| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.9 | Very low | 58.9 | Low | 239 Ų | 239 | 135 Ų | 135 | 100% | 1.177 | 79% | 0.79 | S | S | * | * | 0 | 100.8 | 0 | -66.3 | -68.9 | -139.4 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 3.08Š| |||
| 2 | S | 46.1 | Very low | 57.9 | Low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 117.6 | -165.4 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | L4 | S2-L4 PolarHBondContact O-N 2.98Å; S2-L4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | L | 58.8 | Low | 57.3 | Low | 141 Ų | 141 | 143.4 Ų | 143.4 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -66.1 | -0.4 | 174.7 | -86.9 | 154.9 | 0 | 0 | 0 | 114 | M1 G5 | M1-L3 PolarHBondContact O-N 3.08Å; L3-G5 VanDerWaalsContact C-N 3.27Å; L3-G5 PolarHBondContact O-N 3.33Å |
| 4 | L | 60.3 | Low | 56 | Low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -74.1 | -11.2 | 178 | -100.9 | 80.2 | 0 | 0 | 0 | 114.2 | S2 | S2-L4 PolarHBondContact O-N 2.98Å; S2-L4 VanDerWaalsContact O-N 3.13Å |
| 5 | G | 66.3 | Low | 54.9 | Low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -89.5 | -4.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L3 | L3-G5 VanDerWaalsContact C-N 3.27Å; L3-G5 PolarHBondContact O-N 3.33Å |
| 6 | Q | 64.2 | Low | 53.9 | Low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -107.6 | 6.2 | -173.7 | -83.6 | 174 | -33.3 | 0 | 0 | 114.5 | ||
| 7 | L | 59.7 | Low | 53.2 | Low | 143 Ų | 143 | 135.5 Ų | 135.5 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -98.1 | 128.9 | 176.9 | -68.4 | 172.8 | 0 | 0 | 0 | 110.6 | ||
| 8 | P | 62.5 | Low | 52.6 | Low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144.9 | 175.8 | 25.3 | -31.4 | 0 | 0 | 0 | 110.4 | ||
| 9 | A | 64.7 | Low | 51.9 | Low | 84 Ų | 84 | 138.2 Ų | 138.2 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 139.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I11 | A9-I11 PolarHBondContact O-N 2.85Å; A9-I11 VanDerWaalsContact O-N 3.09Å |
| 10 | P | 58.8 | Low | 50.9 | Low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -65 | 115.9 | 179.3 | 27.3 | -32.5 | 0 | 0 | 0 | 109.2 | Q12 | P10-Q12 PolarHBondContact O-N 2.85Å; P10-Q12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | I | 61.8 | Low | 50.2 | Low | 154 Ų | 154 | 134 Ų | 134 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -75.5 | 96.6 | 170.5 | -59.4 | 169.3 | 0 | 0 | 0 | 106.5 | A9 K13 | A9-I11 PolarHBondContact O-N 2.85Å; A9-I11 VanDerWaalsContact O-N 3.09Å; I11-K13 HydrophobicContact CG2-CG 4.35Å; I11-K13 PolarHBondContact O-N 3.46Å; I11-K13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | Q | 46.6 | Very low | 49.8 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -69.2 | 98.9 | 163.1 | -78.9 | -175.5 | -17.7 | 0 | 0 | 107.9 | P10 G14 | P10-Q12 PolarHBondContact O-N 2.85Å; P10-Q12 VanDerWaalsContact O-N 3.08Å; Q12-G14 PolarHBondContact O-N 2.85Å | ||
| 13 | K | 50.5 | Low | 49.3 | Very low | 189 Ų | 189 | 133 Ų | 133 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -76.8 | 100.1 | 152.2 | -76.1 | -171.2 | 176.9 | -176 | 0 | 105.7 | I11 S15 | I11-K13 HydrophobicContact CG2-CG 4.35Å; I11-K13 PolarHBondContact O-N 3.46Å; I11-K13 VanDerWaalsContact O-N 3.09Å; K13-S15 PolarHBondContact O-N 2.89Å; K13-S15 VanDerWaalsContact O-N 3.08Å | ||
| 14 | G | 38.5 | Very low | 48.4 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | -54.7 | 114.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | Q12 D16 | Q12-G14 PolarHBondContact O-N 2.85Å; G14-D16 PolarHBondContact O-N 3.39Å | ||
| 15 | S | 40.5 | Very low | 47.6 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -91.1 | 64.9 | 163.2 | 59.6 | 0 | 0 | 0 | 0 | 106.9 | K13 | K13-S15 PolarHBondContact O-N 2.89Å; K13-S15 VanDerWaalsContact O-N 3.08Å | ||
| 16 | D | 37.8 | Very low | 46.4 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -92.9 | 138.9 | 166.2 | -70.2 | -26.7 | 0 | 0 | 0 | 107.7 | G14 | G14-D16 PolarHBondContact O-N 3.39Š| ||
| 17 | D | 42.1 | Very low | 45.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | trans | 88.3 | 74.6 | 165 | -53 | -17.3 | 0 | 0 | 0 | 118.9 | G19 | D17-G19 PolarHBondContact O-N 3.48Š| ||
| 18 | Y | 42.4 | Very low | 44.5 | Very low | 249 Ų | 249 | 131.3 Ų | 131.3 | 98% | 0.976 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -72.5 | 94.4 | 139 | -73.2 | -83.4 | 0 | 0 | 0 | 108.2 | ||
| 19 | G | 39.1 | Very low | 43.6 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 126.6 | 55.2 | 166 | 0 | 0 | 0 | 0 | 0 | 116 | D17 | D17-G19 PolarHBondContact O-N 3.48Š| ||
| 20 | T | 32.3 | Very low | 42.7 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | trans | -123.4 | 104.1 | 160.8 | 31.6 | 0 | 0 | 0 | 0 | 109.1 | L22 | T20-L22 PolarHBondContact O-N 3.41Š| ||
| 21 | A | 36.1 | Very low | 42.1 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -58.8 | 105.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | N23 | A21-N23 PolarHBondContact O-N 2.99Š| ||
| 22 | L | 37.3 | Very low | 41.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -67.7 | 102.1 | 170.6 | -72.9 | 170.3 | 0 | 0 | 0 | 108.2 | T20 L24 | T20-L22 PolarHBondContact O-N 3.41Å; L22-L24 PolarHBondContact O-N 2.76Å | ||
| 23 | N | 34.4 | Very low | 41.8 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -57.7 | 99.1 | 161.8 | -81.4 | -34.5 | 0 | 0 | 0 | 108.4 | A21 N25 | A21-N23 PolarHBondContact O-N 2.99Å; N23-N25 PolarHBondContact O-N 2.82Å | ||
| 24 | L | 41.8 | Very low | 42.1 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 113.3 | 172.8 | -89.2 | 155.4 | 0 | 0 | 0 | 109.2 | L22 V26 | L22-L24 PolarHBondContact O-N 2.76Å; L24-V26 PolarHBondContact O-N 3.4Å | ||
| 25 | N | 42.4 | Very low | 43 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -48.5 | 126.4 | 172.4 | -156.1 | 4.5 | 0 | 0 | 0 | 111 | N23 G27 | N23-N25 PolarHBondContact O-N 2.82Å; N25-G27 PolarHBondContact O-N 2.9Å; N25-G27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | V | 41.6 | Very low | 44.4 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -73.9 | 99.8 | 179.7 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | L24 | L24-V26 PolarHBondContact O-N 3.4Š|
| 27 | G | 40.9 | Very low | 46.5 | Very low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | trans | -179.9 | 113.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | N25 | N25-G27 PolarHBondContact O-N 2.9Å; N25-G27 VanDerWaalsContact O-N 3.13Å | ||
| 28 | S | 42.8 | Very low | 48.5 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | 81.9 | 116.9 | -178.5 | 82.8 | 0 | 0 | 0 | 0 | 116.2 | V30 | S28-V30 PolarHBondContact O-N 2.97Š| ||
| 29 | R | 43.8 | Very low | 50.5 | Low | 247 Ų | 247 | 117.2 Ų | 117.2 | 93% | 0.932 | 69% | 0.694 | S | S | * | * | trans | -83.8 | 84.3 | -178.4 | -150.7 | -179.9 | -171.9 | 176.9 | 1.5 | 108.2 | ||||
| 30 | V | 45.7 | Very low | 52.8 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | trans | -84.6 | 116.4 | 172.3 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | S28 V32 | S28-V30 PolarHBondContact O-N 2.97Å; V30-V32 PolarHBondContact O-N 3.17Å; V30-V32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | L | 45.8 | Very low | 55.3 | Low | 164 Ų | 164 | 120.5 Ų | 120.5 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | trans | -69.8 | 103.5 | 174.1 | -67.2 | 169.4 | 0 | 0 | 0 | 109.1 | A33 | L31-A33 PolarHBondContact O-N 3.31Š| ||
| 32 | V | 49.2 | Very low | 57.6 | Low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | trans | -76.8 | 107.8 | 168 | 179 | 0 | 0 | 0 | 0 | 107.7 | V30 K34 | V30-V32 PolarHBondContact O-N 3.17Å; V30-V32 VanDerWaalsContact O-N 3.16Å; V32-K34 PolarHBondContact O-N 3.43Å | ||
| 33 | A | 53.9 | Low | 59.9 | Low | 96 Ų | 96 | 117.7 Ų | 117.7 | 79% | 0.793 | 66% | 0.655 | S | S | * | * | trans | -65.6 | 105.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L31 S35 | L31-A33 PolarHBondContact O-N 3.31Å; A33-S35 PolarHBondContact O-N 3.09Å; A33-S35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | K | 54.8 | Low | 62.1 | Low | 185 Ų | 185 | 119 Ų | 119 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | -66.2 | 109.4 | 174.3 | -157.6 | 172.2 | -173.6 | 177.9 | 0 | 107.6 | V32 T36 | V32-K34 PolarHBondContact O-N 3.43Å; K34-T36 PolarHBondContact O-N 3.04Å | ||
| 35 | S | 58.8 | Low | 64 | Low | 47 Ų | 47 | 119.4 Ų | 119.4 | 33% | 0.329 | 66% | 0.656 | S | S | . | * | trans | -62.3 | 105.6 | 173.3 | 52 | 0 | 0 | 0 | 0 | 108.5 | A33 E52 | A33-S35 PolarHBondContact O-N 3.09Å; A33-S35 VanDerWaalsContact O-N 3.12Å; S35-E52 PolarHBondContact OG-O 3.08Å | ||
| 36 | T | 69.3 | Low | 66.1 | Low | 112 Ų | 112 | 114.7 Ų | 114.7 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 116.1 | 175.1 | 54.1 | 0 | 0 | 0 | 0 | 108.8 | K34 P38 | K34-T36 PolarHBondContact O-N 3.04Å; T36-P38 WeakPolarHBondContact O-CD 3.41Å |
| 37 | I | 81.9 | Confident | 68.4 | Low | 43 Ų | 43 | 110.8 Ų | 110.8 | 22% | 0.221 | 60% | 0.603 | C | S | . | * | P | Polyproline II helix | trans | -63.6 | 124.7 | 172.5 | -60 | 173.6 | 0 | 0 | 0 | 108.4 | W46 D53 L55 F60 | I37-W46 HydrophobicContact CB-CH2 4.44Å; I37-W46 HydrophobicContact CG1-CH2 4.2Å; I37-W46 HydrophobicContact CG1-CZ2 4.46Å; I37-W46 HydrophobicContact CG2-CH2 3.92Å; I37-W46 HydrophobicContact CG2-CZ3 4.11Å; I37-D53 WeakPolarHBondContact CG1-O 3.42Å; I37-L55 HydrophobicContact CB-CD1 4.45Å; I37-L55 HydrophobicContact CD1-CB 3.73Å; I37-L55 HydrophobicContact CD1-CD1 3.49Å; I37-L55 VanDerWaalsContact CD1-CD1 3.49Å; I37-L55 HydrophobicContact CD1-CG 3.5Å; I37-L55 VanDerWaalsContact CD1-CG 3.5Å; I37-L55 HydrophobicContact CG1-CD1 3.64Å; I37-L55 HydrophobicContact CG1-CG 3.79Å; I37-F60 HydrophobicContact CD1-CZ 4.18Å; I37-F60 HydrophobicContact CG2-CE1 4.16Å; I37-F60 HydrophobicContact CG2-CZ 3.78Å |
| 38 | P | 84.2 | Confident | 70.6 | Confident | 27 Ų | 27 | 108.4 Ų | 108.4 | 18% | 0.175 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -60.5 | 137.4 | 172.1 | -20.8 | 32.2 | 0 | 0 | 0 | 110.4 | T36 H42 R43 W46 | T36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-H42 HydrophobicContact CB-CB 4.17Å; P38-R43 HydrophobicContact CB-CG 3.97Å; P38-R43 WeakPolarHBondContact O-CG 3.38Å; P38-R43 PolarHBondContact O-NE 3.32Å; P38-R43 PolarHBondContact O-NH2 3.28Å; P38-W46 HydrophobicContact CG-CB 4.06Å; P38-W46 HydrophobicContact CG-CD2 4Å; P38-W46 HydrophobicContact CG-CE3 4.38Å; P38-W46 HydrophobicContact CG-CG 3.85Å |
| 39 | P | 85.7 | Confident | 72.6 | Confident | 84 Ų | 84 | 113.4 Ų | 113.4 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 160.9 | 177.8 | 24.1 | -31.7 | 0 | 0 | 0 | 111.5 | G41 H42 | P39-G41 PolarHBondContact O-N 3.04Å; P39-H42 HydrophobicContact CG-CB 4.39Å; P39-H42 PolarHBondContact O-N 2.86Å |
| 40 | Y | 86.3 | Confident | 74.7 | Confident | 184 Ų | 184 | 106.5 Ų | 106.5 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 132.2 | 176.4 | -177.9 | -107.6 | 0 | 0 | 0 | 110.5 | ||
| 41 | G | 84.2 | Confident | 76.7 | Confident | 52 Ų | 52 | 105 Ų | 105 | 54% | 0.536 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -23.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | P39 | P39-G41 PolarHBondContact O-N 3.04Š|
| 42 | H | 86 | Confident | 78.6 | Confident | 145 Ų | 145 | 104 Ų | 104 | 67% | 0.671 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -105.7 | 13 | -179.7 | -67.8 | -80.3 | 0 | 0 | 0 | 114.2 | P38 P39 | P38-H42 HydrophobicContact CB-CB 4.17Å; P39-H42 HydrophobicContact CG-CB 4.39Å; P39-H42 PolarHBondContact O-N 2.86Å |
| 43 | R | 84.1 | Confident | 80.5 | Confident | 42 Ų | 42 | 99.2 Ų | 99.2 | 16% | 0.158 | 51% | 0.506 | C | S | . | . | trans | -93.7 | 3.4 | -175 | -67 | 170.2 | -175.7 | 161.9 | -1.9 | 115.2 | P38 N45 W46 E62 I63 | P38-R43 HydrophobicContact CB-CG 3.97Å; P38-R43 WeakPolarHBondContact O-CG 3.38Å; P38-R43 PolarHBondContact O-NE 3.32Å; P38-R43 PolarHBondContact O-NH2 3.28Å; R43-N45 PolarHBondContact O-N 3.18Å; R43-W46 HydrophobicContact CB-CE3 4.5Å; R43-W46 HydrophobicContact CG-CE3 4.15Å; R43-W46 PolarHBondContact O-N 3.18Å; R43-W46 VanDerWaalsContact O-N 3.14Å; R43-E62 WeakPolarHBondContact CD-OE1 3.43Å; R43-E62 IonicContact CZ-OE1 2.77Å; R43-E62 IonicContact NE-OE1 3.83Å; R43-E62 IonicContact NH1-OE1 2.97Å; R43-E62 PolarHBondContact NH1-OE1 2.62Å; R43-I63 HydrophobicContact CB-CD1 4.46Å | ||
| 44 | K | 80.4 | Confident | 82.1 | Confident | 194 Ų | 194 | 95 Ų | 95 | 84% | 0.843 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.6 | -171.1 | -73.3 | -175 | 176 | -179.8 | 0 | 115.4 | ||
| 45 | N | 83.2 | Confident | 83.5 | Confident | 168 Ų | 168 | 91.2 Ų | 91.2 | 90% | 0.898 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | 18.5 | 179.9 | -63.7 | -22.9 | 0 | 0 | 0 | 113.2 | R43 | R43-N45 PolarHBondContact O-N 3.18Š|
| 46 | W | 86.6 | Confident | 84.7 | Confident | 56 Ų | 56 | 97.1 Ų | 97.1 | 21% | 0.212 | 49% | 0.486 | C | S | . | . | trans | -118.8 | 135.1 | -179.2 | 176.4 | 78.8 | 0 | 0 | 0 | 109.1 | I37 P38 R43 P48 D53 F60 I63 | I37-W46 HydrophobicContact CB-CH2 4.44Å; I37-W46 HydrophobicContact CG1-CH2 4.2Å; I37-W46 HydrophobicContact CG1-CZ2 4.46Å; I37-W46 HydrophobicContact CG2-CH2 3.92Å; I37-W46 HydrophobicContact CG2-CZ3 4.11Å; P38-W46 HydrophobicContact CG-CB 4.06Å; P38-W46 HydrophobicContact CG-CD2 4Å; P38-W46 HydrophobicContact CG-CE3 4.38Å; P38-W46 HydrophobicContact CG-CG 3.85Å; R43-W46 HydrophobicContact CB-CE3 4.5Å; R43-W46 HydrophobicContact CG-CE3 4.15Å; R43-W46 PolarHBondContact O-N 3.18Å; R43-W46 VanDerWaalsContact O-N 3.14Å; W46-P48 HydrophobicContact CH2-CB 4.14Å; W46-P48 HydrophobicContact CZ2-CB 4.39Å; W46-D53 WeakPolarHBondContact CH2-O 3.44Å; W46-D53 HydrophobicContact CZ2-CB 4.05Å; W46-F60 HydrophobicContact CH2-CD2 4.11Å; W46-F60 AromaticContact CH2-CE2 3.44Å; W46-F60 HydrophobicContact CH2-CE2 3.44Å; W46-F60 VanDerWaalsContact CH2-CE2 3.44Å; W46-F60 AromaticContact CH2-CZ 3.98Å; W46-F60 HydrophobicContact CH2-CZ 3.98Å; W46-F60 AromaticContact CZ3-CD2 3.61Å; W46-F60 HydrophobicContact CZ3-CD2 3.61Å; W46-F60 AromaticContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CG 4.38Å; W46-F60 AromaticContact CZ3-CZ 3.96Å; W46-F60 HydrophobicContact CZ3-CZ 3.96Å; W46-I63 HydrophobicContact CE3-CD1 3.82Å; W46-I63 HydrophobicContact CZ3-CD1 4.06Å; W46-I63 VanDerWaalsContact O-CD1 3.26Å; W46-I63 WeakPolarHBondContact O-CD1 3.46Å | ||
| 47 | V | 88.4 | Confident | 85.6 | Confident | 66 Ų | 66 | 92.9 Ų | 92.9 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | trans | -133.2 | 120.8 | -178.6 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | R49 I63 V65 | V47-R49 PolarHBondContact O-N 2.86Å; V47-I63 HydrophobicContact CG1-CG2 4.38Å; V47-I63 HydrophobicContact CG2-CG2 4.32Å; V47-V65 HydrophobicContact CG1-CB 4.44Å; V47-V65 HydrophobicContact CG1-CG1 4.4Å; V47-V65 HydrophobicContact CG1-CG2 4.18Å | ||
| 48 | P | 87.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 92.9 Ų | 92.9 | 5% | 0.052 | 48% | 0.475 | C | S | . | . | trans | -71.4 | 129.7 | 175.1 | 31.6 | -36.3 | 0 | 0 | 0 | 109.9 | W46 D53 F54 F60 Q67 | W46-P48 HydrophobicContact CH2-CB 4.14Å; W46-P48 HydrophobicContact CZ2-CB 4.39Å; P48-D53 HydrophobicContact CB-CB 3.52Å; P48-F54 HydrophobicContact CB-CD1 4.07Å; P48-F54 HydrophobicContact CB-CE1 3.51Å; P48-F54 HydrophobicContact CB-CE2 4.35Å; P48-F54 HydrophobicContact CB-CZ 3.66Å; P48-F54 HydrophobicContact CG-CD1 4.31Å; P48-F54 HydrophobicContact CG-CE1 3.45Å; P48-F54 VanDerWaalsContact CG-CE1 3.45Å; P48-F54 HydrophobicContact CG-CZ 3.8Å; P48-F60 HydrophobicContact CG-CD2 4.07Å; P48-F60 HydrophobicContact CG-CE2 4.39Å; P48-Q67 HydrophobicContact CG-CG 3.91Å | ||
| 49 | R | 86 | Confident | 86.2 | Confident | 217 Ų | 217 | 94.1 Ų | 94.1 | 82% | 0.819 | 49% | 0.487 | S | S | * | . | trans | -116.7 | -34.5 | 178.5 | -67.5 | -176.3 | 175.9 | -179.5 | -0.9 | 112.2 | V47 D53 | V47-R49 PolarHBondContact O-N 2.86Å; R49-D53 PolarHBondContact N-OD2 3.28Å | ||
| 50 | N | 87.6 | Confident | 86.4 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -107.7 | 160.9 | -176.6 | -65.4 | -18.9 | 0 | 0 | 0 | 111 | E52 D53 | N50-E52 PolarHBondContact O-N 3.28Å; N50-D53 PolarHBondContact N-OD2 3.02Å; N50-D53 WeakPolarHBondContact O-CB 3.39Å; N50-D53 PolarHBondContact O-N 3.21Å; N50-D53 VanDerWaalsContact O-N 3.07Å |
| 51 | Q | 86.4 | Confident | 86.6 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -60.2 | -29.9 | 176.4 | -175.1 | 53.8 | 40.8 | 0 | 0 | 112.4 | D53 F54 L70 | Q51-D53 VanDerWaalsContact C-N 3.28Å; Q51-D53 PolarHBondContact O-N 2.84Å; Q51-F54 PolarHBondContact O-N 3.14Å; Q51-L70 VanDerWaalsContact CD-N 3.27Å |
| 52 | E | 87.1 | Confident | 86.9 | Confident | 144 Ų | 144 | 88.1 Ų | 88.1 | 67% | 0.673 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -69.8 | -21.8 | 178.4 | -61.7 | 176.5 | 180 | 0 | 0 | 113.3 | S35 N50 F54 L55 | S35-E52 PolarHBondContact OG-O 3.08Å; N50-E52 PolarHBondContact O-N 3.28Å; E52-F54 PolarHBondContact O-N 3.39Å; E52-L55 PolarHBondContact O-N 2.9Å |
| 53 | D | 88.1 | Confident | 87 | Confident | 31 Ų | 31 | 82 Ų | 82 | 17% | 0.166 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -72 | -18.9 | 179.3 | -64.4 | -34.5 | 0 | 0 | 0 | 112.2 | I37 W46 P48 R49 N50 Q51 | I37-D53 WeakPolarHBondContact CG1-O 3.42Å; W46-D53 WeakPolarHBondContact CH2-O 3.44Å; W46-D53 HydrophobicContact CZ2-CB 4.05Å; P48-D53 HydrophobicContact CB-CB 3.52Å; R49-D53 PolarHBondContact N-OD2 3.28Å; N50-D53 PolarHBondContact N-OD2 3.02Å; N50-D53 WeakPolarHBondContact O-CB 3.39Å; N50-D53 PolarHBondContact O-N 3.21Å; N50-D53 VanDerWaalsContact O-N 3.07Å; Q51-D53 VanDerWaalsContact C-N 3.28Å; Q51-D53 PolarHBondContact O-N 2.84Å |
| 54 | F | 87.7 | Confident | 87.3 | Confident | 9 Ų | 9 | 88.6 Ų | 88.6 | 4% | 0.039 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -89 | -8 | 177.3 | -55.7 | -69.3 | 0 | 0 | 0 | 113.1 | P48 Q51 E52 D56 G57 G58 F60 Q67 P69 | P48-F54 HydrophobicContact CB-CD1 4.07Å; P48-F54 HydrophobicContact CB-CE1 3.51Å; P48-F54 HydrophobicContact CB-CE2 4.35Å; P48-F54 HydrophobicContact CB-CZ 3.66Å; P48-F54 HydrophobicContact CG-CD1 4.31Å; P48-F54 HydrophobicContact CG-CE1 3.45Å; P48-F54 VanDerWaalsContact CG-CE1 3.45Å; P48-F54 HydrophobicContact CG-CZ 3.8Å; Q51-F54 PolarHBondContact O-N 3.14Å; E52-F54 PolarHBondContact O-N 3.39Å; F54-D56 PolarHBondContact O-N 2.7Å; F54-G57 WeakPolarHBondContact O-CA 3.47Å; F54-G57 PolarHBondContact O-N 3.14Å; F54-G58 VanDerWaalsContact CD1-O 3.22Å; F54-G58 WeakPolarHBondContact CD1-O 3.43Å; F54-F60 AromaticContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CE1-CE2 4.38Å; F54-Q67 HydrophobicContact CE1-CB 3.94Å; F54-Q67 HydrophobicContact CE1-CG 4.07Å; F54-Q67 HydrophobicContact CZ-CB 3.89Å; F54-Q67 HydrophobicContact CZ-CG 4.12Å; F54-P69 HydrophobicContact CB-CB 4.41Å; F54-P69 HydrophobicContact CD1-CG 3.91Å; F54-P69 HydrophobicContact CD2-CB 4.29Å; F54-P69 HydrophobicContact CD2-CG 4.31Å; F54-P69 HydrophobicContact CE1-CG 4.07Å; F54-P69 HydrophobicContact CE2-CG 4.48Å; F54-P69 HydrophobicContact CG-CB 4.17Å; F54-P69 HydrophobicContact CG-CG 4.02Å; F54-P69 HydrophobicContact CZ-CG 4.37Å |
| 55 | L | 85.6 | Confident | 87.7 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | -106.8 | -171.8 | -62.1 | 179.6 | 0 | 0 | 0 | 112.3 | I37 E52 G57 | I37-L55 HydrophobicContact CB-CD1 4.45Å; I37-L55 HydrophobicContact CD1-CB 3.73Å; I37-L55 HydrophobicContact CD1-CD1 3.49Å; I37-L55 VanDerWaalsContact CD1-CD1 3.49Å; I37-L55 HydrophobicContact CD1-CG 3.5Å; I37-L55 VanDerWaalsContact CD1-CG 3.5Å; I37-L55 HydrophobicContact CG1-CD1 3.64Å; I37-L55 HydrophobicContact CG1-CG 3.79Å; E52-L55 PolarHBondContact O-N 2.9Å; L55-G57 PolarHBondContact O-N 3.02Å |
| 56 | D | 84.1 | Confident | 88 | Confident | 171 Ų | 171 | 79 Ų | 79 | 91% | 0.914 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 6.9 | 179.3 | -160.5 | 33.9 | 0 | 0 | 0 | 113.2 | F54 | F54-D56 PolarHBondContact O-N 2.7Š|
| 57 | G | 86.8 | Confident | 88.2 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 25% | 0.247 | 42% | 0.419 | C | S | . | . | trans | 99.2 | -169.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F54 L55 | F54-G57 WeakPolarHBondContact O-CA 3.47Å; F54-G57 PolarHBondContact O-N 3.14Å; L55-G57 PolarHBondContact O-N 3.02Å | ||
| 58 | G | 87.9 | Confident | 88.4 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 44% | 0.443 | 42% | 0.417 | S | S | . | . | trans | 91.1 | 131.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F54 P69 | F54-G58 VanDerWaalsContact CD1-O 3.22Å; F54-G58 WeakPolarHBondContact CD1-O 3.43Å; G58-P69 VanDerWaalsContact C-CG 3.49Å | ||
| 59 | A | 91.2 | Very high | 88.6 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | trans | -92.6 | 147.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P61 Q67 P69 | A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.43Å; A59-Q67 HydrophobicContact CB-CB 3.87Å; A59-P69 HydrophobicContact CB-CG 4.07Å | ||
| 60 | F | 90.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 8% | 0.075 | 42% | 0.416 | C | S | . | . | trans | -96.7 | 103.6 | -178.2 | -55.3 | -66.5 | 0 | 0 | 0 | 110 | I37 W46 P48 F54 E62 I63 Q67 | I37-F60 HydrophobicContact CD1-CZ 4.18Å; I37-F60 HydrophobicContact CG2-CE1 4.16Å; I37-F60 HydrophobicContact CG2-CZ 3.78Å; W46-F60 HydrophobicContact CH2-CD2 4.11Å; W46-F60 AromaticContact CH2-CE2 3.44Å; W46-F60 HydrophobicContact CH2-CE2 3.44Å; W46-F60 VanDerWaalsContact CH2-CE2 3.44Å; W46-F60 AromaticContact CH2-CZ 3.98Å; W46-F60 HydrophobicContact CH2-CZ 3.98Å; W46-F60 AromaticContact CZ3-CD2 3.61Å; W46-F60 HydrophobicContact CZ3-CD2 3.61Å; W46-F60 AromaticContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CE2 3.38Å; W46-F60 HydrophobicContact CZ3-CG 4.38Å; W46-F60 AromaticContact CZ3-CZ 3.96Å; W46-F60 HydrophobicContact CZ3-CZ 3.96Å; P48-F60 HydrophobicContact CG-CD2 4.07Å; P48-F60 HydrophobicContact CG-CE2 4.39Å; F54-F60 AromaticContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CD1-CE2 3.96Å; F54-F60 HydrophobicContact CE1-CE2 4.38Å; F60-E62 PolarHBondContact O-N 2.85Å; F60-I63 HydrophobicContact CB-CB 4.32Å; F60-I63 HydrophobicContact CB-CD1 3.77Å; F60-I63 HydrophobicContact CB-CG1 3.99Å; F60-I63 HydrophobicContact CD2-CD1 4.06Å; F60-I63 HydrophobicContact CG-CD1 4.17Å; F60-I63 PolarHBondContact O-N 3.42Å; F60-Q67 PolarHBondContact O-NE2 3.48Å | ||
| 61 | P | 90.3 | Very high | 88.8 | Confident | 111 Ų | 111 | 71.7 Ų | 71.7 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.8 | -176.3 | 26.9 | -36 | 0 | 0 | 0 | 113.5 | A59 I63 | A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.43Å; P61-I63 PolarHBondContact O-N 3.46Å |
| 62 | E | 89.7 | Confident | 89 | Confident | 66 Ų | 66 | 73.7 Ų | 73.7 | 31% | 0.308 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.5 | 174.1 | 66.7 | -84.5 | -161 | 0 | 0 | 113.8 | R43 F60 | R43-E62 WeakPolarHBondContact CD-OE1 3.43Å; R43-E62 IonicContact CZ-OE1 2.77Å; R43-E62 IonicContact NE-OE1 3.83Å; R43-E62 IonicContact NH1-OE1 2.97Å; R43-E62 PolarHBondContact NH1-OE1 2.62Å; F60-E62 PolarHBondContact O-N 2.85Å |
| 63 | I | 88.6 | Confident | 89 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 8% | 0.082 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -102.3 | 106.6 | 175.4 | -56.9 | 174.1 | 0 | 0 | 0 | 107.8 | R43 W46 V47 F60 P61 V65 Q67 | R43-I63 HydrophobicContact CB-CD1 4.46Å; W46-I63 HydrophobicContact CE3-CD1 3.82Å; W46-I63 HydrophobicContact CZ3-CD1 4.06Å; W46-I63 VanDerWaalsContact O-CD1 3.26Å; W46-I63 WeakPolarHBondContact O-CD1 3.46Å; V47-I63 HydrophobicContact CG1-CG2 4.38Å; V47-I63 HydrophobicContact CG2-CG2 4.32Å; F60-I63 HydrophobicContact CB-CB 4.32Å; F60-I63 HydrophobicContact CB-CD1 3.77Å; F60-I63 HydrophobicContact CB-CG1 3.99Å; F60-I63 HydrophobicContact CD2-CD1 4.06Å; F60-I63 HydrophobicContact CG-CD1 4.17Å; F60-I63 PolarHBondContact O-N 3.42Å; P61-I63 PolarHBondContact O-N 3.46Å; I63-V65 HydrophobicContact CG2-CB 4.29Å; I63-V65 HydrophobicContact CG2-CG2 4.24Å; I63-V65 PolarHBondContact O-N 2.91Å; I63-Q67 PolarHBondContact O-NE2 2.88Å |
| 64 | H | 89.7 | Confident | 89.1 | Confident | 181 Ų | 181 | 73.6 Ų | 73.6 | 84% | 0.838 | 43% | 0.428 | S | S | * | . | trans | -77.8 | 53.3 | -175.5 | -63.8 | -90.1 | 0 | 0 | 0 | 113.4 | ||||
| 65 | V | 89 | Confident | 89.2 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 40% | 0.4 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -129.9 | 141.8 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 107.9 | V47 I63 Q67 | V47-V65 HydrophobicContact CG1-CB 4.44Å; V47-V65 HydrophobicContact CG1-CG1 4.4Å; V47-V65 HydrophobicContact CG1-CG2 4.18Å; I63-V65 HydrophobicContact CG2-CB 4.29Å; I63-V65 HydrophobicContact CG2-CG2 4.24Å; I63-V65 PolarHBondContact O-N 2.91Å; V65-Q67 WeakPolarHBondContact O-CG 3.33Å; V65-Q67 PolarHBondContact O-N 3.39Å; V65-Q67 PolarHBondContact O-NE2 3.05Å |
| 66 | P | 90 | Very high | 89.3 | Confident | 94 Ų | 94 | 85.2 Ų | 85.2 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | trans | -60.2 | 120.5 | 173.7 | 24.1 | -34.2 | 0 | 0 | 0 | 110.7 | Y68 | P66-Y68 HydrophobicContact CB-CE2 3.97Š| ||
| 67 | Q | 91.2 | Very high | 89.6 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 11% | 0.112 | 47% | 0.472 | C | S | . | . | trans | -121.1 | 130 | -176.9 | -71.2 | 163.9 | 65.9 | 0 | 0 | 108.6 | P48 F54 A59 F60 I63 V65 P69 | P48-Q67 HydrophobicContact CG-CG 3.91Å; F54-Q67 HydrophobicContact CE1-CB 3.94Å; F54-Q67 HydrophobicContact CE1-CG 4.07Å; F54-Q67 HydrophobicContact CZ-CB 3.89Å; F54-Q67 HydrophobicContact CZ-CG 4.12Å; A59-Q67 HydrophobicContact CB-CB 3.87Å; F60-Q67 PolarHBondContact O-NE2 3.48Å; I63-Q67 PolarHBondContact O-NE2 2.88Å; V65-Q67 WeakPolarHBondContact O-CG 3.33Å; V65-Q67 PolarHBondContact O-N 3.39Å; V65-Q67 PolarHBondContact O-NE2 3.05Å; Q67-P69 VanDerWaalsContact C-CD 3.46Å; Q67-P69 WeakPolarHBondContact O-CD 3.39Å | ||
| 68 | Y | 91.9 | Very high | 89.7 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | trans | -126.3 | 69 | -175.9 | -52.9 | -66.4 | 0 | 0 | 0 | 111.6 | P66 L70 G71 M72 G73 Q74 | P66-Y68 HydrophobicContact CB-CE2 3.97Å; Y68-L70 PolarHBondContact O-N 2.8Å; Y68-G71 PolarHBondContact O-N 2.85Å; Y68-M72 VanDerWaalsContact CD1-O 3.27Å; Y68-M72 WeakPolarHBondContact CD1-O 2.98Å; Y68-G73 WeakPolarHBondContact CE1-O 2.76Å; Y68-Q74 HydrophobicContact CD1-CG 4Å; Y68-Q74 HydrophobicContact CD2-CG 3.62Å; Y68-Q74 HydrophobicContact CE1-CG 4.44Å; Y68-Q74 HydrophobicContact CE2-CG 4.1Å; Y68-Q74 HydrophobicContact CG-CG 3.54Å | ||
| 69 | P | 91.3 | Very high | 89.8 | Confident | 19 Ų | 19 | 93.4 Ų | 93.4 | 12% | 0.123 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -53.2 | 131.3 | 171.2 | -18.6 | 28.3 | 0 | 0 | 0 | 110.2 | F54 G58 A59 Q67 G71 M72 | F54-P69 HydrophobicContact CB-CB 4.41Å; F54-P69 HydrophobicContact CD1-CG 3.91Å; F54-P69 HydrophobicContact CD2-CB 4.29Å; F54-P69 HydrophobicContact CD2-CG 4.31Å; F54-P69 HydrophobicContact CE1-CG 4.07Å; F54-P69 HydrophobicContact CE2-CG 4.48Å; F54-P69 HydrophobicContact CG-CB 4.17Å; F54-P69 HydrophobicContact CG-CG 4.02Å; F54-P69 HydrophobicContact CZ-CG 4.37Å; G58-P69 VanDerWaalsContact C-CG 3.49Å; A59-P69 HydrophobicContact CB-CG 4.07Å; Q67-P69 VanDerWaalsContact C-CD 3.46Å; Q67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-G71 PolarHBondContact O-N 3.19Å; P69-M72 WeakPolarHBondContact O-CB 3.3Å; P69-M72 PolarHBondContact O-N 3.14Å; P69-M72 VanDerWaalsContact O-N 3.14Å |
| 70 | L | 89.5 | Confident | 89.9 | Confident | 140 Ų | 140 | 99.1 Ų | 99.1 | 73% | 0.733 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | 59.2 | 22.9 | -177.4 | -57.7 | 170.1 | 0 | 0 | 0 | 113.6 | Q51 Y68 M72 | Q51-L70 VanDerWaalsContact CD-N 3.27Å; Y68-L70 PolarHBondContact O-N 2.8Å; L70-M72 HydrophobicContact CB-CG 4.31Å; L70-M72 PolarHBondContact O-N 3.33Å |
| 71 | G | 89.1 | Confident | 89.9 | Confident | 23 Ų | 23 | 101.9 Ų | 101.9 | 24% | 0.237 | 56% | 0.559 | C | S | . | * | G | 310 helix | trans | 66.6 | 12.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y68 P69 G73 | Y68-G71 PolarHBondContact O-N 2.85Å; P69-G71 PolarHBondContact O-N 3.19Å; G71-G73 PolarHBondContact O-N 3.14Å |
| 72 | M | 90.5 | Very high | 89.9 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 60% | 0.601 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 127.5 | 179.4 | -67.9 | -69.8 | -80.3 | 0 | 0 | 110 | Y68 P69 L70 | Y68-M72 VanDerWaalsContact CD1-O 3.27Å; Y68-M72 WeakPolarHBondContact CD1-O 2.98Å; P69-M72 WeakPolarHBondContact O-CB 3.3Å; P69-M72 PolarHBondContact O-N 3.14Å; P69-M72 VanDerWaalsContact O-N 3.14Å; L70-M72 HydrophobicContact CB-CG 4.31Å; L70-M72 PolarHBondContact O-N 3.33Å |
| 73 | G | 87.4 | Confident | 90 | Very high | 64 Ų | 64 | 103.3 Ų | 103.3 | 66% | 0.66 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.8 | -8.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y68 G71 | Y68-G73 WeakPolarHBondContact CE1-O 2.76Å; G71-G73 PolarHBondContact O-N 3.14Å |
| 74 | Q | 90.1 | Very high | 90.2 | Very high | 108 Ų | 108 | 109 Ų | 109 | 51% | 0.505 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -69.5 | 150.7 | 169 | -66.6 | -175.8 | -17.5 | 0 | 0 | 111 | Y68 K76 | Y68-Q74 HydrophobicContact CD1-CG 4Å; Y68-Q74 HydrophobicContact CD2-CG 3.62Å; Y68-Q74 HydrophobicContact CE1-CG 4.44Å; Y68-Q74 HydrophobicContact CE2-CG 4.1Å; Y68-Q74 HydrophobicContact CG-CG 3.54Å; Q74-K76 PolarHBondContact O-N 2.8Å |
| 75 | E | 89.3 | Confident | 90.4 | Very high | 197 Ų | 197 | 105 Ų | 105 | 92% | 0.921 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123 | 169.6 | -67.8 | -174.8 | 173.4 | 0 | 0 | 109.5 | ||
| 76 | K | 87.7 | Confident | 90.6 | Very high | 160 Ų | 160 | 106.1 Ų | 106.1 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -101 | 146.4 | -179.4 | -63.8 | -177.5 | -178.6 | -179 | 0 | 109.7 | Q74 | Q74-K76 PolarHBondContact O-N 2.8Š|
| 77 | N | 90.2 | Very high | 90.7 | Very high | 152 Ų | 152 | 103.6 Ų | 103.6 | 81% | 0.813 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 142.1 | 168.5 | -66.8 | -28.2 | 0 | 0 | 0 | 110.3 | S79 | N77-S79 PolarHBondContact O-N 2.98Å; N77-S79 VanDerWaalsContact O-N 3.09Å |
| 78 | I | 90 | Very high | 90.8 | Very high | 172 Ų | 172 | 112.3 Ų | 112.3 | 88% | 0.882 | 60% | 0.601 | S | S | * | * | trans | -61.4 | 115.6 | 172.7 | -56.9 | 171.8 | 0 | 0 | 0 | 107.4 | ||||
| 79 | S | 89.7 | Confident | 90.9 | Very high | 86 Ų | 86 | 113.9 Ų | 113.9 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | trans | -120.1 | 141.8 | -177.3 | 70.3 | 0 | 0 | 0 | 0 | 110.7 | N77 A81 | N77-S79 PolarHBondContact O-N 2.98Å; N77-S79 VanDerWaalsContact O-N 3.09Å; S79-A81 PolarHBondContact O-N 3.33Å | ||
| 80 | N | 92.5 | Very high | 90.9 | Very high | 172 Ų | 172 | 115.4 Ų | 115.4 | 92% | 0.92 | 64% | 0.635 | S | S | * | * | trans | -84.7 | 5.2 | 175.2 | -65 | -20.6 | 0 | 0 | 0 | 112.4 | ||||
| 81 | A | 90.7 | Very high | 91 | Very high | 76 Ų | 76 | 117.7 Ų | 117.7 | 63% | 0.628 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 136 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | S79 | S79-A81 PolarHBondContact O-N 3.33Š|
| 82 | L | 90 | Very high | 91.3 | Very high | 102 Ų | 102 | 120.3 Ų | 120.3 | 53% | 0.534 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 141 | 169.1 | -173.3 | 67.7 | 0 | 0 | 0 | 109.4 | I84 E96 | L82-I84 PolarHBondContact O-N 2.81Å; L82-E96 HydrophobicContact CD2-CB 3.9Å |
| 83 | V | 91.8 | Very high | 91.4 | Very high | 105 Ų | 105 | 118.8 Ų | 118.8 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125.5 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | K85 | V83-K85 HydrophobicContact CG1-CG 4.48Å; V83-K85 PolarHBondContact O-N 3.08Å |
| 84 | I | 93.3 | Very high | 91.7 | Very high | 134 Ų | 134 | 123.2 Ų | 123.2 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 117.4 | 173.3 | -57.2 | 174.2 | 0 | 0 | 0 | 107.9 | L82 I92 | L82-I84 PolarHBondContact O-N 2.81Å; I84-I92 HydrophobicContact CG2-CG1 4.42Å; I84-I92 HydrophobicContact CG2-CG2 3.65Å |
| 85 | K | 93.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 118.9 Ų | 118.9 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | trans | -106.3 | 151.8 | 175.7 | -54.8 | -158.7 | -150.4 | 107.8 | 0 | 111 | V83 R93 E96 | V83-K85 HydrophobicContact CG1-CG 4.48Å; V83-K85 PolarHBondContact O-N 3.08Å; K85-R93 WeakPolarHBondContact O-CB 3.04Å; K85-R93 PolarHBondContact O-N 3.27Å; K85-E96 WeakPolarHBondContact CB-OE1 3.49Å; K85-E96 WeakPolarHBondContact CD-OE1 3.45Å; K85-E96 WeakPolarHBondContact CE-OE1 3.32Å; K85-E96 WeakPolarHBondContact CE-OE2 3.09Å; K85-E96 WeakPolarHBondContact CG-OE1 3.14Å; K85-E96 WeakPolarHBondContact CG-OE2 3.36Å; K85-E96 IonicContact NZ-OE1 3.63Å; K85-E96 PolarHBondContact NZ-OE1 3.24Å; K85-E96 IonicContact NZ-OE2 3.92Å; K85-E96 PolarHBondContact NZ-OE2 3.25Å | ||
| 86 | T | 93.8 | Very high | 91.8 | Very high | 88 Ų | 88 | 110.7 Ų | 110.7 | 54% | 0.54 | 57% | 0.57 | S | S | . | * | B | Isolated β-bridge | trans | -108 | 151.6 | 172.7 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | R91 I92 | T86-R91 CarbonylContact C-O 3.48Å; T86-R91 VanDerWaalsContact CA-O 3.28Å; T86-R91 WeakPolarHBondContact CA-O 3.19Å; T86-I92 HydrophobicContact CG2-CG1 4.45Å |
| 87 | D | 90.9 | Very high | 92 | Very high | 42 Ų | 42 | 108.4 Ų | 108.4 | 23% | 0.225 | 56% | 0.564 | C | S | . | * | trans | -80.3 | 174.4 | 171.4 | -151.2 | -14.2 | 0 | 0 | 0 | 110.3 | D89 G90 R91 R93 K111 | D87-D89 PolarHBondContact O-N 3.23Å; D87-D89 VanDerWaalsContact O-N 3.15Å; D87-G90 PolarHBondContact O-N 2.87Å; D87-R91 PolarHBondContact N-O 3.35Å; D87-R93 HydrophobicContact CB-CG 3.99Å; D87-K111 IonicContact OD2-NZ 3.78Å; D87-K111 PolarHBondContact OD2-NZ 3.02Å | ||
| 88 | K | 94.4 | Very high | 92 | Very high | 206 Ų | 206 | 103 Ų | 103 | 90% | 0.896 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.6 | 175.7 | -61.5 | 178.6 | -177.4 | 177 | 0 | 112.5 | G90 | K88-G90 VanDerWaalsContact C-N 3.29Å; K88-G90 PolarHBondContact O-N 3.02Å |
| 89 | D | 92.9 | Very high | 92 | Very high | 124 Ų | 124 | 97.4 Ų | 97.4 | 66% | 0.663 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.6 | 177.9 | -53.3 | -31.9 | 0 | 0 | 0 | 113.5 | D87 R91 | D87-D89 PolarHBondContact O-N 3.23Å; D87-D89 VanDerWaalsContact O-N 3.15Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 3.35Å |
| 90 | G | 91.5 | Very high | 92 | Very high | 52 Ų | 52 | 100.1 Ų | 100.1 | 54% | 0.536 | 51% | 0.507 | S | S | . | . | S | Bend | trans | 78.7 | -2.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D87 K88 | D87-G90 PolarHBondContact O-N 2.87Å; K88-G90 VanDerWaalsContact C-N 3.29Å; K88-G90 PolarHBondContact O-N 3.02Å |
| 91 | R | 92.7 | Very high | 91.9 | Very high | 188 Ų | 188 | 95.3 Ų | 95.3 | 71% | 0.709 | 50% | 0.499 | S | S | * | . | trans | -71 | 139.3 | 176 | -63 | -179.7 | -177.1 | 173.7 | 2.4 | 111 | T86 D87 D89 R93 | T86-R91 CarbonylContact C-O 3.48Å; T86-R91 VanDerWaalsContact CA-O 3.28Å; T86-R91 WeakPolarHBondContact CA-O 3.19Å; D87-R91 PolarHBondContact N-O 3.35Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 3.35Å; R91-R93 PolarHBondContact O-N 3.27Å | ||
| 92 | I | 94.6 | Very high | 92 | Very high | 77 Ų | 77 | 93.5 Ų | 93.5 | 40% | 0.395 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -65 | 130.6 | 175 | -62.8 | 171 | 0 | 0 | 0 | 109.8 | I84 T86 Y94 | I84-I92 HydrophobicContact CG2-CG1 4.42Å; I84-I92 HydrophobicContact CG2-CG2 3.65Å; T86-I92 HydrophobicContact CG2-CG1 4.45Å; I92-Y94 HydrophobicContact CB-CD2 4.33Å; I92-Y94 HydrophobicContact CB-CE2 3.81Å; I92-Y94 HydrophobicContact CG2-CD1 4.2Å; I92-Y94 HydrophobicContact CG2-CD2 4.19Å; I92-Y94 HydrophobicContact CG2-CE1 3.88Å; I92-Y94 HydrophobicContact CG2-CE2 3.88Å; I92-Y94 HydrophobicContact CG2-CG 4.35Å; I92-Y94 WeakPolarHBondContact O-CD2 3.39Å; I92-Y94 PolarHBondContact O-N 3.38Å; I92-Y94 VanDerWaalsContact O-N 3.09Å |
| 93 | R | 92.3 | Very high | 92.1 | Very high | 90 Ų | 90 | 92 Ų | 92 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | trans | -84.7 | 75.9 | -179.4 | -62.7 | -173.3 | 69 | 166.8 | 2.8 | 111.2 | K85 D87 R91 D95 E96 | K85-R93 WeakPolarHBondContact O-CB 3.04Å; K85-R93 PolarHBondContact O-N 3.27Å; D87-R93 HydrophobicContact CB-CG 3.99Å; R91-R93 PolarHBondContact O-N 3.27Å; R93-D95 PolarHBondContact O-N 3.37Å; R93-E96 HydrophobicContact CB-CG 3.97Å; R93-E96 WeakPolarHBondContact O-CG 3.36Å; R93-E96 PolarHBondContact O-N 3.34Å; R93-E96 VanDerWaalsContact O-N 3.15Å | ||
| 94 | Y | 93.4 | Very high | 92.1 | Very high | 157 Ų | 157 | 96.1 Ų | 96.1 | 62% | 0.616 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24 | 173.2 | -63.9 | -72.8 | 0 | 0 | 0 | 113.1 | I92 E96 L97 | I92-Y94 HydrophobicContact CB-CD2 4.33Å; I92-Y94 HydrophobicContact CB-CE2 3.81Å; I92-Y94 HydrophobicContact CG2-CD1 4.2Å; I92-Y94 HydrophobicContact CG2-CD2 4.19Å; I92-Y94 HydrophobicContact CG2-CE1 3.88Å; I92-Y94 HydrophobicContact CG2-CE2 3.88Å; I92-Y94 HydrophobicContact CG2-CG 4.35Å; I92-Y94 WeakPolarHBondContact O-CD2 3.39Å; I92-Y94 PolarHBondContact O-N 3.38Å; I92-Y94 VanDerWaalsContact O-N 3.09Å; Y94-E96 PolarHBondContact O-N 2.7Å; Y94-L97 WeakPolarHBondContact O-CB 2.93Å; Y94-L97 PolarHBondContact O-N 2.83Å; Y94-L97 VanDerWaalsContact O-N 3.09Å |
| 95 | D | 91.5 | Very high | 92.1 | Very high | 18 Ų | 18 | 96.7 Ų | 96.7 | 10% | 0.096 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -55.3 | -21.3 | 173.4 | -52.9 | -15.9 | 0 | 0 | 0 | 113.8 | R93 L97 V98 R99 S110 K111 | R93-D95 PolarHBondContact O-N 3.37Å; D95-L97 PolarHBondContact O-N 3.13Å; D95-V98 PolarHBondContact O-N 3.17Å; D95-V98 VanDerWaalsContact O-N 3.17Å; D95-R99 WeakPolarHBondContact O-CB 3.43Å; D95-R99 VanDerWaalsContact O-CG 3.29Å; D95-R99 WeakPolarHBondContact O-CG 3.23Å; D95-R99 PolarHBondContact O-N 2.77Å; D95-S110 WeakPolarHBondContact OD1-CB 3.47Å; D95-S110 PolarHBondContact OD1-OG 3.36Å; D95-S110 PolarHBondContact OD2-OG 3.47Å; D95-K111 WeakPolarHBondContact OD2-CE 3.33Å; D95-K111 IonicContact OD2-NZ 2.73Å |
| 96 | E | 90.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 97.9 Ų | 97.9 | 12% | 0.117 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.1 | -28.8 | 177.4 | -64.2 | -155.8 | 162.6 | 0 | 0 | 113.1 | L82 K85 R93 Y94 Q100 | L82-E96 HydrophobicContact CD2-CB 3.9Å; K85-E96 WeakPolarHBondContact CB-OE1 3.49Å; K85-E96 WeakPolarHBondContact CD-OE1 3.45Å; K85-E96 WeakPolarHBondContact CE-OE1 3.32Å; K85-E96 WeakPolarHBondContact CE-OE2 3.09Å; K85-E96 WeakPolarHBondContact CG-OE1 3.14Å; K85-E96 WeakPolarHBondContact CG-OE2 3.36Å; K85-E96 IonicContact NZ-OE1 3.63Å; K85-E96 PolarHBondContact NZ-OE1 3.24Å; K85-E96 IonicContact NZ-OE2 3.92Å; K85-E96 PolarHBondContact NZ-OE2 3.25Å; R93-E96 HydrophobicContact CB-CG 3.97Å; R93-E96 WeakPolarHBondContact O-CG 3.36Å; R93-E96 PolarHBondContact O-N 3.34Å; R93-E96 VanDerWaalsContact O-N 3.15Å; Y94-E96 PolarHBondContact O-N 2.7Å; E96-Q100 PolarHBondContact O-N 3.48Å |
| 97 | L | 91.2 | Very high | 92.1 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.6 | -42.1 | 173.6 | -65.5 | 170.9 | 0 | 0 | 0 | 110.9 | Y94 D95 Q100 | Y94-L97 WeakPolarHBondContact O-CB 2.93Å; Y94-L97 PolarHBondContact O-N 2.83Å; Y94-L97 VanDerWaalsContact O-N 3.09Å; D95-L97 PolarHBondContact O-N 3.13Å; L97-Q100 WeakPolarHBondContact O-CB 3.37Å; L97-Q100 PolarHBondContact O-N 3.18Å |
| 98 | V | 91.3 | Very high | 92.2 | Very high | 39 Ų | 39 | 98.7 Ų | 98.7 | 24% | 0.236 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -73.3 | -35.8 | -179.7 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | D95 Q100 I108 P225 | D95-V98 PolarHBondContact O-N 3.17Å; D95-V98 VanDerWaalsContact O-N 3.17Å; V98-Q100 PolarHBondContact O-N 3.18Å; V98-I108 HydrophobicContact CG1-CD1 4.47Å; V98-I108 HydrophobicContact CG1-CG2 3.65Å; V98-P225 HydrophobicContact CB-CG 4.31Å; V98-P225 VanDerWaalsContact CG1-CD 3.47Å; V98-P225 HydrophobicContact CG1-CG 3.38Å; V98-P225 HydrophobicContact CG2-CG 4.01Å |
| 99 | R | 90.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 95.9 Ų | 95.9 | 20% | 0.204 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -7.9 | 179.4 | -72.8 | 168.8 | 176 | -80.7 | -7.9 | 113.5 | D95 G101 H102 K104 R106 I108 | D95-R99 WeakPolarHBondContact O-CB 3.43Å; D95-R99 VanDerWaalsContact O-CG 3.29Å; D95-R99 WeakPolarHBondContact O-CG 3.23Å; D95-R99 PolarHBondContact O-N 2.77Å; R99-G101 PolarHBondContact O-N 3.03Å; R99-H102 WeakPolarHBondContact O-CB 3.46Å; R99-H102 PolarHBondContact O-N 2.73Å; R99-K104 PolarHBondContact NH1-O 3.42Å; R99-R106 PolarHBondContact NH1-O 2.91Å; R99-I108 HydrophobicContact CB-CD1 4.46Å; R99-I108 HydrophobicContact CG-CD1 3.85Å |
| 100 | Q | 89.3 | Confident | 92.3 | Very high | 143 Ų | 143 | 91.4 Ų | 91.4 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 124.2 | 178.3 | -173.9 | 177.6 | 10.6 | 0 | 0 | 110.6 | E96 L97 V98 H102 P222 | E96-Q100 PolarHBondContact O-N 3.48Å; L97-Q100 WeakPolarHBondContact O-CB 3.37Å; L97-Q100 PolarHBondContact O-N 3.18Å; V98-Q100 PolarHBondContact O-N 3.18Å; Q100-H102 VanDerWaalsContact C-N 3.34Å; Q100-P222 WeakPolarHBondContact O-CG 3.3Å |
| 101 | G | 90.1 | Very high | 92.3 | Very high | 72 Ų | 72 | 92.7 Ų | 92.7 | 74% | 0.742 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -3.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | R99 | R99-G101 PolarHBondContact O-N 3.03Š|
| 102 | H | 93.2 | Very high | 92.3 | Very high | 38 Ų | 38 | 90.7 Ų | 90.7 | 18% | 0.176 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -103.7 | 159.8 | 172 | -65 | -61.3 | 0 | 0 | 0 | 111.9 | R99 Q100 R106 I108 | R99-H102 WeakPolarHBondContact O-CB 3.46Å; R99-H102 PolarHBondContact O-N 2.73Å; Q100-H102 VanDerWaalsContact C-N 3.34Å; H102-R106 HydrophobicContact CB-CB 4.25Å; H102-R106 PolarHBondContact CE1-NH1 2.88Å; H102-R106 VanDerWaalsContact CE1-NH1 3.33Å; H102-R106 WeakPolarHBondContact ND1-CD 3.26Å; H102-R106 PolarHBondContact ND1-NH1 2.94Å; H102-R106 VanDerWaalsContact ND1-NH1 3.15Å; H102-I108 HydrophobicContact CB-CD1 4.25Å; H102-I108 WeakPolarHBondContact CD2-CD1 3.48Å |
| 103 | S | 92.5 | Very high | 92.2 | Very high | 69 Ų | 69 | 90.2 Ų | 90.2 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | trans | -65.6 | 153.5 | 168.3 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | D105 R106 | S103-D105 PolarHBondContact O-N 3.12Å; S103-R106 PolarHBondContact O-N 3.31Å; S103-R106 PolarHBondContact OG-N 2.81Å | ||
| 104 | K | 91.5 | Very high | 92.3 | Very high | 193 Ų | 193 | 89.2 Ų | 89.2 | 84% | 0.839 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.7 | 177.7 | -63.8 | 177.7 | -177 | 175.3 | 0 | 111.8 | R99 | R99-K104 PolarHBondContact NH1-O 3.42Š|
| 105 | D | 92.6 | Very high | 92.3 | Very high | 146 Ų | 146 | 85 Ų | 85 | 78% | 0.781 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -11.9 | -175.2 | -44.9 | -36.2 | 0 | 0 | 0 | 112.9 | S103 I107 | S103-D105 PolarHBondContact O-N 3.12Å; D105-I107 PolarHBondContact O-N 2.69Å |
| 106 | R | 93.8 | Very high | 92.4 | Very high | 124 Ų | 124 | 88.6 Ų | 88.6 | 47% | 0.468 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -67.6 | 122.5 | 175.6 | 179.6 | 168 | -75.2 | -167.5 | -3.9 | 109.1 | R99 H102 S103 I108 | R99-R106 PolarHBondContact NH1-O 2.91Å; H102-R106 HydrophobicContact CB-CB 4.25Å; H102-R106 PolarHBondContact CE1-NH1 2.88Å; H102-R106 VanDerWaalsContact CE1-NH1 3.33Å; H102-R106 WeakPolarHBondContact ND1-CD 3.26Å; H102-R106 PolarHBondContact ND1-NH1 2.94Å; H102-R106 VanDerWaalsContact ND1-NH1 3.15Å; S103-R106 PolarHBondContact O-N 3.31Å; S103-R106 PolarHBondContact OG-N 2.81Å; R106-I108 HydrophobicContact CG-CG1 4.24Å |
| 107 | I | 92.8 | Very high | 92.5 | Very high | 127 Ų | 127 | 93.2 Ų | 93.2 | 65% | 0.651 | 49% | 0.485 | S | S | * | . | trans | -76.4 | 128.5 | 176.4 | -56.6 | 173.3 | 0 | 0 | 0 | 108.4 | D105 Y109 | D105-I107 PolarHBondContact O-N 2.69Å; I107-Y109 HydrophobicContact CG2-CE1 4.16Å; I107-Y109 HydrophobicContact CG2-CE2 4.46Å | ||
| 108 | I | 93.7 | Very high | 92.4 | Very high | 19 Ų | 19 | 96.2 Ų | 96.2 | 10% | 0.097 | 49% | 0.493 | C | S | . | . | trans | -134.8 | 127.2 | 174.8 | -56 | 176.7 | 0 | 0 | 0 | 106.7 | V98 R99 H102 R106 P225 | V98-I108 HydrophobicContact CG1-CD1 4.47Å; V98-I108 HydrophobicContact CG1-CG2 3.65Å; R99-I108 HydrophobicContact CB-CD1 4.46Å; R99-I108 HydrophobicContact CG-CD1 3.85Å; H102-I108 HydrophobicContact CB-CD1 4.25Å; H102-I108 WeakPolarHBondContact CD2-CD1 3.48Å; R106-I108 HydrophobicContact CG-CG1 4.24Å; I108-P225 HydrophobicContact CG2-CG 4.22Å | ||
| 109 | Y | 95.1 | Very high | 92.3 | Very high | 147 Ų | 147 | 99.9 Ų | 99.9 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | trans | -87 | 128.8 | 174.3 | -56.6 | -69.7 | 0 | 0 | 0 | 109.4 | I107 D114 P225 | I107-Y109 HydrophobicContact CG2-CE1 4.16Å; I107-Y109 HydrophobicContact CG2-CE2 4.46Å; Y109-D114 WeakPolarHBondContact CA-OD2 3.34Å; Y109-D114 HydrophobicContact CD1-CB 3.93Å; Y109-D114 HydrophobicContact CG-CB 4.35Å; Y109-P225 WeakPolarHBondContact O-CD 3.43Å; Y109-P225 VanDerWaalsContact O-CG 3.27Å; Y109-P225 WeakPolarHBondContact O-CG 3.48Å | ||
| 110 | S | 93.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 102.6 Ų | 102.6 | 22% | 0.217 | 54% | 0.535 | C | S | . | . | trans | -150.8 | -14.5 | -172.7 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | D95 D114 | D95-S110 WeakPolarHBondContact OD1-CB 3.47Å; D95-S110 PolarHBondContact OD1-OG 3.36Å; D95-S110 PolarHBondContact OD2-OG 3.47Å; S110-D114 PolarHBondContact N-OD2 3.01Å | ||
| 111 | K | 92.9 | Very high | 91.8 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 34% | 0.339 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -93.5 | 148.5 | -176.5 | -59.1 | -178.9 | -175.6 | -176.9 | 0 | 109.1 | D87 D95 S113 D114 M227 | D87-K111 IonicContact OD2-NZ 3.78Å; D87-K111 PolarHBondContact OD2-NZ 3.02Å; D95-K111 WeakPolarHBondContact OD2-CE 3.33Å; D95-K111 IonicContact OD2-NZ 2.73Å; K111-S113 VanDerWaalsContact CB-OG 3.28Å; K111-S113 WeakPolarHBondContact CB-OG 3.5Å; K111-S113 PolarHBondContact O-N 2.83Å; K111-D114 PolarHBondContact N-OD2 3.21Å; K111-D114 VanDerWaalsContact O-CB 3.28Å; K111-D114 WeakPolarHBondContact O-CB 3.48Å; K111-D114 PolarHBondContact O-N 2.94Å; K111-M227 VanDerWaalsContact O-CE 3.25Å; K111-M227 WeakPolarHBondContact O-CE 3.48Å |
| 112 | F | 92.1 | Very high | 91.3 | Very high | 146 Ų | 146 | 105 Ų | 105 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -59.8 | -29.2 | 172.9 | 179.9 | -101.5 | 0 | 0 | 0 | 112.4 | D114 L115 L116 | F112-D114 PolarHBondContact O-N 3.44Å; F112-D114 VanDerWaalsContact O-N 3.17Å; F112-L115 HydrophobicContact CD2-CD1 3.93Å; F112-L115 HydrophobicContact CE2-CD1 4.36Å; F112-L115 WeakPolarHBondContact O-CB 3.38Å; F112-L115 PolarHBondContact O-N 3.18Å; F112-L116 HydrophobicContact CE1-CD1 4.38Å; F112-L116 HydrophobicContact CE1-CD2 3.77Å; F112-L116 HydrophobicContact CE1-CG 4.17Å; F112-L116 HydrophobicContact CZ-CD2 4.02Å |
| 113 | S | 92.8 | Very high | 90.7 | Very high | 68 Ų | 68 | 110.9 Ų | 110.9 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -57.3 | -26.9 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | K111 L115 | K111-S113 VanDerWaalsContact CB-OG 3.28Å; K111-S113 WeakPolarHBondContact CB-OG 3.5Å; K111-S113 PolarHBondContact O-N 2.83Å; S113-L115 VanDerWaalsContact C-N 3.29Å |
| 114 | D | 93.6 | Very high | 90.4 | Very high | 68 Ų | 68 | 110.2 Ų | 110.2 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -77.8 | -16.2 | 179.8 | -50.3 | -28.6 | 0 | 0 | 0 | 112 | Y109 S110 K111 F112 M227 | Y109-D114 WeakPolarHBondContact CA-OD2 3.34Å; Y109-D114 HydrophobicContact CD1-CB 3.93Å; Y109-D114 HydrophobicContact CG-CB 4.35Å; S110-D114 PolarHBondContact N-OD2 3.01Å; K111-D114 PolarHBondContact N-OD2 3.21Å; K111-D114 VanDerWaalsContact O-CB 3.28Å; K111-D114 WeakPolarHBondContact O-CB 3.48Å; K111-D114 PolarHBondContact O-N 2.94Å; F112-D114 PolarHBondContact O-N 3.44Å; F112-D114 VanDerWaalsContact O-N 3.17Å; D114-M227 HydrophobicContact CB-CE 3.81Å |
| 115 | L | 93.6 | Very high | 90.1 | Very high | 68 Ų | 68 | 105.6 Ų | 105.6 | 36% | 0.356 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -20.1 | 175.9 | -73.3 | 171.6 | 0 | 0 | 0 | 113.4 | F112 S113 M227 | F112-L115 HydrophobicContact CD2-CD1 3.93Å; F112-L115 HydrophobicContact CE2-CD1 4.36Å; F112-L115 WeakPolarHBondContact O-CB 3.38Å; F112-L115 PolarHBondContact O-N 3.18Å; S113-L115 VanDerWaalsContact C-N 3.29Å; L115-M227 HydrophobicContact CD1-CE 4.27Å; L115-M227 HydrophobicContact CD2-CB 3.57Å; L115-M227 HydrophobicContact CD2-CE 4.02Å; L115-M227 VanDerWaalsContact CD2-O 3.3Å; L115-M227 WeakPolarHBondContact CD2-O 3.43Å; L115-M227 HydrophobicContact CG-CB 4.48Å; L115-M227 HydrophobicContact CG-CE 3.64Å |
| 116 | L | 93.5 | Very high | 89.7 | Confident | 95 Ų | 95 | 107 Ų | 107 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -71.6 | 130.7 | -175.3 | -65.9 | 175.9 | 0 | 0 | 0 | 109.5 | F112 K118 | F112-L116 HydrophobicContact CE1-CD1 4.38Å; F112-L116 HydrophobicContact CE1-CD2 3.77Å; F112-L116 HydrophobicContact CE1-CG 4.17Å; F112-L116 HydrophobicContact CZ-CD2 4.02Å; L116-K118 PolarHBondContact O-N 3.41Å |
| 117 | P | 93.2 | Very high | 89.2 | Confident | 122 Ų | 122 | 106.9 Ų | 106.9 | 79% | 0.792 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 135.7 | 174.3 | 28.1 | -33.4 | 0 | 0 | 0 | 109.1 | ||
| 118 | K | 89.4 | Confident | 88.9 | Confident | 173 Ų | 173 | 106.3 Ų | 106.3 | 75% | 0.752 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 136 | 172.3 | -63.1 | -177.4 | 179.9 | -176.2 | 0 | 108.6 | L116 | L116-K118 PolarHBondContact O-N 3.41Š|
| 119 | P | 87.8 | Confident | 88.5 | Confident | 116 Ų | 116 | 114.1 Ų | 114.1 | 75% | 0.753 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.7 | 166.7 | 28.4 | -32.9 | 0 | 0 | 0 | 108.4 | ||
| 120 | I | 83.5 | Confident | 88.1 | Confident | 111 Ų | 111 | 111.1 Ų | 111.1 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | trans | -114.7 | 117.8 | 177.8 | -59.2 | 172.6 | 0 | 0 | 0 | 105.4 | F127 | I120-F127 HydrophobicContact CG1-CZ 4.12Å; I120-F127 HydrophobicContact CG2-CD2 4.27Å; I120-F127 HydrophobicContact CG2-CE2 3.97Å; I120-F127 HydrophobicContact CG2-CZ 4.2Å | ||
| 121 | D | 85.5 | Confident | 87.6 | Confident | 103 Ų | 103 | 112.6 Ų | 112.6 | 55% | 0.551 | 60% | 0.595 | S | S | * | * | trans | -93.6 | 129.1 | 167.4 | -64.2 | -31.1 | 0 | 0 | 0 | 107.7 | D123 D124 | D121-D123 PolarHBondContact O-N 3.11Å; D121-D123 VanDerWaalsContact O-N 3.11Å; D121-D124 PolarHBondContact N-OD2 3.29Å; D121-D124 WeakPolarHBondContact O-CB 3.3Å; D121-D124 PolarHBondContact O-N 3.41Å | ||
| 122 | D | 80.7 | Confident | 87.2 | Confident | 164 Ų | 164 | 114.2 Ų | 114.2 | 88% | 0.877 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -21.8 | -174.3 | -72.3 | -34.9 | 0 | 0 | 0 | 112.9 | ||
| 123 | D | 81.1 | Confident | 86.6 | Confident | 160 Ų | 160 | 112.7 Ų | 112.7 | 86% | 0.856 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 1.7 | 179.6 | -65.4 | -46.9 | 0 | 0 | 0 | 113.6 | D121 P125 | D121-D123 PolarHBondContact O-N 3.11Å; D121-D123 VanDerWaalsContact O-N 3.11Å; D123-P125 WeakPolarHBondContact O-CD 3.43Å |
| 124 | D | 84.8 | Confident | 86.1 | Confident | 56 Ų | 56 | 112.2 Ų | 112.2 | 30% | 0.299 | 59% | 0.593 | S | S | . | * | trans | -70.5 | 119.2 | -176.8 | -86.2 | -26.4 | 0 | 0 | 0 | 111.9 | D121 E126 F127 | D121-D124 PolarHBondContact N-OD2 3.29Å; D121-D124 WeakPolarHBondContact O-CB 3.3Å; D121-D124 PolarHBondContact O-N 3.41Å; D124-E126 PolarHBondContact O-N 3.14Å; D124-E126 VanDerWaalsContact O-N 3.11Å; D124-F127 HydrophobicContact CB-CD2 3.67Å; D124-F127 HydrophobicContact CB-CE2 4.01Å; D124-F127 PolarHBondContact O-N 3.32Å | ||
| 125 | P | 84.8 | Confident | 85.6 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -67.8 | -14.4 | -178.1 | 28.1 | -35.3 | 0 | 0 | 0 | 113.7 | D123 F127 N128 | D123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-F127 VanDerWaalsContact C-N 3.25Å; P125-F127 PolarHBondContact O-N 2.96Å; P125-N128 WeakPolarHBondContact O-CB 3.24Å; P125-N128 PolarHBondContact O-N 2.73Å |
| 126 | E | 84.9 | Confident | 84.6 | Confident | 176 Ų | 176 | 113.8 Ų | 113.8 | 82% | 0.822 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -66.4 | -26.1 | 175.9 | -67.3 | -167.9 | 173.9 | 0 | 0 | 113 | D124 | D124-E126 PolarHBondContact O-N 3.14Å; D124-E126 VanDerWaalsContact O-N 3.11Å |
| 127 | F | 83.9 | Confident | 82.9 | Confident | 122 Ų | 122 | 115.9 Ų | 115.9 | 54% | 0.535 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -89.8 | -5.7 | 178.2 | -63.2 | -77.3 | 0 | 0 | 0 | 113.2 | I120 D124 P125 | I120-F127 HydrophobicContact CG1-CZ 4.12Å; I120-F127 HydrophobicContact CG2-CD2 4.27Å; I120-F127 HydrophobicContact CG2-CE2 3.97Å; I120-F127 HydrophobicContact CG2-CZ 4.2Å; D124-F127 HydrophobicContact CB-CD2 3.67Å; D124-F127 HydrophobicContact CB-CE2 4.01Å; D124-F127 PolarHBondContact O-N 3.32Å; P125-F127 VanDerWaalsContact C-N 3.25Å; P125-F127 PolarHBondContact O-N 2.96Å |
| 128 | N | 85.6 | Confident | 81.2 | Confident | 115 Ų | 115 | 113.5 Ų | 113.5 | 62% | 0.615 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -67 | 141.5 | 172.8 | -73.5 | -33 | 0 | 0 | 0 | 110.3 | P125 | P125-N128 WeakPolarHBondContact O-CB 3.24Å; P125-N128 PolarHBondContact O-N 2.73Å |
| 129 | K | 85.4 | Confident | 80 | Confident | 183 Ų | 183 | 108.8 Ų | 108.8 | 80% | 0.796 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 149.3 | 167.4 | -65.6 | 179.8 | -176.5 | 176.4 | 0 | 108.5 | ||
| 130 | P | 86.7 | Confident | 79.8 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -49.3 | 150.8 | 169.1 | -24.9 | 34 | 0 | 0 | 0 | 110.6 | T134 I135 | P130-T134 HydrophobicContact CB-CG2 4.24Å; P130-I135 HydrophobicContact CB-CG1 4.24Å; P130-I135 VanDerWaalsContact O-CD1 3.28Å; P130-I135 WeakPolarHBondContact O-CD1 3.19Å |
| 131 | S | 84.9 | Confident | 80.1 | Confident | 63 Ų | 63 | 105.3 Ų | 105.3 | 44% | 0.441 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 150.1 | -178.3 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | E133 T134 I135 | S131-E133 PolarHBondContact O-N 3.23Å; S131-T134 WeakPolarHBondContact O-CA 3.24Å; S131-T134 WeakPolarHBondContact O-CB 3.39Å; S131-T134 PolarHBondContact O-N 3.25Å; S131-T134 PolarHBondContact OG-N 2.83Å; S131-T134 PolarHBondContact OG-OG1 3.2Å; S131-I135 PolarHBondContact O-N 3.01Å |
| 132 | Q | 83.1 | Confident | 80.3 | Confident | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.4 | -36.8 | 179.4 | -166.4 | 66.9 | 8.9 | 0 | 0 | 111.2 | T134 I135 E136 | Q132-T134 PolarHBondContact O-N 2.73Å; Q132-I135 PolarHBondContact O-N 3.41Å; Q132-E136 HydrophobicContact CG-CG 4.15Å; Q132-E136 VanDerWaalsContact NE2-CD 3.33Å; Q132-E136 PolarHBondContact NE2-OE1 3.11Å; Q132-E136 WeakPolarHBondContact O-CB 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 3.18Å |
| 133 | E | 80.8 | Confident | 80.8 | Confident | 114 Ų | 114 | 101.9 Ų | 101.9 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 170.9 | 178.9 | 171.7 | -175.4 | 0 | 0 | 112.6 | S131 I135 E137 V138 | S131-E133 PolarHBondContact O-N 3.23Å; E133-I135 VanDerWaalsContact C-N 3.28Å; E133-I135 PolarHBondContact O-N 3.22Å; E133-E137 HydrophobicContact CB-CB 4.47Å; E133-E137 HydrophobicContact CG-CB 3.75Å; E133-E137 HydrophobicContact CG-CG 4.38Å; E133-E137 WeakPolarHBondContact CG-OE2 3.37Å; E133-E137 CarbonylContact O-C 3.6Å; E133-E137 WeakPolarHBondContact O-CA 3.44Å; E133-E137 WeakPolarHBondContact O-CB 3.26Å; E133-E137 PolarHBondContact O-N 3.36Å; E133-V138 HydrophobicContact CG-CG2 4.35Å; E133-V138 PolarHBondContact O-N 2.97Å |
| 134 | T | 81.7 | Confident | 81.3 | Confident | 58 Ų | 58 | 98.1 Ų | 98.1 | 36% | 0.356 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.7 | -31.5 | 176 | -51 | 0 | 0 | 0 | 0 | 112.1 | P130 S131 Q132 V138 T140 | P130-T134 HydrophobicContact CB-CG2 4.24Å; S131-T134 WeakPolarHBondContact O-CA 3.24Å; S131-T134 WeakPolarHBondContact O-CB 3.39Å; S131-T134 PolarHBondContact O-N 3.25Å; S131-T134 PolarHBondContact OG-N 2.83Å; S131-T134 PolarHBondContact OG-OG1 3.2Å; Q132-T134 PolarHBondContact O-N 2.73Å; T134-V138 HydrophobicContact CG2-CB 4.49Å; T134-T140 PolarHBondContact O-OG1 3.49Å |
| 135 | I | 82.8 | Confident | 81.7 | Confident | 52 Ų | 52 | 101.1 Ų | 101.1 | 27% | 0.267 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76 | -46.5 | 178.4 | -63.5 | 172 | 0 | 0 | 0 | 110.9 | P130 S131 Q132 E133 T140 T141 | P130-I135 HydrophobicContact CB-CG1 4.24Å; P130-I135 VanDerWaalsContact O-CD1 3.28Å; P130-I135 WeakPolarHBondContact O-CD1 3.19Å; S131-I135 PolarHBondContact O-N 3.01Å; Q132-I135 PolarHBondContact O-N 3.41Å; E133-I135 VanDerWaalsContact C-N 3.28Å; E133-I135 PolarHBondContact O-N 3.22Å; I135-T140 PolarHBondContact O-OG1 3.27Å; I135-T140 VanDerWaalsContact O-OG1 3.12Å; I135-T141 VanDerWaalsContact O-CB 3.3Å; I135-T141 WeakPolarHBondContact O-CB 3.07Å; I135-T141 PolarHBondContact O-N 3.19Å; I135-T141 PolarHBondContact O-OG1 3.47Å |
| 136 | E | 72.3 | Confident | 82.2 | Confident | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -90.2 | -48.1 | -174.4 | -66.6 | -176 | 169.4 | 0 | 0 | 112.9 | Q132 | Q132-E136 HydrophobicContact CG-CG 4.15Å; Q132-E136 VanDerWaalsContact NE2-CD 3.33Å; Q132-E136 PolarHBondContact NE2-OE1 3.11Å; Q132-E136 WeakPolarHBondContact O-CB 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.28Å; Q132-E136 PolarHBondContact O-N 3.18Å |
| 137 | E | 57.6 | Low | 82.7 | Confident | 139 Ų | 139 | 96.2 Ų | 96.2 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -40.2 | -166.1 | -152.8 | 165.8 | 176.7 | 0 | 0 | 112.8 | E133 D139 | E133-E137 HydrophobicContact CB-CB 4.47Å; E133-E137 HydrophobicContact CG-CB 3.75Å; E133-E137 HydrophobicContact CG-CG 4.38Å; E133-E137 WeakPolarHBondContact CG-OE2 3.37Å; E133-E137 CarbonylContact O-C 3.6Å; E133-E137 WeakPolarHBondContact O-CA 3.44Å; E133-E137 WeakPolarHBondContact O-CB 3.26Å; E133-E137 PolarHBondContact O-N 3.36Å; E137-D139 PolarHBondContact O-N 3.21Å; E137-D139 VanDerWaalsContact O-N 3.14Å |
| 138 | V | 58.5 | Low | 83.3 | Confident | 72 Ų | 72 | 95 Ų | 95 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -96.2 | 66.1 | -173.3 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | E133 T134 T140 | E133-V138 HydrophobicContact CG-CG2 4.35Å; E133-V138 PolarHBondContact O-N 2.97Å; T134-V138 HydrophobicContact CG2-CB 4.49Å; V138-T140 VanDerWaalsContact C-N 3.34Å; V138-T140 PolarHBondContact O-N 3.07Å |
| 139 | D | 64 | Low | 83.8 | Confident | 74 Ų | 74 | 93.9 Ų | 93.9 | 40% | 0.396 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 78.5 | -26.5 | 159 | -63.4 | -43.2 | 0 | 0 | 0 | 118.9 | E137 K143 | E137-D139 PolarHBondContact O-N 3.21Å; E137-D139 VanDerWaalsContact O-N 3.14Å; D139-K143 HydrophobicContact CB-CD 3.6Å; D139-K143 HydrophobicContact CB-CG 3.92Å; D139-K143 WeakPolarHBondContact O-CA 3.43Å; D139-K143 WeakPolarHBondContact O-CB 3.27Å; D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 3.15Å; D139-K143 WeakPolarHBondContact OD1-CE 3.42Å; D139-K143 IonicContact OD1-NZ 3.42Å; D139-K143 PolarHBondContact OD1-NZ 2.71Å; D139-K143 WeakPolarHBondContact OD2-CE 3.5Å; D139-K143 IonicContact OD2-NZ 2.62Å; D139-K143 PolarHBondContact OD2-NZ 3.5Å |
| 140 | T | 84.5 | Confident | 84.3 | Confident | 76 Ų | 76 | 88 Ų | 88 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.5 | -60.4 | -170.7 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | T134 I135 V138 T144 | T134-T140 PolarHBondContact O-OG1 3.49Å; I135-T140 PolarHBondContact O-OG1 3.27Å; I135-T140 VanDerWaalsContact O-OG1 3.12Å; V138-T140 VanDerWaalsContact C-N 3.34Å; V138-T140 PolarHBondContact O-N 3.07Å; T140-T144 WeakPolarHBondContact O-CB 3.46Å; T140-T144 PolarHBondContact O-N 3.46Å; T140-T144 PolarHBondContact O-OG1 2.76Å |
| 141 | T | 89 | Confident | 84.7 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | I135 R145 | I135-T141 VanDerWaalsContact O-CB 3.3Å; I135-T141 WeakPolarHBondContact O-CB 3.07Å; I135-T141 PolarHBondContact O-N 3.19Å; I135-T141 PolarHBondContact O-OG1 3.47Å; T141-R145 VanDerWaalsContact O-CB 3.24Å; T141-R145 WeakPolarHBondContact O-CB 3.4Å; T141-R145 PolarHBondContact O-N 3.4Å |
| 142 | E | 89.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 89.9 Ų | 89.9 | 36% | 0.36 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 179.7 | -78.2 | -127.9 | 141.8 | 0 | 0 | 113.7 | R145 K146 | E142-R145 PolarHBondContact O-N 2.91Å; E142-R145 IonicContact OE1-NH2 3.21Å; E142-R145 PolarHBondContact OE1-NH2 3.27Å; E142-K146 WeakPolarHBondContact O-CB 3.34Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.31Å; E142-K146 IonicContact OE2-NZ 2.84Å; E142-K146 PolarHBondContact OE2-NZ 3.14Å |
| 143 | K | 90.6 | Very high | 85.6 | Confident | 119 Ų | 119 | 91.1 Ų | 91.1 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 178.2 | -67.4 | -179.1 | -177.9 | 152.1 | 0 | 110.4 | D139 K146 A147 | D139-K143 HydrophobicContact CB-CD 3.6Å; D139-K143 HydrophobicContact CB-CG 3.92Å; D139-K143 WeakPolarHBondContact O-CA 3.43Å; D139-K143 WeakPolarHBondContact O-CB 3.27Å; D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 3.15Å; D139-K143 WeakPolarHBondContact OD1-CE 3.42Å; D139-K143 IonicContact OD1-NZ 3.42Å; D139-K143 PolarHBondContact OD1-NZ 2.71Å; D139-K143 WeakPolarHBondContact OD2-CE 3.5Å; D139-K143 IonicContact OD2-NZ 2.62Å; D139-K143 PolarHBondContact OD2-NZ 3.5Å; K143-K146 PolarHBondContact O-N 3.21Å; K143-A147 VanDerWaalsContact O-CB 3.23Å; K143-A147 WeakPolarHBondContact O-CB 3.34Å; K143-A147 PolarHBondContact O-N 2.81Å |
| 144 | T | 92.4 | Very high | 86.1 | Confident | 81 Ų | 81 | 91.1 Ų | 91.1 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 176 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | T140 A147 L148 | T140-T144 WeakPolarHBondContact O-CB 3.46Å; T140-T144 PolarHBondContact O-N 3.46Å; T140-T144 PolarHBondContact O-OG1 2.76Å; T144-A147 PolarHBondContact O-N 3.33Å; T144-L148 HydrophobicContact CG2-CD1 3.86Å; T144-L148 HydrophobicContact CG2-CG 4.23Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 VanDerWaalsContact O-CG 3.24Å; T144-L148 WeakPolarHBondContact O-CG 3.41Å; T144-L148 PolarHBondContact O-N 3.15Å |
| 145 | R | 93.5 | Very high | 86.6 | Confident | 119 Ų | 119 | 96.1 Ų | 96.1 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57 | -54.8 | 174.2 | -178.3 | -171.9 | 62.9 | 174.6 | -10.3 | 111.2 | T141 E142 A147 L148 E149 | T141-R145 VanDerWaalsContact O-CB 3.24Å; T141-R145 WeakPolarHBondContact O-CB 3.4Å; T141-R145 PolarHBondContact O-N 3.4Å; E142-R145 PolarHBondContact O-N 2.91Å; E142-R145 IonicContact OE1-NH2 3.21Å; E142-R145 PolarHBondContact OE1-NH2 3.27Å; R145-A147 VanDerWaalsContact C-N 3.3Å; R145-A147 PolarHBondContact O-N 2.92Å; R145-L148 PolarHBondContact O-N 3.33Å; R145-L148 VanDerWaalsContact O-N 3.14Å; R145-E149 WeakPolarHBondContact CD-OE1 3.1Å; R145-E149 HydrophobicContact CG-CG 4.29Å; R145-E149 WeakPolarHBondContact CG-OE1 3.41Å; R145-E149 IonicContact NE-OE1 3.32Å; R145-E149 WeakPolarHBondContact O-CB 3.29Å; R145-E149 WeakPolarHBondContact O-CG 3.44Å; R145-E149 PolarHBondContact O-N 2.95Å |
| 146 | K | 94.3 | Very high | 87.1 | Confident | 112 Ų | 112 | 98 Ų | 98 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 179.9 | -73.6 | 166.5 | 176.1 | 153.1 | 0 | 111.9 | E142 K143 S150 | E142-K146 WeakPolarHBondContact O-CB 3.34Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.31Å; E142-K146 IonicContact OE2-NZ 2.84Å; E142-K146 PolarHBondContact OE2-NZ 3.14Å; K143-K146 PolarHBondContact O-N 3.21Å; K146-S150 PolarHBondContact O-N 3.49Å |
| 147 | A | 95.4 | Very high | 87.7 | Confident | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K143 T144 R145 L151 | K143-A147 VanDerWaalsContact O-CB 3.23Å; K143-A147 WeakPolarHBondContact O-CB 3.34Å; K143-A147 PolarHBondContact O-N 2.81Å; T144-A147 PolarHBondContact O-N 3.33Å; R145-A147 VanDerWaalsContact C-N 3.3Å; R145-A147 PolarHBondContact O-N 2.92Å; A147-L151 WeakPolarHBondContact O-CG 3.22Å; A147-L151 PolarHBondContact O-N 3.19Å; A147-L151 VanDerWaalsContact O-N 3.14Å |
| 148 | L | 96.4 | Very high | 89.1 | Confident | 97 Ų | 97 | 91.3 Ų | 91.3 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 176.3 | -70.6 | 175.9 | 0 | 0 | 0 | 111.7 | T144 R145 S150 L151 V152 | T144-L148 HydrophobicContact CG2-CD1 3.86Å; T144-L148 HydrophobicContact CG2-CG 4.23Å; T144-L148 WeakPolarHBondContact O-CB 3.38Å; T144-L148 VanDerWaalsContact O-CG 3.24Å; T144-L148 WeakPolarHBondContact O-CG 3.41Å; T144-L148 PolarHBondContact O-N 3.15Å; R145-L148 PolarHBondContact O-N 3.33Å; R145-L148 VanDerWaalsContact O-N 3.14Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.46Å; L148-L151 HydrophobicContact CD2-CD1 4.37Å; L148-L151 WeakPolarHBondContact O-CB 3.28Å; L148-L151 PolarHBondContact O-N 2.97Å; L148-V152 WeakPolarHBondContact O-CB 3.4Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.28Å |
| 149 | E | 96.5 | Very high | 90.5 | Very high | 91 Ų | 91 | 91.8 Ų | 91.8 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 173.7 | -77 | 170.9 | 174.5 | 0 | 0 | 110.8 | R145 L151 V152 E153 | R145-E149 WeakPolarHBondContact CD-OE1 3.1Å; R145-E149 HydrophobicContact CG-CG 4.29Å; R145-E149 WeakPolarHBondContact CG-OE1 3.41Å; R145-E149 IonicContact NE-OE1 3.32Å; R145-E149 WeakPolarHBondContact O-CB 3.29Å; R145-E149 WeakPolarHBondContact O-CG 3.44Å; R145-E149 PolarHBondContact O-N 2.95Å; E149-L151 VanDerWaalsContact C-N 3.33Å; E149-L151 PolarHBondContact O-N 3.21Å; E149-V152 CarbonylContact O-C 3.57Å; E149-V152 PolarHBondContact O-N 3.5Å; E149-V152 VanDerWaalsContact O-N 3.08Å; E149-E153 WeakPolarHBondContact O-CG 3.35Å; E149-E153 PolarHBondContact O-N 3.43Å |
| 150 | S | 95.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 90.3 Ų | 90.3 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | K146 L148 M154 | K146-S150 PolarHBondContact O-N 3.49Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.46Å; S150-M154 WeakPolarHBondContact O-CG 3.34Å; S150-M154 PolarHBondContact O-N 3.09Å |
| 151 | L | 95.2 | Very high | 90.8 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 174.4 | -71.3 | 174.3 | 0 | 0 | 0 | 112.2 | A147 L148 E149 M154 K155 | A147-L151 WeakPolarHBondContact O-CG 3.22Å; A147-L151 PolarHBondContact O-N 3.19Å; A147-L151 VanDerWaalsContact O-N 3.14Å; L148-L151 HydrophobicContact CD2-CD1 4.37Å; L148-L151 WeakPolarHBondContact O-CB 3.28Å; L148-L151 PolarHBondContact O-N 2.97Å; E149-L151 VanDerWaalsContact C-N 3.33Å; E149-L151 PolarHBondContact O-N 3.21Å; L151-M154 HydrophobicContact CD2-CE 3.63Å; L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 3.29Å |
| 152 | V | 95.7 | Very high | 89.9 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 178.6 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | L148 E149 M154 K155 V156 | L148-V152 WeakPolarHBondContact O-CB 3.4Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.28Å; E149-V152 CarbonylContact O-C 3.57Å; E149-V152 PolarHBondContact O-N 3.5Å; E149-V152 VanDerWaalsContact O-N 3.08Å; V152-M154 VanDerWaalsContact C-N 3.3Å; V152-M154 PolarHBondContact O-N 3.29Å; V152-K155 CarbonylContact O-C 3.54Å; V152-K155 WeakPolarHBondContact O-CA 3.42Å; V152-K155 WeakPolarHBondContact O-CB 2.97Å; V152-K155 PolarHBondContact O-N 2.98Å; V152-V156 HydrophobicContact CG1-CG2 3.93Å; V152-V156 WeakPolarHBondContact O-CG2 3.36Å; V152-V156 PolarHBondContact O-N 2.97Å |
| 153 | E | 92.8 | Very high | 89 | Confident | 138 Ų | 138 | 98.1 Ų | 98.1 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -54.7 | -45 | 176.3 | -75.9 | 177.4 | 177.1 | 0 | 0 | 111.7 | E149 K155 V156 A157 | E149-E153 WeakPolarHBondContact O-CG 3.35Å; E149-E153 PolarHBondContact O-N 3.43Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 2.86Å; E153-V156 PolarHBondContact O-N 3Å; E153-A157 VanDerWaalsContact O-CB 3.3Å; E153-A157 WeakPolarHBondContact O-CB 2.9Å; E153-A157 PolarHBondContact O-N 3.09Å |
| 154 | M | 90.2 | Very high | 88 | Confident | 115 Ų | 115 | 103.5 Ų | 103.5 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.7 | -37.2 | 175.2 | -71.8 | -170.5 | -71.3 | 0 | 0 | 113 | S150 L151 V152 A158 | S150-M154 WeakPolarHBondContact O-CG 3.34Å; S150-M154 PolarHBondContact O-N 3.09Å; L151-M154 HydrophobicContact CD2-CE 3.63Å; V152-M154 VanDerWaalsContact C-N 3.3Å; V152-M154 PolarHBondContact O-N 3.29Å; M154-A158 PolarHBondContact O-N 3.28Å |
| 155 | K | 93.3 | Very high | 87.2 | Confident | 162 Ų | 162 | 103.3 Ų | 103.3 | 70% | 0.704 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.9 | -41.4 | 177.6 | -67.3 | -67.6 | -179.8 | -176.1 | 0 | 111.9 | L151 V152 E153 A158 A159 | L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 3.29Å; V152-K155 CarbonylContact O-C 3.54Å; V152-K155 WeakPolarHBondContact O-CA 3.42Å; V152-K155 WeakPolarHBondContact O-CB 2.97Å; V152-K155 PolarHBondContact O-N 2.98Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 2.86Å; K155-A158 PolarHBondContact O-N 2.99Å; K155-A159 PolarHBondContact O-N 3.28Å |
| 156 | V | 91.8 | Very high | 86.3 | Confident | 91 Ų | 91 | 103.9 Ų | 103.9 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.9 | -44 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | V152 E153 A158 A159 A160 | V152-V156 HydrophobicContact CG1-CG2 3.93Å; V152-V156 WeakPolarHBondContact O-CG2 3.36Å; V152-V156 PolarHBondContact O-N 2.97Å; E153-V156 PolarHBondContact O-N 3Å; V156-A158 PolarHBondContact O-N 3.42Å; V156-A159 PolarHBondContact O-N 2.54Å; V156-A160 PolarHBondContact O-N 3.21Å |
| 157 | A | 86.8 | Confident | 85.6 | Confident | 55 Ų | 55 | 107.8 Ų | 107.8 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59 | -31.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E153 | E153-A157 VanDerWaalsContact O-CB 3.3Å; E153-A157 WeakPolarHBondContact O-CB 2.9Å; E153-A157 PolarHBondContact O-N 3.09Å |
| 158 | A | 85.3 | Confident | 85 | Confident | 61 Ų | 61 | 108.7 Ų | 108.7 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.5 | -28.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M154 K155 V156 | M154-A158 PolarHBondContact O-N 3.28Å; K155-A158 PolarHBondContact O-N 2.99Å; V156-A158 PolarHBondContact O-N 3.42Å |
| 159 | A | 87.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -91 | -16.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | K155 V156 | K155-A159 PolarHBondContact O-N 3.28Å; V156-A159 PolarHBondContact O-N 2.54Å |
| 160 | A | 82.8 | Confident | 84.1 | Confident | 44 Ų | 44 | 109.7 Ų | 109.7 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | trans | -59.7 | 127.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V156 V162 | V156-A160 PolarHBondContact O-N 3.21Å; A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 2.82Å | ||
| 161 | P | 72.7 | Confident | 84 | Confident | 135 Ų | 135 | 108.5 Ų | 108.5 | 88% | 0.877 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -68 | -25.8 | -169.4 | 23 | -32.4 | 0 | 0 | 0 | 114 | ||
| 162 | V | 71.2 | Confident | 84 | Confident | 123 Ų | 123 | 109.7 Ų | 109.7 | 75% | 0.745 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -130.2 | 118.8 | 173.7 | -173 | 0 | 0 | 0 | 0 | 107.1 | A160 | A160-V162 VanDerWaalsContact C-N 3.29Å; A160-V162 PolarHBondContact O-N 2.82Å |
| 163 | R | 68.5 | Low | 83.9 | Confident | 136 Ų | 136 | 112.9 Ų | 112.9 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -80.7 | 124.1 | 171.2 | -64.4 | -171.7 | -176.6 | -165.3 | 5.1 | 108 | ||
| 164 | R | 70.6 | Confident | 84 | Confident | 232 Ų | 232 | 110.3 Ų | 110.3 | 88% | 0.875 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.4 | 164.7 | -71.1 | -174.8 | -175.5 | -178.2 | 1.9 | 107.4 | E166 | R164-E166 PolarHBondContact O-N 3.35Š|
| 165 | A | 74.3 | Confident | 84.3 | Confident | 76 Ų | 76 | 112.3 Ų | 112.3 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 116.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | K167 | A165-K167 PolarHBondContact O-N 3.42Š|
| 166 | E | 76.1 | Confident | 84.4 | Confident | 131 Ų | 131 | 109.9 Ų | 109.9 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 132.1 | 179.8 | -71.1 | 167.4 | -171.6 | 0 | 0 | 108.3 | R164 | R164-E166 PolarHBondContact O-N 3.35Š|
| 167 | K | 79.4 | Confident | 84.6 | Confident | 195 Ų | 195 | 108.7 Ų | 108.7 | 85% | 0.848 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 133 | 171.2 | -69.4 | -176.4 | 179.2 | -178.6 | 0 | 107.5 | A165 N169 | A165-K167 PolarHBondContact O-N 3.42Å; K167-N169 PolarHBondContact O-N 3.43Å |
| 168 | T | 81.9 | Confident | 84.8 | Confident | 75 Ų | 75 | 106.4 Ų | 106.4 | 46% | 0.46 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 132.5 | 174.3 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | Q200 | T168-Q200 HydrophobicContact CG2-CB 3.77Å; T168-Q200 HydrophobicContact CG2-CG 3.88Å |
| 169 | N | 84.8 | Confident | 85.2 | Confident | 100 Ų | 100 | 109.1 Ų | 109.1 | 54% | 0.535 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 151.3 | 174.1 | -71 | -50.9 | 0 | 0 | 0 | 110.6 | K167 E198 | K167-N169 PolarHBondContact O-N 3.43Å; N169-E198 PolarHBondContact ND2-OE2 3.07Å |
| 170 | P | 90 | Very high | 85.3 | Confident | 108 Ų | 108 | 111.2 Ų | 111.2 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 155.4 | 176.1 | 27.5 | -34.6 | 0 | 0 | 0 | 111 | E172 | P170-E172 PolarHBondContact O-N 3.21Š|
| 171 | A | 92.3 | Very high | 85.6 | Confident | 36 Ų | 36 | 114.9 Ų | 114.9 | 30% | 0.298 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 127.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R195 M196 V197 | A171-R195 HydrophobicContact CB-CG 4.09Å; A171-M196 WeakPolarHBondContact CA-O 3.28Å; A171-V197 HydrophobicContact CB-CG2 3.89Å |
| 172 | E | 95.1 | Very high | 86.4 | Confident | 123 Ų | 123 | 110.3 Ų | 110.3 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 144.6 | 177.5 | -65.6 | -175.4 | 171.4 | 0 | 0 | 110.6 | P170 R195 M196 | P170-E172 PolarHBondContact O-N 3.21Å; E172-R195 CarbonylContact O-C 3.56Å; E172-R195 WeakPolarHBondContact O-CA 3.44Å; E172-M196 PolarHBondContact N-O 2.74Å; E172-M196 PolarHBondContact O-N 3.31Å |
| 173 | Y | 95.4 | Very high | 87.2 | Confident | 152 Ų | 152 | 108.8 Ų | 108.8 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.5 | 176.9 | -69 | -94.7 | 0 | 0 | 0 | 110 | V194 R195 | Y173-V194 CarbonylContact C-O 3.51Å; Y173-V194 WeakPolarHBondContact CA-O 3.42Å; Y173-R195 HydrophobicContact CD1-CB 3.99Å; Y173-R195 HydrophobicContact CD1-CG 4.27Å; Y173-R195 HydrophobicContact CE1-CB 3.72Å; Y173-R195 HydrophobicContact CE1-CG 3.76Å; Y173-R195 HydrophobicContact CE2-CG 4.38Å |
| 174 | I | 95 | Very high | 88.3 | Confident | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.2 | 178.4 | -54.6 | 179 | 0 | 0 | 0 | 108.9 | Y176 V194 M196 | I174-Y176 PolarHBondContact O-N 3.17Å; I174-V194 PolarHBondContact N-O 2.86Å; I174-V194 PolarHBondContact O-N 3.3Å; I174-M196 HydrophobicContact CD1-CG 3.63Å; I174-M196 HydrophobicContact CG1-CG 4.1Å |
| 175 | R | 96 | Very high | 89.1 | Confident | 157 Ų | 157 | 100.6 Ų | 100.6 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 108.9 | 170.8 | -179.4 | -176.1 | -65.4 | -78.8 | -3.9 | 109 | Q191 | R175-Q191 VanDerWaalsContact CD-OE1 3.28Å |
| 176 | Y | 94.9 | Very high | 89.7 | Confident | 110 Ų | 110 | 99.4 Ų | 99.4 | 43% | 0.431 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.2 | 179.2 | 179 | -119.6 | 0 | 0 | 0 | 110.9 | I174 P178 Q191 R192 | I174-Y176 PolarHBondContact O-N 3.17Å; Y176-P178 HydrophobicContact CD1-CG 3.9Å; Y176-P178 HydrophobicContact CE1-CB 3.89Å; Y176-P178 HydrophobicContact CE1-CG 3.73Å; Y176-P178 WeakPolarHBondContact O-CD 3.27Å; Y176-Q191 WeakPolarHBondContact O-CA 3.46Å; Y176-R192 HydrophobicContact CD1-CG 3.84Å; Y176-R192 HydrophobicContact CG-CG 4.44Å; Y176-R192 PolarHBondContact N-O 3.35Å; Y176-R192 PolarHBondContact O-N 3.09Å |
| 177 | T | 94.9 | Very high | 90.3 | Very high | 66 Ų | 66 | 99.2 Ų | 99.2 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | trans | -102.5 | 106.3 | 170 | -53 | 0 | 0 | 0 | 0 | 107.9 | Q191 | T177-Q191 HydrophobicContact CG2-CG 4.27Å; T177-Q191 WeakPolarHBondContact OG1-CG 3.4Å; T177-Q191 PolarHBondContact OG1-NE2 3.06Å; T177-Q191 VanDerWaalsContact OG1-NE2 3.08Å | ||
| 178 | P | 92.7 | Very high | 90.6 | Very high | 8 Ų | 8 | 92.1 Ų | 92.1 | 5% | 0.052 | 53% | 0.528 | C | S | . | . | trans | -64.5 | 140 | 179 | -19 | 32.5 | 0 | 0 | 0 | 111.3 | Y176 Q180 Q181 K190 | Y176-P178 HydrophobicContact CD1-CG 3.9Å; Y176-P178 HydrophobicContact CE1-CB 3.89Å; Y176-P178 HydrophobicContact CE1-CG 3.73Å; Y176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-Q180 VanDerWaalsContact C-N 3.34Å; P178-Q181 WeakPolarHBondContact O-CG 3.48Å; P178-K190 WeakPolarHBondContact CD-O 3.5Å | ||
| 179 | S | 92.8 | Very high | 91 | Very high | 118 Ų | 118 | 91 Ų | 91 | 83% | 0.825 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -66.7 | -38.8 | 172.1 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | Q181 | S179-Q181 PolarHBondContact O-N 3.04Š|
| 180 | Q | 90.3 | Very high | 91.4 | Very high | 125 Ų | 125 | 94 Ų | 94 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -78.5 | 99.4 | 172.5 | -169.6 | 174.1 | 32.1 | 0 | 0 | 109.5 | P178 F185 | P178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-F185 HydrophobicContact CG-CD2 4.13Å; Q180-F185 HydrophobicContact CG-CE2 3.98Å; Q180-F185 HydrophobicContact CG-CZ 4.46Å |
| 181 | Q | 89 | Confident | 91.6 | Very high | 122 Ų | 122 | 92.4 Ų | 92.4 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | trans | -101.2 | 150 | 174.4 | -60.1 | -173.5 | 5.1 | 0 | 0 | 110.2 | P178 S179 | P178-Q181 WeakPolarHBondContact O-CG 3.48Å; S179-Q181 PolarHBondContact O-N 3.04Å | ||
| 182 | G | 88.3 | Confident | 91.6 | Very high | 39 Ų | 39 | 95.6 Ų | 95.6 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | trans | 169.4 | 148.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A184 F185 | G182-A184 PolarHBondContact O-N 3.15Å; G182-A184 VanDerWaalsContact O-N 3.17Å; G182-F185 PolarHBondContact O-N 3.44Å; G182-F185 VanDerWaalsContact O-O 3.11Å | ||
| 183 | A | 88.9 | Confident | 91.6 | Very high | 91 Ų | 91 | 94.9 Ų | 94.9 | 75% | 0.752 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F185 G188 | A183-F185 VanDerWaalsContact C-N 3.34Å; A183-G188 PolarHBondContact O-N 2.94Å |
| 184 | A | 90.8 | Very high | 91.5 | Very high | 97 Ų | 97 | 90.1 Ų | 90.1 | 80% | 0.802 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G182 | G182-A184 PolarHBondContact O-N 3.15Å; G182-A184 VanDerWaalsContact O-N 3.17Å |
| 185 | F | 88 | Confident | 91.6 | Very high | 99 Ų | 99 | 93.5 Ų | 93.5 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -96.6 | 148.4 | 179.4 | -65 | -68.8 | 0 | 0 | 0 | 110.7 | Q180 G182 A183 S187 G188 | Q180-F185 HydrophobicContact CG-CD2 4.13Å; Q180-F185 HydrophobicContact CG-CE2 3.98Å; Q180-F185 HydrophobicContact CG-CZ 4.46Å; G182-F185 PolarHBondContact O-N 3.44Å; G182-F185 VanDerWaalsContact O-O 3.11Å; A183-F185 VanDerWaalsContact C-N 3.34Å; F185-S187 PolarHBondContact O-N 3.17Å; F185-S187 VanDerWaalsContact O-N 3.09Å; F185-G188 PolarHBondContact O-N 3.21Å |
| 186 | N | 86.8 | Confident | 91.5 | Very high | 50 Ų | 50 | 90.8 Ų | 90.8 | 27% | 0.267 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | 52.7 | 33.4 | 175.8 | -162.4 | 38.1 | 0 | 0 | 0 | 113.6 | G188 A189 Q191 | N186-G188 PolarHBondContact O-N 3.02Å; N186-G188 VanDerWaalsContact O-N 3.08Å; N186-A189 PolarHBondContact ND2-O 3.25Å; N186-A189 WeakPolarHBondContact O-CB 3.38Å; N186-A189 PolarHBondContact O-N 3.41Å; N186-Q191 VanDerWaalsContact ND2-C 3.33Å; N186-Q191 PolarHBondContact ND2-O 3.39Å |
| 187 | S | 88.2 | Confident | 91.5 | Very high | 128 Ų | 128 | 89.9 Ų | 89.9 | 90% | 0.895 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | 49.7 | 34.2 | -176.3 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | F185 A189 | F185-S187 PolarHBondContact O-N 3.17Å; F185-S187 VanDerWaalsContact O-N 3.09Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.12Å |
| 188 | G | 86.8 | Confident | 91.3 | Very high | 46 Ų | 46 | 91.6 Ų | 91.6 | 47% | 0.474 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | 81.7 | -4.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A183 F185 N186 | A183-G188 PolarHBondContact O-N 2.94Å; F185-G188 PolarHBondContact O-N 3.21Å; N186-G188 PolarHBondContact O-N 3.02Å; N186-G188 VanDerWaalsContact O-N 3.08Å |
| 189 | A | 90.8 | Very high | 91.2 | Very high | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | trans | -76.3 | 136 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N186 S187 Q191 | N186-A189 PolarHBondContact ND2-O 3.25Å; N186-A189 WeakPolarHBondContact O-CB 3.38Å; N186-A189 PolarHBondContact O-N 3.41Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.12Å; A189-Q191 VanDerWaalsContact C-N 3.28Å; A189-Q191 PolarHBondContact O-N 3.39Å | ||
| 190 | K | 92.4 | Very high | 91.1 | Very high | 161 Ų | 161 | 100.5 Ų | 100.5 | 70% | 0.7 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -68.7 | -26 | 176.6 | -69.1 | -178.2 | 178.4 | 179.4 | 0 | 113.4 | P178 | P178-K190 WeakPolarHBondContact CD-O 3.5Š|
| 191 | Q | 94.1 | Very high | 90.9 | Very high | 76 Ų | 76 | 100.9 Ų | 100.9 | 36% | 0.355 | 55% | 0.55 | S | S | . | . | trans | -135.7 | 157 | -175.2 | -61.8 | -177.1 | -22.8 | 0 | 0 | 110.1 | R175 Y176 T177 N186 A189 | R175-Q191 VanDerWaalsContact CD-OE1 3.28Å; Y176-Q191 WeakPolarHBondContact O-CA 3.46Å; T177-Q191 HydrophobicContact CG2-CG 4.27Å; T177-Q191 WeakPolarHBondContact OG1-CG 3.4Å; T177-Q191 PolarHBondContact OG1-NE2 3.06Å; T177-Q191 VanDerWaalsContact OG1-NE2 3.08Å; N186-Q191 VanDerWaalsContact ND2-C 3.33Å; N186-Q191 PolarHBondContact ND2-O 3.39Å; A189-Q191 VanDerWaalsContact C-N 3.28Å; A189-Q191 PolarHBondContact O-N 3.39Å | ||
| 192 | R | 92.8 | Very high | 91 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 39% | 0.385 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.5 | 170.1 | 65.3 | -173.9 | 88.5 | 172.5 | 5.2 | 109.4 | Y176 V194 | Y176-R192 HydrophobicContact CD1-CG 3.84Å; Y176-R192 HydrophobicContact CG-CG 4.44Å; Y176-R192 PolarHBondContact N-O 3.35Å; Y176-R192 PolarHBondContact O-N 3.09Å; R192-V194 HydrophobicContact CG-CG2 4.18Å |
| 193 | L | 94.2 | Very high | 90.9 | Very high | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.7 | 169.7 | -85.3 | 73.1 | 0 | 0 | 0 | 107.9 | ||
| 194 | V | 94.5 | Very high | 90.8 | Very high | 52 Ų | 52 | 105.4 Ų | 105.4 | 32% | 0.315 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.6 | 178.2 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | Y173 I174 R192 M196 | Y173-V194 CarbonylContact C-O 3.51Å; Y173-V194 WeakPolarHBondContact CA-O 3.42Å; I174-V194 PolarHBondContact N-O 2.86Å; I174-V194 PolarHBondContact O-N 3.3Å; R192-V194 HydrophobicContact CG-CG2 4.18Å; V194-M196 HydrophobicContact CG1-CG 4.38Å; V194-M196 HydrophobicContact CG1-SD 3.75Å |
| 195 | R | 96.1 | Very high | 90.7 | Very high | 156 Ų | 156 | 104.6 Ų | 104.6 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 109.5 | 169.8 | -174.7 | -174.9 | 177.3 | -171.2 | -1.3 | 108.3 | A171 E172 Y173 V197 | A171-R195 HydrophobicContact CB-CG 4.09Å; E172-R195 CarbonylContact O-C 3.56Å; E172-R195 WeakPolarHBondContact O-CA 3.44Å; Y173-R195 HydrophobicContact CD1-CB 3.99Å; Y173-R195 HydrophobicContact CD1-CG 4.27Å; Y173-R195 HydrophobicContact CE1-CB 3.72Å; Y173-R195 HydrophobicContact CE1-CG 3.76Å; Y173-R195 HydrophobicContact CE2-CG 4.38Å; R195-V197 HydrophobicContact CG-CG2 4.1Å |
| 196 | M | 95.2 | Very high | 90.7 | Very high | 99 Ų | 99 | 104.6 Ų | 104.6 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.4 | 173.2 | -63.4 | -60.1 | -70 | 0 | 0 | 108.9 | A171 E172 I174 V194 | A171-M196 WeakPolarHBondContact CA-O 3.28Å; E172-M196 PolarHBondContact N-O 2.74Å; E172-M196 PolarHBondContact O-N 3.31Å; I174-M196 HydrophobicContact CD1-CG 3.63Å; I174-M196 HydrophobicContact CG1-CG 4.1Å; V194-M196 HydrophobicContact CG1-CG 4.38Å; V194-M196 HydrophobicContact CG1-SD 3.75Å |
| 197 | V | 94.2 | Very high | 90.9 | Very high | 91 Ų | 91 | 107.9 Ų | 107.9 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | trans | -129 | 125.2 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 107 | A171 R195 M199 | A171-V197 HydrophobicContact CB-CG2 3.89Å; R195-V197 HydrophobicContact CG-CG2 4.1Å; V197-M199 PolarHBondContact O-N 3.1Å | ||
| 198 | E | 90.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 107.6 Ų | 107.6 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 125.8 | 173.7 | -173 | 172.8 | -171.8 | 0 | 0 | 109.5 | N169 Q200 | N169-E198 PolarHBondContact ND2-OE2 3.07Å; E198-Q200 PolarHBondContact O-N 3.09Å |
| 199 | M | 91.3 | Very high | 91.5 | Very high | 157 Ų | 157 | 113.7 Ų | 113.7 | 77% | 0.773 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 123.1 | 178.2 | -176.5 | 174.2 | 68.6 | 0 | 0 | 109.3 | V197 K201 | V197-M199 PolarHBondContact O-N 3.1Å; M199-K201 PolarHBondContact O-N 3.09Å |
| 200 | Q | 89.8 | Confident | 91.6 | Very high | 156 Ų | 156 | 120.1 Ų | 120.1 | 73% | 0.729 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 122.3 | 178.8 | -171.6 | 175 | 9.5 | 0 | 0 | 110.3 | T168 E198 | T168-Q200 HydrophobicContact CG2-CB 3.77Å; T168-Q200 HydrophobicContact CG2-CG 3.88Å; E198-Q200 PolarHBondContact O-N 3.09Å |
| 201 | K | 87.1 | Confident | 91.6 | Very high | 134 Ų | 134 | 120 Ų | 120 | 58% | 0.583 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 132 | -179.9 | -170.7 | 177.4 | 179.2 | -177.8 | 0 | 110.3 | M199 P203 | M199-K201 PolarHBondContact O-N 3.09Å; K201-P203 WeakPolarHBondContact O-CD 3.28Å |
| 202 | D | 89.1 | Confident | 91.7 | Very high | 86 Ų | 86 | 122.4 Ų | 122.4 | 46% | 0.46 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 121.5 | 175.5 | 176.5 | 3.8 | 0 | 0 | 0 | 109.9 | M204 E205 | D202-M204 PolarHBondContact O-N 3.13Å; D202-M204 PolarHBondContact OD1-N 3.26Å; D202-E205 HydrophobicContact CB-CB 3.83Å; D202-E205 PolarHBondContact O-N 3.16Å |
| 203 | P | 86.3 | Confident | 91.7 | Very high | 98 Ų | 98 | 125.1 Ų | 125.1 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -17.8 | 178.4 | 28 | -35.7 | 0 | 0 | 0 | 113.9 | K201 | K201-P203 WeakPolarHBondContact O-CD 3.28Š|
| 204 | M | 87.5 | Confident | 91.7 | Very high | 163 Ų | 163 | 129.6 Ų | 129.6 | 80% | 0.803 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -3 | 179 | -58.7 | -58.4 | -70.6 | 0 | 0 | 113.1 | D202 P206 | D202-M204 PolarHBondContact O-N 3.13Å; D202-M204 PolarHBondContact OD1-N 3.26Å; M204-P206 WeakPolarHBondContact O-CD 3.39Å |
| 205 | E | 88.3 | Confident | 91.7 | Very high | 80 Ų | 80 | 133.7 Ų | 133.7 | 37% | 0.374 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 122.5 | -179.9 | -176.9 | 174.5 | -138.7 | 0 | 0 | 110.8 | D202 K208 | D202-E205 HydrophobicContact CB-CB 3.83Å; D202-E205 PolarHBondContact O-N 3.16Å; E205-K208 WeakPolarHBondContact OE1-CE 3.25Å; E205-K208 IonicContact OE1-NZ 3.14Å; E205-K208 PolarHBondContact OE1-NZ 3.08Å; E205-K208 VanDerWaalsContact OE1-NZ 3.14Å; E205-K208 WeakPolarHBondContact OE2-CE 3.28Å; E205-K208 IonicContact OE2-NZ 3.02Å; E205-K208 PolarHBondContact OE2-NZ 3.29Å |
| 206 | P | 89.6 | Confident | 91.7 | Very high | 98 Ų | 98 | 131.9 Ų | 131.9 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 165.7 | 176.5 | 29.9 | -35.2 | 0 | 0 | 0 | 111.7 | M204 K208 | M204-P206 WeakPolarHBondContact O-CD 3.39Å; P206-K208 PolarHBondContact O-N 3.37Å; P206-K208 VanDerWaalsContact O-N 3.13Å |
| 207 | P | 90.3 | Very high | 91.7 | Very high | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 119.6 | 175 | -25.9 | 34.9 | 0 | 0 | 0 | 112.7 | F209 | P207-F209 PolarHBondContact O-N 3.43Š|
| 208 | K | 92.1 | Very high | 91.7 | Very high | 123 Ų | 123 | 136.9 Ų | 136.9 | 54% | 0.535 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -61.7 | -34.5 | -173.9 | -68.9 | -179.3 | 175.7 | 175.9 | 0 | 115 | E205 P206 | E205-K208 WeakPolarHBondContact OE1-CE 3.25Å; E205-K208 IonicContact OE1-NZ 3.14Å; E205-K208 PolarHBondContact OE1-NZ 3.08Å; E205-K208 VanDerWaalsContact OE1-NZ 3.14Å; E205-K208 WeakPolarHBondContact OE2-CE 3.28Å; E205-K208 IonicContact OE2-NZ 3.02Å; E205-K208 PolarHBondContact OE2-NZ 3.29Å; P206-K208 PolarHBondContact O-N 3.37Å; P206-K208 VanDerWaalsContact O-N 3.13Å |
| 209 | F | 94.2 | Very high | 91.9 | Very high | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.763 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -127.6 | 148.9 | -169.1 | -51.4 | -64.2 | 0 | 0 | 0 | 111.8 | P207 I211 | P207-F209 PolarHBondContact O-N 3.43Å; F209-I211 PolarHBondContact O-N 3.08Å |
| 210 | K | 93.5 | Very high | 92 | Very high | 186 Ų | 186 | 136 Ų | 136 | 81% | 0.809 | 70% | 0.7 | S | S | * | * | trans | -75 | 121.1 | 174.6 | -66.2 | -177.8 | -179.8 | 177.9 | 0 | 110 | ||||
| 211 | I | 93.6 | Very high | 92.1 | Very high | 158 Ų | 158 | 132.1 Ų | 132.1 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | -94.6 | -8.1 | -178.4 | -57.4 | 165.3 | 0 | 0 | 0 | 112 | F209 Q213 | F209-I211 PolarHBondContact O-N 3.08Å; I211-Q213 PolarHBondContact O-N 3.01Å | ||
| 212 | N | 94.4 | Very high | 92.3 | Very high | 127 Ų | 127 | 127.8 Ų | 127.8 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | trans | -81.3 | 11.6 | -174 | 68.4 | -32.3 | 0 | 0 | 0 | 114.9 | K214 | N212-K214 PolarHBondContact O-N 3.17Š| ||
| 213 | Q | 94.1 | Very high | 92.4 | Very high | 160 Ų | 160 | 128.9 Ų | 128.9 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | trans | -68.6 | 113.5 | 176.6 | -172.9 | 174.6 | 3.3 | 0 | 0 | 109.9 | I211 I215 | I211-Q213 PolarHBondContact O-N 3.01Å; Q213-I215 PolarHBondContact O-N 2.95Å | ||
| 214 | K | 94.7 | Very high | 92.7 | Very high | 203 Ų | 203 | 128.8 Ų | 128.8 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | trans | -86.6 | 109.7 | 178 | -64.4 | -177.7 | -178.1 | -179.7 | 0 | 109.5 | N212 | N212-K214 PolarHBondContact O-N 3.17Š| ||
| 215 | I | 94.2 | Very high | 93 | Very high | 137 Ų | 137 | 122.8 Ų | 122.8 | 70% | 0.703 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 146.8 | 170 | 56.6 | 176.1 | 0 | 0 | 0 | 110 | Q213 | Q213-I215 PolarHBondContact O-N 2.95Š|
| 216 | P | 95.8 | Very high | 93.3 | Very high | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 153.1 | 168.5 | -22.4 | 33.4 | 0 | 0 | 0 | 110.6 | G218 | P216-G218 PolarHBondContact O-N 3.23Š|
| 217 | R | 95.6 | Very high | 93.5 | Very high | 245 Ų | 245 | 124 Ų | 124 | 93% | 0.925 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 130.5 | 172.3 | -170.9 | 178.1 | -70 | -97.6 | 1 | 108.3 | ||
| 218 | G | 93.8 | Very high | 93.7 | Very high | 50 Ų | 50 | 124.6 Ų | 124.6 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 168.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P216 | P216-G218 PolarHBondContact O-N 3.23Š|
| 219 | P | 94.3 | Very high | 93.8 | Very high | 125 Ų | 125 | 123.1 Ų | 123.1 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 143.9 | 174.5 | 26.2 | -33.8 | 0 | 0 | 0 | 109.6 | ||
| 220 | P | 93.6 | Very high | 93.7 | Very high | 116 Ų | 116 | 120.4 Ų | 120.4 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 167.5 | 171.2 | 30.6 | -35.1 | 0 | 0 | 0 | 109.5 | ||
| 221 | S | 91.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 116.2 Ų | 116.2 | 52% | 0.517 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -57 | 150.7 | 164.9 | 63.6 | 0 | 0 | 0 | 0 | 110 | ||
| 222 | P | 91.5 | Very high | 93.8 | Very high | 42 Ų | 42 | 119.4 Ų | 119.4 | 27% | 0.273 | 66% | 0.66 | S | S | . | * | trans | -43.4 | 135.3 | 177.1 | -23.6 | 24.1 | 0 | 0 | 0 | 111.6 | Q100 | Q100-P222 WeakPolarHBondContact O-CG 3.3Š| ||
| 223 | P | 91.5 | Very high | 93.8 | Very high | 109 Ų | 109 | 123 Ų | 123 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.5 | -174.1 | 25.9 | -33.2 | 0 | 0 | 0 | 109.6 | ||
| 224 | P | 92.7 | Very high | 93.8 | Very high | 96 Ų | 96 | 119.5 Ų | 119.5 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -66 | 151.1 | 173.9 | 29 | -34.2 | 0 | 0 | 0 | 110.2 | ||
| 225 | P | 94.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 113.5 Ų | 113.5 | 24% | 0.24 | 64% | 0.64 | C | S | . | * | P | Polyproline II helix | trans | -59.1 | 140.4 | 174.4 | -25.6 | 37.5 | 0 | 0 | 0 | 112 | V98 I108 Y109 M227 | V98-P225 HydrophobicContact CB-CG 4.31Å; V98-P225 VanDerWaalsContact CG1-CD 3.47Å; V98-P225 HydrophobicContact CG1-CG 3.38Å; V98-P225 HydrophobicContact CG2-CG 4.01Å; I108-P225 HydrophobicContact CG2-CG 4.22Å; Y109-P225 WeakPolarHBondContact O-CD 3.43Å; Y109-P225 VanDerWaalsContact O-CG 3.27Å; Y109-P225 WeakPolarHBondContact O-CG 3.48Å; P225-M227 HydrophobicContact CB-SD 4.18Å; P225-M227 PolarHBondContact O-N 3.45Å |
| 226 | L | 94.1 | Very high | 93.9 | Very high | 145 Ų | 145 | 112.1 Ų | 112.1 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | trans | -82.3 | 101.6 | 177.2 | -65.3 | 177.7 | 0 | 0 | 0 | 110 | H228 | L226-H228 VanDerWaalsContact C-N 3.27Å; L226-H228 PolarHBondContact O-N 3.02Å; L226-H228 VanDerWaalsContact O-N 3.1Å | ||
| 227 | M | 93 | Very high | 94 | Very high | 60 Ų | 60 | 113.4 Ų | 113.4 | 30% | 0.296 | 63% | 0.631 | S | S | . | * | trans | -87.4 | 59 | -176.6 | -61.3 | -53.6 | -85.3 | 0 | 0 | 111.2 | K111 D114 L115 P225 | K111-M227 VanDerWaalsContact O-CE 3.25Å; K111-M227 WeakPolarHBondContact O-CE 3.48Å; D114-M227 HydrophobicContact CB-CE 3.81Å; L115-M227 HydrophobicContact CD1-CE 4.27Å; L115-M227 HydrophobicContact CD2-CB 3.57Å; L115-M227 HydrophobicContact CD2-CE 4.02Å; L115-M227 VanDerWaalsContact CD2-O 3.3Å; L115-M227 WeakPolarHBondContact CD2-O 3.43Å; L115-M227 HydrophobicContact CG-CB 4.48Å; L115-M227 HydrophobicContact CG-CE 3.64Å; P225-M227 HydrophobicContact CB-SD 4.18Å; P225-M227 PolarHBondContact O-N 3.45Å | ||
| 228 | H | 94.4 | Very high | 94 | Very high | 131 Ų | 131 | 105.7 Ų | 105.7 | 61% | 0.606 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 157.4 | 178.8 | -66.1 | -45.3 | 0 | 0 | 0 | 112.6 | L226 | L226-H228 VanDerWaalsContact C-N 3.27Å; L226-H228 PolarHBondContact O-N 3.02Å; L226-H228 VanDerWaalsContact O-N 3.1Å |
| 229 | S | 93.9 | Very high | 94.1 | Very high | 91 Ų | 91 | 109.3 Ų | 109.3 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 158.2 | 160.4 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | A231 | S229-A231 PolarHBondContact O-N 3.37Š|
| 230 | P | 93.4 | Very high | 94.2 | Very high | 117 Ų | 117 | 109.6 Ų | 109.6 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 140.1 | 169.3 | -27.3 | 35.5 | 0 | 0 | 0 | 111.8 | R232 | P230-R232 PolarHBondContact O-N 3.13Š|
| 231 | A | 94.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 109.6 Ų | 109.6 | 81% | 0.81 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -58 | 126.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S229 K233 | S229-A231 PolarHBondContact O-N 3.37Å; A231-K233 PolarHBondContact O-N 3.44Å |
| 232 | R | 94.3 | Very high | 94.6 | Very high | 225 Ų | 225 | 115.2 Ų | 115.2 | 85% | 0.849 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 135.2 | 174.7 | -59.8 | -173 | -152 | 165 | 5.8 | 108.6 | P230 V234 | P230-R232 PolarHBondContact O-N 3.13Å; R232-V234 PolarHBondContact O-N 3.06Å |
| 233 | K | 94.4 | Very high | 94.9 | Very high | 202 Ų | 202 | 121.2 Ų | 121.2 | 88% | 0.878 | 63% | 0.625 | S | S | * | * | trans | -70.2 | 105.3 | 176.9 | -66.7 | -175.9 | -179.9 | -179.2 | 0 | 108.9 | A231 T235 | A231-K233 PolarHBondContact O-N 3.44Å; K233-T235 PolarHBondContact O-N 3.48Å | ||
| 234 | V | 94.2 | Very high | 95.1 | Very high | 87 Ų | 87 | 123.1 Ų | 123.1 | 53% | 0.527 | 63% | 0.628 | S | S | . | * | trans | -68.3 | 126.1 | 174.5 | 180 | 0 | 0 | 0 | 0 | 108.6 | R232 E238 Q239 | R232-V234 PolarHBondContact O-N 3.06Å; V234-E238 HydrophobicContact CG1-CB 4.45Å; V234-E238 HydrophobicContact CG1-CG 4.43Å; V234-Q239 HydrophobicContact CG1-CB 4.21Å | ||
| 235 | T | 95.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 123.6 Ų | 123.6 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | trans | -79.5 | 150.4 | 176.2 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | K233 K237 E238 Q239 | K233-T235 PolarHBondContact O-N 3.48Å; T235-K237 PolarHBondContact O-N 3.45Å; T235-E238 PolarHBondContact N-OE2 3.09Å; T235-E238 PolarHBondContact O-N 3.09Å; T235-E238 VanDerWaalsContact O-N 3.15Å; T235-E238 WeakPolarHBondContact OG1-CB 3.19Å; T235-E238 PolarHBondContact OG1-N 3.1Å; T235-E238 VanDerWaalsContact OG1-N 3.09Å; T235-Q239 PolarHBondContact O-N 3.2Å | ||
| 236 | V | 96.3 | Very high | 95.2 | Very high | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -58.3 | -36.4 | 176 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | Q239 Q240 | V236-Q239 PolarHBondContact O-N 3.16Å; V236-Q240 VanDerWaalsContact O-CG 3.31Å; V236-Q240 WeakPolarHBondContact O-CG 3.41Å; V236-Q240 PolarHBondContact O-N 3.08Å |
| 237 | K | 96.2 | Very high | 95.2 | Very high | 145 Ų | 145 | 126.2 Ų | 126.2 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.2 | -52.7 | 174.4 | -177.4 | -177.4 | 176 | -175.7 | 0 | 111.3 | T235 Q239 Q240 D241 | T235-K237 PolarHBondContact O-N 3.45Å; K237-Q239 VanDerWaalsContact C-N 3.3Å; K237-Q239 PolarHBondContact O-N 3.09Å; K237-Q240 WeakPolarHBondContact O-CB 3.04Å; K237-Q240 PolarHBondContact O-N 2.95Å; K237-D241 VanDerWaalsContact O-CG 3.29Å; K237-D241 PolarHBondContact O-N 3.15Å |
| 238 | E | 96.6 | Very high | 95.2 | Very high | 84 Ų | 84 | 125.4 Ų | 125.4 | 39% | 0.393 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -57.2 | -44.6 | 177.3 | -178.9 | 179.2 | -166.8 | 0 | 0 | 111.3 | V234 T235 Q240 D241 W242 | V234-E238 HydrophobicContact CG1-CB 4.45Å; V234-E238 HydrophobicContact CG1-CG 4.43Å; T235-E238 PolarHBondContact N-OE2 3.09Å; T235-E238 PolarHBondContact O-N 3.09Å; T235-E238 VanDerWaalsContact O-N 3.15Å; T235-E238 WeakPolarHBondContact OG1-CB 3.19Å; T235-E238 PolarHBondContact OG1-N 3.1Å; T235-E238 VanDerWaalsContact OG1-N 3.09Å; E238-Q240 VanDerWaalsContact C-N 3.25Å; E238-Q240 PolarHBondContact O-N 3.1Å; E238-D241 PolarHBondContact O-N 3.01Å; E238-W242 PolarHBondContact O-N 3.38Å |
| 239 | Q | 96.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 120.9 Ų | 120.9 | 59% | 0.589 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.7 | -33.8 | 176.5 | -174.1 | 61.8 | 42.6 | 0 | 0 | 113.1 | V234 T235 V236 K237 | V234-Q239 HydrophobicContact CG1-CB 4.21Å; T235-Q239 PolarHBondContact O-N 3.2Å; V236-Q239 PolarHBondContact O-N 3.16Å; K237-Q239 VanDerWaalsContact C-N 3.3Å; K237-Q239 PolarHBondContact O-N 3.09Å |
| 240 | Q | 96.8 | Very high | 95.1 | Very high | 131 Ų | 131 | 119.8 Ų | 119.8 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.4 | -41.4 | 176.7 | -73.3 | 175.1 | -0 | 0 | 0 | 112.1 | V236 K237 E238 W242 K243 | V236-Q240 VanDerWaalsContact O-CG 3.31Å; V236-Q240 WeakPolarHBondContact O-CG 3.41Å; V236-Q240 PolarHBondContact O-N 3.08Å; K237-Q240 WeakPolarHBondContact O-CB 3.04Å; K237-Q240 PolarHBondContact O-N 2.95Å; E238-Q240 VanDerWaalsContact C-N 3.25Å; E238-Q240 PolarHBondContact O-N 3.1Å; Q240-W242 PolarHBondContact O-N 2.71Å; Q240-K243 WeakPolarHBondContact O-CB 3.47Å; Q240-K243 PolarHBondContact O-N 3.46Å |
| 241 | D | 97 | Very high | 95.1 | Very high | 116 Ų | 116 | 124.6 Ų | 124.6 | 62% | 0.62 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.5 | -34.2 | 177.6 | -67.8 | -18.6 | 0 | 0 | 0 | 111.1 | K237 E238 K243 | K237-D241 VanDerWaalsContact O-CG 3.29Å; K237-D241 PolarHBondContact O-N 3.15Å; E238-D241 PolarHBondContact O-N 3.01Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.12Å |
| 242 | W | 96.3 | Very high | 95.2 | Very high | 192 Ų | 192 | 127.7 Ų | 127.7 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 6.3 | 175.9 | -73 | 105.8 | 0 | 0 | 0 | 114.6 | E238 Q240 I244 | E238-W242 PolarHBondContact O-N 3.38Å; Q240-W242 PolarHBondContact O-N 2.71Å; W242-I244 PolarHBondContact O-N 3.38Å; W242-I244 VanDerWaalsContact O-N 3.1Å |
| 243 | K | 97.1 | Very high | 95.2 | Very high | 167 Ų | 167 | 119.8 Ų | 119.8 | 73% | 0.726 | 60% | 0.597 | S | S | * | * | trans | -75.4 | 102.2 | 177.1 | -170.5 | 176.7 | -178 | 177.8 | 0 | 110.5 | Q240 D241 P245 | Q240-K243 WeakPolarHBondContact O-CB 3.47Å; Q240-K243 PolarHBondContact O-N 3.46Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.12Å; K243-P245 WeakPolarHBondContact O-CD 3.31Å | ||
| 244 | I | 96 | Very high | 95.3 | Very high | 150 Ų | 150 | 116.3 Ų | 116.3 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 121.5 | 178.8 | -56.2 | 177 | 0 | 0 | 0 | 110.2 | W242 | W242-I244 PolarHBondContact O-N 3.38Å; W242-I244 VanDerWaalsContact O-N 3.1Å |
| 245 | P | 94.4 | Very high | 95.3 | Very high | 105 Ų | 105 | 121.3 Ų | 121.3 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 149.1 | 174.9 | -23.5 | 34.8 | 0 | 0 | 0 | 112.4 | K243 C247 | K243-P245 WeakPolarHBondContact O-CD 3.31Å; P245-C247 PolarHBondContact O-N 3.09Å |
| 246 | P | 94.4 | Very high | 95.3 | Very high | 110 Ų | 110 | 120.3 Ų | 120.3 | 71% | 0.714 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.3 | 176.8 | 27.6 | -34.5 | 0 | 0 | 0 | 110.8 | I248 | P246-I248 PolarHBondContact O-N 3.48Å; P246-I248 VanDerWaalsContact O-N 3.13Å |
| 247 | C | 93.9 | Very high | 95.3 | Very high | 127 Ų | 127 | 121.4 Ų | 121.4 | 86% | 0.858 | 60% | 0.603 | S | S | * | * | trans | -75 | 104.8 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 110 | P245 | P245-C247 PolarHBondContact O-N 3.09Š| ||
| 248 | I | 94.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 121.4 Ų | 121.4 | 22% | 0.221 | 62% | 0.616 | C | S | . | * | trans | -98.3 | 100.2 | 170.9 | -62.8 | 173.4 | 0 | 0 | 0 | 107.2 | P246 I259 K263 | P246-I248 PolarHBondContact O-N 3.48Å; P246-I248 VanDerWaalsContact O-N 3.13Å; I248-I259 HydrophobicContact CD1-CG2 4.04Å; I248-I259 HydrophobicContact CG1-CD1 4.38Å; I248-I259 HydrophobicContact CG2-CD1 3.79Å; I248-I259 HydrophobicContact CG2-CG2 3.99Å; I248-K263 HydrophobicContact CD1-CB 3.74Å; I248-K263 WeakPolarHBondContact CD1-O 3.21Å | ||
| 249 | S | 93 | Very high | 95.2 | Very high | 36 Ų | 36 | 119.1 Ų | 119.1 | 25% | 0.252 | 61% | 0.606 | S | S | . | * | trans | -84.2 | 136.8 | -178.2 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | W251 K252 | S249-W251 PolarHBondContact O-N 3.27Å; S249-W251 PolarHBondContact OG-N 3.05Å; S249-W251 VanDerWaalsContact OG-N 3.09Å; S249-K252 WeakPolarHBondContact CB-O 3.33Å; S249-K252 PolarHBondContact OG-N 2.86Å; S249-K252 VanDerWaalsContact OG-N 3.09Å | ||
| 250 | N | 92.4 | Very high | 95.2 | Very high | 68 Ų | 68 | 116.9 Ų | 116.9 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -72.1 | -11.5 | 169.3 | -72.6 | -29.7 | 0 | 0 | 0 | 113.1 | R264 | N250-R264 PolarHBondContact OD1-O 3.34Å; N250-R264 VanDerWaalsContact OD1-O 3.07Å |
| 251 | W | 93.9 | Very high | 95 | Very high | 218 Ų | 218 | 117.3 Ų | 117.3 | 83% | 0.826 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -110.8 | -37.9 | -176.9 | -62.3 | -91.1 | 0 | 0 | 0 | 113.9 | S249 | S249-W251 PolarHBondContact O-N 3.27Å; S249-W251 PolarHBondContact OG-N 3.05Å; S249-W251 VanDerWaalsContact OG-N 3.09Å |
| 252 | K | 95 | Very high | 94.8 | Very high | 163 Ų | 163 | 116.2 Ų | 116.2 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | trans | -125.5 | 128.4 | -169.5 | -64.8 | -63 | -177 | -176.3 | 0 | 112.2 | S249 | S249-K252 WeakPolarHBondContact CB-O 3.33Å; S249-K252 PolarHBondContact OG-N 2.86Å; S249-K252 VanDerWaalsContact OG-N 3.09Å | ||
| 253 | N | 94.9 | Very high | 94.7 | Very high | 59 Ų | 59 | 112.2 Ų | 112.2 | 32% | 0.316 | 59% | 0.59 | S | S | . | * | trans | -136.1 | 77.6 | 172.5 | -176.3 | 7.6 | 0 | 0 | 0 | 109.1 | R255 G256 Y257 | N253-R255 PolarHBondContact O-N 3.27Å; N253-G256 VanDerWaalsContact ND2-C 3.33Å; N253-G256 PolarHBondContact O-N 3.03Å; N253-G256 VanDerWaalsContact O-N 3.09Å; N253-G256 PolarHBondContact OD1-N 3.42Å; N253-G256 VanDerWaalsContact OD1-N 3.16Å; N253-Y257 PolarHBondContact ND2-N 3.03Å; N253-Y257 PolarHBondContact ND2-O 3.35Å; N253-Y257 PolarHBondContact OD1-N 2.95Å | ||
| 254 | P | 96.3 | Very high | 94.5 | Very high | 130 Ų | 130 | 108.4 Ų | 108.4 | 84% | 0.844 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -26.2 | -169.2 | 25.8 | -34.8 | 0 | 0 | 0 | 113.3 | ||
| 255 | R | 95.6 | Very high | 94.2 | Very high | 192 Ų | 192 | 105.3 Ų | 105.3 | 73% | 0.725 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 2 | 178.9 | -68 | -172.5 | 174.5 | 170.4 | -1.6 | 113.6 | N253 Y257 | N253-R255 PolarHBondContact O-N 3.27Å; R255-Y257 VanDerWaalsContact C-N 3.3Å; R255-Y257 HydrophobicContact CB-CD1 4.44Å; R255-Y257 HydrophobicContact CB-CD2 4.01Å; R255-Y257 HydrophobicContact CB-CE1 4.11Å; R255-Y257 HydrophobicContact CB-CE2 3.64Å; R255-Y257 HydrophobicContact CB-CG 4.4Å; R255-Y257 VanDerWaalsContact CD-CZ 3.49Å; R255-Y257 WeakPolarHBondContact CD-OH 3.18Å; R255-Y257 HydrophobicContact CG-CE2 4.24Å; R255-Y257 PolarHBondContact NH1-OH 3.03Å; R255-Y257 VanDerWaalsContact NH1-OH 3.08Å; R255-Y257 PolarHBondContact O-N 3.15Å |
| 256 | G | 94.9 | Very high | 94 | Very high | 56 Ų | 56 | 103.9 Ų | 103.9 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | trans | 63.9 | 30.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N253 T258 | N253-G256 VanDerWaalsContact ND2-C 3.33Å; N253-G256 PolarHBondContact O-N 3.03Å; N253-G256 VanDerWaalsContact O-N 3.09Å; N253-G256 PolarHBondContact OD1-N 3.42Å; N253-G256 VanDerWaalsContact OD1-N 3.16Å; G256-T258 PolarHBondContact O-N 3.45Å | ||
| 257 | Y | 96.6 | Very high | 93.6 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | trans | -62.8 | 135.9 | 179.6 | -66 | -49.5 | 0 | 0 | 0 | 112.4 | N253 R255 I259 | N253-Y257 PolarHBondContact ND2-N 3.03Å; N253-Y257 PolarHBondContact ND2-O 3.35Å; N253-Y257 PolarHBondContact OD1-N 2.95Å; R255-Y257 VanDerWaalsContact C-N 3.3Å; R255-Y257 HydrophobicContact CB-CD1 4.44Å; R255-Y257 HydrophobicContact CB-CD2 4.01Å; R255-Y257 HydrophobicContact CB-CE1 4.11Å; R255-Y257 HydrophobicContact CB-CE2 3.64Å; R255-Y257 HydrophobicContact CB-CG 4.4Å; R255-Y257 VanDerWaalsContact CD-CZ 3.49Å; R255-Y257 WeakPolarHBondContact CD-OH 3.18Å; R255-Y257 HydrophobicContact CG-CE2 4.24Å; R255-Y257 PolarHBondContact NH1-OH 3.03Å; R255-Y257 VanDerWaalsContact NH1-OH 3.08Å; R255-Y257 PolarHBondContact O-N 3.15Å; Y257-I259 PolarHBondContact O-N 3.25Å | ||
| 258 | T | 95.9 | Very high | 93.1 | Very high | 145 Ų | 145 | 98.2 Ų | 98.2 | 89% | 0.89 | 52% | 0.523 | S | S | * | . | trans | -78.8 | 104.3 | 168.6 | -53.8 | 0 | 0 | 0 | 0 | 108.6 | G256 | G256-T258 PolarHBondContact O-N 3.45Š| ||
| 259 | I | 94.2 | Very high | 92.7 | Very high | 36 Ų | 36 | 98.3 Ų | 98.3 | 19% | 0.185 | 53% | 0.534 | C | S | . | . | trans | -102.7 | 124.4 | -176.9 | -56.5 | 175.2 | 0 | 0 | 0 | 108.7 | I248 Y257 K263 R264 | I248-I259 HydrophobicContact CD1-CG2 4.04Å; I248-I259 HydrophobicContact CG1-CD1 4.38Å; I248-I259 HydrophobicContact CG2-CD1 3.79Å; I248-I259 HydrophobicContact CG2-CG2 3.99Å; Y257-I259 PolarHBondContact O-N 3.25Å; I259-K263 HydrophobicContact CG2-CB 3.83Å; I259-R264 HydrophobicContact CG2-CB 4.43Å | ||
| 260 | P | 95.8 | Very high | 92.3 | Very high | 80 Ų | 80 | 104.9 Ų | 104.9 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | trans | -50.2 | 146.7 | 172.6 | -29.3 | 37.2 | 0 | 0 | 0 | 112.6 | D262 K263 R264 | P260-D262 VanDerWaalsContact C-N 3.31Å; P260-D262 WeakPolarHBondContact CB-OD1 3.09Å; P260-D262 PolarHBondContact O-N 3.13Å; P260-K263 HydrophobicContact CB-CG 4.43Å; P260-K263 PolarHBondContact O-N 3.38Å; P260-K263 VanDerWaalsContact O-N 3.14Å; P260-R264 PolarHBondContact O-N 3.07Å | ||
| 261 | L | 93.1 | Very high | 91.9 | Very high | 140 Ų | 140 | 105.2 Ų | 105.2 | 73% | 0.733 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.2 | -37.5 | -173.2 | -64.2 | 176.9 | 0 | 0 | 0 | 112.7 | K263 R264 V265 | L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.79Å; L261-R264 PolarHBondContact O-N 3.27Å; L261-V265 PolarHBondContact O-N 2.94Å; L261-V265 VanDerWaalsContact O-N 3.07Å |
| 262 | D | 92.5 | Very high | 91.6 | Very high | 92 Ų | 92 | 102.3 Ų | 102.3 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.8 | -43.2 | 175.9 | 69.5 | -44.8 | 0 | 0 | 0 | 111.1 | P260 A266 | P260-D262 VanDerWaalsContact C-N 3.31Å; P260-D262 WeakPolarHBondContact CB-OD1 3.09Å; P260-D262 PolarHBondContact O-N 3.13Å; D262-A266 WeakPolarHBondContact O-CA 3.05Å; D262-A266 WeakPolarHBondContact O-CB 3.47Å; D262-A266 PolarHBondContact O-N 3.35Å |
| 263 | K | 94.5 | Very high | 91.2 | Very high | 108 Ų | 108 | 101.4 Ų | 101.4 | 47% | 0.47 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.7 | -28.7 | 178.2 | -56.8 | -50.8 | -178.2 | -129.6 | 0 | 113.2 | I248 I259 P260 L261 | I248-K263 HydrophobicContact CD1-CB 3.74Å; I248-K263 WeakPolarHBondContact CD1-O 3.21Å; I259-K263 HydrophobicContact CG2-CB 3.83Å; P260-K263 HydrophobicContact CB-CG 4.43Å; P260-K263 PolarHBondContact O-N 3.38Å; P260-K263 VanDerWaalsContact O-N 3.14Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.79Å |
| 264 | R | 92.2 | Very high | 91 | Very high | 88 Ų | 88 | 103.1 Ų | 103.1 | 33% | 0.332 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.8 | -41.4 | 175 | -173.5 | 174.6 | -68.5 | -110.4 | 1 | 111.8 | N250 I259 P260 L261 | N250-R264 PolarHBondContact OD1-O 3.34Å; N250-R264 VanDerWaalsContact OD1-O 3.07Å; I259-R264 HydrophobicContact CG2-CB 4.43Å; P260-R264 PolarHBondContact O-N 3.07Å; L261-R264 PolarHBondContact O-N 3.27Å |
| 265 | V | 90.6 | Very high | 90.6 | Very high | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -93.6 | -9.2 | -179.1 | -170.6 | 0 | 0 | 0 | 0 | 112 | L261 A267 D268 | L261-V265 PolarHBondContact O-N 2.94Å; L261-V265 VanDerWaalsContact O-N 3.07Å; V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 PolarHBondContact O-N 2.71Å; V265-D268 HydrophobicContact CG1-CB 3.96Å; V265-D268 WeakPolarHBondContact O-CA 3.4Å; V265-D268 WeakPolarHBondContact O-CB 3.18Å; V265-D268 PolarHBondContact O-N 2.89Å |
| 266 | A | 89.4 | Confident | 90.4 | Very high | 75 Ų | 75 | 101.5 Ų | 101.5 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -37.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D262 D268 | D262-A266 WeakPolarHBondContact O-CA 3.05Å; D262-A266 WeakPolarHBondContact O-CB 3.47Å; D262-A266 PolarHBondContact O-N 3.35Å; A266-D268 PolarHBondContact O-N 3.34Å |
| 267 | A | 87 | Confident | 90.3 | Very high | 85 Ų | 85 | 105.4 Ų | 105.4 | 70% | 0.702 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -4.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V265 G269 | V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 PolarHBondContact O-N 2.71Å; A267-G269 PolarHBondContact O-N 3.16Å |
| 268 | D | 83.1 | Confident | 90.2 | Very high | 33 Ų | 33 | 103.4 Ų | 103.4 | 18% | 0.176 | 59% | 0.586 | C | S | . | * | trans | -85.7 | 100.2 | -175.9 | -156.5 | -23 | 0 | 0 | 0 | 110.3 | V265 A266 R270 | V265-D268 HydrophobicContact CG1-CB 3.96Å; V265-D268 WeakPolarHBondContact O-CA 3.4Å; V265-D268 WeakPolarHBondContact O-CB 3.18Å; V265-D268 PolarHBondContact O-N 2.89Å; A266-D268 PolarHBondContact O-N 3.34Å; D268-R270 PolarHBondContact O-N 3.15Å; D268-R270 WeakPolarHBondContact OD1-CG 3.41Å; D268-R270 IonicContact OD1-CZ 3.7Å; D268-R270 IonicContact OD1-NE 3.69Å; D268-R270 PolarHBondContact OD1-NE 3.32Å; D268-R270 IonicContact OD2-CZ 3.75Å; D268-R270 IonicContact OD2-NE 2.73Å; D268-R270 PolarHBondContact OD2-NE 2.95Å; D268-R270 IonicContact OD2-NH2 2.83Å; D268-R270 PolarHBondContact OD2-NH2 3.3Å | ||
| 269 | G | 84.9 | Confident | 90.2 | Very high | 44 Ų | 44 | 103.6 Ų | 103.6 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -63.7 | -0.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | A267 G271 L272 | A267-G269 PolarHBondContact O-N 3.16Å; G269-G271 PolarHBondContact O-N 2.96Å; G269-G271 VanDerWaalsContact O-N 3.15Å; G269-L272 PolarHBondContact O-N 2.92Å |
| 270 | R | 84.7 | Confident | 90.3 | Very high | 175 Ų | 175 | 106 Ų | 106 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -54.2 | -30.4 | 175.4 | -77 | -174.4 | -82.4 | 178.2 | -3.8 | 113.1 | D268 L272 Q273 | D268-R270 PolarHBondContact O-N 3.15Å; D268-R270 WeakPolarHBondContact OD1-CG 3.41Å; D268-R270 IonicContact OD1-CZ 3.7Å; D268-R270 IonicContact OD1-NE 3.69Å; D268-R270 PolarHBondContact OD1-NE 3.32Å; D268-R270 IonicContact OD2-CZ 3.75Å; D268-R270 IonicContact OD2-NE 2.73Å; D268-R270 PolarHBondContact OD2-NE 2.95Å; D268-R270 IonicContact OD2-NH2 2.83Å; D268-R270 PolarHBondContact OD2-NH2 3.3Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 2.91Å; R270-Q273 PolarHBondContact O-N 2.91Å |
| 271 | G | 84.2 | Confident | 90.4 | Very high | 75 Ų | 75 | 108.8 Ų | 108.8 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -70 | -21.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | G269 | G269-G271 PolarHBondContact O-N 2.96Å; G269-G271 VanDerWaalsContact O-N 3.15Å |
| 272 | L | 88.6 | Confident | 90.5 | Very high | 156 Ų | 156 | 104.9 Ų | 104.9 | 82% | 0.817 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -86.5 | -10.3 | 174.4 | -73 | 86.1 | 0 | 0 | 0 | 112.2 | G269 R270 | G269-L272 PolarHBondContact O-N 2.92Å; R270-L272 VanDerWaalsContact C-N 3.29Å; R270-L272 PolarHBondContact O-N 2.91Å |
| 273 | Q | 86.1 | Confident | 90.8 | Very high | 145 Ų | 145 | 106.6 Ų | 106.6 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | trans | -86.3 | 111.9 | 178 | -173.5 | 177.5 | 5.7 | 0 | 0 | 110 | R270 | R270-Q273 PolarHBondContact O-N 2.91Š| ||
| 274 | T | 89.7 | Confident | 90.9 | Very high | 94 Ų | 94 | 106.1 Ų | 106.1 | 58% | 0.577 | 59% | 0.587 | S | S | * | * | trans | -86.2 | 127.5 | 169.8 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | H276 | T274-H276 PolarHBondContact O-CE1 2.87Å; T274-H276 PolarHBondContact O-N 3.22Å; T274-H276 PolarHBondContact O-ND1 2.6Å; T274-H276 VanDerWaalsContact O-ND1 3.07Å; T274-H276 PolarHBondContact OG1-CE1 3.07Å; T274-H276 PolarHBondContact OG1-NE2 3.41Å; T274-H276 VanDerWaalsContact OG1-NE2 3.11Å | ||
| 275 | V | 89.1 | Confident | 91.2 | Very high | 128 Ų | 128 | 104.7 Ų | 104.7 | 78% | 0.776 | 59% | 0.594 | S | S | * | * | trans | -81.5 | 113 | 175 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 276 | H | 90.7 | Very high | 91.4 | Very high | 160 Ų | 160 | 107 Ų | 107 | 74% | 0.741 | 60% | 0.599 | S | S | * | * | trans | -100.4 | 131.1 | 176 | -51.8 | 92.8 | 0 | 0 | 0 | 109.2 | T274 | T274-H276 PolarHBondContact O-CE1 2.87Å; T274-H276 PolarHBondContact O-N 3.22Å; T274-H276 PolarHBondContact O-ND1 2.6Å; T274-H276 VanDerWaalsContact O-ND1 3.07Å; T274-H276 PolarHBondContact OG1-CE1 3.07Å; T274-H276 PolarHBondContact OG1-NE2 3.41Å; T274-H276 VanDerWaalsContact OG1-NE2 3.11Å | ||
| 277 | I | 93.3 | Very high | 91.8 | Very high | 138 Ų | 138 | 106 Ų | 106 | 71% | 0.708 | 59% | 0.59 | S | S | * | * | trans | -105.6 | 135.4 | 177.4 | -62.1 | 173.3 | 0 | 0 | 0 | 108.7 | F281 | I277-F281 HydrophobicContact CG2-CD2 3.71Å; I277-F281 HydrophobicContact CG2-CE2 4.39Å; I277-F281 HydrophobicContact CG2-CG 4.48Å | ||
| 278 | N | 94.8 | Very high | 92.3 | Very high | 90 Ų | 90 | 107.2 Ų | 107.2 | 48% | 0.481 | 58% | 0.584 | S | S | . | * | trans | -73.2 | 135.5 | -179.7 | -170.9 | -19.2 | 0 | 0 | 0 | 111.4 | N280 F281 | N278-N280 PolarHBondContact ND2-ND2 3.47Å; N278-N280 PolarHBondContact O-N 2.97Å; N278-N280 VanDerWaalsContact O-N 3.12Å; N278-N280 PolarHBondContact OD1-N 3.49Å; N278-N280 VanDerWaalsContact OD1-N 3.07Å; N278-N280 PolarHBondContact OD1-ND2 3.02Å; N278-F281 HydrophobicContact CB-CD2 4.08Å; N278-F281 HydrophobicContact CB-CE2 4.18Å; N278-F281 VanDerWaalsContact O-CD2 3.32Å; N278-F281 WeakPolarHBondContact O-CD2 3.2Å; N278-F281 PolarHBondContact O-N 3.18Å; N278-F281 VanDerWaalsContact O-N 3.12Å | ||
| 279 | E | 95.7 | Very high | 93 | Very high | 149 Ų | 149 | 113.6 Ų | 113.6 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -22.5 | 176.1 | -62.5 | -178.7 | 179.4 | 0 | 0 | 113.6 | F281 A282 K283 | E279-F281 PolarHBondContact O-N 2.89Å; E279-A282 WeakPolarHBondContact O-CB 2.96Å; E279-A282 PolarHBondContact O-N 3.07Å; E279-K283 PolarHBondContact O-N 3.25Å |
| 280 | N | 96.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 114.5 Ų | 114.5 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61 | -24.7 | 176.3 | -67.9 | -21.9 | 0 | 0 | 0 | 113.1 | N278 A282 K283 L284 | N278-N280 PolarHBondContact ND2-ND2 3.47Å; N278-N280 PolarHBondContact O-N 2.97Å; N278-N280 VanDerWaalsContact O-N 3.12Å; N278-N280 PolarHBondContact OD1-N 3.49Å; N278-N280 VanDerWaalsContact OD1-N 3.07Å; N278-N280 PolarHBondContact OD1-ND2 3.02Å; N280-A282 VanDerWaalsContact C-N 3.3Å; N280-A282 PolarHBondContact O-N 2.97Å; N280-K283 PolarHBondContact O-N 3.04Å; N280-L284 WeakPolarHBondContact O-CB 3.12Å; N280-L284 PolarHBondContact O-N 3.33Å |
| 281 | F | 97.2 | Very high | 94.2 | Very high | 138 Ų | 138 | 108.8 Ų | 108.8 | 61% | 0.605 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.8 | -35.7 | 173.2 | -72.7 | -68.5 | 0 | 0 | 0 | 111.9 | I277 N278 E279 A285 | I277-F281 HydrophobicContact CG2-CD2 3.71Å; I277-F281 HydrophobicContact CG2-CE2 4.39Å; I277-F281 HydrophobicContact CG2-CG 4.48Å; N278-F281 HydrophobicContact CB-CD2 4.08Å; N278-F281 HydrophobicContact CB-CE2 4.18Å; N278-F281 VanDerWaalsContact O-CD2 3.32Å; N278-F281 WeakPolarHBondContact O-CD2 3.2Å; N278-F281 PolarHBondContact O-N 3.18Å; N278-F281 VanDerWaalsContact O-N 3.12Å; E279-F281 PolarHBondContact O-N 2.89Å; F281-A285 WeakPolarHBondContact O-CB 3.17Å; F281-A285 PolarHBondContact O-N 2.91Å |
| 282 | A | 96.4 | Very high | 94.8 | Very high | 57 Ų | 57 | 108.8 Ų | 108.8 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.4 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E279 N280 L284 A285 E286 | E279-A282 WeakPolarHBondContact O-CB 2.96Å; E279-A282 PolarHBondContact O-N 3.07Å; N280-A282 VanDerWaalsContact C-N 3.3Å; N280-A282 PolarHBondContact O-N 2.97Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 2.86Å; A282-A285 PolarHBondContact O-N 2.96Å; A282-E286 WeakPolarHBondContact O-CG 3.46Å; A282-E286 PolarHBondContact O-N 3.11Å |
| 283 | K | 97.2 | Very high | 95.2 | Very high | 129 Ų | 129 | 107.6 Ų | 107.6 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.8 | -41.1 | 176.1 | -63.8 | 177.9 | -175.2 | 165.8 | 0 | 112.1 | E279 N280 A287 | E279-K283 PolarHBondContact O-N 3.25Å; N280-K283 PolarHBondContact O-N 3.04Å; K283-A287 VanDerWaalsContact O-CB 3.3Å; K283-A287 WeakPolarHBondContact O-CB 3.22Å; K283-A287 PolarHBondContact O-N 3.07Å |
| 284 | L | 97.2 | Very high | 95.7 | Very high | 98 Ų | 98 | 107.4 Ų | 107.4 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.9 | -45.4 | 177 | 179.7 | 64.2 | 0 | 0 | 0 | 111.7 | N280 A282 E286 A287 L288 | N280-L284 WeakPolarHBondContact O-CB 3.12Å; N280-L284 PolarHBondContact O-N 3.33Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 2.86Å; L284-E286 PolarHBondContact O-N 3.48Å; L284-A287 PolarHBondContact O-N 3.42Å; L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.36Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.25Å |
| 285 | A | 97.6 | Very high | 96.1 | Very high | 58 Ų | 58 | 105.3 Ų | 105.3 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F281 A282 L288 Y289 | F281-A285 WeakPolarHBondContact O-CB 3.17Å; F281-A285 PolarHBondContact O-N 2.91Å; A282-A285 PolarHBondContact O-N 2.96Å; A285-L288 PolarHBondContact O-N 3.44Å; A285-Y289 WeakPolarHBondContact O-CB 3.36Å; A285-Y289 PolarHBondContact O-N 3.14Å |
| 286 | E | 96.5 | Very high | 96.4 | Very high | 134 Ų | 134 | 107.1 Ų | 107.1 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 175.9 | -71.3 | -179 | 174.8 | 0 | 0 | 112.2 | A282 L284 L288 Y289 T290 | A282-E286 WeakPolarHBondContact O-CG 3.46Å; A282-E286 PolarHBondContact O-N 3.11Å; L284-E286 PolarHBondContact O-N 3.48Å; E286-L288 PolarHBondContact O-N 3.44Å; E286-Y289 PolarHBondContact O-N 3.42Å; E286-T290 WeakPolarHBondContact O-CG2 3.32Å; E286-T290 PolarHBondContact O-N 3.38Å; E286-T290 PolarHBondContact O-OG1 2.82Å |
| 287 | A | 97.4 | Very high | 96.7 | Very high | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K283 L284 T290 A291 | K283-A287 VanDerWaalsContact O-CB 3.3Å; K283-A287 WeakPolarHBondContact O-CB 3.22Å; K283-A287 PolarHBondContact O-N 3.07Å; L284-A287 PolarHBondContact O-N 3.42Å; A287-T290 PolarHBondContact O-OG1 3.11Å; A287-A291 WeakPolarHBondContact O-CB 3.36Å; A287-A291 PolarHBondContact O-N 2.86Å |
| 288 | L | 97.7 | Very high | 96.8 | Very high | 110 Ų | 110 | 99.1 Ų | 99.1 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.8 | -40.4 | 176.6 | -71.2 | 175.6 | 0 | 0 | 0 | 112.3 | L284 A285 E286 A291 D292 | L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.36Å; L284-L288 HydrophobicContact CG-CD1 4.24Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.25Å; A285-L288 PolarHBondContact O-N 3.44Å; E286-L288 PolarHBondContact O-N 3.44Å; L288-A291 PolarHBondContact O-N 3.36Å; L288-D292 PolarHBondContact O-N 2.78Å |
| 289 | Y | 96.7 | Very high | 96.9 | Very high | 167 Ų | 167 | 99 Ų | 99 | 66% | 0.655 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 177.8 | -171.1 | -99.7 | 0 | 0 | 0 | 112.1 | A285 E286 A291 D292 R293 | A285-Y289 WeakPolarHBondContact O-CB 3.36Å; A285-Y289 PolarHBondContact O-N 3.14Å; E286-Y289 PolarHBondContact O-N 3.42Å; Y289-A291 VanDerWaalsContact C-N 3.34Å; Y289-D292 PolarHBondContact O-N 3.38Å; Y289-R293 PolarHBondContact O-N 3.24Å; Y289-R293 VanDerWaalsContact O-N 3.1Å |
| 290 | T | 97.1 | Very high | 97 | Very high | 63 Ų | 63 | 97.4 Ų | 97.4 | 39% | 0.387 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 175.2 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | E286 A287 K294 | E286-T290 WeakPolarHBondContact O-CG2 3.32Å; E286-T290 PolarHBondContact O-N 3.38Å; E286-T290 PolarHBondContact O-OG1 2.82Å; A287-T290 PolarHBondContact O-OG1 3.11Å; T290-K294 WeakPolarHBondContact O-CG 3.33Å; T290-K294 PolarHBondContact O-N 3.34Å; T290-K294 VanDerWaalsContact O-N 3.17Å |
| 291 | A | 97.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A287 L288 Y289 K294 A295 | A287-A291 WeakPolarHBondContact O-CB 3.36Å; A287-A291 PolarHBondContact O-N 2.86Å; L288-A291 PolarHBondContact O-N 3.36Å; Y289-A291 VanDerWaalsContact C-N 3.34Å; A291-K294 PolarHBondContact O-N 3.11Å; A291-A295 WeakPolarHBondContact O-CB 3.3Å; A291-A295 PolarHBondContact O-N 2.77Å |
| 292 | D | 96.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 99.5 Ų | 99.5 | 40% | 0.401 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.2 | -174.5 | 62.4 | 0 | 0 | 0 | 111.6 | L288 Y289 K294 A295 R296 | L288-D292 PolarHBondContact O-N 2.78Å; Y289-D292 PolarHBondContact O-N 3.38Å; D292-K294 PolarHBondContact O-N 3.07Å; D292-A295 PolarHBondContact O-N 3.12Å; D292-R296 WeakPolarHBondContact O-CG 3.25Å; D292-R296 PolarHBondContact O-N 2.9Å; D292-R296 IonicContact OD1-NE 3.96Å; D292-R296 IonicContact OD2-CZ 3.95Å; D292-R296 IonicContact OD2-NE 2.91Å; D292-R296 PolarHBondContact OD2-NE 3.38Å; D292-R296 IonicContact OD2-NH2 3.88Å |
| 293 | R | 97 | Very high | 96.8 | Very high | 132 Ų | 132 | 98.4 Ų | 98.4 | 50% | 0.498 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 177.2 | -170.4 | 179.4 | 71.6 | -163.7 | -1.1 | 111.7 | Y289 A295 R296 E297 | Y289-R293 PolarHBondContact O-N 3.24Å; Y289-R293 VanDerWaalsContact O-N 3.1Å; R293-A295 VanDerWaalsContact C-N 3.33Å; R293-A295 PolarHBondContact O-N 3.32Å; R293-R296 PolarHBondContact O-N 3.12Å; R293-E297 IonicContact NE-OE1 2.6Å; R293-E297 WeakPolarHBondContact O-CG 3.38Å; R293-E297 PolarHBondContact O-N 3.49Å |
| 294 | K | 97.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 96.5 Ų | 96.5 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | 177.9 | -74.1 | -169.9 | 177.7 | -174.8 | 0 | 112.5 | T290 A291 D292 A298 | T290-K294 WeakPolarHBondContact O-CG 3.33Å; T290-K294 PolarHBondContact O-N 3.34Å; T290-K294 VanDerWaalsContact O-N 3.17Å; A291-K294 PolarHBondContact O-N 3.11Å; D292-K294 PolarHBondContact O-N 3.07Å; K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 3.23Å |
| 295 | A | 97.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 96.9 Ų | 96.9 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A291 D292 R293 A298 V299 | A291-A295 WeakPolarHBondContact O-CB 3.3Å; A291-A295 PolarHBondContact O-N 2.77Å; D292-A295 PolarHBondContact O-N 3.12Å; R293-A295 VanDerWaalsContact C-N 3.33Å; R293-A295 PolarHBondContact O-N 3.32Å; A295-A298 PolarHBondContact O-N 2.88Å; A295-V299 VanDerWaalsContact O-CG2 3.29Å; A295-V299 WeakPolarHBondContact O-CG2 3.37Å; A295-V299 PolarHBondContact O-N 3.08Å |
| 296 | R | 96.8 | Very high | 96.4 | Very high | 166 Ų | 166 | 100.7 Ų | 100.7 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -48.4 | 175.7 | -70.9 | 174.5 | -177.6 | -97.3 | -3.1 | 112.2 | D292 R293 A298 V299 E300 | D292-R296 WeakPolarHBondContact O-CG 3.25Å; D292-R296 PolarHBondContact O-N 2.9Å; D292-R296 IonicContact OD1-NE 3.96Å; D292-R296 IonicContact OD2-CZ 3.95Å; D292-R296 IonicContact OD2-NE 2.91Å; D292-R296 PolarHBondContact OD2-NE 3.38Å; D292-R296 IonicContact OD2-NH2 3.88Å; R293-R296 PolarHBondContact O-N 3.12Å; R296-A298 VanDerWaalsContact C-N 3.28Å; R296-A298 PolarHBondContact O-N 3.49Å; R296-V299 PolarHBondContact O-N 3.48Å; R296-V299 VanDerWaalsContact O-N 3.17Å; R296-E300 WeakPolarHBondContact O-CB 3.4Å; R296-E300 PolarHBondContact O-N 3.43Å |
| 297 | E | 96.3 | Very high | 96.3 | Very high | 97 Ų | 97 | 102.6 Ų | 102.6 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.5 | -44.9 | 175.2 | -72.3 | 169.1 | -171.8 | 0 | 0 | 111 | R293 E300 M301 | R293-E297 IonicContact NE-OE1 2.6Å; R293-E297 WeakPolarHBondContact O-CG 3.38Å; R293-E297 PolarHBondContact O-N 3.49Å; E297-E300 PolarHBondContact O-N 2.83Å; E297-M301 WeakPolarHBondContact O-CB 3.37Å; E297-M301 WeakPolarHBondContact O-CG 3.45Å; E297-M301 PolarHBondContact O-N 3.46Å |
| 298 | A | 96 | Very high | 96.2 | Very high | 34 Ų | 34 | 106.6 Ų | 106.6 | 28% | 0.281 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K294 A295 R296 R302 | K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 3.23Å; A295-A298 PolarHBondContact O-N 2.88Å; R296-A298 VanDerWaalsContact C-N 3.28Å; R296-A298 PolarHBondContact O-N 3.49Å; A298-R302 WeakPolarHBondContact O-CB 3.4Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-N 3.01Å; A298-R302 VanDerWaalsContact O-N 3.15Å; A298-R302 PolarHBondContact O-NE 3.41Å |
| 299 | V | 96.8 | Very high | 96 | Very high | 87 Ų | 87 | 105.5 Ų | 105.5 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | A295 R296 R302 A303 | A295-V299 VanDerWaalsContact O-CG2 3.29Å; A295-V299 WeakPolarHBondContact O-CG2 3.37Å; A295-V299 PolarHBondContact O-N 3.08Å; R296-V299 PolarHBondContact O-N 3.48Å; R296-V299 VanDerWaalsContact O-N 3.17Å; V299-R302 PolarHBondContact O-N 3.31Å; V299-A303 WeakPolarHBondContact O-CB 3.37Å; V299-A303 PolarHBondContact O-N 3.47Å |
| 300 | E | 95.9 | Very high | 95.9 | Very high | 116 Ų | 116 | 99.7 Ų | 99.7 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 177.9 | -172.1 | 177.2 | 178.3 | 0 | 0 | 111.6 | R296 E297 R302 A303 Q304 | R296-E300 WeakPolarHBondContact O-CB 3.4Å; R296-E300 PolarHBondContact O-N 3.43Å; E297-E300 PolarHBondContact O-N 2.83Å; E300-R302 VanDerWaalsContact C-N 3.32Å; E300-R302 PolarHBondContact O-N 3.01Å; E300-A303 PolarHBondContact O-N 2.95Å; E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.92Å; E300-Q304 PolarHBondContact OE1-NE2 3.33Å |
| 301 | M | 95.3 | Very high | 95.7 | Very high | 121 Ų | 121 | 103 Ų | 103 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.1 | -43 | 175 | -75.3 | -155.5 | -65.3 | 0 | 0 | 111.9 | E297 Q304 I305 | E297-M301 WeakPolarHBondContact O-CB 3.37Å; E297-M301 WeakPolarHBondContact O-CG 3.45Å; E297-M301 PolarHBondContact O-N 3.46Å; M301-Q304 PolarHBondContact O-N 2.97Å; M301-I305 VanDerWaalsContact O-CG1 3.27Å; M301-I305 WeakPolarHBondContact O-CG1 3.42Å; M301-I305 PolarHBondContact O-N 2.96Å |
| 302 | R | 94.8 | Very high | 95.5 | Very high | 148 Ų | 148 | 107.7 Ų | 107.7 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 175.5 | -82.2 | -179.4 | -74.2 | -151.1 | 2.5 | 111.9 | A298 V299 E300 Q304 I305 E306 | A298-R302 WeakPolarHBondContact O-CB 3.4Å; A298-R302 WeakPolarHBondContact O-CG 3.49Å; A298-R302 PolarHBondContact O-N 3.01Å; A298-R302 VanDerWaalsContact O-N 3.15Å; A298-R302 PolarHBondContact O-NE 3.41Å; V299-R302 PolarHBondContact O-N 3.31Å; E300-R302 VanDerWaalsContact C-N 3.32Å; E300-R302 PolarHBondContact O-N 3.01Å; R302-Q304 VanDerWaalsContact C-N 3.32Å; R302-Q304 PolarHBondContact O-N 3.19Å; R302-I305 PolarHBondContact O-N 2.99Å; R302-E306 WeakPolarHBondContact O-CG 3.45Å; R302-E306 PolarHBondContact O-N 3.28Å |
| 303 | A | 96.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 108.9 Ų | 108.9 | 28% | 0.281 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -38 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V299 E300 R307 | V299-A303 WeakPolarHBondContact O-CB 3.37Å; V299-A303 PolarHBondContact O-N 3.47Å; E300-A303 PolarHBondContact O-N 2.95Å; A303-R307 WeakPolarHBondContact O-CB 3.44Å; A303-R307 VanDerWaalsContact O-CG 3.28Å; A303-R307 WeakPolarHBondContact O-CG 3.35Å; A303-R307 PolarHBondContact O-N 2.99Å |
| 304 | Q | 95.8 | Very high | 95 | Very high | 88 Ų | 88 | 109.2 Ų | 109.2 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 175 | -71.4 | -177.6 | 12.9 | 0 | 0 | 112.2 | E300 M301 R302 R307 K308 | E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.92Å; E300-Q304 PolarHBondContact OE1-NE2 3.33Å; M301-Q304 PolarHBondContact O-N 2.97Å; R302-Q304 VanDerWaalsContact C-N 3.32Å; R302-Q304 PolarHBondContact O-N 3.19Å; Q304-R307 PolarHBondContact O-N 2.95Å; Q304-K308 WeakPolarHBondContact O-CG 3.29Å; Q304-K308 PolarHBondContact O-N 3.35Å |
| 305 | I | 95.1 | Very high | 94.6 | Very high | 106 Ų | 106 | 107.7 Ų | 107.7 | 54% | 0.544 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 176 | -69.2 | 166.1 | 0 | 0 | 0 | 110.4 | M301 R302 R307 K308 V309 | M301-I305 VanDerWaalsContact O-CG1 3.27Å; M301-I305 WeakPolarHBondContact O-CG1 3.42Å; M301-I305 PolarHBondContact O-N 2.96Å; R302-I305 PolarHBondContact O-N 2.99Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.01Å; I305-K308 PolarHBondContact O-N 3.49Å; I305-K308 VanDerWaalsContact O-N 3.11Å; I305-V309 HydrophobicContact CG2-CG2 4.34Å; I305-V309 WeakPolarHBondContact O-CG2 3.26Å; I305-V309 PolarHBondContact O-N 3.07Å |
| 306 | E | 93.5 | Very high | 94.3 | Very high | 138 Ų | 138 | 114.2 Ų | 114.2 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.7 | -42.6 | 177.4 | -74.8 | 179 | 179.3 | 0 | 0 | 111.7 | R302 K308 V309 A310 | R302-E306 WeakPolarHBondContact O-CG 3.45Å; R302-E306 PolarHBondContact O-N 3.28Å; E306-K308 PolarHBondContact O-N 2.96Å; E306-V309 PolarHBondContact O-N 3.42Å; E306-A310 VanDerWaalsContact O-CB 3.31Å; E306-A310 WeakPolarHBondContact O-CB 3.45Å; E306-A310 PolarHBondContact O-N 3.37Å |
| 307 | R | 94.3 | Very high | 94 | Very high | 175 Ų | 175 | 111.6 Ų | 111.6 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 173.3 | -76.5 | 177 | -171.2 | 165.6 | 4.1 | 112.5 | A303 Q304 I305 A310 Q311 | A303-R307 WeakPolarHBondContact O-CB 3.44Å; A303-R307 VanDerWaalsContact O-CG 3.28Å; A303-R307 WeakPolarHBondContact O-CG 3.35Å; A303-R307 PolarHBondContact O-N 2.99Å; Q304-R307 PolarHBondContact O-N 2.95Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.01Å; R307-A310 PolarHBondContact O-N 2.97Å; R307-Q311 WeakPolarHBondContact O-CB 3.45Å; R307-Q311 WeakPolarHBondContact O-CG 3.29Å; R307-Q311 PolarHBondContact O-N 3.49Å |
| 308 | K | 94.9 | Very high | 93.7 | Very high | 136 Ų | 136 | 113.1 Ų | 113.1 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 177.4 | -79 | -178.6 | 179 | 176.3 | 0 | 112.2 | Q304 I305 E306 Q311 K312 | Q304-K308 WeakPolarHBondContact O-CG 3.29Å; Q304-K308 PolarHBondContact O-N 3.35Å; I305-K308 PolarHBondContact O-N 3.49Å; I305-K308 VanDerWaalsContact O-N 3.11Å; E306-K308 PolarHBondContact O-N 2.96Å; K308-Q311 PolarHBondContact O-N 3.18Å; K308-K312 PolarHBondContact O-N 2.99Å |
| 309 | V | 94.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 115.9 Ų | 115.9 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | I305 E306 Q311 K312 E313 | I305-V309 HydrophobicContact CG2-CG2 4.34Å; I305-V309 WeakPolarHBondContact O-CG2 3.26Å; I305-V309 PolarHBondContact O-N 3.07Å; E306-V309 PolarHBondContact O-N 3.42Å; V309-Q311 VanDerWaalsContact C-N 3.35Å; V309-Q311 PolarHBondContact O-N 2.9Å; V309-K312 PolarHBondContact O-N 2.9Å; V309-E313 WeakPolarHBondContact O-CB 3.46Å; V309-E313 PolarHBondContact O-N 3.37Å |
| 310 | A | 94 | Very high | 92.9 | Very high | 45 Ų | 45 | 117.3 Ų | 117.3 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E306 R307 E313 K314 | E306-A310 VanDerWaalsContact O-CB 3.31Å; E306-A310 WeakPolarHBondContact O-CB 3.45Å; E306-A310 PolarHBondContact O-N 3.37Å; R307-A310 PolarHBondContact O-N 2.97Å; A310-E313 PolarHBondContact O-N 3.33Å; A310-K314 WeakPolarHBondContact O-CG 3Å; A310-K314 PolarHBondContact O-N 3.13Å |
| 311 | Q | 92.5 | Very high | 92.5 | Very high | 133 Ų | 133 | 117.3 Ų | 117.3 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 173.7 | -80 | 176.3 | -15.4 | 0 | 0 | 112 | R307 K308 V309 E313 K314 E315 | R307-Q311 WeakPolarHBondContact O-CB 3.45Å; R307-Q311 WeakPolarHBondContact O-CG 3.29Å; R307-Q311 PolarHBondContact O-N 3.49Å; K308-Q311 PolarHBondContact O-N 3.18Å; V309-Q311 VanDerWaalsContact C-N 3.35Å; V309-Q311 PolarHBondContact O-N 2.9Å; Q311-E313 VanDerWaalsContact C-N 3.29Å; Q311-E313 PolarHBondContact O-N 3.49Å; Q311-K314 WeakPolarHBondContact O-CB 3.27Å; Q311-K314 PolarHBondContact O-N 3.37Å; Q311-K314 VanDerWaalsContact O-N 3.17Å; Q311-E315 WeakPolarHBondContact O-CB 3.42Å; Q311-E315 PolarHBondContact O-N 3.28Å |
| 312 | K | 93.7 | Very high | 92 | Very high | 153 Ų | 153 | 117.2 Ų | 117.2 | 67% | 0.665 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62 | -36.3 | 175.5 | -77.4 | -172.2 | 174.9 | -172.8 | 0 | 112.5 | K308 V309 R316 | K308-K312 PolarHBondContact O-N 2.99Å; V309-K312 PolarHBondContact O-N 2.9Å; K312-R316 WeakPolarHBondContact O-CB 3.45Å; K312-R316 PolarHBondContact O-N 3.47Å |
| 313 | E | 91.3 | Very high | 91.5 | Very high | 100 Ų | 100 | 118.3 Ų | 118.3 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 175.5 | -160.7 | -166.9 | 147.6 | 0 | 0 | 111.6 | V309 A310 Q311 K317 | V309-E313 WeakPolarHBondContact O-CB 3.46Å; V309-E313 PolarHBondContact O-N 3.37Å; A310-E313 PolarHBondContact O-N 3.33Å; Q311-E313 VanDerWaalsContact C-N 3.29Å; Q311-E313 PolarHBondContact O-N 3.49Å; E313-K317 VanDerWaalsContact O-CG 3.31Å; E313-K317 WeakPolarHBondContact O-CG 3.31Å; E313-K317 PolarHBondContact O-N 3.23Å; E313-K317 VanDerWaalsContact OE1-CE 3.29Å; E313-K317 WeakPolarHBondContact OE1-CE 3.46Å; E313-K317 IonicContact OE1-NZ 3.1Å; E313-K317 PolarHBondContact OE1-NZ 3.5Å |
| 314 | K | 92.7 | Very high | 91 | Very high | 140 Ų | 140 | 121.2 Ų | 121.2 | 61% | 0.609 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -47.7 | 172.1 | -77 | -176 | 177.6 | -170 | 0 | 111.9 | A310 Q311 R316 K317 E318 | A310-K314 WeakPolarHBondContact O-CG 3Å; A310-K314 PolarHBondContact O-N 3.13Å; Q311-K314 WeakPolarHBondContact O-CB 3.27Å; Q311-K314 PolarHBondContact O-N 3.37Å; Q311-K314 VanDerWaalsContact O-N 3.17Å; K314-R316 PolarHBondContact O-N 3.22Å; K314-K317 CarbonylContact O-C 3.57Å; K314-K317 WeakPolarHBondContact O-CB 3.39Å; K314-K317 PolarHBondContact O-N 3.46Å; K314-K317 VanDerWaalsContact O-N 3.11Å; K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.1Å |
| 315 | E | 89.7 | Confident | 90.4 | Very high | 109 Ų | 109 | 119.1 Ų | 119.1 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.4 | -45.2 | 177.2 | -174.8 | 178.8 | -163.3 | 0 | 0 | 111.2 | Q311 K317 E318 E319 | Q311-E315 WeakPolarHBondContact O-CB 3.42Å; Q311-E315 PolarHBondContact O-N 3.28Å; E315-K317 VanDerWaalsContact C-N 3.3Å; E315-K317 PolarHBondContact O-N 2.88Å; E315-E318 CarbonylContact O-C 3.59Å; E315-E318 WeakPolarHBondContact O-CB 3.32Å; E315-E318 PolarHBondContact O-N 3.31Å; E315-E318 VanDerWaalsContact O-N 3.12Å; E315-E319 PolarHBondContact O-N 3.33Å |
| 316 | R | 90.5 | Very high | 89.8 | Confident | 185 Ų | 185 | 118.9 Ų | 118.9 | 70% | 0.698 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.1 | -38.1 | 174.9 | -171.5 | -179.1 | 179.4 | -178.8 | 1 | 112.3 | K312 K314 Q320 | K312-R316 WeakPolarHBondContact O-CB 3.45Å; K312-R316 PolarHBondContact O-N 3.47Å; K314-R316 PolarHBondContact O-N 3.22Å; R316-Q320 VanDerWaalsContact O-CB 3.26Å; R316-Q320 WeakPolarHBondContact O-CB 3.43Å; R316-Q320 PolarHBondContact O-N 3.46Å |
| 317 | K | 90.5 | Very high | 89.1 | Confident | 111 Ų | 111 | 118.5 Ų | 118.5 | 48% | 0.483 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.2 | -75.5 | 172.8 | -174.1 | 166.5 | 0 | 111 | E313 K314 E315 Q320 L321 | E313-K317 VanDerWaalsContact O-CG 3.31Å; E313-K317 WeakPolarHBondContact O-CG 3.31Å; E313-K317 PolarHBondContact O-N 3.23Å; E313-K317 VanDerWaalsContact OE1-CE 3.29Å; E313-K317 WeakPolarHBondContact OE1-CE 3.46Å; E313-K317 IonicContact OE1-NZ 3.1Å; E313-K317 PolarHBondContact OE1-NZ 3.5Å; K314-K317 CarbonylContact O-C 3.57Å; K314-K317 WeakPolarHBondContact O-CB 3.39Å; K314-K317 PolarHBondContact O-N 3.46Å; K314-K317 VanDerWaalsContact O-N 3.11Å; E315-K317 VanDerWaalsContact C-N 3.3Å; E315-K317 PolarHBondContact O-N 2.88Å; K317-Q320 PolarHBondContact O-N 2.98Å; K317-L321 WeakPolarHBondContact O-CB 3.31Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 3.4Å |
| 318 | E | 89.4 | Confident | 88.3 | Confident | 129 Ų | 129 | 112.9 Ų | 112.9 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 175.9 | -75 | 174.9 | -165.2 | 0 | 0 | 112.1 | K314 E315 Q320 L321 Q322 | K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.1Å; E315-E318 CarbonylContact O-C 3.59Å; E315-E318 WeakPolarHBondContact O-CB 3.32Å; E315-E318 PolarHBondContact O-N 3.31Å; E315-E318 VanDerWaalsContact O-N 3.12Å; E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 3.17Å; E318-L321 CarbonylContact O-C 3.49Å; E318-L321 WeakPolarHBondContact O-CB 3.42Å; E318-L321 PolarHBondContact O-N 3.31Å; E318-Q322 VanDerWaalsContact O-CB 3.32Å; E318-Q322 WeakPolarHBondContact O-CB 3.28Å; E318-Q322 PolarHBondContact O-N 2.92Å |
| 319 | E | 88.3 | Confident | 87.2 | Confident | 93 Ų | 93 | 115.4 Ų | 115.4 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.7 | -74.6 | -172.6 | 164.9 | 0 | 0 | 111.9 | E315 L321 Q322 R323 | E315-E319 PolarHBondContact O-N 3.33Å; E319-L321 VanDerWaalsContact C-N 3.34Å; E319-Q322 PolarHBondContact O-N 2.99Å; E319-R323 PolarHBondContact O-N 3.17Å |
| 320 | Q | 88.7 | Confident | 85.9 | Confident | 117 Ų | 117 | 117.5 Ų | 117.5 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.3 | -174 | 174.2 | -2.2 | 0 | 0 | 110.7 | R316 K317 E318 Q322 R323 I324 | R316-Q320 VanDerWaalsContact O-CB 3.26Å; R316-Q320 WeakPolarHBondContact O-CB 3.43Å; R316-Q320 PolarHBondContact O-N 3.46Å; K317-Q320 PolarHBondContact O-N 2.98Å; E318-Q320 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 3.17Å; Q320-Q322 VanDerWaalsContact C-N 3.33Å; Q320-R323 PolarHBondContact O-N 3.34Å; Q320-I324 HydrophobicContact CG-CD1 4.23Å; Q320-I324 WeakPolarHBondContact O-CD1 3.26Å; Q320-I324 VanDerWaalsContact O-CG1 3.22Å; Q320-I324 WeakPolarHBondContact O-CG1 3.35Å; Q320-I324 PolarHBondContact O-N 3.15Å |
| 321 | L | 86.4 | Confident | 84.4 | Confident | 115 Ų | 115 | 118.8 Ų | 118.8 | 60% | 0.602 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.7 | -37.8 | 173 | -72.3 | 167.9 | 0 | 0 | 0 | 111.7 | K317 E318 E319 I324 A325 | K317-L321 WeakPolarHBondContact O-CB 3.31Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 3.4Å; E318-L321 CarbonylContact O-C 3.49Å; E318-L321 WeakPolarHBondContact O-CB 3.42Å; E318-L321 PolarHBondContact O-N 3.31Å; E319-L321 VanDerWaalsContact C-N 3.34Å; L321-I324 PolarHBondContact O-N 3.33Å; L321-A325 VanDerWaalsContact O-CB 3.32Å; L321-A325 WeakPolarHBondContact O-CB 3.46Å; L321-A325 PolarHBondContact O-N 3.45Å |
| 322 | Q | 85.9 | Confident | 82.7 | Confident | 120 Ų | 120 | 122.8 Ų | 122.8 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.2 | -41.1 | 178.3 | -165.5 | 179.5 | 29 | 0 | 0 | 111.9 | E318 E319 Q320 A325 Q326 | E318-Q322 VanDerWaalsContact O-CB 3.32Å; E318-Q322 WeakPolarHBondContact O-CB 3.28Å; E318-Q322 PolarHBondContact O-N 2.92Å; E319-Q322 PolarHBondContact O-N 2.99Å; Q320-Q322 VanDerWaalsContact C-N 3.33Å; Q322-A325 CarbonylContact O-C 3.42Å; Q322-A325 PolarHBondContact O-N 3.19Å; Q322-Q326 WeakPolarHBondContact O-CB 3.41Å; Q322-Q326 PolarHBondContact O-N 3.42Å |
| 323 | R | 84.6 | Confident | 80.9 | Confident | 171 Ų | 171 | 119.2 Ų | 119.2 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -43.9 | 172.4 | -78.9 | -173.7 | -174.4 | 155.8 | 6.7 | 111.7 | E319 Q320 A325 Q326 Q327 | E319-R323 PolarHBondContact O-N 3.17Å; Q320-R323 PolarHBondContact O-N 3.34Å; R323-A325 VanDerWaalsContact C-N 3.27Å; R323-A325 PolarHBondContact O-N 3Å; R323-Q326 PolarHBondContact O-N 3.36Å; R323-Q327 WeakPolarHBondContact O-CB 3.37Å; R323-Q327 WeakPolarHBondContact O-CG 3.5Å; R323-Q327 PolarHBondContact O-N 3.06Å |
| 324 | I | 85.1 | Confident | 79.1 | Confident | 95 Ų | 95 | 117.1 Ų | 117.1 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.6 | -41.1 | 174.7 | -67.9 | 164.9 | 0 | 0 | 0 | 109.9 | Q320 L321 A328 | Q320-I324 HydrophobicContact CG-CD1 4.23Å; Q320-I324 WeakPolarHBondContact O-CD1 3.26Å; Q320-I324 VanDerWaalsContact O-CG1 3.22Å; Q320-I324 WeakPolarHBondContact O-CG1 3.35Å; Q320-I324 PolarHBondContact O-N 3.15Å; L321-I324 PolarHBondContact O-N 3.33Å; I324-A328 VanDerWaalsContact O-CB 3.25Å; I324-A328 WeakPolarHBondContact O-CB 3.44Å; I324-A328 PolarHBondContact O-N 2.95Å |
| 325 | A | 83.3 | Confident | 76.8 | Confident | 44 Ų | 44 | 115.3 Ų | 115.3 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L321 Q322 R323 A328 R329 | L321-A325 VanDerWaalsContact O-CB 3.32Å; L321-A325 WeakPolarHBondContact O-CB 3.46Å; L321-A325 PolarHBondContact O-N 3.45Å; Q322-A325 CarbonylContact O-C 3.42Å; Q322-A325 PolarHBondContact O-N 3.19Å; R323-A325 VanDerWaalsContact C-N 3.27Å; R323-A325 PolarHBondContact O-N 3Å; A325-A328 PolarHBondContact O-N 2.88Å; A325-R329 WeakPolarHBondContact O-CB 3.21Å; A325-R329 VanDerWaalsContact O-CG 3.31Å; A325-R329 WeakPolarHBondContact O-CG 3.49Å; A325-R329 PolarHBondContact O-N 3.38Å |
| 326 | Q | 83 | Confident | 74.4 | Confident | 100 Ų | 100 | 121.3 Ų | 121.3 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.2 | -46.3 | 174.1 | -83.2 | 178.3 | -8.8 | 0 | 0 | 111 | Q322 R323 A328 R329 E330 | Q322-Q326 WeakPolarHBondContact O-CB 3.41Å; Q322-Q326 PolarHBondContact O-N 3.42Å; R323-Q326 PolarHBondContact O-N 3.36Å; Q326-A328 VanDerWaalsContact C-N 3.27Å; Q326-A328 PolarHBondContact O-N 3.2Å; Q326-R329 CarbonylContact O-C 3.57Å; Q326-R329 WeakPolarHBondContact O-CA 3.3Å; Q326-R329 WeakPolarHBondContact O-CB 3.22Å; Q326-R329 PolarHBondContact O-N 2.9Å; Q326-E330 WeakPolarHBondContact O-CB 3.42Å; Q326-E330 WeakPolarHBondContact O-CG 3.42Å; Q326-E330 PolarHBondContact O-N 2.85Å |
| 327 | Q | 79 | Confident | 72.1 | Confident | 130 Ų | 130 | 124 Ų | 124 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.8 | -38.8 | 172.9 | -75.4 | -178.8 | -17.7 | 0 | 0 | 111.5 | R323 R329 S331 | R323-Q327 WeakPolarHBondContact O-CB 3.37Å; R323-Q327 WeakPolarHBondContact O-CG 3.5Å; R323-Q327 PolarHBondContact O-N 3.06Å; Q327-R329 VanDerWaalsContact C-N 3.32Å; Q327-R329 PolarHBondContact O-N 3.1Å; Q327-S331 VanDerWaalsContact O-CB 3.23Å; Q327-S331 WeakPolarHBondContact O-CB 3.41Å; Q327-S331 PolarHBondContact O-N 3.06Å; Q327-S331 PolarHBondContact O-OG 2.76Å |
| 328 | A | 77.1 | Confident | 70 | Confident | 57 Ų | 57 | 124.3 Ų | 124.3 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.6 | -31.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I324 A325 Q326 S331 R332 | I324-A328 VanDerWaalsContact O-CB 3.25Å; I324-A328 WeakPolarHBondContact O-CB 3.44Å; I324-A328 PolarHBondContact O-N 2.95Å; A325-A328 PolarHBondContact O-N 2.88Å; Q326-A328 VanDerWaalsContact C-N 3.27Å; Q326-A328 PolarHBondContact O-N 3.2Å; A328-S331 WeakPolarHBondContact CA-OG 3.44Å; A328-S331 PolarHBondContact O-OG 2.98Å; A328-S331 VanDerWaalsContact O-OG 3.14Å; A328-R332 WeakPolarHBondContact O-CB 3.22Å; A328-R332 PolarHBondContact O-N 3.38Å |
| 329 | R | 70.8 | Confident | 67.9 | Low | 189 Ų | 189 | 122 Ų | 122 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.1 | -42.5 | 174.4 | -77 | 178.3 | -175.1 | -172.5 | 3 | 112.6 | A325 Q326 Q327 R332 A333 | A325-R329 WeakPolarHBondContact O-CB 3.21Å; A325-R329 VanDerWaalsContact O-CG 3.31Å; A325-R329 WeakPolarHBondContact O-CG 3.49Å; A325-R329 PolarHBondContact O-N 3.38Å; Q326-R329 CarbonylContact O-C 3.57Å; Q326-R329 WeakPolarHBondContact O-CA 3.3Å; Q326-R329 WeakPolarHBondContact O-CB 3.22Å; Q326-R329 PolarHBondContact O-N 2.9Å; Q327-R329 VanDerWaalsContact C-N 3.32Å; Q327-R329 PolarHBondContact O-N 3.1Å; R329-R332 CarbonylContact O-C 3.59Å; R329-R332 WeakPolarHBondContact O-CA 3.22Å; R329-R332 WeakPolarHBondContact O-CB 3.46Å; R329-R332 PolarHBondContact O-N 3.25Å; R329-A333 VanDerWaalsContact O-CB 3.27Å; R329-A333 WeakPolarHBondContact O-CB 3.49Å; R329-A333 PolarHBondContact O-N 2.84Å |
| 330 | E | 67.8 | Low | 65.6 | Low | 131 Ų | 131 | 122 Ų | 122 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.5 | -40.8 | 175.8 | -75.2 | 176.2 | 177.5 | 0 | 0 | 110.6 | Q326 R332 A333 G334 | Q326-E330 WeakPolarHBondContact O-CB 3.42Å; Q326-E330 WeakPolarHBondContact O-CG 3.42Å; Q326-E330 PolarHBondContact O-N 2.85Å; E330-R332 PolarHBondContact O-N 2.7Å; E330-A333 PolarHBondContact O-N 3.46Å; E330-G334 VanDerWaalsContact O-CA 3.31Å; E330-G334 WeakPolarHBondContact O-CA 3.38Å; E330-G334 PolarHBondContact O-N 2.95Å |
| 331 | S | 61.3 | Low | 63.1 | Low | 72 Ų | 72 | 122.2 Ų | 122.2 | 50% | 0.503 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.9 | -17.4 | 171.1 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | Q327 A328 | Q327-S331 VanDerWaalsContact O-CB 3.23Å; Q327-S331 WeakPolarHBondContact O-CB 3.41Å; Q327-S331 PolarHBondContact O-N 3.06Å; Q327-S331 PolarHBondContact O-OG 2.76Å; A328-S331 WeakPolarHBondContact CA-OG 3.44Å; A328-S331 PolarHBondContact O-OG 2.98Å; A328-S331 VanDerWaalsContact O-OG 3.14Å |
| 332 | R | 57.4 | Low | 60.8 | Low | 218 Ų | 218 | 125.4 Ų | 125.4 | 82% | 0.823 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -91.2 | -29.8 | 171.7 | -162.9 | 176.1 | -165.3 | -175.9 | 5.3 | 113.1 | A328 R329 E330 | A328-R332 WeakPolarHBondContact O-CB 3.22Å; A328-R332 PolarHBondContact O-N 3.38Å; R329-R332 CarbonylContact O-C 3.59Å; R329-R332 WeakPolarHBondContact O-CA 3.22Å; R329-R332 WeakPolarHBondContact O-CB 3.46Å; R329-R332 PolarHBondContact O-N 3.25Å; E330-R332 PolarHBondContact O-N 2.7Å |
| 333 | A | 56.4 | Low | 58.4 | Low | 78 Ų | 78 | 123.8 Ų | 123.8 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -94.3 | -17.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | R329 E330 L335 | R329-A333 VanDerWaalsContact O-CB 3.27Å; R329-A333 WeakPolarHBondContact O-CB 3.49Å; R329-A333 PolarHBondContact O-N 2.84Å; E330-A333 PolarHBondContact O-N 3.46Å; A333-L335 PolarHBondContact O-N 2.92Å |
| 334 | G | 54.2 | Low | 56 | Low | 56 Ų | 56 | 119.2 Ų | 119.2 | 58% | 0.577 | 68% | 0.677 | S | S | * | * | trans | -77.8 | 5.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E330 | E330-G334 VanDerWaalsContact O-CA 3.31Å; E330-G334 WeakPolarHBondContact O-CA 3.38Å; E330-G334 PolarHBondContact O-N 2.95Å | ||
| 335 | L | 44 | Very low | 53.7 | Low | 102 Ų | 102 | 121.9 Ų | 121.9 | 53% | 0.534 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -99 | 61.2 | 164.4 | -122.4 | 79.4 | 0 | 0 | 0 | 110 | A333 | A333-L335 PolarHBondContact O-N 2.92Š|
| 336 | R | 39 | Very low | 51.7 | Low | 234 Ų | 234 | 127.3 Ų | 127.3 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | trans | -160.3 | 95.9 | 159.3 | -112.9 | -178 | 163.6 | -175.5 | -5.5 | 107.5 | ||||
| 337 | R | 41.5 | Very low | 50 | Low | 241 Ų | 241 | 128.9 Ų | 128.9 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -123.9 | 162.1 | 170.2 | -118 | -153.8 | 166.3 | -161.5 | -2.6 | 108.9 | ||||
| 338 | P | 45.9 | Very low | 48.7 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | -135.5 | -175.8 | -112.4 | 35.7 | -13.3 | 0 | 0 | 0 | 113.9 | |||||
| 339 | G | 45.7 | Very low | 47.6 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | 176.9 | 140.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 340 | A | 39.7 | Very low | 47.1 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | cis | -137.5 | 159.4 | 19.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 341 | T | 36.8 | Very low | 46.6 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -164.7 | 151.2 | 48.1 | 5.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 342 | E | 37.5 | Very low | 46.6 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | cis | -174.7 | 140.9 | 26 | -138.7 | 165.3 | -144.2 | 0 | 0 | 106.9 | ||||
| 343 | G | 35.9 | Very low | 47 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | trans | 86.1 | 110.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 344 | G | 34 | Very low | 47.5 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | trans | 146.5 | 72.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 345 | D | 37.3 | Very low | 48.2 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | trans | 33.4 | 101 | 150.2 | -65.5 | -22.7 | 0 | 0 | 0 | 119.9 | ||||
| 346 | N | 42 | Very low | 49.3 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | S | Bend | -176.8 | 114.6 | 124.3 | -85.7 | -48.1 | 0 | 0 | 0 | 108 | P348 | N346-P348 VanDerWaalsContact O-CD 3.32Å; N346-P348 WeakPolarHBondContact O-CD 3.48Å; N346-P348 VanDerWaalsContact O-N 3.1Å | |
| 347 | D | 47.3 | Very low | 51.1 | Low | 134 Ų | 134 | 130.3 Ų | 130.3 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | trans | -27.4 | 93.3 | -165.7 | -121.7 | -27.1 | 0 | 0 | 0 | 117.1 | ||||
| 348 | P | 52 | Low | 52.8 | Low | 82 Ų | 82 | 126.8 Ų | 126.8 | 53% | 0.532 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -79.5 | -15.1 | -170.7 | 28.5 | -32.7 | 0 | 0 | 0 | 115.1 | N346 L350 M351 D352 | N346-P348 VanDerWaalsContact O-CD 3.32Å; N346-P348 WeakPolarHBondContact O-CD 3.48Å; N346-P348 VanDerWaalsContact O-N 3.1Å; P348-L350 PolarHBondContact O-N 3.44Å; P348-M351 PolarHBondContact O-N 2.92Å; P348-D352 PolarHBondContact O-N 2.89Å |
| 349 | E | 53.7 | Low | 54 | Low | 161 Ų | 161 | 122.8 Ų | 122.8 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.6 | -25.2 | -172.9 | -70.6 | -167.3 | 160.6 | 0 | 0 | 114.9 | ||
| 350 | L | 58.9 | Low | 55.6 | Low | 137 Ų | 137 | 126.5 Ų | 126.5 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.4 | -33 | 176.2 | -77.5 | 170.1 | 0 | 0 | 0 | 112.4 | P348 E354 | P348-L350 PolarHBondContact O-N 3.44Å; L350-E354 PolarHBondContact O-N 2.88Å |
| 351 | M | 59 | Low | 57.6 | Low | 147 Ų | 147 | 124.5 Ų | 124.5 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.8 | -42 | 176.8 | -73.4 | -139.6 | -179 | 0 | 0 | 111.7 | P348 R353 E354 E355 | P348-M351 PolarHBondContact O-N 2.92Å; M351-R353 VanDerWaalsContact C-N 3.25Å; M351-R353 PolarHBondContact O-N 3.39Å; M351-E354 PolarHBondContact O-N 3.42Å; M351-E355 VanDerWaalsContact O-CB 3.31Å; M351-E355 WeakPolarHBondContact O-CB 3.48Å; M351-E355 PolarHBondContact O-N 3.48Å |
| 352 | D | 61.1 | Low | 59.5 | Low | 103 Ų | 103 | 124.9 Ų | 124.9 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.6 | -34.6 | 177.9 | -83 | -8.5 | 0 | 0 | 0 | 112.4 | P348 L356 | P348-D352 PolarHBondContact O-N 2.89Å; D352-L356 WeakPolarHBondContact O-CB 3.25Å; D352-L356 PolarHBondContact O-N 3.3Å; D352-L356 VanDerWaalsContact O-N 3.08Å |
| 353 | R | 65.2 | Low | 61 | Low | 186 Ų | 186 | 119.7 Ų | 119.7 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.2 | -34 | -179.4 | -159.9 | 171 | -171.4 | 160.5 | 1.7 | 113.3 | M351 R357 | M351-R353 VanDerWaalsContact C-N 3.25Å; M351-R353 PolarHBondContact O-N 3.39Å; R353-R357 PolarHBondContact O-N 3.43Å |
| 354 | E | 67.3 | Low | 63.1 | Low | 111 Ų | 111 | 123.7 Ų | 123.7 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -80 | -33.4 | 176.6 | -162.3 | 60.6 | -149.4 | 0 | 0 | 111.3 | L350 M351 R357 R358 | L350-E354 PolarHBondContact O-N 2.88Å; M351-E354 PolarHBondContact O-N 3.42Å; E354-R357 PolarHBondContact O-N 3.37Å; E354-R357 IonicContact OE2-NH1 2.87Å; E354-R357 PolarHBondContact OE2-NH1 3.11Å; E354-R358 PolarHBondContact O-N 3Å |
| 355 | E | 68.1 | Low | 65.1 | Low | 117 Ų | 117 | 122.6 Ų | 122.6 | 55% | 0.547 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -40.9 | 173 | -162.2 | 159.3 | -142.2 | 0 | 0 | 111.4 | M351 R357 R358 D359 | M351-E355 VanDerWaalsContact O-CB 3.31Å; M351-E355 WeakPolarHBondContact O-CB 3.48Å; M351-E355 PolarHBondContact O-N 3.48Å; E355-R357 VanDerWaalsContact C-N 3.3Å; E355-R357 PolarHBondContact O-N 3.43Å; E355-R358 PolarHBondContact O-N 3.39Å; E355-R358 VanDerWaalsContact O-N 3.12Å; E355-D359 WeakPolarHBondContact O-CB 3.32Å; E355-D359 PolarHBondContact O-N 2.89Å |
| 356 | L | 67.8 | Low | 66.6 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -31.5 | 174.7 | -158.1 | 84.8 | 0 | 0 | 0 | 113.6 | D352 R360 | D352-L356 WeakPolarHBondContact O-CB 3.25Å; D352-L356 PolarHBondContact O-N 3.3Å; D352-L356 VanDerWaalsContact O-N 3.08Å; L356-R360 PolarHBondContact O-N 2.88Å |
| 357 | R | 76.7 | Confident | 67.8 | Low | 156 Ų | 156 | 120.2 Ų | 120.2 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.7 | -43.5 | 172.4 | -90.7 | -172.7 | -167.6 | 143.5 | -1.6 | 111.3 | R353 E354 E355 D359 R360 A361 | R353-R357 PolarHBondContact O-N 3.43Å; E354-R357 PolarHBondContact O-N 3.37Å; E354-R357 IonicContact OE2-NH1 2.87Å; E354-R357 PolarHBondContact OE2-NH1 3.11Å; E355-R357 VanDerWaalsContact C-N 3.3Å; E355-R357 PolarHBondContact O-N 3.43Å; R357-D359 VanDerWaalsContact C-N 3.34Å; R357-R360 PolarHBondContact O-N 2.98Å; R357-A361 PolarHBondContact O-N 3.49Å; R357-A361 VanDerWaalsContact O-N 3.1Å |
| 358 | R | 77.3 | Confident | 69.1 | Low | 167 Ų | 167 | 122.1 Ų | 122.1 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.1 | -36.7 | -178.3 | -161.3 | 174.8 | -175.3 | 155.2 | 1.5 | 111.7 | E354 E355 A361 R362 | E354-R358 PolarHBondContact O-N 3Å; E355-R358 PolarHBondContact O-N 3.39Å; E355-R358 VanDerWaalsContact O-N 3.12Å; R358-A361 PolarHBondContact O-N 3.5Å; R358-R362 PolarHBondContact O-N 3.01Å |
| 359 | D | 71.2 | Confident | 69.8 | Low | 34 Ų | 34 | 123.4 Ų | 123.4 | 18% | 0.182 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -67.6 | -45.4 | 174.7 | -84.3 | -7.7 | 0 | 0 | 0 | 112.2 | E355 R357 A361 R362 D363 | E355-D359 WeakPolarHBondContact O-CB 3.32Å; E355-D359 PolarHBondContact O-N 2.89Å; R357-D359 VanDerWaalsContact C-N 3.34Å; D359-A361 PolarHBondContact O-N 3.11Å; D359-R362 PolarHBondContact O-N 2.98Å; D359-R362 VanDerWaalsContact O-N 3.09Å; D359-D363 PolarHBondContact O-N 3.17Å |
| 360 | R | 78.2 | Confident | 70.1 | Confident | 158 Ų | 158 | 121 Ų | 121 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -25.2 | 173.6 | -95.8 | -173.6 | -88.2 | 173.3 | -14 | 114 | L356 R357 R364 | L356-R360 PolarHBondContact O-N 2.88Å; R357-R360 PolarHBondContact O-N 2.98Å; R360-R364 PolarHBondContact O-N 3.04Å; R360-R364 PolarHBondContact O-NE 3.36Å |
| 361 | A | 81.6 | Confident | 70.3 | Confident | 51 Ų | 51 | 118.9 Ų | 118.9 | 42% | 0.421 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -78.3 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R357 R358 D359 A365 | R357-A361 PolarHBondContact O-N 3.49Å; R357-A361 VanDerWaalsContact O-N 3.1Å; R358-A361 PolarHBondContact O-N 3.5Å; D359-A361 PolarHBondContact O-N 3.11Å; A361-A365 PolarHBondContact O-N 3.21Å; A361-A365 VanDerWaalsContact O-N 3.13Å |
| 362 | R | 76.7 | Confident | 70.6 | Confident | 131 Ų | 131 | 121.1 Ų | 121.1 | 49% | 0.494 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -39.9 | 174.1 | -86.3 | 179.4 | -175.7 | 155 | -0.9 | 112.5 | R358 D359 A365 R366 | R358-R362 PolarHBondContact O-N 3.01Å; D359-R362 PolarHBondContact O-N 2.98Å; D359-R362 VanDerWaalsContact O-N 3.09Å; R362-A365 WeakPolarHBondContact O-CB 3.32Å; R362-A365 PolarHBondContact O-N 3.35Å; R362-R366 WeakPolarHBondContact O-CB 3.22Å; R362-R366 PolarHBondContact O-N 2.82Å |
| 363 | D | 70.3 | Confident | 70.5 | Confident | 73 Ų | 73 | 118.8 Ų | 118.8 | 39% | 0.39 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 179.5 | -78.3 | -13.4 | 0 | 0 | 0 | 111.8 | D359 A365 R366 E367 | D359-D363 PolarHBondContact O-N 3.17Å; D363-A365 VanDerWaalsContact C-N 3.28Å; D363-A365 PolarHBondContact O-N 3.2Å; D363-R366 PolarHBondContact O-N 3.02Å; D363-R366 VanDerWaalsContact O-N 3.16Å; D363-R366 IonicContact OD1-NH2 3.11Å; D363-E367 VanDerWaalsContact O-CB 3.32Å; D363-E367 WeakPolarHBondContact O-CB 3.5Å; D363-E367 PolarHBondContact O-N 2.88Å |
| 364 | R | 78.2 | Confident | 70.3 | Confident | 169 Ų | 169 | 116.2 Ų | 116.2 | 64% | 0.638 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.8 | -35.2 | 171.6 | -87.5 | -178.5 | -71.2 | 153.4 | -4.3 | 112.9 | R360 R368 | R360-R364 PolarHBondContact O-N 3.04Å; R360-R364 PolarHBondContact O-NE 3.36Å; R364-R368 VanDerWaalsContact O-CB 3.3Å; R364-R368 WeakPolarHBondContact O-CB 3.41Å; R364-R368 PolarHBondContact O-N 3.13Å |
| 365 | A | 77.5 | Confident | 70 | Confident | 52 Ų | 52 | 116 Ų | 116 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A361 R362 D363 R368 N369 | A361-A365 PolarHBondContact O-N 3.21Å; A361-A365 VanDerWaalsContact O-N 3.13Å; R362-A365 WeakPolarHBondContact O-CB 3.32Å; R362-A365 PolarHBondContact O-N 3.35Å; D363-A365 VanDerWaalsContact C-N 3.28Å; D363-A365 PolarHBondContact O-N 3.2Å; A365-R368 PolarHBondContact O-N 2.76Å; A365-N369 WeakPolarHBondContact O-CB 3.41Å; A365-N369 PolarHBondContact O-N 3.16Å |
| 366 | R | 68.8 | Low | 69.5 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -42.3 | 178 | -141.4 | -174.7 | -60.7 | -171.3 | 6.2 | 111 | R362 D363 N369 L370 | R362-R366 WeakPolarHBondContact O-CB 3.22Å; R362-R366 PolarHBondContact O-N 2.82Å; D363-R366 PolarHBondContact O-N 3.02Å; D363-R366 VanDerWaalsContact O-N 3.16Å; D363-R366 IonicContact OD1-NH2 3.11Å; R366-N369 CarbonylContact O-C 3.59Å; R366-N369 PolarHBondContact O-N 3.47Å; R366-L370 WeakPolarHBondContact O-CB 3.32Å; R366-L370 PolarHBondContact O-N 3.04Å |
| 367 | E | 67.4 | Low | 69.2 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 64% | 0.64 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 174.2 | -171 | 176.6 | -162.4 | 0 | 0 | 111.5 | D363 N369 L370 A371 | D363-E367 VanDerWaalsContact O-CB 3.32Å; D363-E367 WeakPolarHBondContact O-CB 3.5Å; D363-E367 PolarHBondContact O-N 2.88Å; E367-N369 VanDerWaalsContact C-N 3.29Å; E367-N369 PolarHBondContact O-N 3.35Å; E367-L370 PolarHBondContact O-N 3.38Å; E367-A371 WeakPolarHBondContact O-CB 3.35Å; E367-A371 PolarHBondContact O-N 3.48Å |
| 368 | R | 72.9 | Confident | 68.6 | Low | 173 Ų | 173 | 114.7 Ų | 114.7 | 65% | 0.653 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.7 | -33.2 | 173.2 | -163.3 | -179.2 | -158.3 | -171.5 | 4.7 | 112.8 | R364 A365 R372 | R364-R368 VanDerWaalsContact O-CB 3.3Å; R364-R368 WeakPolarHBondContact O-CB 3.41Å; R364-R368 PolarHBondContact O-N 3.13Å; A365-R368 PolarHBondContact O-N 2.76Å; R368-R372 WeakPolarHBondContact O-CD 3.3Å; R368-R372 VanDerWaalsContact O-CG 3.26Å; R368-R372 WeakPolarHBondContact O-CG 3.46Å; R368-R372 PolarHBondContact O-N 2.85Å |
| 369 | N | 67.8 | Low | 68 | Low | 109 Ų | 109 | 110 Ų | 110 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -79.5 | -37.7 | 175.6 | -79 | -12.4 | 0 | 0 | 0 | 112.5 | A365 R366 E367 R372 S373 | A365-N369 WeakPolarHBondContact O-CB 3.41Å; A365-N369 PolarHBondContact O-N 3.16Å; R366-N369 CarbonylContact O-C 3.59Å; R366-N369 PolarHBondContact O-N 3.47Å; E367-N369 VanDerWaalsContact C-N 3.29Å; E367-N369 PolarHBondContact O-N 3.35Å; N369-R372 CarbonylContact O-C 3.59Å; N369-R372 PolarHBondContact O-N 3.25Å; N369-R372 VanDerWaalsContact O-N 3.16Å; N369-S373 WeakPolarHBondContact O-CB 3.11Å; N369-S373 PolarHBondContact O-N 3.23Å |
| 370 | L | 59.1 | Low | 67.8 | Low | 112 Ų | 112 | 115.7 Ų | 115.7 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 175.6 | -131.5 | 79.1 | 0 | 0 | 0 | 110.9 | R366 E367 R372 S373 | R366-L370 WeakPolarHBondContact O-CB 3.32Å; R366-L370 PolarHBondContact O-N 3.04Å; E367-L370 PolarHBondContact O-N 3.38Å; L370-R372 PolarHBondContact O-N 2.92Å; L370-S373 PolarHBondContact O-N 3.16Å |
| 371 | A | 64.8 | Low | 67.2 | Low | 91 Ų | 91 | 113.5 Ų | 113.5 | 75% | 0.752 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -17.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E367 | E367-A371 WeakPolarHBondContact O-CB 3.35Å; E367-A371 PolarHBondContact O-N 3.48Å |
| 372 | R | 65 | Low | 66.5 | Low | 195 Ų | 195 | 117.6 Ų | 117.6 | 74% | 0.736 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -15.9 | 176.3 | -73.6 | 177.7 | 177.6 | -112.8 | -4 | 113.7 | R368 N369 L370 | R368-R372 WeakPolarHBondContact O-CD 3.3Å; R368-R372 VanDerWaalsContact O-CG 3.26Å; R368-R372 WeakPolarHBondContact O-CG 3.46Å; R368-R372 PolarHBondContact O-N 2.85Å; N369-R372 CarbonylContact O-C 3.59Å; N369-R372 PolarHBondContact O-N 3.25Å; N369-R372 VanDerWaalsContact O-N 3.16Å; L370-R372 PolarHBondContact O-N 2.92Å |
| 373 | S | 57.7 | Low | 66.1 | Low | 54 Ų | 54 | 118.6 Ų | 118.6 | 38% | 0.378 | 59% | 0.587 | S | S | . | * | trans | -107.5 | 101.6 | -174.9 | 159.9 | 0 | 0 | 0 | 0 | 110.2 | N369 L370 N375 | N369-S373 WeakPolarHBondContact O-CB 3.11Å; N369-S373 PolarHBondContact O-N 3.23Å; L370-S373 PolarHBondContact O-N 3.16Å; S373-N375 PolarHBondContact O-N 2.77Å | ||
| 374 | N | 61.1 | Low | 65.8 | Low | 132 Ų | 132 | 117.5 Ų | 117.5 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 36.5 | -177.4 | -149.1 | 3.6 | 0 | 0 | 0 | 114.6 | ||
| 375 | N | 61.8 | Low | 65.4 | Low | 105 Ų | 105 | 117.3 Ų | 117.3 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -86.7 | -22.3 | -177.8 | -92 | -7.1 | 0 | 0 | 0 | 113.3 | S373 A377 K378 A379 | S373-N375 PolarHBondContact O-N 2.77Å; N375-A377 VanDerWaalsContact C-N 3.33Å; N375-K378 PolarHBondContact O-N 3.09Å; N375-A379 PolarHBondContact O-N 3.34Å |
| 376 | E | 57.8 | Low | 65 | Low | 156 Ų | 156 | 122.6 Ų | 122.6 | 73% | 0.729 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.6 | -31 | 178.4 | -146 | 172.3 | -158.9 | 0 | 0 | 112 | K380 | E376-K380 PolarHBondContact O-N 3.14Å |
| 377 | A | 61.6 | Low | 65.1 | Low | 43 Ų | 43 | 120.3 Ų | 120.3 | 36% | 0.355 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -39.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N375 K380 I381 | N375-A377 VanDerWaalsContact C-N 3.33Å; A377-K380 PolarHBondContact O-N 3.43Å; A377-I381 WeakPolarHBondContact O-CB 3.36Å; A377-I381 WeakPolarHBondContact O-CD1 3.47Å; A377-I381 WeakPolarHBondContact O-CG1 3.3Å; A377-I381 PolarHBondContact O-N 3.48Å; A377-I381 VanDerWaalsContact O-N 3.12Å |
| 378 | K | 62.9 | Low | 65.4 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.1 | -43.7 | -176.7 | -69.2 | -174.3 | 174.1 | -175.8 | 0 | 112.9 | N375 K380 I381 E382 | N375-K378 PolarHBondContact O-N 3.09Å; K378-K380 VanDerWaalsContact C-N 3.33Å; K378-K380 PolarHBondContact O-N 2.94Å; K378-I381 PolarHBondContact O-N 3.17Å; K378-E382 PolarHBondContact O-N 3.3Å |
| 379 | A | 66.2 | Low | 65.1 | Low | 68 Ų | 68 | 116.2 Ų | 116.2 | 56% | 0.562 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.2 | -31.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N375 | N375-A379 PolarHBondContact O-N 3.34Å |
| 380 | K | 66.5 | Low | 65.5 | Low | 155 Ų | 155 | 115 Ų | 115 | 67% | 0.674 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73 | -38.8 | 176.1 | -141.8 | 179.3 | -175.7 | -172 | 0 | 111.8 | E376 A377 K378 D384 | E376-K380 PolarHBondContact O-N 3.14Å; A377-K380 PolarHBondContact O-N 3.43Å; K378-K380 VanDerWaalsContact C-N 3.33Å; K378-K380 PolarHBondContact O-N 2.94Å; K380-D384 PolarHBondContact O-N 3.3Å |
| 381 | I | 64.9 | Low | 66.2 | Low | 112 Ų | 112 | 114.5 Ų | 114.5 | 57% | 0.574 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 179.4 | -70.1 | 164.3 | 0 | 0 | 0 | 112 | A377 K378 K385 | A377-I381 WeakPolarHBondContact O-CB 3.36Å; A377-I381 WeakPolarHBondContact O-CD1 3.47Å; A377-I381 WeakPolarHBondContact O-CG1 3.3Å; A377-I381 PolarHBondContact O-N 3.48Å; A377-I381 VanDerWaalsContact O-N 3.12Å; K378-I381 PolarHBondContact O-N 3.17Å; I381-K385 PolarHBondContact O-N 2.83Å |
| 382 | E | 67.6 | Low | 66.5 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.3 | -41.2 | 179.5 | -166.9 | 166.5 | -160 | 0 | 0 | 111.9 | K378 D384 K385 | K378-E382 PolarHBondContact O-N 3.3Å; E382-D384 PolarHBondContact O-N 3.42Å; E382-K385 WeakPolarHBondContact O-CB 3.31Å; E382-K385 PolarHBondContact O-N 3.47Å |
| 383 | K | 67.8 | Low | 66.7 | Low | 153 Ų | 153 | 108.3 Ų | 108.3 | 67% | 0.665 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.3 | -28.6 | 178.4 | -162.8 | 173.4 | -176.1 | 177.1 | 0 | 113.9 | K385 | K383-K385 VanDerWaalsContact C-N 3.32Å |
| 384 | D | 65.1 | Low | 67.5 | Low | 49 Ų | 49 | 110 Ų | 110 | 26% | 0.262 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -81.6 | -13.8 | 175.4 | -71.8 | -15.2 | 0 | 0 | 0 | 112.7 | K380 E382 R387 Q392 | K380-D384 PolarHBondContact O-N 3.3Å; E382-D384 PolarHBondContact O-N 3.42Å; D384-R387 IonicContact OD1-CZ 3.14Å; D384-R387 IonicContact OD1-NE 3.24Å; D384-R387 PolarHBondContact OD1-NE 3.03Å; D384-R387 IonicContact OD1-NH2 2.71Å; D384-R387 PolarHBondContact OD1-NH2 2.98Å; D384-Q392 PolarHBondContact O-NE2 2.81Å; D384-Q392 VanDerWaalsContact O-NE2 3.14Å |
| 385 | K | 69.4 | Low | 67.8 | Low | 166 Ų | 166 | 108.6 Ų | 108.6 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -80.2 | -24.7 | 179.2 | -149.9 | 177 | -176.4 | -177.1 | 0 | 113.2 | I381 E382 K383 | I381-K385 PolarHBondContact O-N 2.83Å; E382-K385 WeakPolarHBondContact O-CB 3.31Å; E382-K385 PolarHBondContact O-N 3.47Å; K383-K385 VanDerWaalsContact C-N 3.32Å |
| 386 | E | 68 | Low | 68.1 | Low | 162 Ų | 162 | 106.8 Ų | 106.8 | 76% | 0.757 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -92.1 | -4.7 | 178.7 | -66 | -174.1 | 163 | 0 | 0 | 114.1 | D388 | E386-D388 PolarHBondContact O-N 3.47Š|
| 387 | R | 72 | Confident | 68.6 | Low | 74 Ų | 74 | 102.8 Ų | 102.8 | 28% | 0.279 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -70.5 | 129.5 | 177.4 | -67.1 | -172.6 | -161.7 | -174.2 | 10.9 | 110.6 | D384 Q392 | D384-R387 IonicContact OD1-CZ 3.14Å; D384-R387 IonicContact OD1-NE 3.24Å; D384-R387 PolarHBondContact OD1-NE 3.03Å; D384-R387 IonicContact OD1-NH2 2.71Å; D384-R387 PolarHBondContact OD1-NH2 2.98Å; R387-Q392 HydrophobicContact CB-CG 4.16Å |
| 388 | D | 72.5 | Confident | 68.6 | Low | 114 Ų | 114 | 106.2 Ų | 106.2 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | trans | -56.2 | 145.8 | 174.3 | -82.5 | -27 | 0 | 0 | 0 | 110.8 | E386 S390 E391 Q392 | E386-D388 PolarHBondContact O-N 3.47Å; D388-S390 PolarHBondContact O-N 3.2Å; D388-S390 VanDerWaalsContact O-N 3.1Å; D388-E391 HydrophobicContact CB-CG 4.48Å; D388-E391 PolarHBondContact O-N 2.84Å; D388-Q392 PolarHBondContact O-N 2.85Å | ||
| 389 | I | 67.6 | Low | 68.7 | Low | 111 Ų | 111 | 103.4 Ų | 103.4 | 57% | 0.569 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57 | -31.8 | -176.3 | -60.8 | 164.5 | 0 | 0 | 0 | 110.8 | I393 | I389-I393 HydrophobicContact CG2-CD1 4.13Å; I389-I393 WeakPolarHBondContact O-CD1 3.23Å; I389-I393 VanDerWaalsContact O-CG1 3.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.35Å; I389-I393 PolarHBondContact O-N 3.43Å |
| 390 | S | 76.6 | Confident | 68.3 | Low | 82 Ų | 82 | 104 Ų | 104 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.2 | -39.1 | 173.6 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | D388 I393 A394 | D388-S390 PolarHBondContact O-N 3.2Å; D388-S390 VanDerWaalsContact O-N 3.1Å; S390-I393 PolarHBondContact O-N 2.81Å; S390-A394 WeakPolarHBondContact O-CB 3.31Å; S390-A394 PolarHBondContact O-N 3.12Å |
| 391 | E | 74 | Confident | 67.9 | Low | 103 Ų | 103 | 105.8 Ų | 105.8 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -75.5 | -33.8 | 178.5 | -64.9 | -165.6 | 165.4 | 0 | 0 | 112.4 | D388 I393 A394 L395 | D388-E391 HydrophobicContact CB-CG 4.48Å; D388-E391 PolarHBondContact O-N 2.84Å; E391-I393 VanDerWaalsContact C-N 3.32Å; E391-I393 PolarHBondContact O-N 3.45Å; E391-A394 PolarHBondContact O-N 2.85Å; E391-L395 WeakPolarHBondContact O-CB 3.45Å; E391-L395 PolarHBondContact O-N 2.88Å |
| 392 | Q | 69.7 | Low | 67.5 | Low | 23 Ų | 23 | 109 Ų | 109 | 11% | 0.107 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -62.5 | -39.3 | 171.6 | -81.5 | -176.9 | -7.1 | 0 | 0 | 111.9 | D384 R387 D388 G396 L397 | D384-Q392 PolarHBondContact O-NE2 2.81Å; D384-Q392 VanDerWaalsContact O-NE2 3.14Å; R387-Q392 HydrophobicContact CB-CG 4.16Å; D388-Q392 PolarHBondContact O-N 2.85Å; Q392-G396 PolarHBondContact O-N 2.76Å; Q392-L397 PolarHBondContact O-N 2.92Å |
| 393 | I | 69.2 | Low | 66.8 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 68% | 0.677 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.1 | -43.3 | 176.4 | -66.2 | 166.5 | 0 | 0 | 0 | 110.8 | I389 S390 E391 L395 G396 | I389-I393 HydrophobicContact CG2-CD1 4.13Å; I389-I393 WeakPolarHBondContact O-CD1 3.23Å; I389-I393 VanDerWaalsContact O-CG1 3.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.35Å; I389-I393 PolarHBondContact O-N 3.43Å; S390-I393 PolarHBondContact O-N 2.81Å; E391-I393 VanDerWaalsContact C-N 3.32Å; E391-I393 PolarHBondContact O-N 3.45Å; I393-L395 VanDerWaalsContact C-N 3.32Å; I393-L395 PolarHBondContact O-N 3.25Å; I393-G396 PolarHBondContact O-N 3.26Å |
| 394 | A | 74.8 | Confident | 66.2 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 74% | 0.736 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68 | -27.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | S390 E391 | S390-A394 WeakPolarHBondContact O-CB 3.31Å; S390-A394 PolarHBondContact O-N 3.12Å; E391-A394 PolarHBondContact O-N 2.85Å |
| 395 | L | 67.6 | Low | 65.7 | Low | 103 Ų | 103 | 111.8 Ų | 111.8 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | 3.8 | 177.7 | -82.7 | 152.2 | 0 | 0 | 0 | 114.2 | E391 I393 L397 | E391-L395 WeakPolarHBondContact O-CB 3.45Å; E391-L395 PolarHBondContact O-N 2.88Å; I393-L395 VanDerWaalsContact C-N 3.32Å; I393-L395 PolarHBondContact O-N 3.25Å; L395-L397 HydrophobicContact CB-CD1 3.8Å; L395-L397 HydrophobicContact CB-CG 4.13Å; L395-L397 PolarHBondContact O-N 3.4Å; L395-L397 VanDerWaalsContact O-N 3.15Å |
| 396 | G | 68.6 | Low | 64.8 | Low | 68 Ų | 68 | 111.4 Ų | 111.4 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.4 | 24.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q392 I393 | Q392-G396 PolarHBondContact O-N 2.76Å; I393-G396 PolarHBondContact O-N 3.26Å |
| 397 | L | 68.1 | Low | 64 | Low | 71 Ų | 71 | 111.8 Ų | 111.8 | 37% | 0.372 | 62% | 0.615 | S | S | . | * | trans | -84.8 | 123.7 | -177.4 | -74.6 | 161.6 | 0 | 0 | 0 | 109.5 | Q392 L395 N399 | Q392-L397 PolarHBondContact O-N 2.92Å; L395-L397 HydrophobicContact CB-CD1 3.8Å; L395-L397 HydrophobicContact CB-CG 4.13Å; L395-L397 PolarHBondContact O-N 3.4Å; L395-L397 VanDerWaalsContact O-N 3.15Å; L397-N399 PolarHBondContact O-N 3.02Å | ||
| 398 | P | 62.4 | Low | 63.4 | Low | 115 Ų | 115 | 113 Ų | 113 | 75% | 0.747 | 64% | 0.635 | S | S | * | * | trans | -64.9 | 131.6 | 179.9 | 24.5 | -31.6 | 0 | 0 | 0 | 111 | P400 | P398-P400 VanDerWaalsContact O-CD 3.3Å; P398-P400 WeakPolarHBondContact O-CD 3.49Å | ||
| 399 | N | 63.6 | Low | 62.9 | Low | 86 Ų | 86 | 116.5 Ų | 116.5 | 46% | 0.46 | 65% | 0.653 | S | S | . | * | trans | -56.6 | 113.1 | -176.6 | -179.3 | 3.2 | 0 | 0 | 0 | 111.9 | L397 R401 | L397-N399 PolarHBondContact O-N 3.02Å; N399-R401 PolarHBondContact O-N 3.33Å; N399-R401 VanDerWaalsContact O-N 3.1Å; N399-R401 VanDerWaalsContact OD1-CB 3.3Å; N399-R401 WeakPolarHBondContact OD1-CB 3.44Å; N399-R401 WeakPolarHBondContact OD1-CG 3.45Å; N399-R401 PolarHBondContact OD1-N 2.96Å; N399-R401 VanDerWaalsContact OD1-N 3.07Å | ||
| 400 | P | 57.7 | Low | 63 | Low | 81 Ų | 81 | 117 Ų | 117 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -71.9 | -2.6 | -177.4 | 28.8 | -34 | 0 | 0 | 0 | 113.7 | P398 F402 | P398-P400 VanDerWaalsContact O-CD 3.3Å; P398-P400 WeakPolarHBondContact O-CD 3.49Å; P400-F402 VanDerWaalsContact C-N 3.32Å; P400-F402 PolarHBondContact O-N 2.87Å |
| 401 | R | 57.8 | Low | 62.7 | Low | 192 Ų | 192 | 116 Ų | 116 | 73% | 0.725 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -79.9 | -8.2 | -179.7 | -60.6 | -176.4 | -173.5 | -176.9 | 3.1 | 114.4 | N399 | N399-R401 PolarHBondContact O-N 3.33Å; N399-R401 VanDerWaalsContact O-N 3.1Å; N399-R401 VanDerWaalsContact OD1-CB 3.3Å; N399-R401 WeakPolarHBondContact OD1-CB 3.44Å; N399-R401 WeakPolarHBondContact OD1-CG 3.45Å; N399-R401 PolarHBondContact OD1-N 2.96Å; N399-R401 VanDerWaalsContact OD1-N 3.07Å |
| 402 | F | 57.1 | Low | 62.9 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 78% | 0.781 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -89.4 | -14.3 | -175.4 | -120.7 | -87.9 | 0 | 0 | 0 | 115 | P400 | P400-F402 VanDerWaalsContact C-N 3.32Å; P400-F402 PolarHBondContact O-N 2.87Å |
| 403 | N | 54.3 | Low | 63.2 | Low | 162 Ų | 162 | 126.9 Ų | 126.9 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -143.8 | 24.6 | -165.7 | -101.9 | 0 | 0 | 0 | 0 | 116.8 | ||
| 404 | S | 53.9 | Low | 63.4 | Low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -134.4 | 50.7 | -173 | -170.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 405 | T | 54.5 | Low | 63.2 | Low | 142 Ų | 142 | 128.2 Ų | 128.2 | 87% | 0.871 | 67% | 0.671 | S | S | * | * | trans | -95.4 | 82.2 | 163.4 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 406 | N | 50.5 | Low | 63.3 | Low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | trans | -102.1 | 53.1 | 179.7 | -101 | -16 | 0 | 0 | 0 | 111.9 | ||||
| 407 | E | 52.4 | Low | 63.5 | Low | 170 Ų | 170 | 133.2 Ų | 133.2 | 79% | 0.794 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -142.8 | 107.5 | 167.4 | -94 | 178.5 | 177.6 | 0 | 0 | 110.4 | ||
| 408 | S | 58.3 | Low | 63.6 | Low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | trans | 58.8 | 121.9 | 159.6 | 44.6 | 0 | 0 | 0 | 0 | 119.2 | F410 | S408-F410 VanDerWaalsContact O-CD1 3.22Å; S408-F410 WeakPolarHBondContact O-CD1 3.31Å; S408-F410 PolarHBondContact O-N 3.12Å | ||
| 409 | L | 62.3 | Low | 63.7 | Low | 188 Ų | 188 | 136.6 Ų | 136.6 | 98% | 0.984 | 69% | 0.693 | S | S | * | * | trans | -58.1 | 87.2 | 171.5 | -70.8 | 89.5 | 0 | 0 | 0 | 112.1 | ||||
| 410 | F | 69.4 | Low | 63.8 | Low | 121 Ų | 121 | 135.7 Ų | 135.7 | 53% | 0.531 | 70% | 0.704 | S | S | . | * | trans | -102.5 | 132.4 | 161.7 | 61.5 | -91.7 | 0 | 0 | 0 | 109.6 | S408 Q412 F415 | S408-F410 VanDerWaalsContact O-CD1 3.22Å; S408-F410 WeakPolarHBondContact O-CD1 3.31Å; S408-F410 PolarHBondContact O-N 3.12Å; F410-Q412 PolarHBondContact O-N 3.04Å; F410-F415 HydrophobicContact CD2-CD2 4.04Å; F410-F415 HydrophobicContact CE2-CD2 4.39Å | ||
| 411 | D | 71.5 | Confident | 64.2 | Low | 62 Ų | 62 | 140.3 Ų | 140.3 | 33% | 0.332 | 72% | 0.723 | S | S | . | * | trans | -71.2 | 115.1 | 175.3 | -168.8 | -19.8 | 0 | 0 | 0 | 108.5 | R413 L414 F415 | D411-R413 PolarHBondContact O-N 3.44Å; D411-R413 VanDerWaalsContact O-N 3.08Å; D411-R413 VanDerWaalsContact OD1-CB 3.25Å; D411-R413 WeakPolarHBondContact OD1-CB 3.5Å; D411-R413 WeakPolarHBondContact OD1-CG 3.34Å; D411-R413 IonicContact OD1-CZ 3.95Å; D411-R413 PolarHBondContact OD1-N 3.5Å; D411-R413 IonicContact OD1-NE 3.4Å; D411-R413 PolarHBondContact OD1-NE 2.83Å; D411-R413 IonicContact OD1-NH2 3.02Å; D411-R413 IonicContact OD2-CZ 2.85Å; D411-R413 IonicContact OD2-NE 3.64Å; D411-R413 PolarHBondContact OD2-NE 3.19Å; D411-R413 VanDerWaalsContact OD2-NE 3.11Å; D411-R413 IonicContact OD2-NH2 2.7Å; D411-R413 PolarHBondContact OD2-NH2 3.2Å; D411-L414 HydrophobicContact CB-CB 4.42Å; D411-L414 HydrophobicContact CB-CD1 3.87Å; D411-L414 HydrophobicContact CB-CG 4.1Å; D411-L414 WeakPolarHBondContact O-CB 3.32Å; D411-L414 PolarHBondContact O-N 3.09Å; D411-F415 PolarHBondContact O-N 3.1Å | ||
| 412 | Q | 76.9 | Confident | 64.6 | Low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -21.2 | 179.4 | -141.1 | 155.8 | 14.5 | 0 | 0 | 112.3 | F410 L414 F415 | F410-Q412 PolarHBondContact O-N 3.04Å; Q412-L414 VanDerWaalsContact C-N 3.28Å; Q412-L414 PolarHBondContact O-N 2.79Å; Q412-F415 PolarHBondContact O-N 3.42Å |
| 413 | R | 77.1 | Confident | 65 | Low | 191 Ų | 191 | 134.8 Ų | 134.8 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -20.4 | 173.9 | -59.8 | 174.1 | -71.4 | -179.1 | 0 | 113.1 | D411 Q417 | D411-R413 PolarHBondContact O-N 3.44Å; D411-R413 VanDerWaalsContact O-N 3.08Å; D411-R413 VanDerWaalsContact OD1-CB 3.25Å; D411-R413 WeakPolarHBondContact OD1-CB 3.5Å; D411-R413 WeakPolarHBondContact OD1-CG 3.34Å; D411-R413 IonicContact OD1-CZ 3.95Å; D411-R413 PolarHBondContact OD1-N 3.5Å; D411-R413 IonicContact OD1-NE 3.4Å; D411-R413 PolarHBondContact OD1-NE 2.83Å; D411-R413 IonicContact OD1-NH2 3.02Å; D411-R413 IonicContact OD2-CZ 2.85Å; D411-R413 IonicContact OD2-NE 3.64Å; D411-R413 PolarHBondContact OD2-NE 3.19Å; D411-R413 VanDerWaalsContact OD2-NE 3.11Å; D411-R413 IonicContact OD2-NH2 2.7Å; D411-R413 PolarHBondContact OD2-NH2 3.2Å; R413-Q417 PolarHBondContact O-NE2 3.45Å |
| 414 | L | 72.3 | Confident | 65.4 | Low | 116 Ų | 116 | 129.7 Ų | 129.7 | 61% | 0.607 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -16.4 | 177.2 | -67.1 | 170.7 | 0 | 0 | 0 | 112.3 | D411 Q412 | D411-L414 HydrophobicContact CB-CB 4.42Å; D411-L414 HydrophobicContact CB-CD1 3.87Å; D411-L414 HydrophobicContact CB-CG 4.1Å; D411-L414 WeakPolarHBondContact O-CB 3.32Å; D411-L414 PolarHBondContact O-N 3.09Å; Q412-L414 VanDerWaalsContact C-N 3.28Å; Q412-L414 PolarHBondContact O-N 2.79Å |
| 415 | F | 71.1 | Confident | 66 | Low | 134 Ų | 134 | 133.6 Ų | 133.6 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 139.2 | 175.8 | -133.2 | -94.7 | 0 | 0 | 0 | 110.4 | F410 D411 Q412 Q417 | F410-F415 HydrophobicContact CD2-CD2 4.04Å; F410-F415 HydrophobicContact CE2-CD2 4.39Å; D411-F415 PolarHBondContact O-N 3.1Å; Q412-F415 PolarHBondContact O-N 3.42Å; F415-Q417 VanDerWaalsContact C-N 3.3Å; F415-Q417 PolarHBondContact O-N 3.49Å |
| 416 | N | 70.7 | Confident | 66.4 | Low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.5 | 22.6 | -173.2 | -63 | -23.5 | 0 | 0 | 0 | 116.1 | S418 | N416-S418 PolarHBondContact O-N 3.33Š|
| 417 | Q | 71.7 | Confident | 67.3 | Low | 119 Ų | 119 | 129.8 Ų | 129.8 | 56% | 0.556 | 71% | 0.705 | S | S | * | * | trans | -74.8 | 114.8 | 161.8 | -64.9 | -169.2 | 0.9 | 0 | 0 | 109 | R413 F415 K419 | R413-Q417 PolarHBondContact O-NE2 3.45Å; F415-Q417 VanDerWaalsContact C-N 3.3Å; F415-Q417 PolarHBondContact O-N 3.49Å; Q417-K419 PolarHBondContact O-N 3.28Å | ||
| 418 | S | 69.6 | Low | 68 | Low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -71.4 | 27.4 | -169.1 | 56.4 | 0 | 0 | 0 | 0 | 116.1 | N416 | N416-S418 PolarHBondContact O-N 3.33Š|
| 419 | K | 65.8 | Low | 68.6 | Low | 140 Ų | 140 | 120.7 Ų | 120.7 | 61% | 0.609 | 67% | 0.669 | S | S | * | * | trans | -103.1 | 8.1 | -168.8 | -77.9 | -167.9 | 171.2 | -165.7 | 0 | 116.6 | Q417 S423 | Q417-K419 PolarHBondContact O-N 3.28Å; K419-S423 PolarHBondContact O-OG 3.18Å | ||
| 420 | G | 65.5 | Low | 69 | Low | 67 Ų | 67 | 118.6 Ų | 118.6 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -96.5 | -30 | -164.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 421 | L | 66.2 | Low | 69.4 | Low | 178 Ų | 178 | 120 Ų | 120 | 93% | 0.932 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -124.6 | -21.9 | -172.1 | -79.3 | 163.8 | 0 | 0 | 0 | 114.3 | ||
| 422 | D | 65.4 | Low | 69.3 | Low | 163 Ų | 163 | 120.5 Ų | 120.5 | 87% | 0.872 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.1 | -4 | -178.1 | -118.5 | 10.9 | 0 | 0 | 0 | 113.2 | G424 | D422-G424 PolarHBondContact O-N 3.37Š|
| 423 | S | 64.9 | Low | 69 | Low | 91 Ų | 91 | 123 Ų | 123 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -87.9 | 19.3 | -178.6 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | K419 | K419-S423 PolarHBondContact O-OG 3.18Š| ||
| 424 | G | 64.6 | Low | 69 | Low | 55 Ų | 55 | 119.7 Ų | 119.7 | 57% | 0.567 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -72.7 | 137.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D422 E426 | D422-G424 PolarHBondContact O-N 3.37Å; G424-E426 PolarHBondContact O-N 3.18Å |
| 425 | F | 65.7 | Low | 69.2 | Low | 175 Ų | 175 | 120.3 Ų | 120.3 | 77% | 0.768 | 68% | 0.677 | S | S | * | * | trans | -55.3 | 103.3 | 167.8 | -163.8 | -110.8 | 0 | 0 | 0 | 107.8 | G427 | F425-G427 PolarHBondContact O-N 3.44Š| ||
| 426 | E | 63.4 | Low | 69.5 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | trans | -66.2 | 78.3 | -168.2 | -160.1 | 176.8 | -168.6 | 0 | 0 | 110.4 | G424 G428 A429 L432 | G424-E426 PolarHBondContact O-N 3.18Å; E426-G428 PolarHBondContact O-N 3.12Å; E426-A429 PolarHBondContact O-N 3.3Å; E426-A429 VanDerWaalsContact O-N 3.12Å; E426-L432 WeakPolarHBondContact OE2-CD2 3.46Å | ||
| 427 | G | 69.2 | Low | 69.7 | Low | 86 Ų | 86 | 123 Ų | 123 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.2 | 8.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | F425 | F425-G427 PolarHBondContact O-N 3.44Š|
| 428 | G | 66.2 | Low | 70 | Confident | 32 Ų | 32 | 125.1 Ų | 125.1 | 33% | 0.33 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 74.3 | 32 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E426 D430 | E426-G428 PolarHBondContact O-N 3.12Å; G428-D430 PolarHBondContact O-N 3.02Å; G428-D430 VanDerWaalsContact O-N 3.1Å |
| 429 | A | 71 | Confident | 70.6 | Confident | 48 Ų | 48 | 124.5 Ų | 124.5 | 40% | 0.397 | 68% | 0.684 | S | S | . | * | trans | -70.2 | 99.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E426 D431 L432 | E426-A429 PolarHBondContact O-N 3.3Å; E426-A429 VanDerWaalsContact O-N 3.12Å; A429-D431 PolarHBondContact O-N 3.07Å; A429-L432 HydrophobicContact CB-CD1 3.46Å; A429-L432 VanDerWaalsContact CB-CD1 3.46Å; A429-L432 PolarHBondContact O-N 3.1Å; A429-L432 VanDerWaalsContact O-N 3.15Å | ||
| 430 | D | 71.9 | Confident | 71.3 | Confident | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -14.6 | 179 | -77.2 | -17.4 | 0 | 0 | 0 | 114.1 | G428 L432 | G428-D430 PolarHBondContact O-N 3.02Å; G428-D430 VanDerWaalsContact O-N 3.1Å; D430-L432 VanDerWaalsContact C-N 3.34Å |
| 431 | D | 76.6 | Confident | 71.9 | Confident | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -15.6 | -179.9 | -64.6 | -23.6 | 0 | 0 | 0 | 113.2 | A429 Y433 | A429-D431 PolarHBondContact O-N 3.07Å; D431-Y433 PolarHBondContact O-N 3.46Å |
| 432 | L | 70 | Confident | 72.1 | Confident | 72 Ų | 72 | 126.7 Ų | 126.7 | 38% | 0.377 | 67% | 0.668 | S | S | . | * | trans | -90.3 | 95.5 | 176.2 | -74.2 | 110.8 | 0 | 0 | 0 | 109.8 | E426 A429 D430 N434 | E426-L432 WeakPolarHBondContact OE2-CD2 3.46Å; A429-L432 HydrophobicContact CB-CD1 3.46Å; A429-L432 VanDerWaalsContact CB-CD1 3.46Å; A429-L432 PolarHBondContact O-N 3.1Å; A429-L432 VanDerWaalsContact O-N 3.15Å; D430-L432 VanDerWaalsContact C-N 3.34Å; L432-N434 PolarHBondContact O-N 3.24Å | ||
| 433 | Y | 70.7 | Confident | 72.1 | Confident | 213 Ų | 213 | 122.9 Ų | 122.9 | 84% | 0.835 | 65% | 0.647 | S | S | * | * | trans | -63.6 | 46.7 | 175.5 | -87.9 | -94.3 | 0 | 0 | 0 | 114.3 | D431 I435 | D431-Y433 PolarHBondContact O-N 3.46Å; Y433-I435 PolarHBondContact O-N 3.09Å | ||
| 434 | N | 76.2 | Confident | 72.2 | Confident | 122 Ų | 122 | 123.1 Ų | 123.1 | 65% | 0.652 | 65% | 0.649 | S | S | * | * | trans | -98.6 | 29.9 | -173.1 | -63.8 | -13.9 | 0 | 0 | 0 | 112.7 | L432 Y436 | L432-N434 PolarHBondContact O-N 3.24Å; N434-Y436 VanDerWaalsContact C-N 3.29Å; N434-Y436 PolarHBondContact O-N 3.47Å | ||
| 435 | I | 76 | Confident | 72.1 | Confident | 130 Ų | 130 | 128 Ų | 128 | 67% | 0.667 | 66% | 0.657 | S | S | * | * | trans | -69.3 | -25.4 | -175 | -62.9 | 167.1 | 0 | 0 | 0 | 112.5 | Y433 | Y433-I435 PolarHBondContact O-N 3.09Š| ||
| 436 | Y | 78.1 | Confident | 72.1 | Confident | 198 Ų | 198 | 124.2 Ų | 124.2 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | trans | -117.9 | 125.2 | -174.9 | -59.9 | -70.3 | 0 | 0 | 0 | 112.1 | N434 K438 | N434-Y436 VanDerWaalsContact C-N 3.29Å; N434-Y436 PolarHBondContact O-N 3.47Å; Y436-K438 PolarHBondContact O-N 3.13Å | ||
| 437 | D | 74.9 | Confident | 72.2 | Confident | 148 Ų | 148 | 122.6 Ų | 122.6 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -70.2 | -15.5 | 178.5 | -69.9 | -22 | 0 | 0 | 0 | 114.5 | ||
| 438 | K | 78.6 | Confident | 72.2 | Confident | 164 Ų | 164 | 123.1 Ų | 123.1 | 71% | 0.713 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -143.1 | 142.7 | -176.4 | -64.5 | -176.4 | -178.5 | -179.7 | 0 | 110.6 | Y436 | Y436-K438 PolarHBondContact O-N 3.13Š|
| 439 | P | 80.9 | Confident | 72.3 | Confident | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | trans | -64.4 | 144.7 | 172.7 | 27.7 | -33.8 | 0 | 0 | 0 | 111.1 | R441 | P439-R441 PolarHBondContact O-N 3.34Å; P439-R441 VanDerWaalsContact O-N 3.16Å | ||
| 440 | W | 80.7 | Confident | 72.2 | Confident | 234 Ų | 234 | 132 Ų | 132 | 89% | 0.886 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -54.8 | -33 | -178.8 | 167.4 | -111 | 0 | 0 | 0 | 113.9 | ||
| 441 | R | 78.9 | Confident | 71.7 | Confident | 159 Ų | 159 | 135.1 Ų | 135.1 | 60% | 0.6 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -116.1 | 129.9 | 175.7 | -70.3 | -87.7 | -136 | -100.6 | -3.9 | 108.6 | P439 D443 | P439-R441 PolarHBondContact O-N 3.34Å; P439-R441 VanDerWaalsContact O-N 3.16Å; R441-D443 HydrophobicContact CB-CB 4.24Å; R441-D443 PolarHBondContact O-N 2.83Å |
| 442 | G | 71.2 | Confident | 71 | Confident | 38 Ų | 38 | 135.7 Ų | 135.7 | 39% | 0.392 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | 17.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S444 E445 L446 | G442-S444 PolarHBondContact O-N 2.9Å; G442-E445 PolarHBondContact O-N 3.31Å; G442-L446 PolarHBondContact O-N 3.42Å |
| 443 | D | 64.6 | Low | 70.6 | Confident | 83 Ų | 83 | 137.9 Ų | 137.9 | 44% | 0.444 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -59.7 | -31.6 | -173.6 | -76.2 | -16.3 | 0 | 0 | 0 | 111.3 | R441 E445 L446 V447 | R441-D443 HydrophobicContact CB-CB 4.24Å; R441-D443 PolarHBondContact O-N 2.83Å; D443-E445 VanDerWaalsContact C-N 3.3Å; D443-E445 PolarHBondContact O-N 3.26Å; D443-L446 PolarHBondContact O-N 3.27Å; D443-V447 WeakPolarHBondContact O-CB 3.37Å; D443-V447 WeakPolarHBondContact O-CG2 3.27Å; D443-V447 PolarHBondContact O-N 2.93Å |
| 444 | S | 65.8 | Low | 70.1 | Confident | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.5 | -27.9 | 177.1 | -169.9 | 0 | 0 | 0 | 0 | 114.1 | G442 | G442-S444 PolarHBondContact O-N 2.9Å |
| 445 | E | 64.5 | Low | 69.4 | Low | 156 Ų | 156 | 140.4 Ų | 140.4 | 73% | 0.729 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90.2 | -36.3 | 177.7 | -70 | -177.6 | 167 | 0 | 0 | 111.1 | G442 D443 | G442-E445 PolarHBondContact O-N 3.31Å; D443-E445 VanDerWaalsContact C-N 3.3Å; D443-E445 PolarHBondContact O-N 3.26Å |
| 446 | L | 65.2 | Low | 68.5 | Low | 97 Ų | 97 | 142.7 Ų | 142.7 | 51% | 0.508 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -70.2 | -34.4 | 176.9 | -82.6 | 151 | 0 | 0 | 0 | 112.8 | G442 D443 N448 H449 I450 | G442-L446 PolarHBondContact O-N 3.42Å; D443-L446 PolarHBondContact O-N 3.27Å; L446-N448 PolarHBondContact O-N 2.9Å; L446-N448 VanDerWaalsContact O-N 3.11Å; L446-H449 PolarHBondContact O-N 2.68Å; L446-I450 HydrophobicContact CB-CD1 3.77Å; L446-I450 HydrophobicContact CB-CG1 4.29Å; L446-I450 WeakPolarHBondContact O-CD1 3.4Å; L446-I450 WeakPolarHBondContact O-CG1 3.43Å; L446-I450 PolarHBondContact O-N 3.14Å |
| 447 | V | 65.2 | Low | 67.3 | Low | 100 Ų | 100 | 139.3 Ų | 139.3 | 61% | 0.606 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -26.9 | 179.2 | 163.5 | 0 | 0 | 0 | 0 | 112.5 | D443 H449 | D443-V447 WeakPolarHBondContact O-CB 3.37Å; D443-V447 WeakPolarHBondContact O-CG2 3.27Å; D443-V447 PolarHBondContact O-N 2.93Å; V447-H449 VanDerWaalsContact C-N 3.27Å; V447-H449 PolarHBondContact O-N 2.87Å |
| 448 | N | 68.3 | Low | 66.5 | Low | 97 Ų | 97 | 135.8 Ų | 135.8 | 52% | 0.519 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -11.7 | 176.5 | -71.2 | -31.6 | 0 | 0 | 0 | 114.3 | L446 | L446-N448 PolarHBondContact O-N 2.9Å; L446-N448 VanDerWaalsContact O-N 3.11Å |
| 449 | H | 68.2 | Low | 65.6 | Low | 154 Ų | 154 | 135.7 Ų | 135.7 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | -14.4 | -174 | -66.3 | -65.7 | 0 | 0 | 0 | 115 | L446 V447 Y451 | L446-H449 PolarHBondContact O-N 2.68Å; V447-H449 VanDerWaalsContact C-N 3.27Å; V447-H449 PolarHBondContact O-N 2.87Å; H449-Y451 VanDerWaalsContact C-N 3.28Å; H449-Y451 PolarHBondContact O-N 2.7Å |
| 450 | I | 69.1 | Low | 64.7 | Low | 112 Ų | 112 | 134.6 Ų | 134.6 | 57% | 0.574 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -65.2 | -24.5 | -174.1 | -77.8 | 161.5 | 0 | 0 | 0 | 113.6 | L446 | L446-I450 HydrophobicContact CB-CD1 3.77Å; L446-I450 HydrophobicContact CB-CG1 4.29Å; L446-I450 WeakPolarHBondContact O-CD1 3.4Å; L446-I450 WeakPolarHBondContact O-CG1 3.43Å; L446-I450 PolarHBondContact O-N 3.14Å |
| 451 | Y | 61.3 | Low | 63.6 | Low | 209 Ų | 209 | 132 Ų | 132 | 82% | 0.82 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -154.9 | 93 | 175 | -147.2 | -102.8 | 0 | 0 | 0 | 112.5 | H449 | H449-Y451 VanDerWaalsContact C-N 3.28Å; H449-Y451 PolarHBondContact O-N 2.7Å |
| 452 | R | 61.7 | Low | 62.4 | Low | 164 Ų | 164 | 127 Ų | 127 | 62% | 0.619 | 65% | 0.653 | S | S | * | * | trans | -137.3 | 87.8 | 171.9 | -111.1 | 177.6 | 165 | 148 | -2 | 109.9 | R454 | R452-R454 PolarHBondContact O-N 3.27Š| ||
| 453 | P | 62.1 | Low | 61.6 | Low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | trans | -63.1 | 108 | 168.4 | 25.2 | -30.7 | 0 | 0 | 0 | 108.3 | ||||
| 454 | R | 60.9 | Low | 61.4 | Low | 191 Ų | 191 | 133.6 Ų | 133.6 | 72% | 0.721 | 69% | 0.685 | S | S | * | * | trans | -105.7 | 123.6 | 175 | -75.3 | -173.1 | 170.6 | -177.1 | -0.6 | 109.1 | R452 K456 | R452-R454 PolarHBondContact O-N 3.27Å; R454-K456 PolarHBondContact O-N 3.27Å | ||
| 455 | Q | 60.3 | Low | 61.2 | Low | 198 Ų | 198 | 133.1 Ų | 133.1 | 93% | 0.925 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -79 | 37.8 | -177.7 | -164.2 | 160.2 | -3.3 | 0 | 0 | 113.3 | ||
| 456 | K | 59 | Low | 61.1 | Low | 177 Ų | 177 | 131.1 Ų | 131.1 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | trans | -139.9 | 67.4 | -172.3 | -82.6 | -173 | 171.6 | -176.7 | 0 | 111.4 | R454 | R454-K456 PolarHBondContact O-N 3.27Š| ||
| 457 | D | 52.7 | Low | 61.1 | Low | 127 Ų | 127 | 129.3 Ų | 129.3 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | trans | -113.5 | 41.8 | 156.7 | -84.1 | -19.4 | 0 | 0 | 0 | 109.6 | D459 | D457-D459 VanDerWaalsContact C-N 3.26Å; D457-D459 PolarHBondContact O-N 3.49Å | ||
| 458 | T | 58.2 | Low | 60.9 | Low | 75 Ų | 75 | 128.7 Ų | 128.7 | 46% | 0.46 | 66% | 0.66 | S | S | . | * | trans | -71.8 | -17.9 | 176.7 | 17.7 | 0 | 0 | 0 | 0 | 113.6 | L465 | T458-L465 HydrophobicContact CG2-CD1 3.65Š| ||
| 459 | D | 58.8 | Low | 60.7 | Low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -97.2 | -13.2 | -174.1 | -56.9 | -27.6 | 0 | 0 | 0 | 112.5 | D457 | D457-D459 VanDerWaalsContact C-N 3.26Å; D457-D459 PolarHBondContact O-N 3.49Å |
| 460 | A | 62.4 | Low | 60.7 | Low | 79 Ų | 79 | 133.2 Ų | 133.2 | 65% | 0.653 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -86.3 | -15.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 461 | Y | 56.3 | Low | 60.4 | Low | 179 Ų | 179 | 130.7 Ų | 130.7 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -119.6 | 94.3 | 179.3 | -70.1 | -86.3 | 0 | 0 | 0 | 109.4 | ||
| 462 | G | 55.3 | Low | 60.7 | Low | 56 Ų | 56 | 130.4 Ų | 130.4 | 58% | 0.577 | 67% | 0.666 | S | S | * | * | trans | -56.8 | 139.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | D464 | G462-D464 PolarHBondContact O-N 2.71Š| ||
| 463 | T | 54.6 | Low | 61.1 | Low | 152 Ų | 152 | 132.8 Ų | 132.8 | 93% | 0.933 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 45.6 | 11.1 | 141.1 | 60.7 | 0 | 0 | 0 | 0 | 121.6 | ||
| 464 | D | 58.9 | Low | 61 | Low | 107 Ų | 107 | 134.9 Ų | 134.9 | 57% | 0.572 | 67% | 0.673 | S | S | * | * | trans | -110.1 | -3.7 | 177.5 | -131.5 | 2.8 | 0 | 0 | 0 | 113.8 | G462 A467 L468 | G462-D464 PolarHBondContact O-N 2.71Å; D464-A467 PolarHBondContact O-N 2.99Å; D464-L468 PolarHBondContact O-N 2.87Å; D464-L468 VanDerWaalsContact O-N 3.14Å | ||
| 465 | L | 62 | Low | 61.1 | Low | 87 Ų | 87 | 130.5 Ų | 130.5 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.8 | -28 | -178 | -80.8 | 171.5 | 0 | 0 | 0 | 114.5 | T458 K469 | T458-L465 HydrophobicContact CG2-CD1 3.65Å; L465-K469 WeakPolarHBondContact O-CB 3.38Å; L465-K469 WeakPolarHBondContact O-CG 3.25Å; L465-K469 PolarHBondContact O-N 3.35Å |
| 466 | D | 62.4 | Low | 61.2 | Low | 114 Ų | 114 | 125.7 Ų | 125.7 | 61% | 0.61 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -80.3 | -21.3 | 176.1 | -83 | -19.3 | 0 | 0 | 0 | 113.1 | ||
| 467 | A | 64.7 | Low | 61.6 | Low | 59 Ų | 59 | 125.5 Ų | 125.5 | 49% | 0.488 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -76.1 | -38 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D464 | D464-A467 PolarHBondContact O-N 2.99Å |
| 468 | L | 62.4 | Low | 62.4 | Low | 86 Ų | 86 | 130.6 Ų | 130.6 | 45% | 0.45 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70.2 | -37.2 | 174.7 | -87.6 | 148.2 | 0 | 0 | 0 | 113.4 | D464 K470 T471 F474 | D464-L468 PolarHBondContact O-N 2.87Å; D464-L468 VanDerWaalsContact O-N 3.14Å; L468-K470 VanDerWaalsContact C-N 3.29Å; L468-K470 PolarHBondContact O-N 3.41Å; L468-T471 PolarHBondContact O-N 2.77Å; L468-T471 PolarHBondContact O-OG1 3.27Å; L468-F474 HydrophobicContact CD2-CE2 4.5Å |
| 469 | K | 64.3 | Low | 62.7 | Low | 164 Ų | 164 | 133.1 Ų | 133.1 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -22.5 | 176 | -89.1 | 178.5 | 177.1 | 173.7 | 0 | 115 | L465 | L465-K469 WeakPolarHBondContact O-CB 3.38Å; L465-K469 WeakPolarHBondContact O-CG 3.25Å; L465-K469 PolarHBondContact O-N 3.35Å |
| 470 | K | 66.6 | Low | 63 | Low | 182 Ų | 182 | 133.6 Ų | 133.6 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -3.5 | 179 | -77.4 | 176.1 | 179.6 | 171.7 | 0 | 113.7 | L468 | L468-K470 VanDerWaalsContact C-N 3.29Å; L468-K470 PolarHBondContact O-N 3.41Å |
| 471 | T | 63.6 | Low | 63.1 | Low | 60 Ų | 60 | 135 Ų | 135 | 37% | 0.368 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -89 | 129.4 | 175.3 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | L468 R473 | L468-T471 PolarHBondContact O-N 2.77Å; L468-T471 PolarHBondContact O-OG1 3.27Å; T471-R473 PolarHBondContact O-N 3.49Å |
| 472 | K | 68 | Low | 63.6 | Low | 203 Ų | 203 | 130.3 Ų | 130.3 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 25.1 | 176.5 | -66 | -174.6 | 176.6 | -175.7 | 0 | 113.6 | ||
| 473 | R | 68.6 | Low | 63.7 | Low | 213 Ų | 213 | 131.1 Ų | 131.1 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -12.1 | -174.6 | -76.3 | -178 | 164.1 | -166.2 | -4.3 | 113.9 | T471 | T471-R473 PolarHBondContact O-N 3.49Š|
| 474 | F | 61.7 | Low | 63.9 | Low | 161 Ų | 161 | 129.1 Ų | 129.1 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -130.7 | 23 | -171 | -60.5 | -72.2 | 0 | 0 | 0 | 114.9 | L468 | L468-F474 HydrophobicContact CD2-CE2 4.5Š|
| 475 | V | 62.7 | Low | 64.3 | Low | 100 Ų | 100 | 131.6 Ų | 131.6 | 61% | 0.606 | 67% | 0.668 | S | S | * | * | trans | -96.6 | 115.7 | 172.4 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 476 | P | 62.2 | Low | 64.4 | Low | 96 Ų | 96 | 131.7 Ų | 131.7 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | trans | -67.1 | 137.5 | 174.4 | -16.3 | 30 | 0 | 0 | 0 | 110.9 | R478 | P476-R478 PolarHBondContact O-N 3.31Š| ||
| 477 | D | 67.5 | Low | 64.2 | Low | 174 Ų | 174 | 135.9 Ų | 135.9 | 93% | 0.93 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -66.9 | 3.5 | -177.8 | -69.7 | -32.2 | 0 | 0 | 0 | 114.9 | ||
| 478 | R | 68.3 | Low | 63.8 | Low | 233 Ų | 233 | 145 Ų | 145 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | -153.6 | 107.6 | -176.1 | -157.6 | 166.9 | 161.4 | 142.1 | -4 | 112.2 | P476 | P476-R478 PolarHBondContact O-N 3.31Š| ||
| 479 | E | 66.2 | Low | 63.4 | Low | 129 Ų | 129 | 148.9 Ų | 148.9 | 60% | 0.603 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 153.9 | 178.3 | -63.1 | 175.2 | -176.6 | 0 | 0 | 111.7 | ||
| 480 | F | 63.4 | Low | 63 | Low | 172 Ų | 172 | 149.3 Ų | 149.3 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 134.1 | -178.5 | -176.3 | -98.8 | 0 | 0 | 0 | 110.9 | G482 T483 | F480-G482 PolarHBondContact O-N 3.31Å; F480-G482 VanDerWaalsContact O-N 3.13Å; F480-T483 PolarHBondContact O-N 3.29Å; F480-T483 PolarHBondContact O-OG1 3.43Å; F480-T483 VanDerWaalsContact O-OG1 3.09Å |
| 481 | S | 65.7 | Low | 63.1 | Low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 116 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 482 | G | 66.2 | Low | 63.3 | Low | 81 Ų | 81 | 146.1 Ų | 146.1 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.4 | -9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F480 | F480-G482 PolarHBondContact O-N 3.31Å; F480-G482 VanDerWaalsContact O-N 3.13Å |
| 483 | T | 57.4 | Low | 63.1 | Low | 74 Ų | 74 | 141.6 Ų | 141.6 | 45% | 0.454 | 73% | 0.733 | S | S | . | * | trans | -100.9 | 80.5 | 174.9 | 52.2 | 0 | 0 | 0 | 0 | 111 | F480 H485 | F480-T483 PolarHBondContact O-N 3.29Å; F480-T483 PolarHBondContact O-OG1 3.43Å; F480-T483 VanDerWaalsContact O-OG1 3.09Å; T483-H485 PolarHBondContact O-N 3.24Å | ||
| 484 | D | 60.1 | Low | 62.6 | Low | 110 Ų | 110 | 140.6 Ų | 140.6 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | trans | -87.5 | 104.8 | 173.5 | -158.9 | -17.7 | 0 | 0 | 0 | 109.5 | S486 | D484-S486 VanDerWaalsContact CG-OG 3.24Å; D484-S486 PolarHBondContact O-N 2.71Å; D484-S486 PolarHBondContact OD1-OG 3.26Å | ||
| 485 | H | 65.6 | Low | 62.2 | Low | 159 Ų | 159 | 141.4 Ų | 141.4 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 1.7 | -177.2 | -72.1 | -32.2 | 0 | 0 | 0 | 114.5 | T483 | T483-H485 PolarHBondContact O-N 3.24Š|
| 486 | S | 64.8 | Low | 61.9 | Low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -9.5 | 178.9 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | D484 | D484-S486 VanDerWaalsContact CG-OG 3.24Å; D484-S486 PolarHBondContact O-N 2.71Å; D484-S486 PolarHBondContact OD1-OG 3.26Å |
| 487 | R | 57.6 | Low | 61.4 | Low | 201 Ų | 201 | 151.5 Ų | 151.5 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -107.8 | 109.7 | -177.8 | -63.7 | -174 | -176.2 | -171.1 | 1.1 | 112.4 | L489 | R487-L489 PolarHBondContact O-N 3.14Š| ||
| 488 | R | 57.9 | Low | 60.6 | Low | 251 Ų | 251 | 150.2 Ų | 150.2 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -70.5 | 105.2 | 167.6 | -71 | -178.4 | 173.8 | -177.5 | -2.1 | 109.1 | D490 | R488-D490 PolarHBondContact O-N 3.42Š| ||
| 489 | L | 53.4 | Low | 59.6 | Low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -83.4 | 97.5 | 171.8 | -81.5 | 156.1 | 0 | 0 | 0 | 109 | R487 | R487-L489 PolarHBondContact O-N 3.14Š| ||
| 490 | D | 55.3 | Low | 58.9 | Low | 173 Ų | 173 | 150.4 Ų | 150.4 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | trans | -107.7 | 97.8 | 169.5 | -151.8 | 9.2 | 0 | 0 | 0 | 107.9 | R488 | R488-D490 PolarHBondContact O-N 3.42Š| ||
| 491 | G | 69.9 | Low | 59 | Low | 51 Ų | 51 | 145.7 Ų | 145.7 | 53% | 0.526 | 75% | 0.75 | S | S | . | * | S | Bend | trans | 149.8 | 140 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 492 | P | 67.4 | Low | 59.2 | Low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -62.7 | 140.7 | 175.1 | 27.3 | -31.5 | 0 | 0 | 0 | 109.8 | Q494 | P492-Q494 PolarHBondContact O-N 3.39Š|
| 493 | V | 62.8 | Low | 59.2 | Low | 109 Ų | 109 | 149.6 Ų | 149.6 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | trans | -37.5 | 108.7 | -178.4 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | F495 | V493-F495 HydrophobicContact CB-CE2 4.18Å; V493-F495 HydrophobicContact CB-CZ 4.31Å; V493-F495 HydrophobicContact CG1-CD1 4.25Å; V493-F495 HydrophobicContact CG1-CD2 4.22Å; V493-F495 HydrophobicContact CG1-CE1 3.92Å; V493-F495 HydrophobicContact CG1-CE2 3.89Å; V493-F495 HydrophobicContact CG1-CG 4.4Å; V493-F495 HydrophobicContact CG1-CZ 3.73Å; V493-F495 WeakPolarHBondContact O-CD2 3.43Å; V493-F495 PolarHBondContact O-N 3.22Å | ||
| 494 | Q | 59.1 | Low | 59.6 | Low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | trans | -73.4 | 107.6 | 168.4 | -71.1 | -175.9 | -19.8 | 0 | 0 | 107.1 | P492 E496 | P492-Q494 PolarHBondContact O-N 3.39Å; Q494-E496 PolarHBondContact O-N 3.06Å | ||
| 495 | F | 53.1 | Low | 60.1 | Low | 178 Ų | 178 | 150.7 Ų | 150.7 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -78 | 115.1 | 168.1 | -65.1 | -82.2 | 0 | 0 | 0 | 107.7 | V493 R497 | V493-F495 HydrophobicContact CB-CE2 4.18Å; V493-F495 HydrophobicContact CB-CZ 4.31Å; V493-F495 HydrophobicContact CG1-CD1 4.25Å; V493-F495 HydrophobicContact CG1-CD2 4.22Å; V493-F495 HydrophobicContact CG1-CE1 3.92Å; V493-F495 HydrophobicContact CG1-CE2 3.89Å; V493-F495 HydrophobicContact CG1-CG 4.4Å; V493-F495 HydrophobicContact CG1-CZ 3.73Å; V493-F495 WeakPolarHBondContact O-CD2 3.43Å; V493-F495 PolarHBondContact O-N 3.22Å; F495-R497 PolarHBondContact O-N 3.49Å; F495-R497 VanDerWaalsContact O-N 3.17Å | ||
| 496 | E | 56.2 | Low | 60.2 | Low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | trans | -60 | 115.5 | 162.2 | -74.1 | 177.7 | 160.6 | 0 | 0 | 107.1 | Q494 D498 | Q494-E496 PolarHBondContact O-N 3.06Å; E496-D498 VanDerWaalsContact C-N 3.33Å; E496-D498 PolarHBondContact O-N 3.23Å; E496-D498 VanDerWaalsContact O-N 3.09Å | ||
| 497 | R | 51.8 | Low | 60.4 | Low | 230 Ų | 230 | 148.8 Ų | 148.8 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | trans | -81.3 | 88.4 | 178.6 | -169.2 | -176.8 | -159.4 | 172.4 | 6.1 | 106.7 | F495 E499 | F495-R497 PolarHBondContact O-N 3.49Å; F495-R497 VanDerWaalsContact O-N 3.17Å; R497-E499 PolarHBondContact O-N 3.49Å | ||
| 498 | D | 51.1 | Low | 61.1 | Low | 147 Ų | 147 | 146.2 Ų | 146.2 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | -54 | 131.7 | 168.2 | -74.8 | -29.9 | 0 | 0 | 0 | 109.4 | E496 | E496-D498 VanDerWaalsContact C-N 3.33Å; E496-D498 PolarHBondContact O-N 3.23Å; E496-D498 VanDerWaalsContact O-N 3.09Å | ||
| 499 | E | 46.3 | Very low | 61.8 | Low | 182 Ų | 182 | 139.8 Ų | 139.8 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -64.3 | 152.5 | -175.6 | -64.5 | 172.4 | 145.3 | 0 | 0 | 110.4 | R497 | R497-E499 PolarHBondContact O-N 3.49Š|
| 500 | E | 53 | Low | 62.7 | Low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | 89.4 | 93.7 | 177.3 | -50.7 | -179 | 170.5 | 0 | 0 | 115.3 | P502 | E500-P502 WeakPolarHBondContact O-CD 3.47Š| ||
| 501 | D | 64.5 | Low | 63.2 | Low | 73 Ų | 73 | 134.8 Ų | 134.8 | 39% | 0.39 | 68% | 0.68 | S | S | . | * | trans | -83 | 95.6 | 162.5 | 172.1 | 10 | 0 | 0 | 0 | 108.2 | F503 N504 L505 S506 | D501-F503 PolarHBondContact O-N 3.08Å; D501-F503 PolarHBondContact OD1-N 3.46Å; D501-N504 PolarHBondContact O-N 3.27Å; D501-L505 PolarHBondContact OD2-N 3.04Å; D501-S506 PolarHBondContact OD2-OG 3.06Å; D501-S506 VanDerWaalsContact OD2-OG 3.06Å | ||
| 502 | P | 69.4 | Low | 63 | Low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -11 | -172.7 | 22.7 | -33.8 | 0 | 0 | 0 | 114.2 | E500 | E500-P502 WeakPolarHBondContact O-CD 3.47Š|
| 503 | F | 65.9 | Low | 63 | Low | 161 Ų | 161 | 140.4 Ų | 140.4 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 3.5 | -174.6 | -69 | -76.8 | 0 | 0 | 0 | 114.3 | D501 L505 | D501-F503 PolarHBondContact O-N 3.08Å; D501-F503 PolarHBondContact OD1-N 3.46Å; F503-L505 HydrophobicContact CB-CD1 3.69Å; F503-L505 HydrophobicContact CB-CG 4.16Å; F503-L505 PolarHBondContact O-N 3.03Å |
| 504 | N | 65.9 | Low | 62.9 | Low | 106 Ų | 106 | 144.2 Ų | 144.2 | 57% | 0.567 | 69% | 0.693 | S | S | * | * | trans | 50.8 | 21.9 | 174.9 | -94 | -21.8 | 0 | 0 | 0 | 114.7 | D501 S506 K507 | D501-N504 PolarHBondContact O-N 3.27Å; N504-S506 PolarHBondContact O-N 3.49Å; N504-K507 PolarHBondContact O-N 2.71Å; N504-K507 VanDerWaalsContact O-N 3.1Å | ||
| 505 | L | 70.6 | Confident | 62.3 | Low | 100 Ų | 100 | 139.4 Ų | 139.4 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.2 | -29.7 | -174.4 | -83.5 | 151.9 | 0 | 0 | 0 | 111.5 | D501 F503 K507 F508 L509 | D501-L505 PolarHBondContact OD2-N 3.04Å; F503-L505 HydrophobicContact CB-CD1 3.69Å; F503-L505 HydrophobicContact CB-CG 4.16Å; F503-L505 PolarHBondContact O-N 3.03Å; L505-K507 PolarHBondContact O-N 3.4Å; L505-F508 PolarHBondContact O-N 3.1Å; L505-L509 PolarHBondContact O-N 3.15Å; L505-L509 VanDerWaalsContact O-N 3.13Å |
| 506 | S | 68.9 | Low | 62.2 | Low | 67 Ų | 67 | 140.3 Ų | 140.3 | 47% | 0.469 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -63.7 | -32.3 | 175.3 | 51 | 0 | 0 | 0 | 0 | 114.2 | D501 N504 S510 | D501-S506 PolarHBondContact OD2-OG 3.06Å; D501-S506 VanDerWaalsContact OD2-OG 3.06Å; N504-S506 PolarHBondContact O-N 3.49Å; S506-S510 PolarHBondContact O-N 3.22Å; S506-S510 PolarHBondContact O-OG 3.41Å |
| 507 | K | 69.1 | Low | 61.7 | Low | 141 Ų | 141 | 141.7 Ų | 141.7 | 61% | 0.613 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -78.2 | -28.3 | 174.1 | -95.5 | 177.9 | -179.2 | 168.3 | 0 | 113.1 | N504 L505 S510 K511 | N504-K507 PolarHBondContact O-N 2.71Å; N504-K507 VanDerWaalsContact O-N 3.1Å; L505-K507 PolarHBondContact O-N 3.4Å; K507-S510 PolarHBondContact O-OG 2.88Å; K507-K511 PolarHBondContact O-N 3.31Å |
| 508 | F | 71.7 | Confident | 61.5 | Low | 147 Ų | 147 | 142.3 Ų | 142.3 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.7 | -45.3 | 177.3 | -173.2 | -101.1 | 0 | 0 | 0 | 111.2 | L505 S510 K511 V512 | L505-F508 PolarHBondContact O-N 3.1Å; F508-S510 VanDerWaalsContact C-N 3.33Å; F508-S510 PolarHBondContact O-N 3.21Å; F508-K511 PolarHBondContact O-N 2.76Å; F508-V512 HydrophobicContact CE1-CG2 4.46Å; F508-V512 PolarHBondContact O-N 3.4Å |
| 509 | L | 72.6 | Confident | 61.1 | Low | 117 Ų | 117 | 141.4 Ų | 141.4 | 61% | 0.613 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.5 | -28 | -179.6 | -73.5 | 165.9 | 0 | 0 | 0 | 113.7 | L505 K513 | L505-L509 PolarHBondContact O-N 3.15Å; L505-L509 VanDerWaalsContact O-N 3.13Å; L509-K513 PolarHBondContact O-N 3.05Å |
| 510 | S | 71.9 | Confident | 60.9 | Low | 64 Ų | 64 | 136.6 Ų | 136.6 | 45% | 0.448 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -79.3 | -24.7 | 176.9 | 51.8 | 0 | 0 | 0 | 0 | 114 | S506 K507 F508 | S506-S510 PolarHBondContact O-N 3.22Å; S506-S510 PolarHBondContact O-OG 3.41Å; K507-S510 PolarHBondContact O-OG 2.88Å; F508-S510 VanDerWaalsContact C-N 3.33Å; F508-S510 PolarHBondContact O-N 3.21Å |
| 511 | K | 66.8 | Low | 60.3 | Low | 170 Ų | 170 | 137.7 Ų | 137.7 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77.7 | -31.2 | 173.7 | -79.4 | -177.9 | 177.8 | 178.9 | 0 | 113 | K507 F508 | K507-K511 PolarHBondContact O-N 3.31Å; F508-K511 PolarHBondContact O-N 2.76Å |
| 512 | V | 65.4 | Low | 59.2 | Low | 101 Ų | 101 | 137.4 Ų | 137.4 | 61% | 0.612 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -74.7 | -28 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | F508 | F508-V512 HydrophobicContact CE1-CG2 4.46Å; F508-V512 PolarHBondContact O-N 3.4Å |
| 513 | K | 67 | Low | 57.7 | Low | 193 Ų | 193 | 138.7 Ų | 138.7 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -5.3 | -177.8 | -157 | 170.5 | 178.8 | 178.2 | 0 | 114.8 | L509 | L509-K513 PolarHBondContact O-N 3.05Š|
| 514 | K | 61.6 | Low | 56.6 | Low | 188 Ų | 188 | 136.8 Ų | 136.8 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 7 | -175.4 | -102.3 | -177.4 | 177.8 | -178 | 0 | 115.7 | E516 | K514-E516 PolarHBondContact O-N 3.49Š|
| 515 | A | 46.1 | Very low | 55.3 | Low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -94.2 | 96.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 516 | E | 50.4 | Low | 53.8 | Low | 196 Ų | 196 | 136.1 Ų | 136.1 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 160.9 | 179.6 | -97.6 | -178.4 | 148.8 | 0 | 0 | 114.7 | K514 | K514-E516 PolarHBondContact O-N 3.49Š|
| 517 | K | 45.3 | Very low | 52.3 | Low | 209 Ų | 209 | 139.1 Ų | 139.1 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71 | 147.7 | -169.2 | -68 | 166.4 | 168.4 | 176.8 | 0 | 114.9 | ||
| 518 | R | 48.5 | Very low | 51 | Low | 243 Ų | 243 | 139.4 Ų | 139.4 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 167.6 | 171.1 | -67.9 | 174.5 | 158.6 | 156.5 | -6.6 | 113.4 | ||
| 519 | P | 41.6 | Very low | 49.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -119.5 | 160.5 | 146 | 32.9 | -18.3 | 0 | 0 | 0 | 114 | ||||
| 520 | G | 42.7 | Very low | 48 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -63.9 | -178.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 521 | E | 41.1 | Very low | 46.6 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 97% | 0.967 | 81% | 0.808 | S | S | * | * | cis | -170.5 | 158.2 | 44.2 | -178 | 174.8 | -172.3 | 0 | 0 | 108.8 | ||||
| 522 | G | 40.8 | Very low | 45.6 | Very low | 67 Ų | 67 | 147 Ų | 147 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 141.5 | 77.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 523 | T | 37.3 | Very low | 44.4 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 5.4 | 124.4 | 147.1 | 45.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 524 | S | 42.8 | Very low | 43.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | 151.9 | 134.8 | 112.2 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 525 | G | 38.5 | Very low | 42.6 | Very low | 65 Ų | 65 | 143.7 Ų | 143.7 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | 96.3 | 108.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 526 | T | 38.7 | Very low | 42.5 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | 79.5 | 92.9 | 133.6 | 25.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 527 | D | 38.7 | Very low | 42.3 | Very low | 130 Ų | 130 | 151 Ų | 151 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | 57.2 | 115.5 | 103.8 | -65.8 | -30.7 | 0 | 0 | 0 | 121.4 | |||||
| 528 | I | 40.5 | Very low | 42.4 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | 68.3 | 107.7 | 125.7 | -50.7 | 162.8 | 0 | 0 | 0 | 117.4 | |||||
| 529 | S | 43.8 | Very low | 42.7 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | 167 | 96.6 | 106.7 | 44.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 530 | N | 38.7 | Very low | 42.7 | Very low | 173 Ų | 173 | 153.4 Ų | 153.4 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -95 | 107.7 | 143.1 | -95.6 | -17.1 | 0 | 0 | 0 | 106.1 | ||||
| 531 | R | 41.3 | Very low | 43.3 | Very low | 237 Ų | 237 | 158.2 Ų | 158.2 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -149.2 | 92.9 | 161.3 | -153.7 | 171.7 | -175.9 | 158.1 | 3.4 | 110.6 | ||||
| 532 | D | 45.9 | Very low | 43.7 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | trans | -54.6 | 132.7 | 155.8 | -98.5 | -38.6 | 0 | 0 | 0 | 110.8 | ||||
| 533 | T | 41.5 | Very low | 43.9 | Very low | 107 Ų | 107 | 163.4 Ų | 163.4 | 66% | 0.656 | 83% | 0.826 | S | S | * | * | trans | 66.4 | 136.5 | 142.2 | 68.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 534 | T | 46.2 | Very low | 44.2 | Very low | 123 Ų | 123 | 164.8 Ų | 164.8 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | 95.7 | 107.6 | 158.1 | 75.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 535 | H | 44.8 | Very low | 44.3 | Very low | 182 Ų | 182 | 167.2 Ų | 167.2 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 49.4 | 121.2 | 136.3 | -71 | -60.1 | 0 | 0 | 0 | 122.1 | ||||
| 536 | R | 43 | Very low | 44.6 | Very low | 247 Ų | 247 | 173.2 Ų | 173.2 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | -163.3 | 95.5 | 138.5 | -102.4 | 162.1 | -168.8 | -172.8 | 2.7 | 109.8 | ||||
| 537 | K | 46.5 | Very low | 45 | Very low | 193 Ų | 193 | 176.1 Ų | 176.1 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | 8.2 | 109.8 | 106.7 | -101.4 | 178.4 | 171.8 | 177.8 | 0 | 113 | |||||
| 538 | R | 46.7 | Very low | 45.4 | Very low | 222 Ų | 222 | 179.1 Ų | 179.1 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | 45 | 110 | 101.3 | -71.7 | -173.8 | -174.2 | 171.3 | 2.3 | 111.9 | |||||
| 539 | D | 55.2 | Low | 45.8 | Very low | 165 Ų | 165 | 181.5 Ų | 181.5 | 88% | 0.882 | 85% | 0.853 | S | S | * | * | -166 | 141.3 | 108.2 | -86.6 | -31.1 | 0 | 0 | 0 | 112.5 | |||||
| 540 | R | 42.4 | Very low | 45.9 | Very low | 243 Ų | 243 | 187.2 Ų | 187.2 | 92% | 0.917 | 86% | 0.861 | S | S | * | * | trans | -77 | 140.1 | 162.4 | -77.7 | 171.4 | 165.6 | 160.3 | -5.8 | 107.7 | ||||
| 541 | K | 55 | Low | 46.5 | Very low | 182 Ų | 182 | 188.4 Ų | 188.4 | 79% | 0.791 | 86% | 0.856 | S | S | * | * | trans | -165.9 | 134.7 | 135.9 | -127.8 | -178.2 | 170.3 | -176.3 | 0 | 111.4 | ||||
| 542 | D | 50 | Low | 47 | Very low | 219 Ų | 219 | 184 Ų | 184 | 100% | 1.171 | 85% | 0.853 | S | S | * | * | trans | 68.8 | 0 | 163.4 | -51.5 | -32 | 0 | 0 | 0 | 119.1 |
Retrieved 542 of 542 residues in 422.3 ms
(Link to these results)