicContact NE-OE1 3.44Å; R133-E137 PolarHBondContact NE-OE1 3Å; R133-E137 IonicContact NH2-OE1 3.63Å; R133-E137 PolarHBondContact NH2-OE1 3.43Å; R133-E137 WeakPolarHBondContact O-CB 3.39Å; R133-E137 VanDerWaalsContact O-CG 3.3Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.14Å |
| 134 | W | 73.9 | Confident | 71.8 | Confident | 170 Ų | 170 | 105.2 Ų | 105.2 | 64% | 0.644 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 179.2 | -177.7 | 80.6 | 0 | 0 | 0 | 112.7 | D132 Y136 E137 T138 | D132-W134 PolarHBondContact O-N 2.91Å; D132-W134 WeakPolarHBondContact OD1-CB 3.47Å; D132-W134 PolarHBondContact OD1-N 3.39Å; W134-Y136 VanDerWaalsContact C-N 3.33Å; W134-E137 PolarHBondContact O-N 2.92Å; W134-T138 VanDerWaalsContact O-CB 3.29Å; W134-T138 WeakPolarHBondContact O-CB 3.44Å; W134-T138 PolarHBondContact O-N 3.39Å; W134-T138 PolarHBondContact O-OG1 2.67Å |
| 135 | V | 76.4 | Confident | 73.6 | Confident | 63 Ų | 63 | 107.1 Ų | 107.1 | 38% | 0.382 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 176 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | D132 T138 I139 | D132-V135 HydrophobicContact CB-CB 4.31Å; D132-V135 HydrophobicContact CB-CG2 3.91Å; D132-V135 PolarHBondContact O-N 2.79Å; V135-T138 PolarHBondContact O-N 2.92Å; V135-I139 HydrophobicContact CG1-CD1 3.76Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.31Å; V135-I139 WeakPolarHBondContact O-CG1 3.37Å; V135-I139 PolarHBondContact O-N 3.02Å |
| 136 | Y | 77.4 | Confident | 75.2 | Confident | 155 Ų | 155 | 110.2 Ų | 110.2 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -47.1 | 177.7 | -172.1 | -91.1 | 0 | 0 | 0 | 112.3 | D132 R133 W134 T138 I139 F140 | D132-Y136 PolarHBondContact O-N 3.25Å; D132-Y136 VanDerWaalsContact O-N 3.16Å; R133-Y136 PolarHBondContact O-N 2.91Å; W134-Y136 VanDerWaalsContact C-N 3.33Å; Y136-T138 VanDerWaalsContact C-N 3.27Å; Y136-T138 PolarHBondContact O-N 3.47Å; Y136-I139 PolarHBondContact O-N 2.93Å; Y136-F140 HydrophobicContact CE1-CB 4.44Å; Y136-F140 WeakPolarHBondContact O-CB 3.46Å; Y136-F140 PolarHBondContact O-N 3.5Å |
| 137 | E | 79.6 | Confident | 77.3 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 177.1 | -76.6 | 180 | 175.6 | 0 | 0 | 111.6 | R133 W134 G141 | R133-E137 HydrophobicContact CG-CG 4.24Å; R133-E137 IonicContact CZ-OE1 3.63Å; R133-E137 IonicContact NE-OE1 3.44Å; R133-E137 PolarHBondContact NE-OE1 3Å; R133-E137 IonicContact NH2-OE1 3.63Å; R133-E137 PolarHBondContact NH2-OE1 3.43Å; R133-E137 WeakPolarHBondContact O-CB 3.39Å; R133-E137 VanDerWaalsContact O-CG 3.3Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.14Å; W134-E137 PolarHBondContact O-N 2.92Å; E137-G141 PolarHBondContact O-N 2.72Å |
| 138 | T | 81.4 | Confident | 79.2 | Confident | 53 Ų | 53 | 106.7 Ų | 106.7 | 33% | 0.325 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -53.5 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.1 | W134 V135 Y136 F140 G141 E142 | W134-T138 VanDerWaalsContact O-CB 3.29Å; W134-T138 WeakPolarHBondContact O-CB 3.44Å; W134-T138 PolarHBondContact O-N 3.39Å; W134-T138 PolarHBondContact O-OG1 2.67Å; V135-T138 PolarHBondContact O-N 2.92Å; Y136-T138 VanDerWaalsContact C-N 3.27Å; Y136-T138 PolarHBondContact O-N 3.47Å; T138-F140 VanDerWaalsContact C-N 3.3Å; T138-F140 PolarHBondContact O-N 2.97Å; T138-G141 PolarHBondContact O-N 3.37Å; T138-E142 WeakPolarHBondContact O-CG 3.35Å; T138-E142 PolarHBondContact O-N 2.82Å |
| 139 | I | 85.4 | Confident | 81.3 | Confident | 94 Ų | 94 | 101.7 Ų | 101.7 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 178.6 | -67.8 | 169.1 | 0 | 0 | 0 | 110.1 | V135 Y136 G141 E142 C143 | V135-I139 HydrophobicContact CG1-CD1 3.76Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 VanDerWaalsContact O-CG1 3.31Å; V135-I139 WeakPolarHBondContact O-CG1 3.37Å; V135-I139 PolarHBondContact O-N 3.02Å; Y136-I139 PolarHBondContact O-N 2.93Å; I139-G141 PolarHBondContact O-N 2.92Å; I139-E142 PolarHBondContact O-N 3.12Å; I139-C143 PolarHBondContact O-N 3.34Å; I139-C143 PolarHBondContact O-SG 3.28Å |
| 140 | F | 87 | Confident | 83.4 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 178.5 | -174.5 | -99 | 0 | 0 | 0 | 111.6 | Y136 T138 E142 C143 V144 | Y136-F140 HydrophobicContact CE1-CB 4.44Å; Y136-F140 WeakPolarHBondContact O-CB 3.46Å; Y136-F140 PolarHBondContact O-N 3.5Å; T138-F140 VanDerWaalsContact C-N 3.3Å; T138-F140 PolarHBondContact O-N 2.97Å; F140-E142 VanDerWaalsContact C-N 3.33Å; F140-E142 PolarHBondContact O-N 2.97Å; F140-C143 PolarHBondContact O-N 3.06Å; F140-V144 HydrophobicContact CD1-CG2 4.17Å; F140-V144 HydrophobicContact CE1-CG2 3.8Å; F140-V144 HydrophobicContact CZ-CG2 4.06Å; F140-V144 WeakPolarHBondContact O-CG2 3.39Å; F140-V144 PolarHBondContact O-N 2.73Å |
| 141 | G | 91.2 | Very high | 85.5 | Confident | 38 Ų | 38 | 103.6 Ų | 103.6 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E137 T138 I139 V144 R145 | E137-G141 PolarHBondContact O-N 2.72Å; T138-G141 PolarHBondContact O-N 3.37Å; I139-G141 PolarHBondContact O-N 2.92Å; G141-V144 PolarHBondContact O-N 2.86Å; G141-R145 WeakPolarHBondContact O-CB 3.45Å; G141-R145 PolarHBondContact O-N 3.49Å |
| 142 | E | 92.8 | Very high | 87.5 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 174 | -69.9 | -165.2 | 145 | 0 | 0 | 112.4 | T138 I139 F140 R145 I146 | T138-E142 WeakPolarHBondContact O-CG 3.35Å; T138-E142 PolarHBondContact O-N 2.82Å; I139-E142 PolarHBondContact O-N 3.12Å; F140-E142 VanDerWaalsContact C-N 3.33Å; F140-E142 PolarHBondContact O-N 2.97Å; E142-R145 PolarHBondContact O-N 3.15Å; E142-R145 IonicContact OE1-NH2 3.82Å; E142-I146 VanDerWaalsContact O-CG1 3.27Å; E142-I146 WeakPolarHBondContact O-CG1 3.22Å; E142-I146 PolarHBondContact O-N 3.3Å |
| 143 | C | 92.5 | Very high | 89 | Confident | 65 Ų | 65 | 101 Ų | 101 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 174.8 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | I139 F140 I146 L147 | I139-C143 PolarHBondContact O-N 3.34Å; I139-C143 PolarHBondContact O-SG 3.28Å; F140-C143 PolarHBondContact O-N 3.06Å; C143-I146 PolarHBondContact O-N 3.01Å; C143-L147 VanDerWaalsContact O-CG 3.31Å; C143-L147 WeakPolarHBondContact O-CG 3.35Å; C143-L147 PolarHBondContact O-N 2.76Å |
| 144 | V | 95 | Very high | 90.2 | Very high | 52 Ų | 52 | 96.9 Ų | 96.9 | 32% | 0.315 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F140 G141 I146 L147 E148 | F140-V144 HydrophobicContact CD1-CG2 4.17Å; F140-V144 HydrophobicContact CE1-CG2 3.8Å; F140-V144 HydrophobicContact CZ-CG2 4.06Å; F140-V144 WeakPolarHBondContact O-CG2 3.39Å; F140-V144 PolarHBondContact O-N 2.73Å; G141-V144 PolarHBondContact O-N 2.86Å; V144-I146 VanDerWaalsContact C-N 3.34Å; V144-I146 PolarHBondContact O-N 3.29Å; V144-L147 WeakPolarHBondContact O-CB 3.38Å; V144-L147 PolarHBondContact O-N 3Å; V144-L147 VanDerWaalsContact O-N 3.14Å; V144-E148 HydrophobicContact CG1-CG 4.47Å; V144-E148 WeakPolarHBondContact O-CG 3.27Å; V144-E148 PolarHBondContact O-N 2.92Å |
| 145 | R | 95.2 | Very high | 91.3 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 43% | 0.434 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 177.8 | -176.1 | -178.2 | 64.8 | -168.4 | -6.3 | 112.6 | G141 E142 L147 E148 D149 | G141-R145 WeakPolarHBondContact O-CB 3.45Å; G141-R145 PolarHBondContact O-N 3.49Å; E142-R145 PolarHBondContact O-N 3.15Å; E142-R145 IonicContact OE1-NH2 3.82Å; R145-L147 VanDerWaalsContact C-N 3.3Å; R145-L147 PolarHBondContact O-N 3.24Å; R145-E148 PolarHBondContact O-N 3.09Å; R145-D149 WeakPolarHBondContact O-CB 3.31Å; R145-D149 PolarHBondContact O-N 2.87Å |
| 146 | I | 95.5 | Very high | 92.2 | Very high | 102 Ų | 102 | 92.4 Ų | 92.4 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.1 | -70.1 | 164.8 | 0 | 0 | 0 | 110.8 | E142 C143 V144 D149 L150 | E142-I146 VanDerWaalsContact O-CG1 3.27Å; E142-I146 WeakPolarHBondContact O-CG1 3.22Å; E142-I146 PolarHBondContact O-N 3.3Å; C143-I146 PolarHBondContact O-N 3.01Å; V144-I146 VanDerWaalsContact C-N 3.34Å; V144-I146 PolarHBondContact O-N 3.29Å; I146-D149 PolarHBondContact O-N 2.88Å; I146-L150 WeakPolarHBondContact O-CB 3.18Å; I146-L150 PolarHBondContact O-N 3.34Å |
| 147 | L | 96.6 | Very high | 93.1 | Very high | 112 Ų | 112 | 91.9 Ų | 91.9 | 59% | 0.586 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67 | -43 | 177.3 | -70.1 | 170.6 | 0 | 0 | 0 | 111.7 | C143 V144 R145 L150 E151 | C143-L147 VanDerWaalsContact O-CG 3.31Å; C143-L147 WeakPolarHBondContact O-CG 3.35Å; C143-L147 PolarHBondContact O-N 2.76Å; V144-L147 WeakPolarHBondContact O-CB 3.38Å; V144-L147 PolarHBondContact O-N 3Å; V144-L147 VanDerWaalsContact O-N 3.14Å; R145-L147 VanDerWaalsContact C-N 3.3Å; R145-L147 PolarHBondContact O-N 3.24Å; L147-L150 PolarHBondContact O-N 3.03Å; L147-E151 WeakPolarHBondContact O-CB 3.41Å; L147-E151 PolarHBondContact O-N 2.97Å |
| 148 | E | 97 | Very high | 93.9 | Very high | 107 Ų | 107 | 90.7 Ų | 90.7 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.4 | -70.8 | 174.9 | 175.6 | 0 | 0 | 111.6 | V144 R145 L150 E151 N152 | V144-E148 HydrophobicContact CG1-CG 4.47Å; V144-E148 WeakPolarHBondContact O-CG 3.27Å; V144-E148 PolarHBondContact O-N 2.92Å; R145-E148 PolarHBondContact O-N 3.09Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.93Å; E148-E151 PolarHBondContact O-N 3.23Å; E148-N152 WeakPolarHBondContact O-CB 3.38Å; E148-N152 VanDerWaalsContact O-CG 3.3Å; E148-N152 PolarHBondContact O-N 2.94Å; E148-N152 PolarHBondContact O-ND2 2.78Å |
| 149 | D | 96.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 92.7 Ų | 92.7 | 39% | 0.39 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 175.4 | -77.9 | -16.1 | 0 | 0 | 0 | 111.1 | R145 I146 N153 | R145-D149 WeakPolarHBondContact O-CB 3.31Å; R145-D149 PolarHBondContact O-N 2.87Å; I146-D149 PolarHBondContact O-N 2.88Å; D149-N153 WeakPolarHBondContact O-CB 3.23Å; D149-N153 VanDerWaalsContact O-CG 3.29Å; D149-N153 PolarHBondContact O-N 3.14Å; D149-N153 PolarHBondContact O-ND2 3.28Å |
| 150 | L | 96.8 | Very high | 95 | Very high | 94 Ų | 94 | 94.5 Ų | 94.5 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 177.8 | -178.1 | 63.1 | 0 | 0 | 0 | 111.8 | I146 L147 E148 N153 L154 | I146-L150 WeakPolarHBondContact O-CB 3.18Å; I146-L150 PolarHBondContact O-N 3.34Å; L147-L150 PolarHBondContact O-N 3.03Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.93Å; L150-N153 PolarHBondContact O-N 3.02Å; L150-L154 HydrophobicContact CD1-CD1 4.38Å; L150-L154 HydrophobicContact CD1-CG 4.41Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 3.09Å |
| 151 | E | 96.4 | Very high | 95.4 | Very high | 121 Ų | 121 | 91.9 Ų | 91.9 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.9 | -51 | 176.6 | -176.4 | 173.8 | -169.2 | 0 | 0 | 111 | L147 E148 N153 L154 D155 | L147-E151 WeakPolarHBondContact O-CB 3.41Å; L147-E151 PolarHBondContact O-N 2.97Å; E148-E151 PolarHBondContact O-N 3.23Å; E151-N153 VanDerWaalsContact C-N 3.3Å; E151-N153 PolarHBondContact O-N 2.75Å; E151-L154 PolarHBondContact O-N 3.28Å; E151-L154 VanDerWaalsContact O-N 3.12Å; E151-D155 PolarHBondContact O-N 3.35Å |
| 152 | N | 95.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 97.5 Ų | 97.5 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 178.1 | -73.2 | -46 | 0 | 0 | 0 | 112.7 | E148 A156 | E148-N152 WeakPolarHBondContact O-CB 3.38Å; E148-N152 VanDerWaalsContact O-CG 3.3Å; E148-N152 PolarHBondContact O-N 2.94Å; E148-N152 PolarHBondContact O-ND2 2.78Å; N152-A156 WeakPolarHBondContact O-CB 3.23Å; N152-A156 PolarHBondContact O-N 2.87Å |
| 153 | N | 95.8 | Very high | 95.5 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 60% | 0.599 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.1 | -38.5 | 177.8 | -80.2 | -53 | 0 | 0 | 0 | 112.1 | D149 L150 E151 Y157 | D149-N153 WeakPolarHBondContact O-CB 3.23Å; D149-N153 VanDerWaalsContact O-CG 3.29Å; D149-N153 PolarHBondContact O-N 3.14Å; D149-N153 PolarHBondContact O-ND2 3.28Å; L150-N153 PolarHBondContact O-N 3.02Å; E151-N153 VanDerWaalsContact C-N 3.3Å; E151-N153 PolarHBondContact O-N 2.75Å; N153-Y157 WeakPolarHBondContact O-CB 3.31Å; N153-Y157 PolarHBondContact O-N 3.21Å |
| 154 | L | 97.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 97.8 Ų | 97.8 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 176.7 | -72.3 | 172.8 | 0 | 0 | 0 | 111.4 | L150 E151 Y157 I158 | L150-L154 HydrophobicContact CD1-CD1 4.38Å; L150-L154 HydrophobicContact CD1-CG 4.41Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 3.09Å; E151-L154 PolarHBondContact O-N 3.28Å; E151-L154 VanDerWaalsContact O-N 3.12Å; L154-Y157 PolarHBondContact O-N 3.48Å; L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.32Å; L154-I158 PolarHBondContact O-N 2.89Å |
| 155 | D | 96.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 100.3 Ų | 100.3 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.2 | -79.6 | -16.9 | 0 | 0 | 0 | 111.7 | E151 Y157 I158 D159 | E151-D155 PolarHBondContact O-N 3.35Å; D155-Y157 VanDerWaalsContact C-N 3.28Å; D155-Y157 PolarHBondContact O-N 3.27Å; D155-I158 PolarHBondContact O-N 3.26Å; D155-I158 VanDerWaalsContact O-N 3.15Å; D155-D159 PolarHBondContact O-N 2.94Å |
| 156 | A | 95.4 | Very high | 94.9 | Very high | 58 Ų | 58 | 99.2 Ų | 99.2 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | N152 D159 Q160 | N152-A156 WeakPolarHBondContact O-CB 3.23Å; N152-A156 PolarHBondContact O-N 2.87Å; A156-D159 PolarHBondContact O-N 3.45Å; A156-Q160 WeakPolarHBondContact O-CB 3.4Å; A156-Q160 PolarHBondContact O-N 3.06Å |
| 157 | Y | 96.5 | Very high | 94.7 | Very high | 144 Ų | 144 | 97.9 Ų | 97.9 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 176.2 | -175 | -104.2 | 0 | 0 | 0 | 112.2 | N153 L154 D155 Q160 V161 | N153-Y157 WeakPolarHBondContact O-CB 3.31Å; N153-Y157 PolarHBondContact O-N 3.21Å; L154-Y157 PolarHBondContact O-N 3.48Å; D155-Y157 VanDerWaalsContact C-N 3.28Å; D155-Y157 PolarHBondContact O-N 3.27Å; Y157-Q160 PolarHBondContact O-N 3.31Å; Y157-V161 HydrophobicContact CD1-CG2 4.23Å; Y157-V161 HydrophobicContact CE1-CG2 3.84Å; Y157-V161 HydrophobicContact CE2-CG2 4.37Å; Y157-V161 VanDerWaalsContact O-CG2 3.32Å; Y157-V161 WeakPolarHBondContact O-CG2 3.42Å; Y157-V161 PolarHBondContact O-N 2.94Å |
| 158 | I | 95.2 | Very high | 94.3 | Very high | 71 Ų | 71 | 101 Ų | 101 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.4 | -72.1 | 164.3 | 0 | 0 | 0 | 110.6 | L154 D155 V161 R162 | L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.32Å; L154-I158 PolarHBondContact O-N 2.89Å; D155-I158 PolarHBondContact O-N 3.26Å; D155-I158 VanDerWaalsContact O-N 3.15Å; I158-V161 PolarHBondContact O-N 3.2Å; I158-R162 HydrophobicContact CG2-CG 4.46Å; I158-R162 VanDerWaalsContact O-CG 3.31Å; I158-R162 WeakPolarHBondContact O-CG 3.38Å; I158-R162 PolarHBondContact O-N 2.9Å |
| 159 | D | 95.4 | Very high | 94 | Very high | 94 Ų | 94 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 179.1 | -77.8 | -14.3 | 0 | 0 | 0 | 111.9 | D155 A156 V161 R162 Q163 | D155-D159 PolarHBondContact O-N 2.94Å; A156-D159 PolarHBondContact O-N 3.45Å; D159-V161 PolarHBondContact O-N 3.32Å; D159-R162 PolarHBondContact O-N 2.88Å; D159-R162 IonicContact OD1-NH1 3.88Å; D159-Q163 WeakPolarHBondContact O-CB 3.35Å; D159-Q163 PolarHBondContact O-N 2.7Å |
| 160 | Q | 95.5 | Very high | 93.8 | Very high | 132 Ų | 132 | 100 Ų | 100 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.6 | -46.4 | 172.5 | -176.6 | -176.1 | -6.4 | 0 | 0 | 111.6 | A156 Y157 Q163 S164 | A156-Q160 WeakPolarHBondContact O-CB 3.4Å; A156-Q160 PolarHBondContact O-N 3.06Å; Y157-Q160 PolarHBondContact O-N 3.31Å; Q160-Q163 PolarHBondContact O-N 3.36Å; Q160-S164 WeakPolarHBondContact O-CB 3.41Å; Q160-S164 PolarHBondContact O-N 3.37Å; Q160-S164 PolarHBondContact O-OG 2.98Å |
| 161 | V | 94 | Very high | 93.5 | Very high | 65 Ų | 65 | 100.5 Ų | 100.5 | 39% | 0.394 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.2 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | Y157 I158 D159 S164 N165 | Y157-V161 HydrophobicContact CD1-CG2 4.23Å; Y157-V161 HydrophobicContact CE1-CG2 3.84Å; Y157-V161 HydrophobicContact CE2-CG2 4.37Å; Y157-V161 VanDerWaalsContact O-CG2 3.32Å; Y157-V161 WeakPolarHBondContact O-CG2 3.42Å; Y157-V161 PolarHBondContact O-N 2.94Å; I158-V161 PolarHBondContact O-N 3.2Å; D159-V161 PolarHBondContact O-N 3.32Å; V161-S164 PolarHBondContact O-N 3.4Å; V161-S164 PolarHBondContact O-OG 3.11Å; V161-N165 PolarHBondContact O-N 3.44Å; V161-N165 VanDerWaalsContact O-N 3.09Å |
| 162 | R | 94 | Very high | 93.3 | Very high | 157 Ų | 157 | 99.4 Ų | 99.4 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.5 | -48.1 | 176.4 | -74.5 | 171.1 | 175.1 | 174.9 | -0.3 | 111.8 | I158 D159 S164 N165 I166 | I158-R162 HydrophobicContact CG2-CG 4.46Å; I158-R162 VanDerWaalsContact O-CG 3.31Å; I158-R162 WeakPolarHBondContact O-CG 3.38Å; I158-R162 PolarHBondContact O-N 2.9Å; D159-R162 PolarHBondContact O-N 2.88Å; D159-R162 IonicContact OD1-NH1 3.88Å; R162-S164 PolarHBondContact O-N 3.43Å; R162-N165 PolarHBondContact O-N 3.47Å; R162-I166 WeakPolarHBondContact O-CG1 3.45Å; R162-I166 PolarHBondContact O-N 2.94Å |
| 163 | Q | 93 | Very high | 93 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 179.4 | -170.7 | 59.1 | 44 | 0 | 0 | 111.2 | D159 Q160 N165 I166 D167 | D159-Q163 WeakPolarHBondContact O-CB 3.35Å; D159-Q163 PolarHBondContact O-N 2.7Å; Q160-Q163 PolarHBondContact O-N 3.36Å; Q163-N165 PolarHBondContact O-N 3.09Å; Q163-I166 PolarHBondContact O-N 2.93Å; Q163-D167 PolarHBondContact NE2-OD1 2.87Å; Q163-D167 VanDerWaalsContact O-CG 3.24Å; Q163-D167 PolarHBondContact O-N 3.23Å |
| 164 | S | 91 | Very high | 92.9 | Very high | 66 Ų | 66 | 96.8 Ų | 96.8 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -32.6 | 177.8 | 77.3 | 0 | 0 | 0 | 0 | 113.1 | Q160 V161 R162 R168 | Q160-S164 WeakPolarHBondContact O-CB 3.41Å; Q160-S164 PolarHBondContact O-N 3.37Å; Q160-S164 PolarHBondContact O-OG 2.98Å; V161-S164 PolarHBondContact O-N 3.4Å; V161-S164 PolarHBondContact O-OG 3.11Å; R162-S164 PolarHBondContact O-N 3.43Å; S164-R168 VanDerWaalsContact O-CB 3.24Å; S164-R168 WeakPolarHBondContact O-CB 3.34Å; S164-R168 PolarHBondContact O-N 2.76Å |
| 165 | N | 90.3 | Very high | 92.6 | Very high | 106 Ų | 106 | 98.6 Ų | 98.6 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.2 | -43.4 | 177.3 | -163.7 | -32.1 | 0 | 0 | 0 | 111.2 | V161 R162 Q163 R168 S169 | V161-N165 PolarHBondContact O-N 3.44Å; V161-N165 VanDerWaalsContact O-N 3.09Å; R162-N165 PolarHBondContact O-N 3.47Å; Q163-N165 PolarHBondContact O-N 3.09Å; N165-R168 PolarHBondContact O-N 3.39Å; N165-S169 WeakPolarHBondContact O-CB 3.4Å; N165-S169 PolarHBondContact O-N 2.88Å |
| 166 | I | 89.3 | Confident | 92.4 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 174.2 | -65.7 | 166.4 | 0 | 0 | 0 | 110 | R162 Q163 R168 S169 L170 | R162-I166 WeakPolarHBondContact O-CG1 3.45Å; R162-I166 PolarHBondContact O-N 2.94Å; Q163-I166 PolarHBondContact O-N 2.93Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 3.14Å; I166-S169 PolarHBondContact O-N 3.38Å; I166-S169 VanDerWaalsContact O-N 3.14Å; I166-S169 PolarHBondContact O-OG 2.99Å; I166-L170 WeakPolarHBondContact O-CB 3.22Å; I166-L170 PolarHBondContact O-N 3.17Å |
| 167 | D | 89.9 | Confident | 92.1 | Very high | 75 Ų | 75 | 100 Ų | 100 | 40% | 0.401 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 179.7 | -66.2 | -17.3 | 0 | 0 | 0 | 111.2 | Q163 S169 L170 I171 | Q163-D167 PolarHBondContact NE2-OD1 2.87Å; Q163-D167 VanDerWaalsContact O-CG 3.24Å; Q163-D167 PolarHBondContact O-N 3.23Å; D167-S169 PolarHBondContact O-N 2.91Å; D167-L170 PolarHBondContact O-N 3.43Å; D167-I171 WeakPolarHBondContact O-CD1 3.45Å; D167-I171 WeakPolarHBondContact O-CG1 3.24Å; D167-I171 PolarHBondContact O-N 3.02Å |
| 168 | R | 89.6 | Confident | 91.8 | Very high | 178 Ų | 178 | 101.7 Ų | 101.7 | 67% | 0.672 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 176.3 | -175.7 | 177.2 | -177.8 | 165.6 | 0.4 | 111.9 | S164 N165 I166 L170 I171 L172 | S164-R168 VanDerWaalsContact O-CB 3.24Å; S164-R168 WeakPolarHBondContact O-CB 3.34Å; S164-R168 PolarHBondContact O-N 2.76Å; N165-R168 PolarHBondContact O-N 3.39Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 3.14Å; R168-L170 VanDerWaalsContact C-N 3.32Å; R168-L170 PolarHBondContact O-N 2.94Å; R168-I171 PolarHBondContact O-N 3.49Å; R168-L172 HydrophobicContact CG-CD1 4.24Å; R168-L172 WeakPolarHBondContact O-CB 3.3Å; R168-L172 VanDerWaalsContact O-CG 3.3Å; R168-L172 WeakPolarHBondContact O-CG 3.5Å; R168-L172 PolarHBondContact O-N 3.33Å |
| 169 | S | 90.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 106 Ų | 106 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 178.9 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | N165 I166 D167 L172 A173 | N165-S169 WeakPolarHBondContact O-CB 3.4Å; N165-S169 PolarHBondContact O-N 2.88Å; I166-S169 PolarHBondContact O-N 3.38Å; I166-S169 VanDerWaalsContact O-N 3.14Å; I166-S169 PolarHBondContact O-OG 2.99Å; D167-S169 PolarHBondContact O-N 2.91Å; S169-L172 PolarHBondContact O-N 3.34Å; S169-A173 WeakPolarHBondContact O-CB 3.46Å; S169-A173 PolarHBondContact O-N 3.47Å |
| 170 | L | 91.8 | Very high | 91 | Very high | 94 Ų | 94 | 108.1 Ų | 108.1 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 178.7 | -173.9 | 134.7 | 0 | 0 | 0 | 111.5 | I166 D167 R168 L172 A173 Q174 | I166-L170 WeakPolarHBondContact O-CB 3.22Å; I166-L170 PolarHBondContact O-N 3.17Å; D167-L170 PolarHBondContact O-N 3.43Å; R168-L170 VanDerWaalsContact C-N 3.32Å; R168-L170 PolarHBondContact O-N 2.94Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 3.33Å; L170-A173 PolarHBondContact O-N 2.95Å; L170-Q174 WeakPolarHBondContact O-CB 3.5Å; L170-Q174 WeakPolarHBondContact O-CG 3.06Å; L170-Q174 PolarHBondContact O-N 2.93Å |
| 171 | I | 91.1 | Very high | 90.3 | Very high | 105 Ų | 105 | 107.4 Ų | 107.4 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.3 | -68.8 | 164.5 | 0 | 0 | 0 | 110.8 | D167 R168 Q174 K175 | D167-I171 WeakPolarHBondContact O-CD1 3.45Å; D167-I171 WeakPolarHBondContact O-CG1 3.24Å; D167-I171 PolarHBondContact O-N 3.02Å; R168-I171 PolarHBondContact O-N 3.49Å; I171-Q174 PolarHBondContact O-N 3.27Å; I171-K175 WeakPolarHBondContact O-CB 3.31Å; I171-K175 PolarHBondContact O-N 3.44Å |
| 172 | L | 91.5 | Very high | 89.5 | Confident | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 177.9 | -72.2 | 173.5 | 0 | 0 | 0 | 111.9 | R168 S169 L170 K175 E176 | R168-L172 HydrophobicContact CG-CD1 4.24Å; R168-L172 WeakPolarHBondContact O-CB 3.3Å; R168-L172 VanDerWaalsContact O-CG 3.3Å; R168-L172 WeakPolarHBondContact O-CG 3.5Å; R168-L172 PolarHBondContact O-N 3.33Å; S169-L172 PolarHBondContact O-N 3.34Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 3.33Å; L172-K175 PolarHBondContact O-N 2.95Å; L172-E176 PolarHBondContact O-N 2.95Å |
| 173 | A | 90.5 | Very high | 88.7 | Confident | 62 Ų | 62 | 107.1 Ų | 107.1 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | S169 L170 K175 E176 E177 | S169-A173 WeakPolarHBondContact O-CB 3.46Å; S169-A173 PolarHBondContact O-N 3.47Å; L170-A173 PolarHBondContact O-N 2.95Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 3.45Å; A173-E176 PolarHBondContact O-N 3.05Å; A173-E177 WeakPolarHBondContact O-CB 3.37Å; A173-E177 PolarHBondContact O-N 3.35Å |
| 174 | Q | 92.3 | Very high | 87.7 | Confident | 97 Ų | 97 | 107.2 Ų | 107.2 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 175.1 | -74.1 | -175.2 | 0.3 | 0 | 0 | 112.3 | L170 I171 R178 | L170-Q174 WeakPolarHBondContact O-CB 3.5Å; L170-Q174 WeakPolarHBondContact O-CG 3.06Å; L170-Q174 PolarHBondContact O-N 2.93Å; I171-Q174 PolarHBondContact O-N 3.27Å; Q174-R178 VanDerWaalsContact O-CG 3.31Å; Q174-R178 WeakPolarHBondContact O-CG 3.46Å; Q174-R178 PolarHBondContact O-N 3.48Å |
| 175 | K | 92.5 | Very high | 86.7 | Confident | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 176.7 | -175.6 | 178.5 | 178.1 | -179.6 | 0 | 111.5 | I171 L172 A173 R178 R179 | I171-K175 WeakPolarHBondContact O-CB 3.31Å; I171-K175 PolarHBondContact O-N 3.44Å; L172-K175 PolarHBondContact O-N 2.95Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 3.45Å; K175-R178 PolarHBondContact O-N 3.36Å; K175-R179 WeakPolarHBondContact O-CG 3.42Å; K175-R179 PolarHBondContact O-N 3.1Å; K175-R179 VanDerWaalsContact O-N 3.11Å |
| 176 | E | 91.1 | Very high | 85.5 | Confident | 82 Ų | 82 | 109.4 Ų | 109.4 | 38% | 0.383 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 176.5 | 176.8 | 56 | -160.9 | 0 | 0 | 111.6 | L172 A173 R178 R179 R180 | L172-E176 PolarHBondContact O-N 2.95Å; A173-E176 PolarHBondContact O-N 3.05Å; E176-R178 VanDerWaalsContact C-N 3.32Å; E176-R178 PolarHBondContact O-N 3.46Å; E176-R179 WeakPolarHBondContact O-CB 3.37Å; E176-R179 PolarHBondContact O-N 3.49Å; E176-R180 PolarHBondContact O-N 2.9Å; E176-R180 IonicContact OE1-CZ 3.91Å; E176-R180 IonicContact OE1-NE 3.67Å; E176-R180 PolarHBondContact OE1-NE 3.47Å; E176-R180 IonicContact OE1-NH2 2.85Å; E176-R180 PolarHBondContact OE1-NH2 3.11Å |
| 177 | E | 90 | Very high | 84.5 | Confident | 87 Ų | 87 | 111 Ų | 111 | 41% | 0.407 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 176.8 | -177.7 | 60.3 | -162.4 | 0 | 0 | 112.2 | A173 R179 R180 K181 | A173-E177 WeakPolarHBondContact O-CB 3.37Å; A173-E177 PolarHBondContact O-N 3.35Å; E177-R179 VanDerWaalsContact C-N 3.32Å; E177-R179 PolarHBondContact O-N 3.05Å; E177-R180 PolarHBondContact O-N 3.39Å; E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 3.17Å; E177-K181 VanDerWaalsContact O-N 3.1Å; E177-K181 WeakPolarHBondContact OE1-CE 3.48Å; E177-K181 IonicContact OE1-NZ 3.96Å; E177-K181 PolarHBondContact OE1-NZ 3.46Å |
| 178 | R | 89.7 | Confident | 83.1 | Confident | 179 Ų | 179 | 118.3 Ų | 118.3 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.6 | -37.4 | 174.1 | -72.8 | 177.6 | -168 | 178.9 | 6.4 | 112.1 | Q174 K175 E176 H182 | Q174-R178 VanDerWaalsContact O-CG 3.31Å; Q174-R178 WeakPolarHBondContact O-CG 3.46Å; Q174-R178 PolarHBondContact O-N 3.48Å; K175-R178 PolarHBondContact O-N 3.36Å; E176-R178 VanDerWaalsContact C-N 3.32Å; E176-R178 PolarHBondContact O-N 3.46Å; R178-H182 PolarHBondContact O-N 2.99Å |
| 179 | R | 88.4 | Confident | 81.2 | Confident | 163 Ų | 163 | 111.8 Ų | 111.8 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.7 | -44.2 | 176.4 | -75.6 | -175.4 | 64.3 | 90.4 | 3.5 | 111.6 | K175 E176 E177 H182 T183 | K175-R179 WeakPolarHBondContact O-CG 3.42Å; K175-R179 PolarHBondContact O-N 3.1Å; K175-R179 VanDerWaalsContact O-N 3.11Å; E176-R179 WeakPolarHBondContact O-CB 3.37Å; E176-R179 PolarHBondContact O-N 3.49Å; E177-R179 VanDerWaalsContact C-N 3.32Å; E177-R179 PolarHBondContact O-N 3.05Å; R179-H182 PolarHBondContact O-N 3.24Å; R179-T183 PolarHBondContact O-N 2.92Å; R179-T183 PolarHBondContact O-OG1 2.99Å |
| 180 | R | 84.6 | Confident | 79.5 | Confident | 138 Ų | 138 | 115 Ų | 115 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.6 | -47 | 178 | -68.8 | 179.9 | -177.2 | -168.9 | -2.6 | 112.5 | E176 E177 H182 T183 D184 | E176-R180 PolarHBondContact O-N 2.9Å; E176-R180 IonicContact OE1-CZ 3.91Å; E176-R180 IonicContact OE1-NE 3.67Å; E176-R180 PolarHBondContact OE1-NE 3.47Å; E176-R180 IonicContact OE1-NH2 2.85Å; E176-R180 PolarHBondContact OE1-NH2 3.11Å; E177-R180 PolarHBondContact O-N 3.39Å; R180-H182 VanDerWaalsContact C-N 3.25Å; R180-H182 PolarHBondContact O-N 3.38Å; R180-T183 WeakPolarHBondContact CA-OG1 3.46Å; R180-T183 PolarHBondContact O-N 2.77Å; R180-T183 VanDerWaalsContact O-N 3.17Å; R180-T183 PolarHBondContact O-OG1 3.28Å; R180-D184 VanDerWaalsContact O-CG 3.27Å; R180-D184 PolarHBondContact O-N 3.18Å |
| 181 | K | 82 | Confident | 77.3 | Confident | 116 Ų | 116 | 119.6 Ų | 119.6 | 50% | 0.504 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.3 | -38.4 | 174.8 | -72.4 | 175.9 | 177.3 | 165.2 | 0 | 112.6 | E177 N185 | E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 3.17Å; E177-K181 VanDerWaalsContact O-N 3.1Å; E177-K181 WeakPolarHBondContact OE1-CE 3.48Å; E177-K181 IonicContact OE1-NZ 3.96Å; E177-K181 PolarHBondContact OE1-NZ 3.46Å; K181-N185 WeakPolarHBondContact O-CB 3.38Å; K181-N185 VanDerWaalsContact O-CG 3.25Å; K181-N185 PolarHBondContact O-N 3.02Å; K181-N185 PolarHBondContact O-ND2 3.09Å |
| 182 | H | 77 | Confident | 76.6 | Confident | 140 Ų | 140 | 120.3 Ų | 120.3 | 65% | 0.648 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.4 | -35.5 | 179.4 | -154.4 | -31.2 | 0 | 0 | 0 | 112.5 | R178 R179 R180 S186 | R178-H182 PolarHBondContact O-N 2.99Å; R179-H182 PolarHBondContact O-N 3.24Å; R180-H182 VanDerWaalsContact C-N 3.25Å; R180-H182 PolarHBondContact O-N 3.38Å; H182-S186 PolarHBondContact O-N 3.49Å |
| 183 | T | 76.1 | Confident | 75.8 | Confident | 76 Ų | 76 | 121.4 Ų | 121.4 | 47% | 0.466 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.3 | -41.6 | 174.8 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | R179 R180 N185 S186 V187 | R179-T183 PolarHBondContact O-N 2.92Å; R179-T183 PolarHBondContact O-OG1 2.99Å; R180-T183 WeakPolarHBondContact CA-OG1 3.46Å; R180-T183 PolarHBondContact O-N 2.77Å; R180-T183 VanDerWaalsContact O-N 3.17Å; R180-T183 PolarHBondContact O-OG1 3.28Å; T183-N185 VanDerWaalsContact C-N 3.32Å; T183-N185 PolarHBondContact O-N 3.32Å; T183-S186 WeakPolarHBondContact O-CB 3.5Å; T183-S186 PolarHBondContact O-N 3.17Å; T183-S186 VanDerWaalsContact O-N 3.09Å; T183-V187 WeakPolarHBondContact O-CG2 3.49Å; T183-V187 PolarHBondContact O-N 3.4Å |
| 184 | D | 72.9 | Confident | 75 | Confident | 100 Ų | 100 | 124.7 Ų | 124.7 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.8 | -40 | 179.4 | -67.9 | -19.2 | 0 | 0 | 0 | 111.8 | R180 S186 V187 R188 | R180-D184 VanDerWaalsContact O-CG 3.27Å; R180-D184 PolarHBondContact O-N 3.18Å; D184-S186 VanDerWaalsContact C-N 3.33Å; D184-S186 PolarHBondContact O-N 3.42Å; D184-V187 PolarHBondContact O-N 3.18Å; D184-R188 PolarHBondContact O-N 3.22Å |
| 185 | N | 69.7 | Low | 74 | Confident | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.6 | -32.2 | 174.9 | -71.2 | -11.8 | 0 | 0 | 0 | 112.7 | K181 T183 G189 | K181-N185 WeakPolarHBondContact O-CB 3.38Å; K181-N185 VanDerWaalsContact O-CG 3.25Å; K181-N185 PolarHBondContact O-N 3.02Å; K181-N185 PolarHBondContact O-ND2 3.09Å; T183-N185 VanDerWaalsContact C-N 3.32Å; T183-N185 PolarHBondContact O-N 3.32Å; N185-G189 PolarHBondContact O-N 3.46Å |
| 186 | S | 66.5 | Low | 72.8 | Confident | 94 Ų | 94 | 125.9 Ų | 125.9 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.9 | -32.2 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 112.5 | H182 T183 D184 | H182-S186 PolarHBondContact O-N 3.49Å; T183-S186 WeakPolarHBondContact O-CB 3.5Å; T183-S186 PolarHBondContact O-N 3.17Å; T183-S186 VanDerWaalsContact O-N 3.09Å; D184-S186 VanDerWaalsContact C-N 3.33Å; D184-S186 PolarHBondContact O-N 3.42Å |
| 187 | V | 67.5 | Low | 71.6 | Confident | 125 Ų | 125 | 128.8 Ų | 128.8 | 76% | 0.758 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.3 | -27.5 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | T183 D184 | T183-V187 WeakPolarHBondContact O-CG2 3.49Å; T183-V187 PolarHBondContact O-N 3.4Å; D184-V187 PolarHBondContact O-N 3.18Å |
| 188 | R | 60.1 | Low | 70.3 | Confident | 228 Ų | 228 | 131.8 Ų | 131.8 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 12.9 | 173.6 | -74.8 | -175.7 | -165.3 | -132.4 | 1.1 | 114.6 | D184 | D184-R188 PolarHBondContact O-N 3.22Š|
| 189 | G | 49 | Very low | 68.8 | Low | 42 Ų | 42 | 128.2 Ų | 128.2 | 43% | 0.433 | 68% | 0.68 | S | S | . | * | trans | -55.4 | 149 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N185 S191 | N185-G189 PolarHBondContact O-N 3.46Å; G189-S191 PolarHBondContact O-N 3.46Å | ||
| 190 | P | 55.7 | Low | 67.1 | Low | 130 Ų | 130 | 125.3 Ų | 125.3 | 84% | 0.844 | 69% | 0.685 | S | S | * | * | trans | -68.8 | 126.4 | -145.8 | 28.1 | -33.7 | 0 | 0 | 0 | 112.8 | ||||
| 191 | S | 44.6 | Very low | 65.6 | Low | 190 Ų | 190 | 124.1 Ų | 124.1 | 100% | 1.329 | 70% | 0.7 | S | S | * | * | trans | -67.6 | 0 | 151.8 | -57.5 | 0 | 0 | 0 | 0 | 110 | G189 | G189-S191 PolarHBondContact O-N 3.46Š|
Retrieved 191 of 191 residues in 81.8 ms
(Link to these results)