| 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 | 45.4 | Very low | 47.1 | Very low | 245 Ų | 245 | 160.8 Ų | 160.8 | 100% | 1.207 | 87% | 0.874 | S | S | * | * | 0 | 125.5 | 0 | -80.4 | 177 | -173.4 | 0 | 0 | 107.9 | |||||
| 2 | F | 43.8 | Very low | 46.7 | Very low | 208 Ų | 208 | 157.9 Ų | 157.9 | 91% | 0.912 | 86% | 0.856 | S | S | * | * | trans | -73.9 | 136.2 | -160.3 | -82.6 | -101.9 | 0 | 0 | 0 | 114.3 | ||||
| 3 | C | 39 | Very low | 45.9 | Very low | 118 Ų | 118 | 162.6 Ų | 162.6 | 80% | 0.797 | 86% | 0.856 | S | S | * | * | trans | -68.2 | 142.8 | 150.6 | -85.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | L | 52.6 | Low | 46 | Very low | 165 Ų | 165 | 158.6 Ų | 158.6 | 86% | 0.864 | 86% | 0.858 | S | S | * | * | trans | -167.4 | 126.2 | 141.5 | -104.4 | 155.8 | 0 | 0 | 0 | 111.1 | ||||
| 5 | V | 47 | Very low | 45.8 | Very low | 141 Ų | 141 | 161.1 Ų | 161.1 | 86% | 0.855 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -84 | 126.3 | 177.8 | -146.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 6 | G | 54.5 | Low | 45.3 | Very low | 82 Ų | 82 | 161.5 Ų | 161.5 | 85% | 0.845 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 116.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 7 | L | 45.5 | Very low | 45.6 | Very low | 170 Ų | 170 | 156.7 Ų | 156.7 | 89% | 0.89 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 134.7 | 167.2 | -105 | 147.3 | 0 | 0 | 0 | 109.4 | ||
| 8 | S | 55.1 | Low | 45.3 | Very low | 111 Ų | 111 | 157.3 Ų | 157.3 | 78% | 0.776 | 86% | 0.863 | S | S | * | * | trans | 169.5 | 171.4 | 149.8 | -105.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 9 | P | 52.8 | Low | 45 | Very low | 106 Ų | 106 | 161.2 Ų | 161.2 | 69% | 0.688 | 86% | 0.864 | S | S | * | * | cis | -142.9 | 167.4 | -43.7 | 34.9 | -17.4 | 0 | 0 | 0 | 111.8 | ||||
| 10 | R | 42 | Very low | 45.3 | Very low | 222 Ų | 222 | 159.6 Ų | 159.6 | 84% | 0.838 | 86% | 0.86 | S | S | * | * | trans | 163.7 | 122.7 | 139.7 | -99.6 | 174.7 | 168 | -175.9 | -2.7 | 111.4 | ||||
| 11 | Q | 40.5 | Very low | 44.9 | Very low | 201 Ų | 201 | 162 Ų | 162 | 94% | 0.939 | 86% | 0.862 | S | S | * | * | trans | -143.9 | 129.4 | 133.8 | -80.1 | -159.3 | -31.4 | 0 | 0 | 109.9 | ||||
| 12 | L | 42.3 | Very low | 44.7 | Very low | 126 Ų | 126 | 153 Ų | 153 | 66% | 0.66 | 83% | 0.832 | S | S | * | * | trans | -87.3 | 142.8 | 170.9 | -95.8 | 104.7 | 0 | 0 | 0 | 110.1 | ||||
| 13 | Y | 36.2 | Very low | 45 | Very low | 219 Ų | 219 | 149.3 Ų | 149.3 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | 33 | 126.6 | 137 | -66.5 | -99.5 | 0 | 0 | 0 | 120.7 | ||||
| 14 | A | 47.8 | Very low | 45.7 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | -160 | 133.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | E | 42.5 | Very low | 45.8 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -89.2 | 159.6 | -172.4 | -160.5 | -177.1 | 162 | 0 | 0 | 112.4 | ||||
| 16 | N | 38.3 | Very low | 46.2 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -72.7 | 143.6 | -173.7 | -72.6 | -56 | 0 | 0 | 0 | 114.5 | ||||
| 17 | G | 49.4 | Very low | 46.4 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -158.7 | 104.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 18 | N | 40 | Very low | 47.2 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -91.8 | 124.4 | -175.3 | -170.9 | 13.4 | 0 | 0 | 0 | 110.6 | ||||
| 19 | R | 41.2 | Very low | 47.6 | Very low | 231 Ų | 231 | 143.2 Ų | 143.2 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -156.8 | 112.7 | 163.4 | -156.2 | 167.3 | -113.3 | -151.7 | -0.4 | 114.8 | ||||
| 20 | V | 49.6 | Very low | 48.1 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | 72.1 | 112 | 145.3 | -175.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 21 | K | 37.4 | Very low | 49.1 | Very low | 211 Ų | 211 | 134 Ų | 134 | 92% | 0.917 | 72% | 0.716 | S | S | * | * | trans | -74 | 114.9 | 176.4 | -67.9 | 173.8 | 175.4 | 175 | 0 | 111.1 | ||||
| 22 | G | 42.1 | Very low | 50.1 | Low | 55 Ų | 55 | 132 Ų | 132 | 57% | 0.567 | 70% | 0.7 | S | S | * | * | trans | -103.2 | 124 | 162 | 0 | 0 | 0 | 0 | 0 | 110.2 | G24 H25 | G22-G24 PolarHBondContact O-N 3.13Å; G22-H25 PolarHBondContact O-N 3.22Å | ||
| 23 | S | 49.2 | Very low | 51 | Low | 132 Ų | 132 | 133.9 Ų | 133.9 | 92% | 0.923 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 5.7 | -170.7 | -32.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 24 | G | 53.3 | Low | 51.9 | Low | 59 Ų | 59 | 130.9 Ų | 130.9 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -11.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G22 Y26 | G22-G24 PolarHBondContact O-N 3.13Å; G24-Y26 PolarHBondContact O-N 3.43Å |
| 25 | H | 54.6 | Low | 52.2 | Low | 117 Ų | 117 | 130.9 Ų | 130.9 | 54% | 0.542 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -80.3 | -15.6 | -173 | -119.4 | -88.1 | 0 | 0 | 0 | 114.7 | G22 D29 | G22-H25 PolarHBondContact O-N 3.22Å; H25-D29 IonicContact ND1-OD2 3.45Å; H25-D29 PolarHBondContact ND1-OD2 3.4Å; H25-D29 WeakPolarHBondContact O-CB 3.44Å; H25-D29 PolarHBondContact O-N 3.4Å |
| 26 | Y | 56.9 | Low | 52.8 | Low | 186 Ų | 186 | 130.5 Ų | 130.5 | 73% | 0.729 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.9 | -38.1 | -176.7 | -167.3 | -102.5 | 0 | 0 | 0 | 112.1 | G24 V30 | G24-Y26 PolarHBondContact O-N 3.43Å; Y26-V30 HydrophobicContact CD1-CG2 4Å; Y26-V30 HydrophobicContact CE1-CG2 3.76Å; Y26-V30 HydrophobicContact CE2-CG2 4.44Å; Y26-V30 HydrophobicContact CG-CG2 4.46Å; Y26-V30 VanDerWaalsContact O-CB 3.26Å; Y26-V30 WeakPolarHBondContact O-CB 3.49Å; Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.2Å |
| 27 | L | 58.5 | Low | 53.6 | Low | 124 Ų | 124 | 127.6 Ų | 127.6 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.6 | -41.7 | 178.1 | -153 | 77.4 | 0 | 0 | 0 | 111 | V30 L31 | L27-V30 PolarHBondContact O-N 3.32Å; L27-L31 HydrophobicContact CD2-CD1 4.42Å; L27-L31 HydrophobicContact CG-CD1 4.15Å; L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 WeakPolarHBondContact O-CD1 3.35Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.3Å |
| 28 | E | 60.9 | Low | 53.8 | Low | 118 Ų | 118 | 133.6 Ų | 133.6 | 55% | 0.551 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59 | -46 | 172.9 | -84.4 | -77.8 | 151.8 | 0 | 0 | 112.2 | L31 R32 | E28-L31 PolarHBondContact O-N 3.3Å; E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 PolarHBondContact O-N 3.09Å |
| 29 | D | 63.2 | Low | 54.7 | Low | 54 Ų | 54 | 131 Ų | 131 | 29% | 0.289 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72.7 | -29.8 | 178.7 | -74.1 | -37.4 | 0 | 0 | 0 | 112.8 | H25 R32 K33 | H25-D29 IonicContact ND1-OD2 3.45Å; H25-D29 PolarHBondContact ND1-OD2 3.4Å; H25-D29 WeakPolarHBondContact O-CB 3.44Å; H25-D29 PolarHBondContact O-N 3.4Å; D29-R32 IonicContact OD1-CZ 3.3Å; D29-R32 VanDerWaalsContact OD1-CZ 3.3Å; D29-R32 IonicContact OD1-NH1 2.7Å; D29-R32 PolarHBondContact OD1-NH1 3.1Å; D29-R32 IonicContact OD1-NH2 3.82Å; D29-R32 PolarHBondContact OD1-NH2 3.37Å; D29-K33 VanDerWaalsContact O-CB 3.24Å; D29-K33 WeakPolarHBondContact O-CB 3.35Å; D29-K33 VanDerWaalsContact O-CG 3.29Å; D29-K33 WeakPolarHBondContact O-CG 3.39Å; D29-K33 PolarHBondContact O-N 3.25Å |
| 30 | V | 64.7 | Low | 55.7 | Low | 47 Ų | 47 | 128.8 Ų | 128.8 | 29% | 0.285 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -74.2 | -38.9 | 173.8 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | Y26 L27 K33 K34 | Y26-V30 HydrophobicContact CD1-CG2 4Å; Y26-V30 HydrophobicContact CE1-CG2 3.76Å; Y26-V30 HydrophobicContact CE2-CG2 4.44Å; Y26-V30 HydrophobicContact CG-CG2 4.46Å; Y26-V30 VanDerWaalsContact O-CB 3.26Å; Y26-V30 WeakPolarHBondContact O-CB 3.49Å; Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.2Å; L27-V30 PolarHBondContact O-N 3.32Å; V30-K33 PolarHBondContact O-N 3.2Å; V30-K34 WeakPolarHBondContact O-CB 3.4Å; V30-K34 PolarHBondContact O-N 3.43Å |
| 31 | L | 63 | Low | 56.4 | Low | 88 Ų | 88 | 129 Ų | 129 | 46% | 0.461 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.7 | -41.3 | 172.9 | -71.7 | 164.1 | 0 | 0 | 0 | 110.9 | L27 E28 K33 K34 N35 | L27-L31 HydrophobicContact CD2-CD1 4.42Å; L27-L31 HydrophobicContact CG-CD1 4.15Å; L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 WeakPolarHBondContact O-CD1 3.35Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.3Å; E28-L31 PolarHBondContact O-N 3.3Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-K34 PolarHBondContact O-N 3.25Å; L31-N35 PolarHBondContact O-N 3.28Å; L31-N35 PolarHBondContact O-ND2 3.06Å; L31-N35 PolarHBondContact O-OD1 3.43Å |
| 32 | R | 61.1 | Low | 57.6 | Low | 160 Ų | 160 | 125.8 Ų | 125.8 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.6 | -29.4 | 175.6 | -160.1 | 163.5 | 88.3 | -107.3 | -2.6 | 112.8 | E28 D29 | E28-R32 WeakPolarHBondContact O-CB 3.4Å; E28-R32 PolarHBondContact O-N 3.09Å; D29-R32 IonicContact OD1-CZ 3.3Å; D29-R32 VanDerWaalsContact OD1-CZ 3.3Å; D29-R32 IonicContact OD1-NH1 2.7Å; D29-R32 PolarHBondContact OD1-NH1 3.1Å; D29-R32 IonicContact OD1-NH2 3.82Å; D29-R32 PolarHBondContact OD1-NH2 3.37Å |
| 33 | K | 61.8 | Low | 58.7 | Low | 164 Ų | 164 | 127.9 Ų | 127.9 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.5 | -36.1 | 172.8 | -82 | 174.7 | 175.6 | 174.8 | 0 | 113.4 | D29 V30 L31 N35 K36 | D29-K33 VanDerWaalsContact O-CB 3.24Å; D29-K33 WeakPolarHBondContact O-CB 3.35Å; D29-K33 VanDerWaalsContact O-CG 3.29Å; D29-K33 WeakPolarHBondContact O-CG 3.39Å; D29-K33 PolarHBondContact O-N 3.25Å; V30-K33 PolarHBondContact O-N 3.2Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.27Å; K33-N35 VanDerWaalsContact C-N 3.29Å; K33-N35 PolarHBondContact O-N 2.88Å; K33-K36 PolarHBondContact O-N 3.37Å |
| 34 | K | 55.5 | Low | 59.6 | Low | 157 Ų | 157 | 123.4 Ų | 123.4 | 68% | 0.683 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71 | -22.1 | 177.1 | -90.7 | -179.2 | 172.8 | 174.9 | 0 | 113.7 | V30 L31 K36 S37 | V30-K34 WeakPolarHBondContact O-CB 3.4Å; V30-K34 PolarHBondContact O-N 3.43Å; L31-K34 PolarHBondContact O-N 3.25Å; K34-K36 VanDerWaalsContact C-N 3.32Å; K34-S37 PolarHBondContact O-OG 2.98Å |
| 35 | N | 53.7 | Low | 60.3 | Low | 106 Ų | 106 | 130.1 Ų | 130.1 | 57% | 0.567 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -89.5 | 4.4 | -179.9 | -61.4 | -9 | 0 | 0 | 0 | 113.5 | L31 K33 S37 | L31-N35 PolarHBondContact O-N 3.28Å; L31-N35 PolarHBondContact O-ND2 3.06Å; L31-N35 PolarHBondContact O-OD1 3.43Å; K33-N35 VanDerWaalsContact C-N 3.29Å; K33-N35 PolarHBondContact O-N 2.88Å; N35-S37 VanDerWaalsContact C-N 3.33Å |
| 36 | K | 55.1 | Low | 60.8 | Low | 187 Ų | 187 | 132.5 Ų | 132.5 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -84.5 | -4.1 | -178.3 | -136.8 | 154.4 | -173.6 | 174.4 | 0 | 114.1 | K33 K34 | K33-K36 PolarHBondContact O-N 3.37Å; K34-K36 VanDerWaalsContact C-N 3.32Å |
| 37 | S | 55.4 | Low | 61 | Low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -96.7 | -3.8 | 171.6 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | K34 N35 T39 | K34-S37 PolarHBondContact O-OG 2.98Å; N35-S37 VanDerWaalsContact C-N 3.33Å; S37-T39 PolarHBondContact O-N 3.04Å |
| 38 | R | 52.3 | Low | 61.2 | Low | 207 Ų | 207 | 130.5 Ų | 130.5 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -78.5 | 103.4 | 167.8 | -98.7 | 175.7 | 88 | 132 | -2.8 | 108.4 | Q40 | R38-Q40 PolarHBondContact O-N 3.18Š|
| 39 | T | 60 | Low | 61.2 | Low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.693 | 66% | 0.657 | S | S | * | * | trans | -26.3 | 103.8 | 168.9 | -29.1 | 0 | 0 | 0 | 0 | 111.2 | S37 I41 | S37-T39 PolarHBondContact O-N 3.04Å; T39-I41 HydrophobicContact CG2-CD1 3.9Å; T39-I41 HydrophobicContact CG2-CG1 3.34Å; T39-I41 PolarHBondContact O-N 3.24Å | ||
| 40 | Q | 61.7 | Low | 61.4 | Low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 68% | 0.676 | S | S | * | * | trans | -72.3 | 80.9 | 165.1 | -74.6 | -69.2 | -38.9 | 0 | 0 | 106.7 | R38 Y42 | R38-Q40 PolarHBondContact O-N 3.18Å; Q40-Y42 PolarHBondContact O-N 3.08Å | ||
| 41 | I | 63.1 | Low | 61.7 | Low | 134 Ų | 134 | 139 Ų | 139 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | trans | -79.6 | 82.3 | 174.6 | -52.5 | 172.9 | 0 | 0 | 0 | 106.4 | T39 A43 | T39-I41 HydrophobicContact CG2-CD1 3.9Å; T39-I41 HydrophobicContact CG2-CG1 3.34Å; T39-I41 PolarHBondContact O-N 3.24Å; I41-A43 HydrophobicContact CG2-CB 4.09Å; I41-A43 PolarHBondContact O-N 3.3Å | ||
| 42 | Y | 63.1 | Low | 62.5 | Low | 144 Ų | 144 | 145.2 Ų | 145.2 | 57% | 0.565 | 72% | 0.724 | S | S | * | * | trans | -87.7 | 94.2 | 162.4 | -175.2 | -110.2 | 0 | 0 | 0 | 108 | Q40 G44 K46 | Q40-Y42 PolarHBondContact O-N 3.08Å; Y42-G44 WeakPolarHBondContact CD1-O 3.24Å; Y42-G44 WeakPolarHBondContact CE1-O 3.28Å; Y42-K46 HydrophobicContact CE1-CG 3.52Å; Y42-K46 WeakPolarHBondContact OH-CA 3.3Å; Y42-K46 WeakPolarHBondContact OH-CG 3.4Å; Y42-K46 PolarHBondContact OH-N 2.86Å; Y42-K46 VanDerWaalsContact OH-N 3.07Å | ||
| 43 | A | 65.6 | Low | 63.6 | Low | 99 Ų | 99 | 143.5 Ų | 143.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -99.3 | 45.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | I41 | I41-A43 HydrophobicContact CG2-CB 4.09Å; I41-A43 PolarHBondContact O-N 3.3Å | ||
| 44 | G | 67.3 | Low | 64.8 | Low | 38 Ų | 38 | 139.3 Ų | 139.3 | 39% | 0.392 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -139.1 | 147.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y42 K46 | Y42-G44 WeakPolarHBondContact CD1-O 3.24Å; Y42-G44 WeakPolarHBondContact CE1-O 3.28Å; G44-K46 PolarHBondContact O-N 3.12Å |
| 45 | K | 69.4 | Low | 66.5 | Low | 200 Ų | 200 | 135.3 Ų | 135.3 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | trans | -65.3 | 125 | 156.3 | -74.5 | 175.5 | 178.1 | 176.2 | 0 | 105.1 | H47 | K45-H47 PolarHBondContact O-N 2.79Š| ||
| 46 | K | 64.1 | Low | 68.5 | Low | 167 Ų | 167 | 136.8 Ų | 136.8 | 73% | 0.726 | 72% | 0.721 | S | S | * | * | trans | -50 | 117.6 | 162.1 | -59.5 | -175.9 | -177.3 | -177.2 | 0 | 103.8 | Y42 G44 A48 | Y42-K46 HydrophobicContact CE1-CG 3.52Å; Y42-K46 WeakPolarHBondContact OH-CA 3.3Å; Y42-K46 WeakPolarHBondContact OH-CG 3.4Å; Y42-K46 PolarHBondContact OH-N 2.86Å; Y42-K46 VanDerWaalsContact OH-N 3.07Å; G44-K46 PolarHBondContact O-N 3.12Å; K46-A48 PolarHBondContact O-N 2.97Å | ||
| 47 | H | 62.5 | Low | 70.2 | Confident | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -50 | 107.2 | 168.4 | -73.5 | -81.3 | 0 | 0 | 0 | 103.3 | K45 A49 | K45-H47 PolarHBondContact O-N 2.79Å; H47-A49 PolarHBondContact O-N 2.65Å | ||
| 48 | A | 62 | Low | 71.9 | Confident | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | trans | -50.3 | 118.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 102.9 | K46 V50 | K46-A48 PolarHBondContact O-N 2.97Å; A48-V50 PolarHBondContact O-N 3.49Å | ||
| 49 | A | 61 | Low | 73.9 | Confident | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | -45.7 | 118.5 | 179 | 0 | 0 | 0 | 0 | 0 | 105.1 | H47 E51 | H47-A49 PolarHBondContact O-N 2.65Å; A49-E51 PolarHBondContact O-N 3.21Å | ||
| 50 | V | 66.8 | Low | 75.4 | Confident | 111 Ų | 111 | 123.6 Ų | 123.6 | 67% | 0.673 | 66% | 0.663 | S | S | * | * | trans | -65.2 | 90.5 | -176.8 | 175 | 0 | 0 | 0 | 0 | 104.9 | A48 R52 V53 | A48-V50 PolarHBondContact O-N 3.49Å; V50-R52 VanDerWaalsContact CG1-O 3.24Å; V50-R52 WeakPolarHBondContact CG1-O 3.36Å; V50-R52 PolarHBondContact O-N 2.74Å; V50-R52 VanDerWaalsContact O-N 3.12Å; V50-V53 HydrophobicContact CG1-CG2 4.2Å | ||
| 51 | E | 71.4 | Confident | 76.9 | Confident | 201 Ų | 201 | 115.7 Ų | 115.7 | 94% | 0.939 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -59.4 | -28 | -173.6 | -72.2 | -178 | 170.6 | 0 | 0 | 110.5 | A49 | A49-E51 PolarHBondContact O-N 3.21Š|
| 52 | R | 79.4 | Confident | 78.2 | Confident | 217 Ų | 217 | 117.5 Ų | 117.5 | 82% | 0.819 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -148 | 128.9 | 173.8 | -178.8 | 177.8 | -82.4 | -169.1 | -6.9 | 109.6 | V50 | V50-R52 VanDerWaalsContact CG1-O 3.24Å; V50-R52 WeakPolarHBondContact CG1-O 3.36Å; V50-R52 PolarHBondContact O-N 2.74Å; V50-R52 VanDerWaalsContact O-N 3.12Å |
| 53 | V | 84.4 | Confident | 79.7 | Confident | 124 Ų | 124 | 114.8 Ų | 114.8 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -70 | 128.1 | 168.8 | -180 | 0 | 0 | 0 | 0 | 108 | V50 | V50-V53 HydrophobicContact CG1-CG2 4.2Š|
| 54 | S | 86.8 | Confident | 80.9 | Confident | 76 Ų | 76 | 113.3 Ų | 113.3 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 142.7 | 175.3 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 55 | S | 92.3 | Very high | 82.1 | Confident | 74 Ų | 74 | 112.2 Ų | 112.2 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 149.9 | 171.7 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | F57 E58 C59 | S55-F57 PolarHBondContact O-N 3.36Å; S55-F57 PolarHBondContact OG-N 2.95Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 VanDerWaalsContact O-N 3.09Å; S55-C59 PolarHBondContact O-N 3.43Å; S55-C59 VanDerWaalsContact O-N 3.08Å |
| 56 | L | 93.8 | Very high | 83.2 | Confident | 136 Ų | 136 | 107.2 Ų | 107.2 | 71% | 0.712 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -52 | -40.2 | 172.3 | 177.9 | 61.6 | 0 | 0 | 0 | 111.1 | E58 C59 C60 | L56-E58 PolarHBondContact O-N 2.97Å; L56-C59 PolarHBondContact O-N 3.24Å; L56-C60 WeakPolarHBondContact O-CB 3.4Å; L56-C60 PolarHBondContact O-N 2.92Å; L56-C60 PolarHBondContact O-SG 3.42Å |
| 57 | F | 92.1 | Very high | 84.5 | Confident | 107 Ų | 107 | 103.6 Ų | 103.6 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -56.8 | -48.1 | 177.4 | -178.6 | -106 | 0 | 0 | 0 | 112.4 | S55 C59 C60 L61 I81 | S55-F57 PolarHBondContact O-N 3.36Å; S55-F57 PolarHBondContact OG-N 2.95Å; F57-C59 PolarHBondContact O-N 2.99Å; F57-C60 PolarHBondContact O-N 3.24Å; F57-L61 HydrophobicContact CD1-CD1 3.81Å; F57-L61 HydrophobicContact CD1-CG 4.37Å; F57-L61 HydrophobicContact CE1-CD1 3.28Å; F57-L61 HydrophobicContact CE1-CG 4.08Å; F57-L61 HydrophobicContact CE2-CD1 4.37Å; F57-L61 HydrophobicContact CE2-CG 4.37Å; F57-L61 HydrophobicContact CZ-CD1 3.61Å; F57-L61 HydrophobicContact CZ-CD2 4.36Å; F57-L61 HydrophobicContact CZ-CG 4.07Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 2.89Å; F57-I81 HydrophobicContact CE2-CG2 4.39Å |
| 58 | E | 91.7 | Very high | 85.8 | Confident | 108 Ų | 108 | 95.2 Ų | 95.2 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 178.4 | -67.1 | -62.5 | 139.8 | 0 | 0 | 112.2 | S55 L56 L61 R62 | S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 VanDerWaalsContact O-N 3.09Å; L56-E58 PolarHBondContact O-N 2.97Å; E58-L61 PolarHBondContact O-N 3.25Å; E58-R62 WeakPolarHBondContact O-CB 3.4Å; E58-R62 PolarHBondContact O-N 2.68Å |
| 59 | C | 92.5 | Very high | 87.1 | Confident | 60 Ų | 60 | 96.7 Ų | 96.7 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.1 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | S55 L56 F57 R62 V63 | S55-C59 PolarHBondContact O-N 3.43Å; S55-C59 VanDerWaalsContact O-N 3.08Å; L56-C59 PolarHBondContact O-N 3.24Å; F57-C59 PolarHBondContact O-N 2.99Å; C59-R62 PolarHBondContact O-N 3.08Å; C59-V63 WeakPolarHBondContact O-CG2 3.4Å; C59-V63 PolarHBondContact O-N 3.32Å; C59-V63 VanDerWaalsContact O-N 3.09Å |
| 60 | C | 92 | Very high | 88.4 | Confident | 63 Ų | 63 | 96.6 Ų | 96.6 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 176.1 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | L56 F57 R62 V63 L64 | L56-C60 WeakPolarHBondContact O-CB 3.4Å; L56-C60 PolarHBondContact O-N 2.92Å; L56-C60 PolarHBondContact O-SG 3.42Å; F57-C60 PolarHBondContact O-N 3.24Å; C60-R62 VanDerWaalsContact C-N 3.27Å; C60-R62 PolarHBondContact O-N 3.12Å; C60-V63 PolarHBondContact O-N 3.48Å; C60-V63 VanDerWaalsContact O-N 3.15Å; C60-L64 VanDerWaalsContact O-CG 3.29Å; C60-L64 WeakPolarHBondContact O-CG 3.26Å; C60-L64 PolarHBondContact O-N 2.84Å |
| 61 | L | 92.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 92.5 Ų | 92.5 | 9% | 0.089 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -55.2 | -43.1 | 176.6 | -78.8 | -176.1 | 0 | 0 | 0 | 112 | F57 E58 L64 C65 P84 I85 | F57-L61 HydrophobicContact CD1-CD1 3.81Å; F57-L61 HydrophobicContact CD1-CG 4.37Å; F57-L61 HydrophobicContact CE1-CD1 3.28Å; F57-L61 HydrophobicContact CE1-CG 4.08Å; F57-L61 HydrophobicContact CE2-CD1 4.37Å; F57-L61 HydrophobicContact CE2-CG 4.37Å; F57-L61 HydrophobicContact CZ-CD1 3.61Å; F57-L61 HydrophobicContact CZ-CD2 4.36Å; F57-L61 HydrophobicContact CZ-CG 4.07Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 WeakPolarHBondContact O-CG 3.42Å; F57-L61 PolarHBondContact O-N 2.89Å; E58-L61 PolarHBondContact O-N 3.25Å; L61-L64 PolarHBondContact O-N 2.82Å; L61-C65 WeakPolarHBondContact O-CB 3.28Å; L61-C65 PolarHBondContact O-N 2.97Å; L61-C65 PolarHBondContact O-SG 3.47Å; L61-P84 HydrophobicContact CD1-CG 4.12Å; L61-P84 HydrophobicContact CD2-CG 4.02Å; L61-I85 HydrophobicContact CD2-CD1 3.81Å; L61-I85 HydrophobicContact CD2-CG1 3.77Å |
| 62 | R | 92.1 | Very high | 89.9 | Confident | 171 Ų | 171 | 84.4 Ų | 84.4 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.1 | -46.8 | 177.6 | -175.6 | 175 | -178.6 | 163.8 | 2.3 | 112.1 | E58 C59 C60 L64 C65 D66 | E58-R62 WeakPolarHBondContact O-CB 3.4Å; E58-R62 PolarHBondContact O-N 2.68Å; C59-R62 PolarHBondContact O-N 3.08Å; C60-R62 VanDerWaalsContact C-N 3.27Å; C60-R62 PolarHBondContact O-N 3.12Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.24Å; R62-C65 PolarHBondContact O-N 3.38Å; R62-D66 WeakPolarHBondContact O-CB 3.4Å; R62-D66 VanDerWaalsContact O-CG 3.26Å; R62-D66 PolarHBondContact O-N 2.89Å |
| 63 | V | 93.2 | Very high | 90.3 | Very high | 88 Ų | 88 | 82.4 Ų | 82.4 | 53% | 0.533 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 111 | C59 C60 D66 N67 | C59-V63 WeakPolarHBondContact O-CG2 3.4Å; C59-V63 PolarHBondContact O-N 3.32Å; C59-V63 VanDerWaalsContact O-N 3.09Å; C60-V63 PolarHBondContact O-N 3.48Å; C60-V63 VanDerWaalsContact O-N 3.15Å; V63-D66 PolarHBondContact O-N 3.44Å; V63-N67 PolarHBondContact O-N 2.87Å; V63-N67 VanDerWaalsContact O-N 3.12Å; V63-N67 PolarHBondContact O-ND2 2.88Å |
| 64 | L | 92.1 | Very high | 90.4 | Very high | 68 Ų | 68 | 77.3 Ų | 77.3 | 36% | 0.356 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 176.7 | -62.1 | 170.8 | 0 | 0 | 0 | 111.8 | C60 L61 R62 D66 N67 I68 L71 I85 | C60-L64 VanDerWaalsContact O-CG 3.29Å; C60-L64 WeakPolarHBondContact O-CG 3.26Å; C60-L64 PolarHBondContact O-N 2.84Å; L61-L64 PolarHBondContact O-N 2.82Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.24Å; L64-D66 VanDerWaalsContact C-N 3.31Å; L64-D66 PolarHBondContact O-N 2.93Å; L64-N67 CarbonylContact O-C 3.29Å; L64-N67 VanDerWaalsContact O-C 3.28Å; L64-N67 PolarHBondContact O-N 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3.48Å; L64-I68 VanDerWaalsContact O-N 3.14Å; L64-L71 HydrophobicContact CD2-CD2 3.86Å; L64-I85 HydrophobicContact CB-CD1 3.78Å; L64-I85 HydrophobicContact CB-CG1 4.32Å; L64-I85 HydrophobicContact CB-CG2 4.48Å; L64-I85 HydrophobicContact CD1-CD1 3.62Å; L64-I85 HydrophobicContact CG-CD1 4.35Å |
| 65 | C | 91.6 | Very high | 90.1 | Very high | 15 Ų | 15 | 76.2 Ų | 76.2 | 10% | 0.101 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.4 | -30.7 | 175.4 | -68.7 | 0 | 0 | 0 | 0 | 113.4 | L61 R62 N67 I68 R88 | L61-C65 WeakPolarHBondContact O-CB 3.28Å; L61-C65 PolarHBondContact O-N 2.97Å; L61-C65 PolarHBondContact O-SG 3.47Å; R62-C65 PolarHBondContact O-N 3.38Å; C65-N67 VanDerWaalsContact C-N 3.35Å; C65-I68 WeakPolarHBondContact O-CD1 3.47Å; C65-I68 VanDerWaalsContact O-CG1 3.3Å; C65-I68 WeakPolarHBondContact O-CG1 3.3Å; C65-R88 VanDerWaalsContact CB-NH1 3.29Å |
| 66 | D | 91.7 | Very high | 89.8 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -80.9 | -21.6 | 178.4 | -68.1 | -13.7 | 0 | 0 | 0 | 111.2 | R62 V63 L64 | R62-D66 WeakPolarHBondContact O-CB 3.4Å; R62-D66 VanDerWaalsContact O-CG 3.26Å; R62-D66 PolarHBondContact O-N 2.89Å; V63-D66 PolarHBondContact O-N 3.44Å; L64-D66 VanDerWaalsContact C-N 3.31Å; L64-D66 PolarHBondContact O-N 2.93Å |
| 67 | N | 91.3 | Very high | 89.5 | Confident | 91 Ų | 91 | 71.4 Ų | 71.4 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 46.6 | -178.5 | -59.6 | -88.1 | 0 | 0 | 0 | 111.7 | V63 L64 C65 D69 A70 | V63-N67 PolarHBondContact O-N 2.87Å; V63-N67 VanDerWaalsContact O-N 3.12Å; V63-N67 PolarHBondContact O-ND2 2.88Å; L64-N67 CarbonylContact O-C 3.29Å; L64-N67 VanDerWaalsContact O-C 3.28Å; L64-N67 PolarHBondContact O-N 3.31Å; C65-N67 VanDerWaalsContact C-N 3.35Å; N67-D69 PolarHBondContact O-N 2.96Å; N67-A70 HydrophobicContact CB-CB 4.43Å; N67-A70 PolarHBondContact O-N 3.08Å; N67-A70 VanDerWaalsContact O-N 3.11Å |
| 68 | I | 91.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -59.8 | -34.7 | -178.7 | -65.5 | 173.3 | 0 | 0 | 0 | 111.1 | L64 C65 A70 L71 I85 A89 Q93 I97 | L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3.48Å; L64-I68 VanDerWaalsContact O-N 3.14Å; C65-I68 WeakPolarHBondContact O-CD1 3.47Å; C65-I68 VanDerWaalsContact O-CG1 3.3Å; C65-I68 WeakPolarHBondContact O-CG1 3.3Å; I68-A70 PolarHBondContact O-N 3.22Å; I68-L71 HydrophobicContact CG2-CD1 4.37Å; I68-L71 VanDerWaalsContact O-CB 3.26Å; I68-L71 WeakPolarHBondContact O-CB 3.27Å; I68-L71 PolarHBondContact O-N 2.83Å; I68-I85 HydrophobicContact CD1-CG2 4.43Å; I68-I85 HydrophobicContact CG1-CG2 4.06Å; I68-A89 HydrophobicContact CD1-CB 4.23Å; I68-A89 HydrophobicContact CG2-CB 4.14Å; I68-Q93 HydrophobicContact CG2-CB 4.09Å; I68-Q93 HydrophobicContact CG2-CG 4.46Å; I68-I97 HydrophobicContact CG2-CD1 3.57Å |
| 69 | D | 88.9 | Confident | 89.3 | Confident | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -63.6 | -22 | 179.7 | -58.2 | -52.2 | 0 | 0 | 0 | 113.6 | N67 L71 Q93 | N67-D69 PolarHBondContact O-N 2.96Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-Q93 VanDerWaalsContact CG-NE2 3.34Å; D69-Q93 WeakPolarHBondContact OD1-CG 3.49Å; D69-Q93 PolarHBondContact OD1-NE2 3.26Å; D69-Q93 PolarHBondContact OD2-NE2 3.28Å |
| 70 | A | 89.1 | Confident | 89.2 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 69% | 0.694 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -85.7 | -5.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | N67 I68 G72 | N67-A70 HydrophobicContact CB-CB 4.43Å; N67-A70 PolarHBondContact O-N 3.08Å; N67-A70 VanDerWaalsContact O-N 3.11Å; I68-A70 PolarHBondContact O-N 3.22Å; A70-G72 PolarHBondContact O-N 3.42Å; A70-G72 VanDerWaalsContact O-N 3.08Å |
| 71 | L | 86.3 | Confident | 89.2 | Confident | 26 Ų | 26 | 70 Ų | 70 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | trans | -76.8 | 93.3 | 175.3 | -62.8 | 173.4 | 0 | 0 | 0 | 109.4 | L64 I68 D69 I85 I97 | L64-L71 HydrophobicContact CD2-CD2 3.86Å; I68-L71 HydrophobicContact CG2-CD1 4.37Å; I68-L71 VanDerWaalsContact O-CB 3.26Å; I68-L71 WeakPolarHBondContact O-CB 3.27Å; I68-L71 PolarHBondContact O-N 2.83Å; D69-L71 VanDerWaalsContact C-N 3.32Å; L71-I85 HydrophobicContact CD1-CG2 3.74Å; L71-I97 HydrophobicContact CB-CD1 4.33Å; L71-I97 HydrophobicContact CB-CG1 4.46Å; L71-I97 HydrophobicContact CD1-CD1 4.43Å | ||
| 72 | G | 83 | Confident | 89.1 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | trans | -82.8 | -125.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A70 T74 N101 | A70-G72 PolarHBondContact O-N 3.42Å; A70-G72 VanDerWaalsContact O-N 3.08Å; G72-T74 PolarHBondContact O-N 3.03Å; G72-N101 PolarHBondContact O-ND2 3.48Å | ||
| 73 | Y | 87.2 | Confident | 89.1 | Confident | 175 Ų | 175 | 65.1 Ų | 65.1 | 69% | 0.686 | 38% | 0.381 | S | S | * | . | trans | -67.8 | 118.1 | 173.7 | -175.6 | -112.3 | 0 | 0 | 0 | 110.7 | G75 Y100 | Y73-G75 VanDerWaalsContact C-N 3.34Å; Y73-G75 VanDerWaalsContact CE1-CA 3.46Å; Y73-Y100 WeakPolarHBondContact CD2-O 3.13Å | ||
| 74 | T | 85.7 | Confident | 89.1 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | trans | -86.9 | -3 | -176.4 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | G72 G76 I77 L82 N101 Y103 | G72-T74 PolarHBondContact O-N 3.03Å; T74-G76 PolarHBondContact O-N 2.91Å; T74-I77 WeakPolarHBondContact O-CD1 3.34Å; T74-I77 WeakPolarHBondContact O-CG1 3.42Å; T74-L82 HydrophobicContact CG2-CD1 4.12Å; T74-L82 HydrophobicContact CG2-CD2 4.47Å; T74-N101 PolarHBondContact N-OD1 2.88Å; T74-N101 VanDerWaalsContact OG1-CG 3.25Å; T74-N101 PolarHBondContact OG1-OD1 3.17Å; T74-Y103 PolarHBondContact OG1-OH 2.9Å | ||
| 75 | G | 81.7 | Confident | 89.1 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 20.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y73 | Y73-G75 VanDerWaalsContact C-N 3.34Å; Y73-G75 VanDerWaalsContact CE1-CA 3.46Å |
| 76 | G | 84.7 | Confident | 89.2 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 26.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T74 Y103 | T74-G76 PolarHBondContact O-N 2.91Å; G76-Y103 WeakPolarHBondContact CA-OH 3.49Å; G76-Y103 PolarHBondContact N-OH 3.29Å |
| 77 | I | 87.7 | Confident | 89.2 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 33% | 0.328 | 34% | 0.344 | S | S | . | . | trans | -61.9 | 130.7 | 173.8 | -67.2 | 163 | 0 | 0 | 0 | 108.7 | T74 I81 L82 Y103 | T74-I77 WeakPolarHBondContact O-CD1 3.34Å; T74-I77 WeakPolarHBondContact O-CG1 3.42Å; I77-I81 HydrophobicContact CG2-CB 3.95Å; I77-I81 HydrophobicContact CG2-CD1 4.29Å; I77-I81 HydrophobicContact CG2-CG2 4.19Å; I77-L82 HydrophobicContact CB-CD1 4.09Å; I77-L82 HydrophobicContact CB-CG 4.25Å; I77-L82 HydrophobicContact CG2-CD1 4.22Å; I77-L82 HydrophobicContact CG2-CD2 4.22Å; I77-L82 HydrophobicContact CG2-CG 3.84Å; I77-Y103 PolarHBondContact N-OH 2.83Å; I77-Y103 WeakPolarHBondContact O-CE2 3.38Å; I77-Y103 PolarHBondContact O-OH 3.38Å | ||
| 78 | P | 90 | Very high | 89.2 | Confident | 80 Ų | 80 | 61.1 Ų | 61.1 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | trans | -53.2 | 142.6 | 176.9 | -27.2 | 34.6 | 0 | 0 | 0 | 112.8 | D80 I81 | P78-D80 PolarHBondContact O-N 2.93Å; P78-D80 VanDerWaalsContact O-N 3.17Å; P78-I81 PolarHBondContact O-N 3.34Å | ||
| 79 | F | 90.5 | Very high | 89.3 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.5 | -38.3 | -176.5 | 179.7 | -100.3 | 0 | 0 | 0 | 112.9 | I81 L82 Q83 L86 L104 D107 T108 F110 I111 | F79-I81 PolarHBondContact O-N 3.39Å; F79-I81 VanDerWaalsContact O-N 3.09Å; F79-L82 CarbonylContact O-C 3.35Å; F79-L82 PolarHBondContact O-N 2.81Å; F79-Q83 HydrophobicContact CD1-CB 4.22Å; F79-Q83 HydrophobicContact CE1-CB 3.8Å; F79-Q83 HydrophobicContact CE1-CG 3.73Å; F79-Q83 HydrophobicContact CZ-CB 4.11Å; F79-Q83 HydrophobicContact CZ-CG 4.03Å; F79-Q83 WeakPolarHBondContact O-CB 3.33Å; F79-Q83 PolarHBondContact O-N 3.34Å; F79-L86 HydrophobicContact CD2-CD1 4.2Å; F79-L86 HydrophobicContact CE2-CD1 3.78Å; F79-L104 HydrophobicContact CD2-CD2 4.08Å; F79-D107 HydrophobicContact CB-CB 4.17Å; F79-D107 WeakPolarHBondContact CB-OD2 3.5Å; F79-D107 HydrophobicContact CD1-CB 3.95Å; F79-D107 HydrophobicContact CD2-CB 3.44Å; F79-D107 VanDerWaalsContact CD2-CB 3.44Å; F79-D107 HydrophobicContact CE1-CB 4.2Å; F79-D107 HydrophobicContact CE2-CB 3.72Å; F79-D107 HydrophobicContact CG-CB 3.57Å; F79-D107 HydrophobicContact CZ-CB 4.1Å; F79-T108 HydrophobicContact CE2-CG2 4.25Å; F79-F110 AromaticContact CE1-CE1 3.52Å; F79-F110 HydrophobicContact CE1-CE1 3.52Å; F79-F110 AromaticContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE2-CE1 4.49Å; F79-F110 AromaticContact CZ-CE1 3.34Å; F79-F110 HydrophobicContact CZ-CE1 3.34Å; F79-F110 AromaticContact CZ-CZ 3.47Å; F79-F110 HydrophobicContact CZ-CZ 3.47Å; F79-F110 VanDerWaalsContact CZ-CZ 3.47Å; F79-I111 HydrophobicContact CE2-CD1 4.47Å; F79-I111 HydrophobicContact CZ-CD1 4.27Å |
| 80 | D | 91.3 | Very high | 89.5 | Confident | 125 Ų | 125 | 58.8 Ų | 58.8 | 67% | 0.668 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.3 | -35.9 | -178.2 | -60.3 | -36.8 | 0 | 0 | 0 | 113.9 | P78 | P78-D80 PolarHBondContact O-N 2.93Å; P78-D80 VanDerWaalsContact O-N 3.17Å |
| 81 | I | 91.2 | Very high | 89.7 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.6 | -35.8 | -179.5 | -60.1 | 173.4 | 0 | 0 | 0 | 110.6 | F57 I77 P78 F79 P84 | F57-I81 HydrophobicContact CE2-CG2 4.39Å; I77-I81 HydrophobicContact CG2-CB 3.95Å; I77-I81 HydrophobicContact CG2-CD1 4.29Å; I77-I81 HydrophobicContact CG2-CG2 4.19Å; P78-I81 PolarHBondContact O-N 3.34Å; F79-I81 PolarHBondContact O-N 3.39Å; F79-I81 VanDerWaalsContact O-N 3.09Å; I81-P84 WeakPolarHBondContact O-CD 3.46Å |
| 82 | L | 91.2 | Very high | 90 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -83.3 | -24 | -179 | -66.1 | 178.5 | 0 | 0 | 0 | 112.9 | T74 I77 F79 P84 I85 L86 L104 | T74-L82 HydrophobicContact CG2-CD1 4.12Å; T74-L82 HydrophobicContact CG2-CD2 4.47Å; I77-L82 HydrophobicContact CB-CD1 4.09Å; I77-L82 HydrophobicContact CB-CG 4.25Å; I77-L82 HydrophobicContact CG2-CD1 4.22Å; I77-L82 HydrophobicContact CG2-CD2 4.22Å; I77-L82 HydrophobicContact CG2-CG 3.84Å; F79-L82 CarbonylContact O-C 3.35Å; F79-L82 PolarHBondContact O-N 2.81Å; L82-P84 VanDerWaalsContact C-CD 3.5Å; L82-I85 HydrophobicContact CD2-CD1 4.09Å; L82-I85 WeakPolarHBondContact O-CA 3.41Å; L82-I85 VanDerWaalsContact O-CB 3.31Å; L82-I85 WeakPolarHBondContact O-CB 3.47Å; L82-I85 PolarHBondContact O-N 2.96Å; L82-L86 HydrophobicContact CB-CD1 4.13Å; L82-L86 HydrophobicContact CB-CG 4.32Å; L82-L86 PolarHBondContact O-N 2.85Å; L82-L104 HydrophobicContact CD1-CD1 4.19Å; L82-L104 HydrophobicContact CD1-CD2 4.15Å |
| 83 | Q | 92.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 58.1 Ų | 58.1 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -45 | -51.1 | -178.6 | -175.5 | -177.8 | 9.4 | 0 | 0 | 113.9 | F79 I85 L86 L87 F110 | F79-Q83 HydrophobicContact CD1-CB 4.22Å; F79-Q83 HydrophobicContact CE1-CB 3.8Å; F79-Q83 HydrophobicContact CE1-CG 3.73Å; F79-Q83 HydrophobicContact CZ-CB 4.11Å; F79-Q83 HydrophobicContact CZ-CG 4.03Å; F79-Q83 WeakPolarHBondContact O-CB 3.33Å; F79-Q83 PolarHBondContact O-N 3.34Å; Q83-I85 PolarHBondContact O-N 3.28Å; Q83-L86 PolarHBondContact O-N 3.21Å; Q83-L87 VanDerWaalsContact O-CB 3.32Å; Q83-L87 WeakPolarHBondContact O-CB 3.46Å; Q83-L87 PolarHBondContact O-N 3.5Å; Q83-F110 HydrophobicContact CG-CZ 4.18Å |
| 84 | P | 92.6 | Very high | 90.8 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 34% | 0.338 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64 | -27.7 | 179.4 | 24.5 | -35.3 | 0 | 0 | 0 | 113.5 | L61 I81 L82 | L61-P84 HydrophobicContact CD1-CG 4.12Å; L61-P84 HydrophobicContact CD2-CG 4.02Å; I81-P84 WeakPolarHBondContact O-CD 3.46Å; L82-P84 VanDerWaalsContact C-CD 3.5Å |
| 85 | I | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.4 | -50.8 | 178 | -53.7 | 167 | 0 | 0 | 0 | 109.3 | L61 L64 I68 L71 L82 Q83 L87 R88 A89 | L61-I85 HydrophobicContact CD2-CD1 3.81Å; L61-I85 HydrophobicContact CD2-CG1 3.77Å; L64-I85 HydrophobicContact CB-CD1 3.78Å; L64-I85 HydrophobicContact CB-CG1 4.32Å; L64-I85 HydrophobicContact CB-CG2 4.48Å; L64-I85 HydrophobicContact CD1-CD1 3.62Å; L64-I85 HydrophobicContact CG-CD1 4.35Å; I68-I85 HydrophobicContact CD1-CG2 4.43Å; I68-I85 HydrophobicContact CG1-CG2 4.06Å; L71-I85 HydrophobicContact CD1-CG2 3.74Å; L82-I85 HydrophobicContact CD2-CD1 4.09Å; L82-I85 WeakPolarHBondContact O-CA 3.41Å; L82-I85 VanDerWaalsContact O-CB 3.31Å; L82-I85 WeakPolarHBondContact O-CB 3.47Å; L82-I85 PolarHBondContact O-N 2.96Å; Q83-I85 PolarHBondContact O-N 3.28Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 2.85Å; I85-R88 PolarHBondContact O-N 2.74Å; I85-R88 VanDerWaalsContact O-N 3.12Å; I85-A89 PolarHBondContact O-N 3.1Å |
| 86 | L | 92.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -34.2 | -178 | -62.2 | 177.6 | 0 | 0 | 0 | 112.2 | F79 L82 Q83 R88 A89 L94 I97 L104 T108 I111 | F79-L86 HydrophobicContact CD2-CD1 4.2Å; F79-L86 HydrophobicContact CE2-CD1 3.78Å; L82-L86 HydrophobicContact CB-CD1 4.13Å; L82-L86 HydrophobicContact CB-CG 4.32Å; L82-L86 PolarHBondContact O-N 2.85Å; Q83-L86 PolarHBondContact O-N 3.21Å; L86-R88 PolarHBondContact O-N 3.25Å; L86-A89 VanDerWaalsContact O-CB 3.29Å; L86-A89 WeakPolarHBondContact O-CB 3.34Å; L86-A89 PolarHBondContact O-N 2.83Å; L86-L94 HydrophobicContact CB-CD1 4.38Å; L86-L94 HydrophobicContact CD2-CD1 4.04Å; L86-I97 HydrophobicContact CD2-CD1 4.09Å; L86-I97 HydrophobicContact CD2-CG2 4.14Å; L86-L104 HydrophobicContact CD1-CD1 4.3Å; L86-T108 HydrophobicContact CD1-CG2 4.13Å; L86-I111 HydrophobicContact CB-CD1 3.64Å |
| 87 | L | 92.9 | Very high | 92 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.4 | 176.9 | -172.5 | 61.7 | 0 | 0 | 0 | 113.6 | Q83 I85 K114 | Q83-L87 VanDerWaalsContact O-CB 3.32Å; Q83-L87 WeakPolarHBondContact O-CB 3.46Å; Q83-L87 PolarHBondContact O-N 3.5Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 2.85Å; L87-K114 HydrophobicContact CD1-CD 3.83Å |
| 88 | R | 91.9 | Very high | 92.2 | Very high | 150 Ų | 150 | 46.6 Ų | 46.6 | 57% | 0.566 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -13 | 176.2 | -69.4 | -175.4 | 62.8 | -169.1 | -7.4 | 113 | C65 I85 L86 | C65-R88 VanDerWaalsContact CB-NH1 3.29Å; I85-R88 PolarHBondContact O-N 2.74Å; I85-R88 VanDerWaalsContact O-N 3.12Å; L86-R88 PolarHBondContact O-N 3.25Å |
| 89 | A | 92.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -64 | 150.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | I68 I85 L86 Q93 H115 | I68-A89 HydrophobicContact CD1-CB 4.23Å; I68-A89 HydrophobicContact CG2-CB 4.14Å; I85-A89 PolarHBondContact O-N 3.1Å; L86-A89 VanDerWaalsContact O-CB 3.29Å; L86-A89 WeakPolarHBondContact O-CB 3.34Å; L86-A89 PolarHBondContact O-N 2.83Å; A89-Q93 HydrophobicContact CB-CB 4.27Å; A89-H115 PolarHBondContact O-CE1 3.08Å |
| 90 | T | 93.5 | Very high | 92.2 | Very high | 69 Ų | 69 | 51.5 Ų | 51.5 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | trans | -77.7 | 157 | 166.6 | 63.4 | 0 | 0 | 0 | 0 | 110.1 | A92 Q93 L94 | T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 2.98Å; T90-Q93 WeakPolarHBondContact O-CB 3.28Å; T90-Q93 PolarHBondContact O-N 3.06Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.44Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.42Å; T90-Q93 PolarHBondContact OG1-N 3.46Å; T90-Q93 PolarHBondContact OG1-OE1 3.4Å; T90-L94 PolarHBondContact O-N 3.06Å | ||
| 91 | P | 93.2 | Very high | 92.2 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53 | -42.7 | 177.9 | -30.6 | 37.8 | 0 | 0 | 0 | 113.8 | Q93 L94 C95 W112 H115 Y137 | P91-Q93 VanDerWaalsContact C-N 3.34Å; P91-Q93 PolarHBondContact O-N 3.43Å; P91-L94 PolarHBondContact O-N 3.46Å; P91-C95 PolarHBondContact O-N 3.13Å; P91-C95 PolarHBondContact O-SG 3.08Å; P91-W112 HydrophobicContact CB-CH2 4.16Å; P91-W112 HydrophobicContact CB-CZ3 3.89Å; P91-W112 WeakPolarHBondContact O-CH2 3.49Å; P91-H115 HydrophobicContact CG-CB 4.23Å; P91-Y137 HydrophobicContact CB-CD1 4.48Å; P91-Y137 HydrophobicContact CB-CE1 3.59Å; P91-Y137 HydrophobicContact CB-CE2 4.33Å; P91-Y137 WeakPolarHBondContact CB-OH 3.41Å; P91-Y137 HydrophobicContact CG-CE1 4.3Å; P91-Y137 HydrophobicContact CG-CE2 4.19Å; P91-Y137 WeakPolarHBondContact CG-OH 3.23Å |
| 92 | A | 92.8 | Very high | 92.1 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T90 N96 | T90-A92 VanDerWaalsContact C-N 3.28Å; T90-A92 PolarHBondContact O-N 2.98Å; A92-N96 PolarHBondContact O-N 2.98Å |
| 93 | Q | 93.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 175.3 | -73.5 | 169.6 | -35.9 | 0 | 0 | 111.7 | I68 D69 A89 T90 P91 N96 I97 | I68-Q93 HydrophobicContact CG2-CB 4.09Å; I68-Q93 HydrophobicContact CG2-CG 4.46Å; D69-Q93 VanDerWaalsContact CG-NE2 3.34Å; D69-Q93 WeakPolarHBondContact OD1-CG 3.49Å; D69-Q93 PolarHBondContact OD1-NE2 3.26Å; D69-Q93 PolarHBondContact OD2-NE2 3.28Å; A89-Q93 HydrophobicContact CB-CB 4.27Å; T90-Q93 WeakPolarHBondContact O-CB 3.28Å; T90-Q93 PolarHBondContact O-N 3.06Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.44Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.42Å; T90-Q93 PolarHBondContact OG1-N 3.46Å; T90-Q93 PolarHBondContact OG1-OE1 3.4Å; P91-Q93 VanDerWaalsContact C-N 3.34Å; P91-Q93 PolarHBondContact O-N 3.43Å; Q93-N96 PolarHBondContact O-N 3.29Å; Q93-I97 WeakPolarHBondContact O-CG1 3.35Å; Q93-I97 PolarHBondContact O-N 2.95Å |
| 94 | L | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 178.6 | -169.3 | 60 | 0 | 0 | 0 | 111.1 | L86 T90 P91 N96 I97 E98 T108 I111 W112 | L86-L94 HydrophobicContact CB-CD1 4.38Å; L86-L94 HydrophobicContact CD2-CD1 4.04Å; T90-L94 PolarHBondContact O-N 3.06Å; P91-L94 PolarHBondContact O-N 3.46Å; L94-N96 VanDerWaalsContact C-N 3.3Å; L94-N96 PolarHBondContact O-N 3.14Å; L94-I97 PolarHBondContact O-N 2.92Å; L94-E98 WeakPolarHBondContact O-CB 3.28Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.97Å; L94-T108 HydrophobicContact CD1-CG2 4.04Å; L94-I111 HydrophobicContact CD2-CB 4.17Å; L94-I111 HydrophobicContact CD2-CG2 3.8Å; L94-W112 HydrophobicContact CB-CH2 4.35Å; L94-W112 HydrophobicContact CB-CZ2 4.01Å; L94-W112 HydrophobicContact CD2-CD2 4.12Å; L94-W112 HydrophobicContact CD2-CH2 4.36Å; L94-W112 HydrophobicContact CD2-CZ2 3.73Å; L94-W112 HydrophobicContact CG-CZ2 3.82Å |
| 95 | C | 91.9 | Very high | 91.9 | Very high | 39 Ų | 39 | 47 Ų | 47 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.3 | -44.5 | 172.8 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | P91 S99 W112 | P91-C95 PolarHBondContact O-N 3.13Å; P91-C95 PolarHBondContact O-SG 3.08Å; C95-S99 PolarHBondContact O-N 3.37Å; C95-S99 VanDerWaalsContact O-N 3.1Å; C95-W112 WeakPolarHBondContact SG-CH2 3.46Å |
| 96 | N | 92.3 | Very high | 91.7 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 179.9 | -171.4 | 54 | 0 | 0 | 0 | 111.3 | A92 Q93 L94 S99 Y100 | A92-N96 PolarHBondContact O-N 2.98Å; Q93-N96 PolarHBondContact O-N 3.29Å; L94-N96 VanDerWaalsContact C-N 3.3Å; L94-N96 PolarHBondContact O-N 3.14Å; N96-S99 WeakPolarHBondContact O-CB 3.4Å; N96-S99 PolarHBondContact O-N 2.67Å; N96-S99 PolarHBondContact O-OG 3.36Å; N96-Y100 WeakPolarHBondContact O-CD2 3.47Å; N96-Y100 PolarHBondContact O-N 2.9Å |
| 97 | I | 92 | Very high | 91.6 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 179 | -68.9 | 167.6 | 0 | 0 | 0 | 111.3 | I68 L71 L86 Q93 L94 S99 Y100 N101 L104 | I68-I97 HydrophobicContact CG2-CD1 3.57Å; L71-I97 HydrophobicContact CB-CD1 4.33Å; L71-I97 HydrophobicContact CB-CG1 4.46Å; L71-I97 HydrophobicContact CD1-CD1 4.43Å; L86-I97 HydrophobicContact CD2-CD1 4.09Å; L86-I97 HydrophobicContact CD2-CG2 4.14Å; Q93-I97 WeakPolarHBondContact O-CG1 3.35Å; Q93-I97 PolarHBondContact O-N 2.95Å; L94-I97 PolarHBondContact O-N 2.92Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.25Å; I97-Y100 PolarHBondContact O-N 2.89Å; I97-N101 WeakPolarHBondContact O-CB 3.45Å; I97-N101 PolarHBondContact O-N 3.23Å; I97-N101 PolarHBondContact O-ND2 2.77Å; I97-L104 HydrophobicContact CG2-CD1 4.19Å |
| 98 | E | 91.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 176.3 | -75.1 | 174 | 173.5 | 0 | 0 | 111.8 | L94 Y100 N101 I105 T108 W112 R134 | L94-E98 WeakPolarHBondContact O-CB 3.28Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.97Å; E98-Y100 PolarHBondContact O-N 3.44Å; E98-N101 CarbonylContact O-C 3.28Å; E98-N101 VanDerWaalsContact O-C 3.29Å; E98-N101 PolarHBondContact O-N 3.36Å; E98-N101 VanDerWaalsContact O-N 3.08Å; E98-I105 HydrophobicContact CB-CG1 4.29Å; E98-I105 HydrophobicContact CG-CG1 4.31Å; E98-T108 WeakPolarHBondContact OE1-CB 3.31Å; E98-T108 PolarHBondContact OE1-OG1 3.02Å; E98-W112 PolarHBondContact OE1-NE1 3.27Å; E98-R134 WeakPolarHBondContact OE2-CD 3.43Å; E98-R134 IonicContact OE2-CZ 2.89Å; E98-R134 IonicContact OE2-NE 3.8Å; E98-R134 PolarHBondContact OE2-NE 3.01Å; E98-R134 IonicContact OE2-NH2 3.23Å |
| 99 | S | 91.1 | Very high | 91.6 | Very high | 81 Ų | 81 | 51 Ų | 51 | 57% | 0.566 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.6 | -31.2 | 177.7 | 80.4 | 0 | 0 | 0 | 0 | 113.4 | C95 N96 I97 | C95-S99 PolarHBondContact O-N 3.37Å; C95-S99 VanDerWaalsContact O-N 3.1Å; N96-S99 WeakPolarHBondContact O-CB 3.4Å; N96-S99 PolarHBondContact O-N 2.67Å; N96-S99 PolarHBondContact O-OG 3.36Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.25Å |
| 100 | Y | 90.6 | Very high | 91.7 | Very high | 125 Ų | 125 | 55 Ų | 55 | 49% | 0.49 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -87.4 | -22.2 | 174.7 | -66.3 | -68.1 | 0 | 0 | 0 | 113.1 | Y73 N96 I97 E98 | Y73-Y100 WeakPolarHBondContact CD2-O 3.13Å; N96-Y100 WeakPolarHBondContact O-CD2 3.47Å; N96-Y100 PolarHBondContact O-N 2.9Å; I97-Y100 PolarHBondContact O-N 2.89Å; E98-Y100 PolarHBondContact O-N 3.44Å |
| 101 | N | 90.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -133.4 | 77.5 | -169.6 | -56.8 | -77.7 | 0 | 0 | 0 | 111.3 | G72 T74 I97 E98 Y103 L104 | G72-N101 PolarHBondContact O-ND2 3.48Å; T74-N101 PolarHBondContact N-OD1 2.88Å; T74-N101 VanDerWaalsContact OG1-CG 3.25Å; T74-N101 PolarHBondContact OG1-OD1 3.17Å; I97-N101 WeakPolarHBondContact O-CB 3.45Å; I97-N101 PolarHBondContact O-N 3.23Å; I97-N101 PolarHBondContact O-ND2 2.77Å; E98-N101 CarbonylContact O-C 3.28Å; E98-N101 VanDerWaalsContact O-C 3.29Å; E98-N101 PolarHBondContact O-N 3.36Å; E98-N101 VanDerWaalsContact O-N 3.08Å; N101-Y103 HydrophobicContact CB-CD1 4.15Å; N101-Y103 HydrophobicContact CB-CE1 3.7Å; N101-Y103 PolarHBondContact O-N 3.05Å; N101-Y103 VanDerWaalsContact O-N 3.12Å; N101-L104 HydrophobicContact CB-CD1 3.75Å; N101-L104 HydrophobicContact CB-CG 4.16Å; N101-L104 PolarHBondContact O-N 3.36Å | ||
| 102 | P | 89.6 | Confident | 91.8 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -60.6 | -26.3 | -175.2 | -25.8 | 35.2 | 0 | 0 | 0 | 114.6 | L104 I105 | P102-L104 PolarHBondContact O-N 3.24Å; P102-I105 HydrophobicContact CB-CD1 4.36Å; P102-I105 WeakPolarHBondContact O-CB 3.16Å; P102-I105 WeakPolarHBondContact O-CD1 3.04Å; P102-I105 WeakPolarHBondContact O-CG1 3.46Å; P102-I105 PolarHBondContact O-N 3.35Å |
| 103 | Y | 90.8 | Very high | 91.8 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -68.2 | -16.1 | -178.5 | 71.3 | -88.2 | 0 | 0 | 0 | 113.8 | T74 G76 I77 N101 | T74-Y103 PolarHBondContact OG1-OH 2.9Å; G76-Y103 WeakPolarHBondContact CA-OH 3.49Å; G76-Y103 PolarHBondContact N-OH 3.29Å; I77-Y103 PolarHBondContact N-OH 2.83Å; I77-Y103 WeakPolarHBondContact O-CE2 3.38Å; I77-Y103 PolarHBondContact O-OH 3.38Å; N101-Y103 HydrophobicContact CB-CD1 4.15Å; N101-Y103 HydrophobicContact CB-CE1 3.7Å; N101-Y103 PolarHBondContact O-N 3.05Å; N101-Y103 VanDerWaalsContact O-N 3.12Å |
| 104 | L | 90.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -83.9 | -15.7 | 179 | -64.2 | 174.7 | 0 | 0 | 0 | 112.9 | F79 L82 L86 I97 N101 P102 E106 D107 T108 | F79-L104 HydrophobicContact CD2-CD2 4.08Å; L82-L104 HydrophobicContact CD1-CD1 4.19Å; L82-L104 HydrophobicContact CD1-CD2 4.15Å; L86-L104 HydrophobicContact CD1-CD1 4.3Å; I97-L104 HydrophobicContact CG2-CD1 4.19Å; N101-L104 HydrophobicContact CB-CD1 3.75Å; N101-L104 HydrophobicContact CB-CG 4.16Å; N101-L104 PolarHBondContact O-N 3.36Å; P102-L104 PolarHBondContact O-N 3.24Å; L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 2.86Å; L104-D107 PolarHBondContact O-N 3.12Å; L104-D107 VanDerWaalsContact O-N 3.11Å; L104-T108 HydrophobicContact CB-CG2 4.26Å; L104-T108 WeakPolarHBondContact O-CG2 3.42Å; L104-T108 PolarHBondContact O-N 3.2Å; L104-T108 PolarHBondContact O-OG1 3.41Å |
| 105 | I | 89.3 | Confident | 91.9 | Very high | 74 Ų | 74 | 55.1 Ų | 55.1 | 38% | 0.379 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | -169.7 | -65.8 | 171 | 0 | 0 | 0 | 112.1 | E98 P102 T108 | E98-I105 HydrophobicContact CB-CG1 4.29Å; E98-I105 HydrophobicContact CG-CG1 4.31Å; P102-I105 HydrophobicContact CB-CD1 4.36Å; P102-I105 WeakPolarHBondContact O-CB 3.16Å; P102-I105 WeakPolarHBondContact O-CD1 3.04Å; P102-I105 WeakPolarHBondContact O-CG1 3.46Å; P102-I105 PolarHBondContact O-N 3.35Å; I105-T108 PolarHBondContact O-OG1 3.43Å |
| 106 | E | 87.8 | Confident | 92 | Very high | 178 Ų | 178 | 53.3 Ų | 53.3 | 83% | 0.832 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.3 | -36.2 | 179.9 | -62 | -175 | 174.1 | 0 | 0 | 111.9 | L104 | L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 2.86Å |
| 107 | D | 91.1 | Very high | 92 | Very high | 78 Ų | 78 | 54.7 Ų | 54.7 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -85.1 | -21.3 | -177.8 | -68.5 | -41.2 | 0 | 0 | 0 | 112.8 | F79 L104 D109 F110 | F79-D107 HydrophobicContact CB-CB 4.17Å; F79-D107 WeakPolarHBondContact CB-OD2 3.5Å; F79-D107 HydrophobicContact CD1-CB 3.95Å; F79-D107 HydrophobicContact CD2-CB 3.44Å; F79-D107 VanDerWaalsContact CD2-CB 3.44Å; F79-D107 HydrophobicContact CE1-CB 4.2Å; F79-D107 HydrophobicContact CE2-CB 3.72Å; F79-D107 HydrophobicContact CG-CB 3.57Å; F79-D107 HydrophobicContact CZ-CB 4.1Å; L104-D107 PolarHBondContact O-N 3.12Å; L104-D107 VanDerWaalsContact O-N 3.11Å; D107-D109 PolarHBondContact O-N 3.42Å; D107-F110 WeakPolarHBondContact O-CD1 3.28Å; D107-F110 WeakPolarHBondContact O-CE1 3.4Å |
| 108 | T | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -81.4 | -9.3 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 114.6 | F79 L86 L94 E98 L104 I105 F110 I111 W112 | F79-T108 HydrophobicContact CE2-CG2 4.25Å; L86-T108 HydrophobicContact CD1-CG2 4.13Å; L94-T108 HydrophobicContact CD1-CG2 4.04Å; E98-T108 WeakPolarHBondContact OE1-CB 3.31Å; E98-T108 PolarHBondContact OE1-OG1 3.02Å; L104-T108 HydrophobicContact CB-CG2 4.26Å; L104-T108 WeakPolarHBondContact O-CG2 3.42Å; L104-T108 PolarHBondContact O-N 3.2Å; L104-T108 PolarHBondContact O-OG1 3.41Å; I105-T108 PolarHBondContact O-OG1 3.43Å; T108-F110 VanDerWaalsContact C-N 3.28Å; T108-F110 PolarHBondContact O-N 3.1Å; T108-I111 HydrophobicContact CG2-CD1 4.28Å; T108-I111 WeakPolarHBondContact O-CA 3.34Å; T108-I111 VanDerWaalsContact O-CB 3.26Å; T108-I111 WeakPolarHBondContact O-CB 3.39Å; T108-I111 PolarHBondContact O-N 2.95Å; T108-W112 PolarHBondContact O-N 2.81Å; T108-W112 VanDerWaalsContact O-N 3.16Å |
| 109 | D | 92.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 65.4 Ų | 65.4 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.6 | -37.1 | -174.5 | -173.9 | 63.5 | 0 | 0 | 0 | 113.3 | D107 I111 W112 K113 Y133 | D107-D109 PolarHBondContact O-N 3.42Å; D109-I111 VanDerWaalsContact C-N 3.28Å; D109-I111 PolarHBondContact O-N 3.02Å; D109-W112 WeakPolarHBondContact O-CB 3.36Å; D109-W112 PolarHBondContact O-N 2.87Å; D109-K113 PolarHBondContact O-N 3.04Å; D109-Y133 WeakPolarHBondContact OD1-CB 3.44Å; D109-Y133 PolarHBondContact OD1-N 3.48Å; D109-Y133 WeakPolarHBondContact OD2-CD2 3.5Å |
| 110 | F | 92.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.9 | -26.3 | 175.7 | 76.5 | -94.7 | 0 | 0 | 0 | 113.4 | F79 Q83 D107 T108 K114 | F79-F110 AromaticContact CE1-CE1 3.52Å; F79-F110 HydrophobicContact CE1-CE1 3.52Å; F79-F110 AromaticContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE1-CZ 3.72Å; F79-F110 HydrophobicContact CE2-CE1 4.49Å; F79-F110 AromaticContact CZ-CE1 3.34Å; F79-F110 HydrophobicContact CZ-CE1 3.34Å; F79-F110 AromaticContact CZ-CZ 3.47Å; F79-F110 HydrophobicContact CZ-CZ 3.47Å; F79-F110 VanDerWaalsContact CZ-CZ 3.47Å; Q83-F110 HydrophobicContact CG-CZ 4.18Å; D107-F110 WeakPolarHBondContact O-CD1 3.28Å; D107-F110 WeakPolarHBondContact O-CE1 3.4Å; T108-F110 VanDerWaalsContact C-N 3.28Å; T108-F110 PolarHBondContact O-N 3.1Å; F110-K114 PolarHBondContact O-N 3.11Å |
| 111 | I | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.1 | -42.6 | 174.6 | -52.1 | 177.8 | 0 | 0 | 0 | 108.6 | F79 L86 L94 T108 D109 K113 K114 H115 | F79-I111 HydrophobicContact CE2-CD1 4.47Å; F79-I111 HydrophobicContact CZ-CD1 4.27Å; L86-I111 HydrophobicContact CB-CD1 3.64Å; L94-I111 HydrophobicContact CD2-CB 4.17Å; L94-I111 HydrophobicContact CD2-CG2 3.8Å; T108-I111 HydrophobicContact CG2-CD1 4.28Å; T108-I111 WeakPolarHBondContact O-CA 3.34Å; T108-I111 VanDerWaalsContact O-CB 3.26Å; T108-I111 WeakPolarHBondContact O-CB 3.39Å; T108-I111 PolarHBondContact O-N 2.95Å; D109-I111 VanDerWaalsContact C-N 3.28Å; D109-I111 PolarHBondContact O-N 3.02Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.28Å; I111-K114 WeakPolarHBondContact O-CB 3.5Å; I111-K114 PolarHBondContact O-N 3.5Å; I111-K114 VanDerWaalsContact O-N 3.11Å; I111-H115 PolarHBondContact O-CD2 3.03Å; I111-H115 PolarHBondContact O-N 3.11Å |
| 112 | W | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 172.8 | -73.1 | 112 | 0 | 0 | 0 | 112.4 | P91 L94 C95 E98 T108 D109 K114 H115 C116 R134 Y137 | P91-W112 HydrophobicContact CB-CH2 4.16Å; P91-W112 HydrophobicContact CB-CZ3 3.89Å; P91-W112 WeakPolarHBondContact O-CH2 3.49Å; L94-W112 HydrophobicContact CB-CH2 4.35Å; L94-W112 HydrophobicContact CB-CZ2 4.01Å; L94-W112 HydrophobicContact CD2-CD2 4.12Å; L94-W112 HydrophobicContact CD2-CH2 4.36Å; L94-W112 HydrophobicContact CD2-CZ2 3.73Å; L94-W112 HydrophobicContact CG-CZ2 3.82Å; C95-W112 WeakPolarHBondContact SG-CH2 3.46Å; E98-W112 PolarHBondContact OE1-NE1 3.27Å; T108-W112 PolarHBondContact O-N 2.81Å; T108-W112 VanDerWaalsContact O-N 3.16Å; D109-W112 WeakPolarHBondContact O-CB 3.36Å; D109-W112 PolarHBondContact O-N 2.87Å; W112-K114 VanDerWaalsContact C-N 3.3Å; W112-K114 PolarHBondContact O-N 2.79Å; W112-H115 PolarHBondContact O-N 3.1Å; W112-H115 VanDerWaalsContact O-N 3.09Å; W112-C116 PolarHBondContact O-N 3.14Å; W112-C116 PolarHBondContact O-SG 3.49Å; W112-R134 HydrophobicContact CD2-CB 4.21Å; W112-R134 HydrophobicContact CD2-CG 4.28Å; W112-R134 HydrophobicContact CG-CB 3.95Å; W112-R134 HydrophobicContact CG-CG 4.46Å; W112-R134 HydrophobicContact CZ2-CG 4.31Å; W112-Y137 HydrophobicContact CE3-CD1 4.06Å; W112-Y137 HydrophobicContact CE3-CD2 4.3Å; W112-Y137 AromaticContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CH2-CD1 4.33Å; W112-Y137 AromaticContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD1 3.41Å; W112-Y137 VanDerWaalsContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD2 4.28Å; W112-Y137 AromaticContact CZ3-CE1 3.92Å; W112-Y137 HydrophobicContact CZ3-CE1 3.92Å; W112-Y137 AromaticContact CZ3-CG 3.62Å; W112-Y137 HydrophobicContact CZ3-CG 3.62Å |
| 113 | K | 93.5 | Very high | 91.9 | Very high | 91 Ų | 91 | 62.3 Ų | 62.3 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.8 | -43.7 | 172.3 | -179.8 | 171.7 | -170.7 | 165 | 0 | 112.7 | D109 I111 C116 N117 Y133 | D109-K113 PolarHBondContact O-N 3.04Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.28Å; K113-C116 PolarHBondContact O-N 3.24Å; K113-N117 WeakPolarHBondContact O-CB 3.39Å; K113-N117 VanDerWaalsContact O-CG 3.27Å; K113-N117 PolarHBondContact O-N 3.26Å; K113-N117 PolarHBondContact O-ND2 2.93Å; K113-Y133 HydrophobicContact CB-CD1 3.66Å; K113-Y133 HydrophobicContact CB-CD2 3.98Å; K113-Y133 HydrophobicContact CB-CE1 3.79Å; K113-Y133 HydrophobicContact CB-CE2 4.13Å; K113-Y133 HydrophobicContact CB-CG 3.74Å; K113-Y133 HydrophobicContact CD-CE1 3.93Å; K113-Y133 HydrophobicContact CD-CE2 3.9Å; K113-Y133 VanDerWaalsContact CE-OH 3.28Å; K113-Y133 WeakPolarHBondContact CE-OH 3.38Å; K113-Y133 HydrophobicContact CG-CD1 3.92Å; K113-Y133 HydrophobicContact CG-CE1 3.51Å; K113-Y133 HydrophobicContact CG-CE2 4.21Å; K113-Y133 HydrophobicContact CG-CG 4.4Å; K113-Y133 PolarHBondContact NZ-OH 2.87Å |
| 114 | K | 93.6 | Very high | 91.8 | Very high | 103 Ų | 103 | 65.9 Ų | 65.9 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 176.8 | -175.8 | -175.5 | 176.4 | -171.6 | 0 | 111.9 | L87 F110 I111 W112 R118 | L87-K114 HydrophobicContact CD1-CD 3.83Å; F110-K114 PolarHBondContact O-N 3.11Å; I111-K114 WeakPolarHBondContact O-CB 3.5Å; I111-K114 PolarHBondContact O-N 3.5Å; I111-K114 VanDerWaalsContact O-N 3.11Å; W112-K114 VanDerWaalsContact C-N 3.3Å; W112-K114 PolarHBondContact O-N 2.79Å; K114-R118 PolarHBondContact O-N 3.04Å |
| 115 | H | 94.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.019 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 175.9 | -71.3 | -60.8 | 0 | 0 | 0 | 112.3 | A89 P91 I111 W112 R118 E119 Y137 | A89-H115 PolarHBondContact O-CE1 3.08Å; P91-H115 HydrophobicContact CG-CB 4.23Å; I111-H115 PolarHBondContact O-CD2 3.03Å; I111-H115 PolarHBondContact O-N 3.11Å; W112-H115 PolarHBondContact O-N 3.1Å; W112-H115 VanDerWaalsContact O-N 3.09Å; H115-R118 PolarHBondContact ND1-NH1 3.19Å; H115-R118 PolarHBondContact ND1-NH2 3.25Å; H115-R118 VanDerWaalsContact ND1-NH2 3.17Å; H115-R118 PolarHBondContact O-N 3.47Å; H115-E119 PolarHBondContact O-N 3.29Å; H115-Y137 HydrophobicContact CB-CD2 4.23Å; H115-Y137 HydrophobicContact CB-CE2 4.13Å |
| 116 | C | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 111.2 | W112 K113 R118 E119 F120 Y133 L136 | W112-C116 PolarHBondContact O-N 3.14Å; W112-C116 PolarHBondContact O-SG 3.49Å; K113-C116 PolarHBondContact O-N 3.24Å; C116-R118 PolarHBondContact O-N 2.91Å; C116-R118 VanDerWaalsContact O-N 3.15Å; C116-E119 PolarHBondContact O-N 3.45Å; C116-F120 CarbonylContact O-C 3.53Å; C116-F120 WeakPolarHBondContact O-CA 3.48Å; C116-F120 PolarHBondContact O-N 2.78Å; C116-F120 VanDerWaalsContact O-O 3.1Å; C116-Y133 HydrophobicContact CB-CD1 4.46Å; C116-Y133 PolarHBondContact SG-O 3.25Å; C116-L136 HydrophobicContact CB-CD2 4.24Å |
| 117 | N | 93.2 | Very high | 92 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -27.8 | 178.4 | -72.9 | -25.1 | 0 | 0 | 0 | 113.6 | K113 | K113-N117 WeakPolarHBondContact O-CB 3.39Å; K113-N117 VanDerWaalsContact O-CG 3.27Å; K113-N117 PolarHBondContact O-N 3.26Å; K113-N117 PolarHBondContact O-ND2 2.93Å |
| 118 | R | 93.1 | Very high | 91.8 | Very high | 143 Ų | 143 | 69.4 Ų | 69.4 | 54% | 0.54 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -81.6 | -43.9 | 179.3 | -172.7 | -178.8 | 70 | -147.3 | 0.1 | 112.8 | K114 H115 C116 | K114-R118 PolarHBondContact O-N 3.04Å; H115-R118 PolarHBondContact ND1-NH1 3.19Å; H115-R118 PolarHBondContact ND1-NH2 3.25Å; H115-R118 VanDerWaalsContact ND1-NH2 3.17Å; H115-R118 PolarHBondContact O-N 3.47Å; C116-R118 PolarHBondContact O-N 2.91Å; C116-R118 VanDerWaalsContact O-N 3.15Å |
| 119 | E | 93 | Very high | 91.7 | Very high | 90 Ų | 90 | 73 Ų | 73 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -91.6 | -33.1 | -174.1 | -58.1 | -66.7 | 143.7 | 0 | 0 | 112.6 | H115 C116 Y137 | H115-E119 PolarHBondContact O-N 3.29Å; C116-E119 PolarHBondContact O-N 3.45Å; E119-Y137 HydrophobicContact CB-CE2 4.49Å; E119-Y137 HydrophobicContact CG-CE2 4.13Å |
| 120 | F | 91.6 | Very high | 91.6 | Very high | 35 Ų | 35 | 73.4 Ų | 73.4 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -129.6 | 84.1 | -171.1 | -51 | -63.1 | 0 | 0 | 0 | 110.6 | C116 G122 A123 Y137 K140 | C116-F120 CarbonylContact O-C 3.53Å; C116-F120 WeakPolarHBondContact O-CA 3.48Å; C116-F120 PolarHBondContact O-N 2.78Å; C116-F120 VanDerWaalsContact O-O 3.1Å; F120-G122 PolarHBondContact O-N 3.35Å; F120-A123 HydrophobicContact CB-CB 3.74Å; F120-A123 PolarHBondContact O-N 3.01Å; F120-Y137 HydrophobicContact CD2-CD2 4.3Å; F120-Y137 AromaticContact CE2-CD2 3.79Å; F120-Y137 HydrophobicContact CE2-CD2 3.79Å; F120-Y137 AromaticContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CG 4.47Å; F120-K140 HydrophobicContact CD1-CB 3.96Å; F120-K140 HydrophobicContact CD1-CG 4.47Å; F120-K140 HydrophobicContact CD2-CB 3.67Å; F120-K140 HydrophobicContact CD2-CG 4.19Å; F120-K140 HydrophobicContact CE1-CB 3.76Å; F120-K140 HydrophobicContact CE2-CB 3.45Å; F120-K140 VanDerWaalsContact CE2-CB 3.45Å; F120-K140 HydrophobicContact CE2-CG 4.45Å; F120-K140 HydrophobicContact CG-CB 3.92Å; F120-K140 HydrophobicContact CG-CG 4.21Å; F120-K140 HydrophobicContact CZ-CB 3.5Å |
| 121 | A | 88.4 | Confident | 91.5 | Very high | 101 Ų | 101 | 70.9 Ų | 70.9 | 84% | 0.835 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 124.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A123 | A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.15Å |
| 122 | G | 87.4 | Confident | 91.4 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 11.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F120 | F120-G122 PolarHBondContact O-N 3.35Š|
| 123 | A | 89.2 | Confident | 91.3 | Very high | 15 Ų | 15 | 75.8 Ų | 75.8 | 12% | 0.124 | 43% | 0.432 | C | S | . | . | trans | -81.4 | 125.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F120 A121 L136 | F120-A123 HydrophobicContact CB-CB 3.74Å; F120-A123 PolarHBondContact O-N 3.01Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.15Å; A123-L136 HydrophobicContact CB-CD1 4.32Å; A123-L136 HydrophobicContact CB-CD2 4.25Å | ||
| 124 | E | 89.5 | Confident | 91.3 | Very high | 159 Ų | 159 | 74.1 Ų | 74.1 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | trans | -120.1 | 148 | 174.1 | -66.5 | -172.5 | 163.6 | 0 | 0 | 109.4 | L136 | E124-L136 WeakPolarHBondContact O-CD1 3.29Š| ||
| 125 | P | 91 | Very high | 91.3 | Very high | 18 Ų | 18 | 72 Ų | 72 | 12% | 0.117 | 42% | 0.417 | C | S | . | . | trans | -70.6 | 148.2 | 177.2 | 29.1 | -33 | 0 | 0 | 0 | 110.3 | I127 E131 Y133 L136 | P125-I127 PolarHBondContact O-N 2.95Å; P125-I127 VanDerWaalsContact O-N 3.08Å; P125-E131 HydrophobicContact CB-CB 4.35Å; P125-E131 HydrophobicContact CB-CG 4.5Å; P125-E131 WeakPolarHBondContact CB-O 3.36Å; P125-Y133 HydrophobicContact CG-CD1 4.32Å; P125-Y133 HydrophobicContact CG-CD2 4.34Å; P125-Y133 HydrophobicContact CG-CE1 4.1Å; P125-Y133 HydrophobicContact CG-CE2 4.11Å; P125-Y133 HydrophobicContact CG-CG 4.45Å; P125-L136 HydrophobicContact CB-CB 4.33Å; P125-L136 HydrophobicContact CB-CD2 4.44Å | ||
| 126 | D | 90.9 | Very high | 91.2 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | trans | -74.2 | 95.2 | 171.2 | -170.7 | -11.7 | 0 | 0 | 0 | 110.4 | D128 A129 G130 E131 | D126-D128 PolarHBondContact O-N 3.1Å; D126-D128 PolarHBondContact OD1-N 2.65Å; D126-D128 VanDerWaalsContact OD1-N 3.14Å; D126-A129 HydrophobicContact CB-CB 4Å; D126-A129 PolarHBondContact O-N 3.28Å; D126-A129 PolarHBondContact OD1-N 2.97Å; D126-G130 PolarHBondContact O-N 2.73Å; D126-E131 HydrophobicContact CB-CB 4.2Å; D126-E131 PolarHBondContact N-OE2 3.09Å; D126-E131 WeakPolarHBondContact O-CB 3.18Å; D126-E131 PolarHBondContact O-N 2.88Å | ||
| 127 | I | 89.6 | Confident | 91.3 | Very high | 144 Ų | 144 | 73.4 Ų | 73.4 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -33.9 | -179 | -55 | 173.4 | 0 | 0 | 0 | 110.8 | P125 A129 G130 | P125-I127 PolarHBondContact O-N 2.95Å; P125-I127 VanDerWaalsContact O-N 3.08Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 2.75Å; I127-G130 PolarHBondContact O-N 3.43Å; I127-G130 VanDerWaalsContact O-N 3.13Å |
| 128 | D | 88.5 | Confident | 91.3 | Very high | 165 Ų | 165 | 71.9 Ų | 71.9 | 88% | 0.882 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -30.9 | -178.5 | -65.2 | -50 | 0 | 0 | 0 | 111.6 | D126 G130 | D126-D128 PolarHBondContact O-N 3.1Å; D126-D128 PolarHBondContact OD1-N 2.65Å; D126-D128 VanDerWaalsContact OD1-N 3.14Å; D128-G130 VanDerWaalsContact C-N 3.33Å |
| 129 | A | 90.7 | Very high | 91.3 | Very high | 76 Ų | 76 | 69 Ų | 69 | 63% | 0.628 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D126 I127 E131 | D126-A129 HydrophobicContact CB-CB 4Å; D126-A129 PolarHBondContact O-N 3.28Å; D126-A129 PolarHBondContact OD1-N 2.97Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 2.75Å; A129-E131 VanDerWaalsContact C-N 3.34Å |
| 130 | G | 89.6 | Confident | 91.4 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 25.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D126 I127 D128 | D126-G130 PolarHBondContact O-N 2.73Å; I127-G130 PolarHBondContact O-N 3.43Å; I127-G130 VanDerWaalsContact O-N 3.13Å; D128-G130 VanDerWaalsContact C-N 3.33Å |
| 131 | E | 90.3 | Very high | 91.6 | Very high | 34 Ų | 34 | 67 Ų | 67 | 16% | 0.159 | 39% | 0.394 | C | S | . | . | trans | -70 | 129.5 | 177.9 | -165.8 | -179.8 | -149.4 | 0 | 0 | 110 | P125 D126 A129 D135 R139 | P125-E131 HydrophobicContact CB-CB 4.35Å; P125-E131 HydrophobicContact CB-CG 4.5Å; P125-E131 WeakPolarHBondContact CB-O 3.36Å; D126-E131 HydrophobicContact CB-CB 4.2Å; D126-E131 PolarHBondContact N-OE2 3.09Å; D126-E131 WeakPolarHBondContact O-CB 3.18Å; D126-E131 PolarHBondContact O-N 2.88Å; A129-E131 VanDerWaalsContact C-N 3.34Å; E131-D135 HydrophobicContact CG-CB 3.51Å; E131-R139 IonicContact OE1-CZ 2.88Å; E131-R139 IonicContact OE1-NE 2.95Å; E131-R139 PolarHBondContact OE1-NE 3Å; E131-R139 IonicContact OE1-NH2 3.53Å; E131-R139 PolarHBondContact OE1-NH2 3.46Å; E131-R139 IonicContact OE2-CZ 3.63Å; E131-R139 IonicContact OE2-NE 3.14Å; E131-R139 IonicContact OE2-NH2 2.92Å; E131-R139 PolarHBondContact OE2-NH2 3.35Å | ||
| 132 | T | 92.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | trans | -85.9 | 168.3 | 172.4 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | R134 D135 L136 | T132-R134 PolarHBondContact O-N 3.45Å; T132-D135 WeakPolarHBondContact CB-OD2 3.14Å; T132-D135 PolarHBondContact N-OD2 3.39Å; T132-D135 PolarHBondContact O-N 3.1Å; T132-D135 PolarHBondContact OG1-N 2.82Å; T132-D135 PolarHBondContact OG1-OD2 2.95Å; T132-L136 PolarHBondContact O-N 3.43Å | ||
| 133 | Y | 93.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 67.7 Ų | 67.7 | 17% | 0.169 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.6 | -25.2 | 174.3 | -76.5 | -87.9 | 0 | 0 | 0 | 112.1 | D109 K113 C116 P125 L136 Y137 | D109-Y133 WeakPolarHBondContact OD1-CB 3.44Å; D109-Y133 PolarHBondContact OD1-N 3.48Å; D109-Y133 WeakPolarHBondContact OD2-CD2 3.5Å; K113-Y133 HydrophobicContact CB-CD1 3.66Å; K113-Y133 HydrophobicContact CB-CD2 3.98Å; K113-Y133 HydrophobicContact CB-CE1 3.79Å; K113-Y133 HydrophobicContact CB-CE2 4.13Å; K113-Y133 HydrophobicContact CB-CG 3.74Å; K113-Y133 HydrophobicContact CD-CE1 3.93Å; K113-Y133 HydrophobicContact CD-CE2 3.9Å; K113-Y133 VanDerWaalsContact CE-OH 3.28Å; K113-Y133 WeakPolarHBondContact CE-OH 3.38Å; K113-Y133 HydrophobicContact CG-CD1 3.92Å; K113-Y133 HydrophobicContact CG-CE1 3.51Å; K113-Y133 HydrophobicContact CG-CE2 4.21Å; K113-Y133 HydrophobicContact CG-CG 4.4Å; K113-Y133 PolarHBondContact NZ-OH 2.87Å; C116-Y133 HydrophobicContact CB-CD1 4.46Å; C116-Y133 PolarHBondContact SG-O 3.25Å; P125-Y133 HydrophobicContact CG-CD1 4.32Å; P125-Y133 HydrophobicContact CG-CD2 4.34Å; P125-Y133 HydrophobicContact CG-CE1 4.1Å; P125-Y133 HydrophobicContact CG-CE2 4.11Å; P125-Y133 HydrophobicContact CG-CG 4.45Å; Y133-L136 HydrophobicContact CD1-CD2 4.22Å; Y133-Y137 WeakPolarHBondContact O-CB 3.49Å; Y133-Y137 PolarHBondContact O-N 3.38Å; Y133-Y137 VanDerWaalsContact O-N 3.09Å |
| 134 | R | 93 | Very high | 92.6 | Very high | 56 Ų | 56 | 72.9 Ų | 72.9 | 21% | 0.211 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -50.9 | 172.3 | -175.5 | -177.7 | -177.1 | -68.7 | -18.9 | 110.8 | E98 W112 T132 L136 Y137 E138 | E98-R134 WeakPolarHBondContact OE2-CD 3.43Å; E98-R134 IonicContact OE2-CZ 2.89Å; E98-R134 IonicContact OE2-NE 3.8Å; E98-R134 PolarHBondContact OE2-NE 3.01Å; E98-R134 IonicContact OE2-NH2 3.23Å; W112-R134 HydrophobicContact CD2-CB 4.21Å; W112-R134 HydrophobicContact CD2-CG 4.28Å; W112-R134 HydrophobicContact CG-CB 3.95Å; W112-R134 HydrophobicContact CG-CG 4.46Å; W112-R134 HydrophobicContact CZ2-CG 4.31Å; T132-R134 PolarHBondContact O-N 3.45Å; R134-L136 PolarHBondContact O-N 3.3Å; R134-Y137 WeakPolarHBondContact O-CB 3.49Å; R134-Y137 PolarHBondContact O-N 3.46Å; R134-Y137 VanDerWaalsContact O-N 3.15Å; R134-E138 IonicContact CZ-OE1 3.72Å; R134-E138 IonicContact NH1-OE1 3.22Å; R134-E138 PolarHBondContact NH1-OE1 3.38Å; R134-E138 IonicContact NH1-OE2 3.67Å; R134-E138 IonicContact NH2-OE1 2.75Å; R134-E138 PolarHBondContact NH2-OE1 2.92Å; R134-E138 PolarHBondContact O-N 3.33Å |
| 135 | D | 93.2 | Very high | 93 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | -179.9 | -55.4 | -43 | 0 | 0 | 0 | 111.5 | E131 T132 Y137 E138 R139 | E131-D135 HydrophobicContact CG-CB 3.51Å; T132-D135 WeakPolarHBondContact CB-OD2 3.14Å; T132-D135 PolarHBondContact N-OD2 3.39Å; T132-D135 PolarHBondContact O-N 3.1Å; T132-D135 PolarHBondContact OG1-N 2.82Å; T132-D135 PolarHBondContact OG1-OD2 2.95Å; D135-Y137 VanDerWaalsContact C-N 3.3Å; D135-Y137 PolarHBondContact O-N 3.44Å; D135-E138 PolarHBondContact O-N 3.39Å; D135-R139 WeakPolarHBondContact O-CB 3.31Å; D135-R139 PolarHBondContact O-N 3.27Å |
| 136 | L | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -55.5 | -45.7 | 173 | 175.1 | 68 | 0 | 0 | 0 | 111.6 | C116 A123 E124 P125 T132 Y133 R134 K140 | C116-L136 HydrophobicContact CB-CD2 4.24Å; A123-L136 HydrophobicContact CB-CD1 4.32Å; A123-L136 HydrophobicContact CB-CD2 4.25Å; E124-L136 WeakPolarHBondContact O-CD1 3.29Å; P125-L136 HydrophobicContact CB-CB 4.33Å; P125-L136 HydrophobicContact CB-CD2 4.44Å; T132-L136 PolarHBondContact O-N 3.43Å; Y133-L136 HydrophobicContact CD1-CD2 4.22Å; R134-L136 PolarHBondContact O-N 3.3Å; L136-K140 HydrophobicContact CD1-CG 4.15Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.28Å; L136-K140 PolarHBondContact O-N 3.49Å |
| 137 | Y | 94.6 | Very high | 93.6 | Very high | 33 Ų | 33 | 76.9 Ų | 76.9 | 13% | 0.129 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 179.7 | -171.9 | -88.6 | 0 | 0 | 0 | 111.5 | P91 W112 H115 E119 F120 Y133 R134 D135 K140 T141 | P91-Y137 HydrophobicContact CB-CD1 4.48Å; P91-Y137 HydrophobicContact CB-CE1 3.59Å; P91-Y137 HydrophobicContact CB-CE2 4.33Å; P91-Y137 WeakPolarHBondContact CB-OH 3.41Å; P91-Y137 HydrophobicContact CG-CE1 4.3Å; P91-Y137 HydrophobicContact CG-CE2 4.19Å; P91-Y137 WeakPolarHBondContact CG-OH 3.23Å; W112-Y137 HydrophobicContact CE3-CD1 4.06Å; W112-Y137 HydrophobicContact CE3-CD2 4.3Å; W112-Y137 AromaticContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CE3-CG 3.77Å; W112-Y137 HydrophobicContact CH2-CD1 4.33Å; W112-Y137 AromaticContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD1 3.41Å; W112-Y137 VanDerWaalsContact CZ3-CD1 3.41Å; W112-Y137 HydrophobicContact CZ3-CD2 4.28Å; W112-Y137 AromaticContact CZ3-CE1 3.92Å; W112-Y137 HydrophobicContact CZ3-CE1 3.92Å; W112-Y137 AromaticContact CZ3-CG 3.62Å; W112-Y137 HydrophobicContact CZ3-CG 3.62Å; H115-Y137 HydrophobicContact CB-CD2 4.23Å; H115-Y137 HydrophobicContact CB-CE2 4.13Å; E119-Y137 HydrophobicContact CB-CE2 4.49Å; E119-Y137 HydrophobicContact CG-CE2 4.13Å; F120-Y137 HydrophobicContact CD2-CD2 4.3Å; F120-Y137 AromaticContact CE2-CD2 3.79Å; F120-Y137 HydrophobicContact CE2-CD2 3.79Å; F120-Y137 AromaticContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CE2 3.81Å; F120-Y137 HydrophobicContact CE2-CG 4.47Å; Y133-Y137 WeakPolarHBondContact O-CB 3.49Å; Y133-Y137 PolarHBondContact O-N 3.38Å; Y133-Y137 VanDerWaalsContact O-N 3.09Å; R134-Y137 WeakPolarHBondContact O-CB 3.49Å; R134-Y137 PolarHBondContact O-N 3.46Å; R134-Y137 VanDerWaalsContact O-N 3.15Å; D135-Y137 VanDerWaalsContact C-N 3.3Å; D135-Y137 PolarHBondContact O-N 3.44Å; Y137-K140 PolarHBondContact O-N 3.05Å; Y137-T141 VanDerWaalsContact CE1-OG1 3.28Å; Y137-T141 WeakPolarHBondContact CE1-OG1 3.47Å; Y137-T141 VanDerWaalsContact O-CB 3.28Å; Y137-T141 WeakPolarHBondContact O-CB 3.46Å; Y137-T141 PolarHBondContact O-N 3.29Å; Y137-T141 PolarHBondContact O-OG1 2.93Å |
| 138 | E | 93.5 | Very high | 93.9 | Very high | 65 Ų | 65 | 74.5 Ų | 74.5 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.2 | -52.5 | 177.5 | -73.1 | -178.3 | 173.8 | 0 | 0 | 110.3 | R134 D135 K140 T141 E142 | R134-E138 IonicContact CZ-OE1 3.72Å; R134-E138 IonicContact NH1-OE1 3.22Å; R134-E138 PolarHBondContact NH1-OE1 3.38Å; R134-E138 IonicContact NH1-OE2 3.67Å; R134-E138 IonicContact NH2-OE1 2.75Å; R134-E138 PolarHBondContact NH2-OE1 2.92Å; R134-E138 PolarHBondContact O-N 3.33Å; D135-E138 PolarHBondContact O-N 3.39Å; E138-K140 PolarHBondContact O-N 3.31Å; E138-T141 PolarHBondContact O-N 3.06Å; E138-E142 WeakPolarHBondContact O-CG 3.41Å; E138-E142 PolarHBondContact O-N 3.35Å |
| 139 | R | 94.4 | Very high | 94.3 | Very high | 83 Ų | 83 | 74.8 Ų | 74.8 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 177.4 | 178.8 | 172.5 | 56.9 | 91.5 | -12.7 | 112.8 | E131 D135 T141 E142 E143 | E131-R139 IonicContact OE1-CZ 2.88Å; E131-R139 IonicContact OE1-NE 2.95Å; E131-R139 PolarHBondContact OE1-NE 3Å; E131-R139 IonicContact OE1-NH2 3.53Å; E131-R139 PolarHBondContact OE1-NH2 3.46Å; E131-R139 IonicContact OE2-CZ 3.63Å; E131-R139 IonicContact OE2-NE 3.14Å; E131-R139 IonicContact OE2-NH2 2.92Å; E131-R139 PolarHBondContact OE2-NH2 3.35Å; D135-R139 WeakPolarHBondContact O-CB 3.31Å; D135-R139 PolarHBondContact O-N 3.27Å; R139-T141 VanDerWaalsContact C-N 3.33Å; R139-T141 PolarHBondContact O-N 2.97Å; R139-E142 PolarHBondContact O-N 3.41Å; R139-E143 IonicContact NH1-OE1 3.46Å; R139-E143 PolarHBondContact NH1-OE1 3.44Å; R139-E143 WeakPolarHBondContact O-CG 3.33Å; R139-E143 PolarHBondContact O-N 3.26Å |
| 140 | K | 94.9 | Very high | 94.7 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 22% | 0.217 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.3 | -35 | 179.9 | -73.6 | -71.2 | 167.3 | -154.1 | 0 | 112.6 | F120 L136 Y137 E138 E143 R144 | F120-K140 HydrophobicContact CD1-CB 3.96Å; F120-K140 HydrophobicContact CD1-CG 4.47Å; F120-K140 HydrophobicContact CD2-CB 3.67Å; F120-K140 HydrophobicContact CD2-CG 4.19Å; F120-K140 HydrophobicContact CE1-CB 3.76Å; F120-K140 HydrophobicContact CE2-CB 3.45Å; F120-K140 VanDerWaalsContact CE2-CB 3.45Å; F120-K140 HydrophobicContact CE2-CG 4.45Å; F120-K140 HydrophobicContact CG-CB 3.92Å; F120-K140 HydrophobicContact CG-CG 4.21Å; F120-K140 HydrophobicContact CZ-CB 3.5Å; L136-K140 HydrophobicContact CD1-CG 4.15Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.28Å; L136-K140 PolarHBondContact O-N 3.49Å; Y137-K140 PolarHBondContact O-N 3.05Å; E138-K140 PolarHBondContact O-N 3.31Å; K140-E143 IonicContact NZ-OE1 3.06Å; K140-E143 IonicContact NZ-OE2 3.9Å; K140-E143 PolarHBondContact NZ-OE2 2.84Å; K140-R144 WeakPolarHBondContact O-CB 3.49Å; K140-R144 PolarHBondContact O-N 3.32Å |
| 141 | T | 94.9 | Very high | 95 | Very high | 31 Ų | 31 | 78 Ų | 78 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 175 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | Y137 E138 R139 R144 D145 | Y137-T141 VanDerWaalsContact CE1-OG1 3.28Å; Y137-T141 WeakPolarHBondContact CE1-OG1 3.47Å; Y137-T141 VanDerWaalsContact O-CB 3.28Å; Y137-T141 WeakPolarHBondContact O-CB 3.46Å; Y137-T141 PolarHBondContact O-N 3.29Å; Y137-T141 PolarHBondContact O-OG1 2.93Å; E138-T141 PolarHBondContact O-N 3.06Å; R139-T141 VanDerWaalsContact C-N 3.33Å; R139-T141 PolarHBondContact O-N 2.97Å; T141-R144 WeakPolarHBondContact O-CB 3.33Å; T141-R144 PolarHBondContact O-N 3.19Å; T141-D145 WeakPolarHBondContact O-CB 3.41Å; T141-D145 PolarHBondContact O-N 2.98Å |
| 142 | E | 95.7 | Very high | 95.4 | Very high | 136 Ų | 136 | 79.2 Ų | 79.2 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 174.7 | -72.4 | -176.6 | 177.6 | 0 | 0 | 112.6 | E138 R139 R144 D145 K146 | E138-E142 WeakPolarHBondContact O-CG 3.41Å; E138-E142 PolarHBondContact O-N 3.35Å; R139-E142 PolarHBondContact O-N 3.41Å; E142-R144 VanDerWaalsContact C-N 3.29Å; E142-R144 PolarHBondContact O-N 3.18Å; E142-D145 PolarHBondContact O-N 3.23Å; E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 PolarHBondContact O-N 3.14Å |
| 143 | E | 95.7 | Very high | 95.6 | Very high | 58 Ų | 58 | 78.7 Ų | 78.7 | 27% | 0.271 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56 | -44.9 | 173.5 | -77.4 | 175.1 | -160.1 | 0 | 0 | 111 | R139 K140 R147 | R139-E143 IonicContact NH1-OE1 3.46Å; R139-E143 PolarHBondContact NH1-OE1 3.44Å; R139-E143 WeakPolarHBondContact O-CG 3.33Å; R139-E143 PolarHBondContact O-N 3.26Å; K140-E143 IonicContact NZ-OE1 3.06Å; K140-E143 IonicContact NZ-OE2 3.9Å; K140-E143 PolarHBondContact NZ-OE2 2.84Å; E143-R147 VanDerWaalsContact O-CG 3.26Å; E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 2.93Å; E143-R147 IonicContact OE2-NH2 3.42Å |
| 144 | R | 95.7 | Very high | 95.7 | Very high | 124 Ų | 124 | 80 Ų | 80 | 47% | 0.468 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 178.7 | -170.1 | -168.5 | 78.2 | 146.9 | 3.3 | 111.7 | K140 T141 E142 K146 R147 L148 | K140-R144 WeakPolarHBondContact O-CB 3.49Å; K140-R144 PolarHBondContact O-N 3.32Å; T141-R144 WeakPolarHBondContact O-CB 3.33Å; T141-R144 PolarHBondContact O-N 3.19Å; E142-R144 VanDerWaalsContact C-N 3.29Å; E142-R144 PolarHBondContact O-N 3.18Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 3.43Å; R144-R147 PolarHBondContact O-N 3.33Å; R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 3.33Å |
| 145 | D | 96.4 | Very high | 95.7 | Very high | 50 Ų | 50 | 82.6 Ų | 82.6 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.8 | -35.9 | -178.4 | -75.9 | 3.1 | 0 | 0 | 0 | 111.4 | T141 E142 L148 R149 | T141-D145 WeakPolarHBondContact O-CB 3.41Å; T141-D145 PolarHBondContact O-N 2.98Å; E142-D145 PolarHBondContact O-N 3.23Å; D145-L148 PolarHBondContact O-N 3.01Å; D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 3.15Å |
| 146 | K | 97.3 | Very high | 95.7 | Very high | 130 Ų | 130 | 83.2 Ų | 83.2 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.2 | -49.2 | 171 | -176.1 | 178.5 | 178.1 | -179.2 | 0 | 111.3 | E142 R144 L148 R149 D150 | E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 PolarHBondContact O-N 3.14Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 3.43Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 2.84Å; K146-R149 PolarHBondContact O-N 3.09Å; K146-R149 VanDerWaalsContact O-N 3.12Å; K146-D150 VanDerWaalsContact O-CG 3.28Å; K146-D150 PolarHBondContact O-N 3.07Å |
| 147 | R | 97.1 | Very high | 95.7 | Very high | 159 Ų | 159 | 85.7 Ų | 85.7 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.1 | -41.1 | 175.1 | -72.3 | 171.7 | -170.1 | 168 | 8 | 112 | E143 R144 D150 L151 | E143-R147 VanDerWaalsContact O-CG 3.26Å; E143-R147 WeakPolarHBondContact O-CG 3.45Å; E143-R147 PolarHBondContact O-N 2.93Å; E143-R147 IonicContact OE2-NH2 3.42Å; R144-R147 PolarHBondContact O-N 3.33Å; R147-D150 PolarHBondContact O-N 3.17Å; R147-L151 WeakPolarHBondContact O-CB 3.5Å; R147-L151 VanDerWaalsContact O-CG 3.27Å; R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 3.5Å |
| 148 | L | 96.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 87 Ų | 87 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176 | -75.2 | 171.4 | 0 | 0 | 0 | 112.1 | R144 D145 K146 L151 A152 | R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 3.33Å; D145-L148 PolarHBondContact O-N 3.01Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-L148 PolarHBondContact O-N 2.84Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 3.17Å |
| 149 | R | 97.5 | Very high | 95.2 | Very high | 170 Ų | 170 | 87.1 Ų | 87.1 | 64% | 0.642 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 175.8 | -70.5 | 173.3 | -157 | 150.9 | 7.3 | 111.6 | D145 K146 A152 A153 | D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 3.15Å; K146-R149 PolarHBondContact O-N 3.09Å; K146-R149 VanDerWaalsContact O-N 3.12Å; R149-A152 PolarHBondContact O-N 3.28Å; R149-A153 WeakPolarHBondContact O-CB 3.5Å; R149-A153 PolarHBondContact O-N 3.25Å |
| 150 | D | 97.5 | Very high | 94.9 | Very high | 95 Ų | 95 | 87.2 Ų | 87.2 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 179.3 | -66.6 | -19.2 | 0 | 0 | 0 | 111.4 | K146 R147 A153 S154 | K146-D150 VanDerWaalsContact O-CG 3.28Å; K146-D150 PolarHBondContact O-N 3.07Å; R147-D150 PolarHBondContact O-N 3.17Å; D150-A153 PolarHBondContact O-N 3.26Å; D150-S154 WeakPolarHBondContact O-CB 3.46Å; D150-S154 PolarHBondContact O-N 3.26Å |
| 151 | L | 97.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 92.8 Ų | 92.8 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 174.3 | -73.9 | 171.7 | 0 | 0 | 0 | 112 | R147 L148 A153 S154 I155 | R147-L151 WeakPolarHBondContact O-CB 3.5Å; R147-L151 VanDerWaalsContact O-CG 3.27Å; R147-L151 WeakPolarHBondContact O-CG 3.36Å; R147-L151 PolarHBondContact O-N 3.5Å; L148-L151 PolarHBondContact O-N 3.16Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.19Å; L151-S154 PolarHBondContact O-N 3.3Å; L151-I155 VanDerWaalsContact O-CG1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.2Å; L151-I155 PolarHBondContact O-N 3.26Å |
| 152 | A | 97.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 97.4 Ų | 97.4 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L148 R149 S156 | L148-A152 WeakPolarHBondContact O-CB 3.41Å; L148-A152 PolarHBondContact O-N 3.17Å; R149-A152 PolarHBondContact O-N 3.28Å; A152-S156 WeakPolarHBondContact O-CB 3.48Å; A152-S156 PolarHBondContact O-N 3.44Å; A152-S156 PolarHBondContact O-OG 2.91Å |
| 153 | A | 96.8 | Very high | 92.3 | Very high | 51 Ų | 51 | 93.1 Ų | 93.1 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | R149 D150 L151 S156 A157 | R149-A153 WeakPolarHBondContact O-CB 3.5Å; R149-A153 PolarHBondContact O-N 3.25Å; D150-A153 PolarHBondContact O-N 3.26Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.19Å; A153-S156 WeakPolarHBondContact CA-OG 3.15Å; A153-S156 PolarHBondContact O-N 2.64Å; A153-S156 PolarHBondContact O-OG 3.05Å; A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.25Å |
| 154 | S | 95.8 | Very high | 91.1 | Very high | 69 Ų | 69 | 97.1 Ų | 97.1 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 176 | -175.1 | 0 | 0 | 0 | 0 | 112 | D150 L151 S158 | D150-S154 WeakPolarHBondContact O-CB 3.46Å; D150-S154 PolarHBondContact O-N 3.26Å; L151-S154 PolarHBondContact O-N 3.3Å; S154-S158 VanDerWaalsContact O-CB 3.28Å; S154-S158 WeakPolarHBondContact O-CB 3.19Å; S154-S158 PolarHBondContact O-N 2.78Å; S154-S158 PolarHBondContact O-OG 2.98Å |
| 155 | I | 93.7 | Very high | 89.6 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 57% | 0.569 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.3 | -47.6 | 176.7 | -68.2 | 165.4 | 0 | 0 | 0 | 109.9 | L151 A157 S158 S159 | L151-I155 VanDerWaalsContact O-CG1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.2Å; L151-I155 PolarHBondContact O-N 3.26Å; I155-A157 PolarHBondContact O-N 3.12Å; I155-S158 PolarHBondContact O-N 3.24Å; I155-S159 WeakPolarHBondContact O-CB 2.93Å; I155-S159 PolarHBondContact O-N 3.26Å; I155-S159 PolarHBondContact O-OG 2.93Å; I155-S159 VanDerWaalsContact O-OG 3.08Å |
| 156 | S | 93.8 | Very high | 88.2 | Confident | 72 Ų | 72 | 104.8 Ų | 104.8 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.9 | -40.7 | -179.9 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | A152 A153 S159 A160 | A152-S156 WeakPolarHBondContact O-CB 3.48Å; A152-S156 PolarHBondContact O-N 3.44Å; A152-S156 PolarHBondContact O-OG 2.91Å; A153-S156 WeakPolarHBondContact CA-OG 3.15Å; A153-S156 PolarHBondContact O-N 2.64Å; A153-S156 PolarHBondContact O-OG 3.05Å; S156-S159 PolarHBondContact O-N 3.4Å; S156-A160 WeakPolarHBondContact O-CB 3.26Å; S156-A160 PolarHBondContact O-N 2.91Å |
| 157 | A | 93.1 | Very high | 86.7 | Confident | 52 Ų | 52 | 106.1 Ų | 106.1 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.1 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | A153 I155 S159 A160 M161 | A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 3.25Å; I155-A157 PolarHBondContact O-N 3.12Å; A157-S159 PolarHBondContact O-N 3.26Å; A157-A160 PolarHBondContact O-N 3.03Å; A157-M161 WeakPolarHBondContact O-CG 3.42Å; A157-M161 PolarHBondContact O-N 3.19Å |
| 158 | S | 90.8 | Very high | 85.3 | Confident | 59 Ų | 59 | 103.4 Ų | 103.4 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.2 | -41.8 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 112 | S154 I155 A160 M161 Q162 | S154-S158 VanDerWaalsContact O-CB 3.28Å; S154-S158 WeakPolarHBondContact O-CB 3.19Å; S154-S158 PolarHBondContact O-N 2.78Å; S154-S158 PolarHBondContact O-OG 2.98Å; I155-S158 PolarHBondContact O-N 3.24Å; S158-A160 VanDerWaalsContact C-N 3.34Å; S158-M161 PolarHBondContact O-N 3.19Å; S158-Q162 VanDerWaalsContact O-CG 3.3Å; S158-Q162 WeakPolarHBondContact O-CG 3Å; S158-Q162 PolarHBondContact O-N 3.08Å |
| 159 | S | 87.8 | Confident | 84 | Confident | 69 Ų | 69 | 108 Ų | 108 | 48% | 0.483 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.8 | -32.5 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | I155 S156 A157 | I155-S159 WeakPolarHBondContact O-CB 2.93Å; I155-S159 PolarHBondContact O-N 3.26Å; I155-S159 PolarHBondContact O-OG 2.93Å; I155-S159 VanDerWaalsContact O-OG 3.08Å; S156-S159 PolarHBondContact O-N 3.4Å; A157-S159 PolarHBondContact O-N 3.26Å |
| 160 | A | 87 | Confident | 82.6 | Confident | 85 Ų | 85 | 108.2 Ų | 108.2 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.2 | -34.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S156 A157 S158 | S156-A160 WeakPolarHBondContact O-CB 3.26Å; S156-A160 PolarHBondContact O-N 2.91Å; A157-A160 PolarHBondContact O-N 3.03Å; S158-A160 VanDerWaalsContact C-N 3.34Å |
| 161 | M | 84.2 | Confident | 81.2 | Confident | 167 Ų | 167 | 107.7 Ų | 107.7 | 82% | 0.823 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.7 | -26 | 175.6 | -69.8 | -174.6 | 77.1 | 0 | 0 | 113.1 | A157 S158 G163 | A157-M161 WeakPolarHBondContact O-CG 3.42Å; A157-M161 PolarHBondContact O-N 3.19Å; S158-M161 PolarHBondContact O-N 3.19Å; M161-G163 PolarHBondContact O-N 3.23Å |
| 162 | Q | 74.3 | Confident | 79.6 | Confident | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -66.7 | 83.9 | 167.5 | -74.8 | 178 | -4.2 | 0 | 0 | 108.7 | S158 V165 | S158-Q162 VanDerWaalsContact O-CG 3.3Å; S158-Q162 WeakPolarHBondContact O-CG 3Å; S158-Q162 PolarHBondContact O-N 3.08Å; Q162-V165 HydrophobicContact CB-CG2 4.03Å |
| 163 | G | 72 | Confident | 78.3 | Confident | 46 Ų | 46 | 112.3 Ų | 112.3 | 47% | 0.474 | 67% | 0.67 | S | S | . | * | trans | -49.6 | 163.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | M161 V165 | M161-G163 PolarHBondContact O-N 3.23Å; G163-V165 VanDerWaalsContact C-N 3.33Å; G163-V165 WeakPolarHBondContact O-CG2 3.42Å; G163-V165 PolarHBondContact O-N 2.96Å | ||
| 164 | P | 71.1 | Confident | 77.1 | Confident | 141 Ų | 141 | 117.9 Ų | 117.9 | 92% | 0.916 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -48.3 | 92.1 | -160.9 | 21.4 | -34.3 | 0 | 0 | 0 | 112.5 | R166 | P164-R166 PolarHBondContact O-N 3.35Š|
| 165 | V | 64.1 | Low | 76 | Confident | 87 Ų | 87 | 116.2 Ų | 116.2 | 53% | 0.527 | 68% | 0.675 | S | S | . | * | trans | -66.4 | 138.4 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 104.9 | Q162 G163 M167 | Q162-V165 HydrophobicContact CB-CG2 4.03Å; G163-V165 VanDerWaalsContact C-N 3.33Å; G163-V165 WeakPolarHBondContact O-CG2 3.42Å; G163-V165 PolarHBondContact O-N 2.96Å; V165-M167 PolarHBondContact O-N 3.23Å | ||
| 166 | R | 66.5 | Low | 75.3 | Confident | 248 Ų | 248 | 115.1 Ų | 115.1 | 94% | 0.936 | 68% | 0.675 | S | S | * | * | trans | -61.2 | 87.1 | 172.8 | -76.3 | -178.8 | 162.9 | -177.8 | -3.5 | 108.7 | P164 A168 | P164-R166 PolarHBondContact O-N 3.35Å; R166-A168 PolarHBondContact O-N 3.48Å | ||
| 167 | M | 66.8 | Low | 74.7 | Confident | 158 Ų | 158 | 119.9 Ų | 119.9 | 78% | 0.778 | 68% | 0.682 | S | S | * | * | trans | -63.6 | 119.9 | 169.8 | -64.8 | -65.3 | -99.3 | 0 | 0 | 106.4 | V165 K169 | V165-M167 PolarHBondContact O-N 3.23Å; M167-K169 PolarHBondContact O-N 3.19Å | ||
| 168 | A | 67.1 | Low | 74.2 | Confident | 103 Ų | 103 | 122.1 Ų | 122.1 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | trans | -64.7 | 93 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107 | R166 L170 | R166-A168 PolarHBondContact O-N 3.48Å; A168-L170 PolarHBondContact O-N 2.84Å | ||
| 169 | K | 69.5 | Low | 73.6 | Confident | 191 Ų | 191 | 122.3 Ų | 122.3 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | trans | -62.6 | 122.1 | 167.6 | -68.9 | -170.6 | 177.7 | -176.3 | 0 | 106.2 | M167 A171 | M167-K169 PolarHBondContact O-N 3.19Å; K169-A171 VanDerWaalsContact C-N 3.28Å; K169-A171 PolarHBondContact O-N 3.5Å | ||
| 170 | L | 68.7 | Low | 73.1 | Confident | 174 Ų | 174 | 121.1 Ų | 121.1 | 91% | 0.911 | 67% | 0.67 | S | S | * | * | trans | -59.9 | 99.8 | 166.2 | -165.6 | 78.3 | 0 | 0 | 0 | 106.2 | A168 | A168-L170 PolarHBondContact O-N 2.84Š| ||
| 171 | A | 67.4 | Low | 72.8 | Confident | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | trans | -75.2 | 133.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | K169 A173 | K169-A171 VanDerWaalsContact C-N 3.28Å; K169-A171 PolarHBondContact O-N 3.5Å; A171-A173 PolarHBondContact O-N 2.92Å | ||
| 172 | D | 65 | Low | 72.8 | Confident | 157 Ų | 157 | 120.8 Ų | 120.8 | 84% | 0.84 | 64% | 0.644 | S | S | * | * | trans | -51.9 | 130.3 | 168.5 | -72.9 | -36.5 | 0 | 0 | 0 | 109 | K174 | D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.13Å | ||
| 173 | A | 69.2 | Low | 73.1 | Confident | 107 Ų | 107 | 117.4 Ų | 117.4 | 88% | 0.884 | 63% | 0.629 | S | S | * | * | trans | -65 | 88.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A171 A175 | A171-A173 PolarHBondContact O-N 2.92Å; A173-A175 PolarHBondContact O-N 3.39Å | ||
| 174 | K | 70.7 | Confident | 73.3 | Confident | 168 Ų | 168 | 120.2 Ų | 120.2 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -71 | 119.8 | 176 | -164.7 | 76.5 | 179 | 179.5 | 0 | 108.4 | D172 | D172-K174 VanDerWaalsContact C-N 3.3Å; D172-K174 PolarHBondContact O-N 3.13Å |
| 175 | A | 72.3 | Confident | 73.8 | Confident | 34 Ų | 34 | 121.3 Ų | 121.3 | 28% | 0.281 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 135.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A173 V179 L180 | A173-A175 PolarHBondContact O-N 3.39Å; A175-V179 HydrophobicContact CB-CB 4.22Å; A175-V179 HydrophobicContact CB-CG1 4.07Å; A175-L180 HydrophobicContact CB-CD2 4.31Å; A175-L180 HydrophobicContact CB-CG 4.32Å; A175-L180 WeakPolarHBondContact O-CD1 3.26Å |
| 176 | P | 80.2 | Confident | 74.6 | Confident | 87 Ų | 87 | 124.7 Ų | 124.7 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 146.6 | 178.8 | -27.9 | 34.2 | 0 | 0 | 0 | 112 | E178 V179 L180 | P176-E178 PolarHBondContact O-N 3Å; P176-V179 HydrophobicContact CB-CG2 4.24Å; P176-V179 HydrophobicContact CG-CG2 4.36Å; P176-V179 WeakPolarHBondContact O-CA 3.33Å; P176-V179 WeakPolarHBondContact O-CB 3.29Å; P176-V179 PolarHBondContact O-N 3.27Å; P176-L180 PolarHBondContact O-N 3.27Å; P176-L180 VanDerWaalsContact O-N 3.1Å |
| 177 | R | 80.2 | Confident | 75 | Confident | 172 Ų | 172 | 116.1 Ų | 116.1 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -51.9 | -33 | -173.5 | -174.6 | 169.6 | 179.7 | -95.9 | 1.7 | 114 | R181 | R177-R181 WeakPolarHBondContact O-CG 3.42Å; R177-R181 PolarHBondContact O-N 2.99Å |
| 178 | E | 82.4 | Confident | 75 | Confident | 100 Ų | 100 | 113 Ų | 113 | 47% | 0.467 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.2 | -34 | 178 | -158 | 58.4 | -155.7 | 0 | 0 | 112.8 | P176 R181 K182 | P176-E178 PolarHBondContact O-N 3Å; E178-R181 PolarHBondContact O-N 3.11Å; E178-R181 WeakPolarHBondContact OE2-CD 3.49Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 3.11Å; E178-K182 WeakPolarHBondContact O-CG 3.4Å; E178-K182 PolarHBondContact O-N 3.5Å |
| 179 | V | 80.1 | Confident | 75 | Confident | 63 Ų | 63 | 112.8 Ų | 112.8 | 38% | 0.382 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.2 | -44.5 | 172.1 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | A175 P176 R181 K182 Q183 | A175-V179 HydrophobicContact CB-CB 4.22Å; A175-V179 HydrophobicContact CB-CG1 4.07Å; P176-V179 HydrophobicContact CB-CG2 4.24Å; P176-V179 HydrophobicContact CG-CG2 4.36Å; P176-V179 WeakPolarHBondContact O-CA 3.33Å; P176-V179 WeakPolarHBondContact O-CB 3.29Å; P176-V179 PolarHBondContact O-N 3.27Å; V179-R181 VanDerWaalsContact C-N 3.34Å; V179-R181 PolarHBondContact O-N 2.86Å; V179-K182 PolarHBondContact O-N 3.42Å; V179-Q183 HydrophobicContact CG1-CG 4.29Å; V179-Q183 WeakPolarHBondContact O-CB 3.46Å; V179-Q183 VanDerWaalsContact O-CG 3.31Å; V179-Q183 WeakPolarHBondContact O-CG 3.35Å; V179-Q183 PolarHBondContact O-N 2.6Å |
| 180 | L | 77.4 | Confident | 74.6 | Confident | 44 Ų | 44 | 107.7 Ų | 107.7 | 23% | 0.23 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -58.8 | -43.4 | 175.1 | -69.5 | 171.1 | 0 | 0 | 0 | 112 | A175 P176 Q183 V184 F189 | A175-L180 HydrophobicContact CB-CD2 4.31Å; A175-L180 HydrophobicContact CB-CG 4.32Å; A175-L180 WeakPolarHBondContact O-CD1 3.26Å; P176-L180 PolarHBondContact O-N 3.27Å; P176-L180 VanDerWaalsContact O-N 3.1Å; L180-Q183 PolarHBondContact O-N 3.37Å; L180-V184 WeakPolarHBondContact O-CG2 3.3Å; L180-V184 PolarHBondContact O-N 2.83Å; L180-F189 HydrophobicContact CD2-CD2 4.24Å; L180-F189 HydrophobicContact CD2-CE2 3.75Å |
| 181 | R | 80 | Confident | 74.3 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 48% | 0.475 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.2 | -44 | 175.4 | -80.6 | 171.6 | 165.5 | -179.7 | -13.6 | 112.6 | R177 E178 V179 V184 K185 | R177-R181 WeakPolarHBondContact O-CG 3.42Å; R177-R181 PolarHBondContact O-N 2.99Å; E178-R181 PolarHBondContact O-N 3.11Å; E178-R181 WeakPolarHBondContact OE2-CD 3.49Å; E178-R181 IonicContact OE2-NH1 2.77Å; E178-R181 PolarHBondContact OE2-NH1 3.11Å; V179-R181 VanDerWaalsContact C-N 3.34Å; V179-R181 PolarHBondContact O-N 2.86Å; R181-V184 PolarHBondContact O-N 3.4Å; R181-K185 WeakPolarHBondContact O-CB 3.32Å; R181-K185 PolarHBondContact O-N 3.18Å |
| 182 | K | 83.5 | Confident | 74.1 | Confident | 118 Ų | 118 | 106.5 Ų | 106.5 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.3 | -43.6 | 176.5 | -73.3 | -179.5 | -179.2 | -177.9 | 0 | 111.3 | E178 V179 V184 K185 Y186 | E178-K182 WeakPolarHBondContact O-CG 3.4Å; E178-K182 PolarHBondContact O-N 3.5Å; V179-K182 PolarHBondContact O-N 3.42Å; K182-V184 VanDerWaalsContact C-N 3.29Å; K182-V184 PolarHBondContact O-N 3.06Å; K182-K185 PolarHBondContact O-N 3.36Å; K182-K185 VanDerWaalsContact O-N 3.12Å; K182-Y186 HydrophobicContact CB-CD2 4.14Å; K182-Y186 HydrophobicContact CB-CE2 4.25Å; K182-Y186 HydrophobicContact CG-CE2 4.34Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.18Å |
| 183 | Q | 80.9 | Confident | 74 | Confident | 57 Ų | 57 | 100.6 Ų | 100.6 | 27% | 0.266 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 176.8 | -73.1 | 177.5 | -46.4 | 0 | 0 | 112.3 | V179 L180 G187 T188 F189 | V179-Q183 HydrophobicContact CG1-CG 4.29Å; V179-Q183 WeakPolarHBondContact O-CB 3.46Å; V179-Q183 VanDerWaalsContact O-CG 3.31Å; V179-Q183 WeakPolarHBondContact O-CG 3.35Å; V179-Q183 PolarHBondContact O-N 2.6Å; L180-Q183 PolarHBondContact O-N 3.37Å; Q183-G187 CarbonylContact O-C 3.44Å; Q183-G187 WeakPolarHBondContact O-CA 3.36Å; Q183-G187 PolarHBondContact O-N 3.25Å; Q183-G187 VanDerWaalsContact O-N 3.1Å; Q183-T188 PolarHBondContact O-N 3.4Å; Q183-F189 HydrophobicContact CB-CB 3.96Å; Q183-F189 HydrophobicContact CB-CD2 4.28Å; Q183-F189 PolarHBondContact O-N 3.27Å; Q183-F189 VanDerWaalsContact O-N 3.11Å |
| 184 | V | 76.8 | Confident | 73.9 | Confident | 106 Ų | 106 | 98 Ų | 98 | 64% | 0.642 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.5 | -45.3 | 172 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L180 R181 K182 Y186 G187 F189 | L180-V184 WeakPolarHBondContact O-CG2 3.3Å; L180-V184 PolarHBondContact O-N 2.83Å; R181-V184 PolarHBondContact O-N 3.4Å; K182-V184 VanDerWaalsContact C-N 3.29Å; K182-V184 PolarHBondContact O-N 3.06Å; V184-Y186 PolarHBondContact O-N 2.75Å; V184-G187 PolarHBondContact O-N 2.83Å; V184-F189 HydrophobicContact CG2-CB 4.49Å |
| 185 | K | 81.2 | Confident | 74 | Confident | 163 Ų | 163 | 99 Ų | 99 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -39.6 | -179.6 | -175.6 | 177.8 | -179.7 | -178.9 | 0 | 113 | R181 K182 | R181-K185 WeakPolarHBondContact O-CB 3.32Å; R181-K185 PolarHBondContact O-N 3.18Å; K182-K185 PolarHBondContact O-N 3.36Å; K182-K185 VanDerWaalsContact O-N 3.12Å |
| 186 | Y | 81.4 | Confident | 74.2 | Confident | 159 Ų | 159 | 103 Ų | 103 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 9.3 | -177 | -62.1 | -69.4 | 0 | 0 | 0 | 113.3 | K182 V184 T188 | K182-Y186 HydrophobicContact CB-CD2 4.14Å; K182-Y186 HydrophobicContact CB-CE2 4.25Å; K182-Y186 HydrophobicContact CG-CE2 4.34Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.18Å; V184-Y186 PolarHBondContact O-N 2.75Å; Y186-T188 PolarHBondContact O-N 2.9Å; Y186-T188 VanDerWaalsContact O-N 3.1Å; Y186-T188 PolarHBondContact O-OG1 3.27Å |
| 187 | G | 74.2 | Confident | 73.9 | Confident | 67 Ų | 67 | 103.4 Ų | 103.4 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 11.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q183 V184 F189 | Q183-G187 CarbonylContact O-C 3.44Å; Q183-G187 WeakPolarHBondContact O-CA 3.36Å; Q183-G187 PolarHBondContact O-N 3.25Å; Q183-G187 VanDerWaalsContact O-N 3.1Å; V184-G187 PolarHBondContact O-N 2.83Å; G187-F189 PolarHBondContact O-N 3.03Å |
| 188 | T | 67.5 | Low | 73.7 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | trans | -82.7 | 2.4 | -179.8 | -26 | 0 | 0 | 0 | 0 | 113 | Q183 Y186 S190 | Q183-T188 PolarHBondContact O-N 3.4Å; Y186-T188 PolarHBondContact O-N 2.9Å; Y186-T188 VanDerWaalsContact O-N 3.1Å; Y186-T188 PolarHBondContact O-OG1 3.27Å; T188-S190 VanDerWaalsContact C-N 3.34Å; T188-S190 PolarHBondContact O-N 3.18Å | ||
| 189 | F | 66.1 | Low | 73.7 | Confident | 99 Ų | 99 | 96.7 Ų | 96.7 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | trans | -77 | 84.9 | 175.6 | -169.2 | -97.6 | 0 | 0 | 0 | 110 | L180 Q183 V184 G187 N191 | L180-F189 HydrophobicContact CD2-CD2 4.24Å; L180-F189 HydrophobicContact CD2-CE2 3.75Å; Q183-F189 HydrophobicContact CB-CB 3.96Å; Q183-F189 HydrophobicContact CB-CD2 4.28Å; Q183-F189 PolarHBondContact O-N 3.27Å; Q183-F189 VanDerWaalsContact O-N 3.11Å; V184-F189 HydrophobicContact CG2-CB 4.49Å; G187-F189 PolarHBondContact O-N 3.03Å; F189-N191 HydrophobicContact CE1-CB 4.49Å | ||
| 190 | S | 61.3 | Low | 73.9 | Confident | 84 Ų | 84 | 98.5 Ų | 98.5 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | trans | -88.4 | 117.1 | 169.1 | 171 | 0 | 0 | 0 | 0 | 109.2 | T188 V192 | T188-S190 VanDerWaalsContact C-N 3.34Å; T188-S190 PolarHBondContact O-N 3.18Å; S190-V192 PolarHBondContact O-N 3.11Å | ||
| 191 | N | 63.2 | Low | 73.9 | Confident | 124 Ų | 124 | 96.6 Ų | 96.6 | 66% | 0.663 | 50% | 0.496 | S | S | * | . | trans | -79.9 | 70.6 | 170.9 | -146 | 15.2 | 0 | 0 | 0 | 107.7 | F189 A193 | F189-N191 HydrophobicContact CE1-CB 4.49Å; N191-A193 PolarHBondContact O-N 3.26Å | ||
| 192 | V | 61.9 | Low | 74 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 67% | 0.667 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -68 | 124 | 175.9 | -113.7 | 0 | 0 | 0 | 0 | 108.1 | S190 S194 | S190-V192 PolarHBondContact O-N 3.11Å; V192-S194 PolarHBondContact O-N 3.08Å |
| 193 | A | 64.2 | Low | 74.1 | Confident | 33 Ų | 33 | 101.6 Ų | 101.6 | 27% | 0.273 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 136.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N191 E197 V198 V215 | N191-A193 PolarHBondContact O-N 3.26Å; A193-E197 HydrophobicContact CB-CB 4.27Å; A193-V198 HydrophobicContact CB-CG2 3.94Å; A193-V215 HydrophobicContact CB-CG1 3.21Å |
| 194 | S | 67.4 | Low | 74.3 | Confident | 53 Ų | 53 | 102.2 Ų | 102.2 | 37% | 0.371 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 156.3 | 174.4 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | V192 E196 E197 V198 | V192-S194 PolarHBondContact O-N 3.08Å; S194-E196 PolarHBondContact O-N 2.97Å; S194-E197 WeakPolarHBondContact CB-OE2 3.15Å; S194-E197 PolarHBondContact N-OE2 2.97Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.47Å; S194-E197 VanDerWaalsContact OG-CD 3.26Å; S194-E197 WeakPolarHBondContact OG-CG 3.4Å; S194-E197 PolarHBondContact OG-N 2.93Å; S194-E197 PolarHBondContact OG-OE2 3.27Å; S194-V198 WeakPolarHBondContact O-CG2 3.49Å; S194-V198 PolarHBondContact O-N 2.88Å |
| 195 | R | 71.9 | Confident | 74.5 | Confident | 187 Ų | 187 | 100.8 Ų | 100.8 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.3 | -42.6 | 177.5 | -175 | -172.8 | 176.2 | -142.6 | 2.8 | 111.5 | V198 L199 | R195-V198 PolarHBondContact O-N 3.09Å; R195-L199 HydrophobicContact CG-CD1 3.85Å; R195-L199 HydrophobicContact CG-CG 4.43Å; R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 VanDerWaalsContact O-CG 3.29Å; R195-L199 WeakPolarHBondContact O-CG 3.45Å; R195-L199 PolarHBondContact O-N 3.12Å |
| 196 | E | 77 | Confident | 74.7 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.6 | -45.4 | 174.6 | -89.7 | 57.8 | -138.8 | 0 | 0 | 112.3 | S194 V198 L199 Q200 | S194-E196 PolarHBondContact O-N 2.97Å; E196-V198 VanDerWaalsContact C-N 3.34Å; E196-V198 PolarHBondContact O-N 2.74Å; E196-L199 PolarHBondContact O-N 3.37Å; E196-Q200 WeakPolarHBondContact O-CB 3.18Å; E196-Q200 PolarHBondContact O-N 3.14Å |
| 197 | E | 73.8 | Confident | 74.8 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 178.6 | -72.7 | 167.5 | 136.2 | 0 | 0 | 111.9 | A193 S194 S201 V215 | A193-E197 HydrophobicContact CB-CB 4.27Å; S194-E197 WeakPolarHBondContact CB-OE2 3.15Å; S194-E197 PolarHBondContact N-OE2 2.97Å; S194-E197 PolarHBondContact O-N 3.38Å; S194-E197 WeakPolarHBondContact OG-CB 3.47Å; S194-E197 VanDerWaalsContact OG-CD 3.26Å; S194-E197 WeakPolarHBondContact OG-CG 3.4Å; S194-E197 PolarHBondContact OG-N 2.93Å; S194-E197 PolarHBondContact OG-OE2 3.27Å; E197-S201 VanDerWaalsContact O-CB 3.23Å; E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 3.12Å; E197-V215 HydrophobicContact CB-CG1 3.96Å; E197-V215 HydrophobicContact CB-CG2 4.16Å |
| 198 | V | 76.4 | Confident | 75.2 | Confident | 62 Ų | 62 | 94.5 Ų | 94.5 | 38% | 0.376 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 175.1 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | A193 S194 R195 E196 Q200 S201 R202 | A193-V198 HydrophobicContact CB-CG2 3.94Å; S194-V198 WeakPolarHBondContact O-CG2 3.49Å; S194-V198 PolarHBondContact O-N 2.88Å; R195-V198 PolarHBondContact O-N 3.09Å; E196-V198 VanDerWaalsContact C-N 3.34Å; E196-V198 PolarHBondContact O-N 2.74Å; V198-Q200 VanDerWaalsContact C-N 3.34Å; V198-Q200 PolarHBondContact O-N 3.29Å; V198-S201 PolarHBondContact O-N 3.39Å; V198-R202 WeakPolarHBondContact O-CB 3.29Å; V198-R202 PolarHBondContact O-N 3.17Å |
| 199 | L | 82 | Confident | 75.8 | Confident | 70 Ų | 70 | 93.9 Ų | 93.9 | 37% | 0.366 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.7 | -77.5 | 166.2 | 0 | 0 | 0 | 111.4 | R195 E196 R202 R203 | R195-L199 HydrophobicContact CG-CD1 3.85Å; R195-L199 HydrophobicContact CG-CG 4.43Å; R195-L199 WeakPolarHBondContact O-CB 3.37Å; R195-L199 VanDerWaalsContact O-CG 3.29Å; R195-L199 WeakPolarHBondContact O-CG 3.45Å; R195-L199 PolarHBondContact O-N 3.12Å; E196-L199 PolarHBondContact O-N 3.37Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 3.09Å; L199-R203 WeakPolarHBondContact O-CG 3.42Å; L199-R203 PolarHBondContact O-N 3.28Å |
| 200 | Q | 83.5 | Confident | 76.3 | Confident | 101 Ų | 101 | 98.8 Ų | 98.8 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70 | -39.2 | 179.9 | -168.5 | 165.7 | 14.8 | 0 | 0 | 111.6 | E196 V198 R202 R203 Y204 | E196-Q200 WeakPolarHBondContact O-CB 3.18Å; E196-Q200 PolarHBondContact O-N 3.14Å; V198-Q200 VanDerWaalsContact C-N 3.34Å; V198-Q200 PolarHBondContact O-N 3.29Å; Q200-R202 VanDerWaalsContact C-N 3.29Å; Q200-R202 PolarHBondContact O-N 2.85Å; Q200-R203 WeakPolarHBondContact O-CB 2.81Å; Q200-R203 PolarHBondContact O-N 3.33Å; Q200-Y204 HydrophobicContact CG-CD2 4.11Å; Q200-Y204 HydrophobicContact CG-CE2 3.55Å; Q200-Y204 PolarHBondContact NE2-OH 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3.36Å; Q200-Y204 PolarHBondContact O-N 3.45Å |
| 201 | S | 78.7 | Confident | 77.2 | Confident | 3 Ų | 3 | 101.6 Ų | 101.6 | 2% | 0.021 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 172 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | E197 V198 Y204 L205 A213 | E197-S201 VanDerWaalsContact O-CB 3.23Å; E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 3.12Å; V198-S201 PolarHBondContact O-N 3.39Å; S201-Y204 PolarHBondContact O-N 2.93Å; S201-L205 WeakPolarHBondContact O-CG 3.24Å; S201-L205 PolarHBondContact O-N 3.19Å; S201-A213 WeakPolarHBondContact OG-CA 3.07Å |
| 202 | R | 82 | Confident | 77.7 | Confident | 164 Ų | 164 | 101.2 Ų | 101.2 | 62% | 0.619 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 174.6 | -169 | 174.1 | -179.3 | 173 | 0.9 | 111.9 | V198 L199 Q200 Y204 L205 D206 | V198-R202 WeakPolarHBondContact O-CB 3.29Å; V198-R202 PolarHBondContact O-N 3.17Å; L199-R202 WeakPolarHBondContact O-CB 3.39Å; L199-R202 PolarHBondContact O-N 3.09Å; Q200-R202 VanDerWaalsContact C-N 3.29Å; Q200-R202 PolarHBondContact O-N 2.85Å; R202-Y204 VanDerWaalsContact C-N 3.32Å; R202-Y204 PolarHBondContact O-N 3.24Å; R202-L205 PolarHBondContact O-N 2.94Å; R202-L205 VanDerWaalsContact O-N 3.13Å; R202-D206 PolarHBondContact O-N 3.4Å |
| 203 | R | 85.2 | Confident | 78.1 | Confident | 185 Ų | 185 | 96.8 Ų | 96.8 | 70% | 0.698 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.4 | -41.1 | 173.2 | -71.1 | 176.4 | -177.9 | -174.4 | 1.1 | 112.5 | L199 Q200 A207 | L199-R203 WeakPolarHBondContact O-CG 3.42Å; L199-R203 PolarHBondContact O-N 3.28Å; Q200-R203 WeakPolarHBondContact O-CB 2.81Å; Q200-R203 PolarHBondContact O-N 3.33Å; R203-A207 VanDerWaalsContact O-CB 3.31Å; R203-A207 WeakPolarHBondContact O-CB 3.29Å; R203-A207 PolarHBondContact O-N 3.09Å |
| 204 | Y | 84.8 | Confident | 78 | Confident | 71 Ų | 71 | 102.6 Ų | 102.6 | 28% | 0.278 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -35 | 176.1 | -71.2 | -52.4 | 0 | 0 | 0 | 112.7 | Q200 S201 R202 A207 G208 M209 K212 | Q200-Y204 HydrophobicContact CG-CD2 4.11Å; Q200-Y204 HydrophobicContact CG-CE2 3.55Å; Q200-Y204 PolarHBondContact NE2-OH 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3.36Å; Q200-Y204 PolarHBondContact O-N 3.45Å; S201-Y204 PolarHBondContact O-N 2.93Å; R202-Y204 VanDerWaalsContact C-N 3.32Å; R202-Y204 PolarHBondContact O-N 3.24Å; Y204-A207 PolarHBondContact O-N 2.86Å; Y204-G208 PolarHBondContact O-N 2.94Å; Y204-M209 HydrophobicContact CD1-CB 4.35Å; Y204-M209 HydrophobicContact CD1-SD 4.22Å; Y204-M209 WeakPolarHBondContact O-CA 3.35Å; Y204-M209 PolarHBondContact O-N 3.42Å; Y204-K212 HydrophobicContact CD1-CB 3.89Å; Y204-K212 HydrophobicContact CD1-CD 4.17Å; Y204-K212 HydrophobicContact CD2-CB 3.97Å; Y204-K212 HydrophobicContact CE1-CB 4.21Å; Y204-K212 HydrophobicContact CE1-CD 3.97Å; Y204-K212 HydrophobicContact CE2-CB 4.25Å; Y204-K212 HydrophobicContact CG-CB 3.79Å |
| 205 | L | 81.2 | Confident | 77.6 | Confident | 75 Ų | 75 | 101.9 Ų | 101.9 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 174.6 | -71.7 | 178.2 | 0 | 0 | 0 | 112.3 | S201 R202 A207 G208 R210 A213 L216 | S201-L205 WeakPolarHBondContact O-CG 3.24Å; S201-L205 PolarHBondContact O-N 3.19Å; R202-L205 PolarHBondContact O-N 2.94Å; R202-L205 VanDerWaalsContact O-N 3.13Å; L205-A207 PolarHBondContact O-N 3.34Å; L205-G208 PolarHBondContact O-N 2.94Å; L205-R210 HydrophobicContact CD2-CG 4.46Å; L205-A213 HydrophobicContact CD2-CB 3.59Å; L205-A213 HydrophobicContact CG-CB 3.71Å; L205-L216 HydrophobicContact CD1-CD1 3.35Å; L205-L216 HydrophobicContact CG-CD1 4.46Å |
| 206 | D | 84.1 | Confident | 76.8 | Confident | 130 Ų | 130 | 97.2 Ų | 97.2 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.8 | -31.4 | 176.5 | -70.4 | -21 | 0 | 0 | 0 | 111.3 | R202 G208 | R202-D206 PolarHBondContact O-N 3.4Å; D206-G208 VanDerWaalsContact C-N 3.33Å |
| 207 | A | 85.2 | Confident | 75.5 | Confident | 68 Ų | 68 | 99.6 Ų | 99.6 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 6.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R203 Y204 L205 M209 | R203-A207 VanDerWaalsContact O-CB 3.31Å; R203-A207 WeakPolarHBondContact O-CB 3.29Å; R203-A207 PolarHBondContact O-N 3.09Å; Y204-A207 PolarHBondContact O-N 2.86Å; L205-A207 PolarHBondContact O-N 3.34Å; A207-M209 HydrophobicContact CB-CG 4.34Å; A207-M209 PolarHBondContact O-N 3.49Å |
| 208 | G | 81.3 | Confident | 74.3 | Confident | 60 Ų | 60 | 104.7 Ų | 104.7 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 5.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y204 L205 D206 R210 | Y204-G208 PolarHBondContact O-N 2.94Å; L205-G208 PolarHBondContact O-N 2.94Å; D206-G208 VanDerWaalsContact C-N 3.33Å; G208-R210 PolarHBondContact O-N 3.49Å; G208-R210 VanDerWaalsContact O-N 3.14Å |
| 209 | M | 80.3 | Confident | 72.8 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 39% | 0.389 | 52% | 0.521 | S | S | . | . | trans | -89.2 | 67.2 | -176.8 | -54.2 | -168.2 | 90.5 | 0 | 0 | 112.2 | Y204 A207 D211 K212 A213 | Y204-M209 HydrophobicContact CD1-CB 4.35Å; Y204-M209 HydrophobicContact CD1-SD 4.22Å; Y204-M209 WeakPolarHBondContact O-CA 3.35Å; Y204-M209 PolarHBondContact O-N 3.42Å; A207-M209 HydrophobicContact CB-CG 4.34Å; A207-M209 PolarHBondContact O-N 3.49Å; M209-D211 VanDerWaalsContact C-N 3.28Å; M209-D211 PolarHBondContact O-N 3.09Å; M209-K212 HydrophobicContact CB-CB 4.36Å; M209-K212 HydrophobicContact CB-CD 4.39Å; M209-K212 HydrophobicContact CB-CG 4.44Å; M209-K212 HydrophobicContact CE-CD 3.77Å; M209-K212 VanDerWaalsContact CE-CE 3.47Å; M209-K212 PolarHBondContact O-N 3.45Å; M209-K212 VanDerWaalsContact O-N 3.08Å; M209-K212 HydrophobicContact SD-CD 4Å; M209-A213 PolarHBondContact O-N 3.26Å | ||
| 210 | R | 77.3 | Confident | 70.8 | Confident | 202 Ų | 202 | 108.4 Ų | 108.4 | 76% | 0.762 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -57.5 | -36.5 | -175.1 | -68.2 | -178 | 174.3 | 179.5 | -1.4 | 113.9 | L205 G208 K212 A213 | L205-R210 HydrophobicContact CD2-CG 4.46Å; G208-R210 PolarHBondContact O-N 3.49Å; G208-R210 VanDerWaalsContact O-N 3.14Å; R210-K212 PolarHBondContact O-N 3.31Å; R210-K212 VanDerWaalsContact O-N 3.14Å; R210-A213 PolarHBondContact O-N 3.08Å; R210-A213 VanDerWaalsContact O-N 3.11Å |
| 211 | D | 79.3 | Confident | 68.5 | Low | 142 Ų | 142 | 108.1 Ų | 108.1 | 76% | 0.759 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -64.5 | -20.7 | -179.5 | -52.9 | -42.2 | 0 | 0 | 0 | 113.5 | M209 K214 | M209-D211 VanDerWaalsContact C-N 3.28Å; M209-D211 PolarHBondContact O-N 3.09Å; D211-K214 WeakPolarHBondContact O-CE 3.2Å |
| 212 | K | 73.4 | Confident | 66.5 | Low | 116 Ų | 116 | 114.8 Ų | 114.8 | 50% | 0.504 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -95.2 | -15.9 | 179.4 | -61.2 | -170.8 | -180 | -179.7 | 0 | 112.8 | Y204 M209 R210 K214 | Y204-K212 HydrophobicContact CD1-CB 3.89Å; Y204-K212 HydrophobicContact CD1-CD 4.17Å; Y204-K212 HydrophobicContact CD2-CB 3.97Å; Y204-K212 HydrophobicContact CE1-CB 4.21Å; Y204-K212 HydrophobicContact CE1-CD 3.97Å; Y204-K212 HydrophobicContact CE2-CB 4.25Å; Y204-K212 HydrophobicContact CG-CB 3.79Å; M209-K212 HydrophobicContact CB-CB 4.36Å; M209-K212 HydrophobicContact CB-CD 4.39Å; M209-K212 HydrophobicContact CB-CG 4.44Å; M209-K212 HydrophobicContact CE-CD 3.77Å; M209-K212 VanDerWaalsContact CE-CE 3.47Å; M209-K212 PolarHBondContact O-N 3.45Å; M209-K212 VanDerWaalsContact O-N 3.08Å; M209-K212 HydrophobicContact SD-CD 4Å; R210-K212 PolarHBondContact O-N 3.31Å; R210-K212 VanDerWaalsContact O-N 3.14Å; K212-K214 VanDerWaalsContact C-N 3.31Å; K212-K214 PolarHBondContact O-N 2.9Å; K212-K214 VanDerWaalsContact O-N 3.1Å |
| 213 | A | 70.3 | Confident | 64.4 | Low | 17 Ų | 17 | 109.2 Ų | 109.2 | 14% | 0.14 | 58% | 0.584 | C | S | . | * | trans | -86.2 | 60.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S201 L205 M209 R210 V215 | S201-A213 WeakPolarHBondContact OG-CA 3.07Å; L205-A213 HydrophobicContact CD2-CB 3.59Å; L205-A213 HydrophobicContact CG-CB 3.71Å; M209-A213 PolarHBondContact O-N 3.26Å; R210-A213 PolarHBondContact O-N 3.08Å; R210-A213 VanDerWaalsContact O-N 3.11Å; A213-V215 VanDerWaalsContact C-N 3.33Å; A213-V215 PolarHBondContact O-N 3.39Å | ||
| 214 | K | 63 | Low | 62.2 | Low | 156 Ų | 156 | 108.3 Ų | 108.3 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | trans | -81.6 | -5.2 | -173.1 | -61.4 | -173.4 | -178.5 | -173.4 | 0 | 115 | D211 K212 | D211-K214 WeakPolarHBondContact O-CE 3.2Å; K212-K214 VanDerWaalsContact C-N 3.31Å; K212-K214 PolarHBondContact O-N 2.9Å; K212-K214 VanDerWaalsContact O-N 3.1Å | ||
| 215 | V | 59.1 | Low | 60 | Low | 37 Ų | 37 | 113.1 Ų | 113.1 | 22% | 0.224 | 62% | 0.621 | C | S | . | * | S | Bend | trans | -89.4 | -30.5 | -165.2 | -180 | 0 | 0 | 0 | 0 | 112.5 | A193 E197 A213 H217 | A193-V215 HydrophobicContact CB-CG1 3.21Å; E197-V215 HydrophobicContact CB-CG1 3.96Å; E197-V215 HydrophobicContact CB-CG2 4.16Å; A213-V215 VanDerWaalsContact C-N 3.33Å; A213-V215 PolarHBondContact O-N 3.39Å; V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.21Å |
| 216 | L | 54.9 | Low | 57.9 | Low | 89 Ų | 89 | 112.9 Ų | 112.9 | 47% | 0.466 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -75.6 | -15.9 | -173.9 | -71.5 | 165 | 0 | 0 | 0 | 114.3 | L205 R218 | L205-L216 HydrophobicContact CD1-CD1 3.35Å; L205-L216 HydrophobicContact CG-CD1 4.46Å; L216-R218 PolarHBondContact O-N 2.9Å |
| 217 | H | 48.9 | Very low | 55.8 | Low | 171 Ų | 171 | 115 Ų | 115 | 79% | 0.792 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -84.1 | -3.3 | -176.1 | -148.4 | -63.7 | 0 | 0 | 0 | 114.5 | V215 | V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.21Å |
| 218 | R | 49 | Very low | 53.6 | Low | 200 Ų | 200 | 117.7 Ų | 117.7 | 76% | 0.755 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -92.6 | -3.7 | -175.8 | -68.6 | -168.3 | -164.9 | 169.4 | 5.5 | 115.4 | L216 | L216-R218 PolarHBondContact O-N 2.9Š|
| 219 | V | 45.5 | Very low | 51.9 | Low | 123 Ų | 123 | 120.2 Ų | 120.2 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -89.9 | -4.3 | -172.2 | -176.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 220 | A | 39.4 | Very low | 49.9 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -147.6 | 80.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 221 | S | 36.1 | Very low | 48.3 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | trans | -178 | 116 | 142.1 | -158.7 | 0 | 0 | 0 | 0 | 111 | G223 | S221-G223 PolarHBondContact O-N 2.73Š| ||
| 222 | P | 36.8 | Very low | 46.4 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 93% | 0.929 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -76.7 | 90.5 | 161.3 | 10.8 | 5.2 | 0 | 0 | 0 | 108.3 | ||
| 223 | G | 37.1 | Very low | 45.2 | Very low | 46 Ų | 46 | 128.2 Ų | 128.2 | 47% | 0.474 | 71% | 0.711 | S | S | . | * | trans | 152.4 | 85.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S221 | S221-G223 PolarHBondContact O-N 2.73Š| ||
| 224 | D | 38.7 | Very low | 44.2 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -174.7 | 83.7 | 147.5 | -92.3 | -27.8 | 0 | 0 | 0 | 108.3 | G226 | D224-G226 PolarHBondContact O-N 2.94Š| ||
| 225 | I | 40 | Very low | 43.4 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | -78.7 | 77 | 167.6 | -58.9 | 174.2 | 0 | 0 | 0 | 106.4 | ||||
| 226 | G | 35.7 | Very low | 43.1 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -89.9 | 100.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D224 S228 | D224-G226 PolarHBondContact O-N 2.94Å; G226-S228 PolarHBondContact O-N 3.07Å | ||
| 227 | M | 40.2 | Very low | 43.3 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 120.2 | 171.1 | -61.1 | 172.3 | 73.7 | 0 | 0 | 110.4 | ||||
| 228 | S | 39.1 | Very low | 43.7 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 173.5 | 141.8 | 156.4 | -82 | 0 | 0 | 0 | 0 | 107.4 | G226 | G226-S228 PolarHBondContact O-N 3.07Š| ||
| 229 | S | 45.1 | Very low | 44.5 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | cis | -155.1 | 140.3 | 10.3 | 143.4 | 0 | 0 | 0 | 0 | 105.7 | G231 | S229-G231 PolarHBondContact O-N 3.33Å; S229-G231 VanDerWaalsContact O-N 3.08Å | ||
| 230 | R | 40.1 | Very low | 45.5 | Very low | 252 Ų | 252 | 138.7 Ų | 138.7 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | -70.3 | 99.7 | 179.7 | -74.8 | 174.1 | 172.8 | 170.5 | -2.2 | 109.4 | ||||
| 231 | G | 42 | Very low | 46.8 | Very low | 62 Ų | 62 | 137.1 Ų | 137.1 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | -71.8 | 123.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S229 R233 | S229-G231 PolarHBondContact O-N 3.33Å; S229-G231 VanDerWaalsContact O-N 3.08Å; G231-R233 PolarHBondContact O-N 3.43Å | ||
| 232 | D | 40.7 | Very low | 48.6 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -48.6 | 107.6 | -177.3 | -152.7 | -3.1 | 0 | 0 | 0 | 113 | ||||
| 233 | R | 47.7 | Very low | 50.3 | Low | 232 Ų | 232 | 138.1 Ų | 138.1 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | -105.8 | 107.5 | 173.1 | -73 | -171.6 | -170.2 | -179.8 | 3.6 | 108.7 | G231 N235 | G231-R233 PolarHBondContact O-N 3.43Å; R233-N235 PolarHBondContact O-N 3.12Å; R233-N235 VanDerWaalsContact O-N 3.12Å | ||
| 234 | K | 49.8 | Very low | 52.3 | Low | 192 Ų | 192 | 140.4 Ų | 140.4 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -46.1 | 118.2 | 169 | -60.4 | -178 | -178 | -178.2 | 0 | 109.1 | V236 | K234-V236 VanDerWaalsContact C-N 3.29Å; K234-V236 PolarHBondContact O-N 2.69Å | ||
| 235 | N | 45.3 | Very low | 54.1 | Low | 150 Ų | 150 | 134.8 Ų | 134.8 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | -70.7 | 82.8 | -177.8 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | R233 K237 | R233-N235 PolarHBondContact O-N 3.12Å; R233-N235 VanDerWaalsContact O-N 3.12Å; N235-K237 PolarHBondContact O-N 2.91Å | ||
| 236 | V | 52.5 | Low | 55.9 | Low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -79.2 | 106.1 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 107 | K234 | K234-V236 VanDerWaalsContact C-N 3.29Å; K234-V236 PolarHBondContact O-N 2.69Å | ||
| 237 | K | 59.6 | Low | 57.9 | Low | 178 Ų | 178 | 134.4 Ų | 134.4 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 132 | 173.4 | -62.9 | 175.5 | -177 | 174.4 | 0 | 108.6 | N235 A239 | N235-K237 PolarHBondContact O-N 2.91Å; K237-A239 PolarHBondContact O-N 3.01Å; K237-A239 VanDerWaalsContact O-N 3.08Å |
| 238 | P | 57.2 | Low | 59.8 | Low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 119.1 | -179 | 24.8 | -32.1 | 0 | 0 | 0 | 108.9 | K240 | P238-K240 PolarHBondContact O-N 3.01Š|
| 239 | A | 66.8 | Low | 61.7 | Low | 99 Ų | 99 | 131.4 Ų | 131.4 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 121.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | K237 A241 | K237-A239 PolarHBondContact O-N 3.01Å; K237-A239 VanDerWaalsContact O-N 3.08Å; A239-A241 PolarHBondContact O-N 3.2Å |
| 240 | K | 65.7 | Low | 63.1 | Low | 147 Ų | 147 | 132.5 Ų | 132.5 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.2 | 175 | -74.2 | 169.8 | 175.6 | 177.5 | 0 | 108 | P238 L248 | P238-K240 PolarHBondContact O-N 3.01Å; K240-L248 HydrophobicContact CD-CD1 3.67Å; K240-L248 HydrophobicContact CG-CD1 4.4Å |
| 241 | A | 67.7 | Low | 64.9 | Low | 53 Ų | 53 | 124.4 Ų | 124.4 | 44% | 0.438 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -53 | 144 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A239 L243 M244 A245 | A239-A241 PolarHBondContact O-N 3.2Å; A241-L243 PolarHBondContact O-N 2.88Å; A241-M244 HydrophobicContact CB-CG 4.46Å; A241-M244 WeakPolarHBondContact O-CA 3.24Å; A241-M244 WeakPolarHBondContact O-CB 3.38Å; A241-M244 PolarHBondContact O-N 3.41Å; A241-A245 PolarHBondContact O-N 3.44Å |
| 242 | P | 72.6 | Confident | 66.5 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -53.7 | -35 | -173.1 | -26.5 | 32.7 | 0 | 0 | 0 | 114.1 | ||
| 243 | L | 73.3 | Confident | 67.9 | Low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.9 | -43.7 | 175.8 | -159.9 | 81.9 | 0 | 0 | 0 | 112.1 | A241 A245 K246 T247 | A241-L243 PolarHBondContact O-N 2.88Å; L243-A245 VanDerWaalsContact C-N 3.3Å; L243-A245 PolarHBondContact O-N 3.45Å; L243-K246 PolarHBondContact O-N 3.38Å; L243-T247 PolarHBondContact O-N 3.45Å; L243-T247 PolarHBondContact O-OG1 2.9Å |
| 244 | M | 79.7 | Confident | 68.7 | Low | 95 Ų | 95 | 123.3 Ų | 123.3 | 47% | 0.468 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.7 | -29.3 | 179.3 | -74 | -88.5 | 88.2 | 0 | 0 | 112.5 | A241 K246 T247 L248 | A241-M244 HydrophobicContact CB-CG 4.46Å; A241-M244 WeakPolarHBondContact O-CA 3.24Å; A241-M244 WeakPolarHBondContact O-CB 3.38Å; A241-M244 PolarHBondContact O-N 3.41Å; M244-K246 VanDerWaalsContact C-N 3.35Å; M244-T247 HydrophobicContact CE-CG2 4.42Å; M244-T247 PolarHBondContact O-N 3.21Å; M244-L248 WeakPolarHBondContact O-CB 3.26Å; M244-L248 WeakPolarHBondContact O-CG 3.4Å; M244-L248 PolarHBondContact O-N 3.47Å |
| 245 | A | 76.3 | Confident | 69.3 | Low | 47 Ų | 47 | 121.9 Ų | 121.9 | 39% | 0.388 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63.2 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A241 L243 K249 | A241-A245 PolarHBondContact O-N 3.44Å; L243-A245 VanDerWaalsContact C-N 3.3Å; L243-A245 PolarHBondContact O-N 3.45Å; A245-K249 WeakPolarHBondContact O-CB 3.17Å; A245-K249 PolarHBondContact O-N 2.95Å |
| 246 | K | 76.2 | Confident | 70 | Confident | 172 Ų | 172 | 118 Ų | 118 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.9 | -46.7 | 174.4 | -100.4 | -178.6 | 173.2 | -179.4 | 0 | 111.8 | L243 M244 K249 M250 | L243-K246 PolarHBondContact O-N 3.38Å; M244-K246 VanDerWaalsContact C-N 3.35Å; K246-K249 PolarHBondContact O-N 3.28Å; K246-M250 PolarHBondContact O-N 3.46Å |
| 247 | T | 78.9 | Confident | 70.1 | Confident | 62 Ų | 62 | 115.1 Ų | 115.1 | 38% | 0.38 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.5 | -44.8 | -179.1 | -49.5 | 0 | 0 | 0 | 0 | 112.6 | L243 M244 K249 M250 I251 | L243-T247 PolarHBondContact O-N 3.45Å; L243-T247 PolarHBondContact O-OG1 2.9Å; M244-T247 HydrophobicContact CE-CG2 4.42Å; M244-T247 PolarHBondContact O-N 3.21Å; T247-K249 VanDerWaalsContact C-N 3.28Å; T247-K249 PolarHBondContact O-N 3.22Å; T247-M250 PolarHBondContact O-N 2.83Å; T247-I251 HydrophobicContact CG2-CD1 4.03Å; T247-I251 WeakPolarHBondContact O-CG1 3.35Å; T247-I251 PolarHBondContact O-N 3.35Å; T247-I251 VanDerWaalsContact O-N 3.09Å |
| 248 | L | 79.4 | Confident | 69.7 | Low | 77 Ų | 77 | 118.2 Ų | 118.2 | 40% | 0.403 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.9 | -29.7 | 179.1 | -72.7 | 168.4 | 0 | 0 | 0 | 112.8 | K240 M244 K252 | K240-L248 HydrophobicContact CD-CD1 3.67Å; K240-L248 HydrophobicContact CG-CD1 4.4Å; M244-L248 WeakPolarHBondContact O-CB 3.26Å; M244-L248 WeakPolarHBondContact O-CG 3.4Å; M244-L248 PolarHBondContact O-N 3.47Å; L248-K252 WeakPolarHBondContact O-CB 3.09Å; L248-K252 PolarHBondContact O-N 3.48Å |
| 249 | K | 78.9 | Confident | 69.1 | Low | 161 Ų | 161 | 123.5 Ų | 123.5 | 70% | 0.7 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.3 | -41.5 | 176.1 | -153.1 | 176 | -171.8 | -178.3 | 0 | 111.3 | A245 K246 T247 Q253 | A245-K249 WeakPolarHBondContact O-CB 3.17Å; A245-K249 PolarHBondContact O-N 2.95Å; K246-K249 PolarHBondContact O-N 3.28Å; T247-K249 VanDerWaalsContact C-N 3.28Å; T247-K249 PolarHBondContact O-N 3.22Å; K249-Q253 PolarHBondContact O-N 2.83Å |
| 250 | M | 75.9 | Confident | 68.1 | Low | 135 Ų | 135 | 133.7 Ų | 133.7 | 67% | 0.665 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -63.8 | -46 | 173.9 | -91.5 | 179.4 | 62.5 | 0 | 0 | 112.7 | K246 T247 K252 Q253 C254 | K246-M250 PolarHBondContact O-N 3.46Å; T247-M250 PolarHBondContact O-N 2.83Å; M250-K252 VanDerWaalsContact C-N 3.31Å; M250-K252 PolarHBondContact O-N 2.95Å; M250-Q253 PolarHBondContact O-N 2.7Å; M250-Q253 VanDerWaalsContact O-N 3.13Å; M250-C254 PolarHBondContact O-N 2.92Å; M250-C254 VanDerWaalsContact O-N 3.1Å; M250-C254 PolarHBondContact O-SG 3.42Å; M250-C254 VanDerWaalsContact O-SG 3.4Å |
| 251 | I | 77.4 | Confident | 68.2 | Low | 82 Ų | 82 | 133.1 Ų | 133.1 | 42% | 0.421 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -61.2 | -41.3 | -179.2 | -67 | 167 | 0 | 0 | 0 | 111.1 | T247 Q253 C254 Q255 | T247-I251 HydrophobicContact CG2-CD1 4.03Å; T247-I251 WeakPolarHBondContact O-CG1 3.35Å; T247-I251 PolarHBondContact O-N 3.35Å; T247-I251 VanDerWaalsContact O-N 3.09Å; I251-Q253 VanDerWaalsContact C-N 3.3Å; I251-Q253 PolarHBondContact O-N 3.45Å; I251-C254 PolarHBondContact O-N 3.48Å; I251-Q255 WeakPolarHBondContact O-CG 3.28Å; I251-Q255 PolarHBondContact O-N 2.85Å |
| 252 | K | 75.8 | Confident | 68.2 | Low | 167 Ų | 167 | 137.3 Ų | 137.3 | 73% | 0.726 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -66.5 | -32 | 177.9 | -169.8 | 173.2 | 178.5 | 176.4 | 0 | 112.5 | L248 M250 | L248-K252 WeakPolarHBondContact O-CB 3.09Å; L248-K252 PolarHBondContact O-N 3.48Å; M250-K252 VanDerWaalsContact C-N 3.31Å; M250-K252 PolarHBondContact O-N 2.95Å |
| 253 | Q | 69.3 | Low | 68 | Low | 160 Ų | 160 | 138.2 Ų | 138.2 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.8 | -30.8 | 179.3 | -166.2 | 150.9 | 0.5 | 0 | 0 | 112.6 | K249 M250 I251 | K249-Q253 PolarHBondContact O-N 2.83Å; M250-Q253 PolarHBondContact O-N 2.7Å; M250-Q253 VanDerWaalsContact O-N 3.13Å; I251-Q253 VanDerWaalsContact C-N 3.3Å; I251-Q253 PolarHBondContact O-N 3.45Å |
| 254 | C | 65 | Low | 67.7 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76.4 | -22.7 | 174.6 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | M250 I251 | M250-C254 PolarHBondContact O-N 2.92Å; M250-C254 VanDerWaalsContact O-N 3.1Å; M250-C254 PolarHBondContact O-SG 3.42Å; M250-C254 VanDerWaalsContact O-SG 3.4Å; I251-C254 PolarHBondContact O-N 3.48Å |
| 255 | Q | 62.3 | Low | 66.9 | Low | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -6.7 | -178.6 | -70.8 | -178.1 | -7.6 | 0 | 0 | 114.2 | I251 | I251-Q255 WeakPolarHBondContact O-CG 3.28Å; I251-Q255 PolarHBondContact O-N 2.85Å |
| 256 | G | 60.3 | Low | 66.3 | Low | 70 Ų | 70 | 147.1 Ų | 147.1 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 5.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 257 | G | 54.9 | Low | 65.6 | Low | 65 Ų | 65 | 145.3 Ų | 145.3 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | trans | -108.2 | 12.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 258 | R | 50 | Low | 64.6 | Low | 244 Ų | 244 | 151.7 Ų | 151.7 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | trans | -128.6 | 80.8 | 173 | -78.8 | -175.7 | -162.3 | 159.8 | 5.2 | 111.6 | ||||
| 259 | R | 45.9 | Very low | 63.3 | Low | 232 Ų | 232 | 157.9 Ų | 157.9 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | trans | -126.6 | 93 | 152.6 | -79.3 | -165.8 | 179.1 | 174.1 | 0.1 | 106.3 | ||||
| 260 | Y | 44.4 | Very low | 61.9 | Low | 313 Ų | 313 | 157.6 Ų | 157.6 | 100% | 1.227 | 77% | 0.767 | S | S | * | * | trans | -172.4 | 0 | 143.4 | -82.4 | -65 | 0 | 0 | 0 | 105.9 |
Retrieved 260 of 260 residues in 113.4 ms
(Link to these results)