| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 44.4 | Very low | 227 Ų | 227 | 170.9 Ų | 170.9 | 100% | 1.118 | 87% | 0.872 | S | S | * | * | 0 | 94.8 | 0 | -89.8 | 172.5 | 172 | 0 | 0 | 106.9 | |||||
| 2 | E | 39.2 | Very low | 45.5 | Very low | 201 Ų | 201 | 165.5 Ų | 165.5 | 94% | 0.939 | 86% | 0.857 | S | S | * | * | trans | -100.3 | 126.4 | 170.1 | -71.2 | -156.8 | 150.2 | 0 | 0 | 108.5 | ||||
| 3 | Y | 40.1 | Very low | 46.5 | Very low | 216 Ų | 216 | 160.2 Ų | 160.2 | 85% | 0.847 | 84% | 0.839 | S | S | * | * | trans | -85.7 | 128 | 178.6 | -80.1 | -92.2 | 0 | 0 | 0 | 109.7 | ||||
| 4 | F | 37.1 | Very low | 46.9 | Very low | 189 Ų | 189 | 159.7 Ų | 159.7 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | trans | -89.5 | 115 | 174.4 | -154.2 | -95 | 0 | 0 | 0 | 109.1 | V6 | F4-V6 HydrophobicContact CD1-CG2 3.82Å; F4-V6 HydrophobicContact CE1-CG2 4.11Å | ||
| 5 | M | 48.8 | Very low | 47.3 | Very low | 180 Ų | 180 | 160 Ų | 160 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -92.3 | 115.7 | 169.7 | -98.3 | 177.2 | 55.2 | 0 | 0 | 109.6 | ||||
| 6 | V | 44.3 | Very low | 47.2 | Very low | 124 Ų | 124 | 159.1 Ų | 159.1 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 125.6 | 173 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | F4 | F4-V6 HydrophobicContact CD1-CG2 3.82Å; F4-V6 HydrophobicContact CE1-CG2 4.11Å |
| 7 | S | 45.2 | Very low | 47.1 | Very low | 113 Ų | 113 | 159.2 Ų | 159.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 126.8 | 176.6 | -44.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 8 | A | 48.3 | Very low | 47.3 | Very low | 104 Ų | 104 | 161.4 Ų | 161.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 123.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 9 | Q | 43.6 | Very low | 47.5 | Very low | 191 Ų | 191 | 161.3 Ų | 161.3 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.2 | 175.9 | -163.7 | 173.2 | -3 | 0 | 0 | 110.4 | V11 | Q9-V11 PolarHBondContact O-N 3.11Š|
| 10 | K | 48.9 | Very low | 47.7 | Very low | 204 Ų | 204 | 157 Ų | 157 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -77 | 115 | -174.6 | -149.3 | 176.8 | -172.9 | -178.9 | 0 | 110.3 | ||||
| 11 | V | 52.4 | Low | 47.8 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.8 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | Q9 | Q9-V11 PolarHBondContact O-N 3.11Š|
| 12 | P | 57.9 | Low | 48.2 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 150.6 | 177.4 | 1.4 | 10.6 | 0 | 0 | 0 | 112.1 | ||
| 13 | P | 57.6 | Low | 48.8 | Very low | 97 Ų | 97 | 150.6 Ų | 150.6 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139.3 | -172.5 | 28.4 | -32.6 | 0 | 0 | 0 | 113.2 | Q15 H16 | P13-Q15 PolarHBondContact O-N 3.04Å; P13-H16 PolarHBondContact O-N 3.29Å |
| 14 | L | 52.9 | Low | 49.5 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | -10.7 | 179.7 | -96.9 | 149.3 | 0 | 0 | 0 | 116.6 | H16 | L14-H16 VanDerWaalsContact C-N 3.34Š|
| 15 | Q | 53.1 | Low | 50.2 | Low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -74.5 | -20.6 | 178.4 | -69.1 | -166.4 | -13.8 | 0 | 0 | 113.8 | P13 | P13-Q15 PolarHBondContact O-N 3.04Å |
| 16 | H | 45.6 | Very low | 50.1 | Low | 146 Ų | 146 | 134.1 Ų | 134.1 | 68% | 0.676 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.4 | -31.5 | 177.1 | -104.2 | 54.6 | 0 | 0 | 0 | 113.2 | P13 L14 T20 | P13-H16 PolarHBondContact O-N 3.29Å; L14-H16 VanDerWaalsContact C-N 3.34Å; H16-T20 PolarHBondContact O-OG1 2.98Å |
| 17 | F | 45.3 | Very low | 50.5 | Low | 160 Ų | 160 | 130 Ų | 130 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.1 | -35.6 | -179.2 | -96.8 | -90.6 | 0 | 0 | 0 | 113.3 | K19 T20 E21 | F17-K19 PolarHBondContact O-N 3.48Å; F17-T20 PolarHBondContact O-N 3.32Å; F17-T20 PolarHBondContact O-OG1 2.94Å; F17-E21 PolarHBondContact O-N 3.47Å |
| 18 | R | 50.5 | Low | 50.9 | Low | 200 Ų | 200 | 130.4 Ų | 130.4 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.8 | -17.6 | -179.3 | -72.1 | -149 | 176.9 | -172 | 0.6 | 114.8 | ||
| 19 | K | 50.4 | Low | 50.9 | Low | 158 Ų | 158 | 130.4 Ų | 130.4 | 69% | 0.687 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78.6 | -36.9 | 172.7 | -83.8 | -178 | 175.6 | -179.3 | 0 | 111.5 | F17 K22 E23 | F17-K19 PolarHBondContact O-N 3.48Å; K19-K22 PolarHBondContact O-N 3.46Å; K19-E23 PolarHBondContact O-N 3.26Å |
| 20 | T | 52.3 | Low | 51.2 | Low | 76 Ų | 76 | 124.9 Ų | 124.9 | 47% | 0.466 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.4 | -39.7 | -180 | 2.5 | 0 | 0 | 0 | 0 | 112.3 | H16 F17 K22 E23 V24 | H16-T20 PolarHBondContact O-OG1 2.98Å; F17-T20 PolarHBondContact O-N 3.32Å; F17-T20 PolarHBondContact O-OG1 2.94Å; T20-K22 PolarHBondContact O-N 3.32Å; T20-E23 PolarHBondContact O-N 3.05Å; T20-V24 WeakPolarHBondContact O-CB 3.32Å; T20-V24 WeakPolarHBondContact O-CG2 3.45Å; T20-V24 PolarHBondContact O-N 3.43Å |
| 21 | E | 50.3 | Low | 51.5 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.4 | -35.8 | 175.3 | -84.1 | -174.8 | 144.2 | 0 | 0 | 113.2 | F17 V24 I25 | F17-E21 PolarHBondContact O-N 3.47Å; E21-V24 PolarHBondContact O-N 2.99Å; E21-I25 HydrophobicContact CB-CD1 4.49Å; E21-I25 WeakPolarHBondContact O-CB 3.49Å; E21-I25 VanDerWaalsContact O-CG1 3.28Å; E21-I25 WeakPolarHBondContact O-CG1 3.36Å; E21-I25 PolarHBondContact O-N 3.32Å |
| 22 | K | 48.6 | Very low | 51.5 | Low | 174 Ų | 174 | 118.9 Ų | 118.9 | 76% | 0.757 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69 | -32.6 | 178.3 | -81.5 | -172.8 | 173.4 | -172.6 | 0 | 112.9 | K19 T20 G26 | K19-K22 PolarHBondContact O-N 3.46Å; T20-K22 PolarHBondContact O-N 3.32Å; K22-G26 PolarHBondContact O-N 3.39Å |
| 23 | E | 52.1 | Low | 51.2 | Low | 153 Ų | 153 | 121.2 Ų | 121.2 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.1 | -36.8 | 173.4 | -75.4 | -180 | 167.4 | 0 | 0 | 112.3 | K19 T20 G27 | K19-E23 PolarHBondContact O-N 3.26Å; T20-E23 PolarHBondContact O-N 3.05Å; E23-G27 PolarHBondContact O-N 2.93Å |
| 24 | V | 55 | Low | 51.2 | Low | 92 Ų | 92 | 121.9 Ų | 121.9 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.7 | -41.2 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | T20 E21 L28 | T20-V24 WeakPolarHBondContact O-CB 3.32Å; T20-V24 WeakPolarHBondContact O-CG2 3.45Å; T20-V24 PolarHBondContact O-N 3.43Å; E21-V24 PolarHBondContact O-N 2.99Å; V24-L28 WeakPolarHBondContact O-CG 3.48Å |
| 25 | I | 51.8 | Low | 51.2 | Low | 108 Ų | 108 | 120 Ų | 120 | 55% | 0.554 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.5 | -36.9 | 179.1 | -63.3 | 168 | 0 | 0 | 0 | 111.1 | E21 G27 L28 | E21-I25 HydrophobicContact CB-CD1 4.49Å; E21-I25 WeakPolarHBondContact O-CB 3.49Å; E21-I25 VanDerWaalsContact O-CG1 3.28Å; E21-I25 WeakPolarHBondContact O-CG1 3.36Å; E21-I25 PolarHBondContact O-N 3.32Å; I25-G27 VanDerWaalsContact C-N 3.3Å; I25-G27 PolarHBondContact O-N 3.17Å; I25-L28 PolarHBondContact O-N 3.05Å |
| 26 | G | 47 | Very low | 51.4 | Low | 39 Ų | 39 | 116.4 Ų | 116.4 | 40% | 0.402 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.3 | -27.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K22 S30 | K22-G26 PolarHBondContact O-N 3.39Å; G26-S30 PolarHBondContact O-OG 3.38Å |
| 27 | G | 51.7 | Low | 52.2 | Low | 38 Ų | 38 | 113.3 Ų | 113.3 | 39% | 0.392 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.1 | -30.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E23 I25 | E23-G27 PolarHBondContact O-N 2.93Å; I25-G27 VanDerWaalsContact C-N 3.3Å; I25-G27 PolarHBondContact O-N 3.17Å |
| 28 | L | 53.3 | Low | 53.3 | Low | 120 Ų | 120 | 110.2 Ų | 110.2 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.6 | -35 | -176.2 | -69.5 | 170.1 | 0 | 0 | 0 | 113 | V24 I25 | V24-L28 WeakPolarHBondContact O-CG 3.48Å; I25-L28 PolarHBondContact O-N 3.05Å |
| 29 | C | 48 | Very low | 54 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 70% | 0.703 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80.1 | -20.1 | 177 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | L31 | C29-L31 VanDerWaalsContact C-N 3.3Å; C29-L31 PolarHBondContact O-N 3.47Å |
| 30 | S | 50.6 | Low | 55.2 | Low | 75 Ų | 75 | 101.4 Ų | 101.4 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -77.1 | -14.5 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | G26 I34 | G26-S30 PolarHBondContact O-OG 3.38Å; S30-I34 WeakPolarHBondContact O-CD1 3.44Å; S30-I34 VanDerWaalsContact O-CG1 3.24Å; S30-I34 WeakPolarHBondContact O-CG1 3.37Å |
| 31 | L | 54.7 | Low | 56.5 | Low | 133 Ų | 133 | 99.8 Ų | 99.8 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -81.4 | -11.3 | 179 | -74.1 | 165.2 | 0 | 0 | 0 | 114.2 | C29 | C29-L31 VanDerWaalsContact C-N 3.3Å; C29-L31 PolarHBondContact O-N 3.47Å |
| 32 | A | 53.2 | Low | 58.2 | Low | 76 Ų | 76 | 101.4 Ų | 101.4 | 63% | 0.628 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -86.6 | -13 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 33 | N | 51.5 | Low | 60.1 | Low | 156 Ų | 156 | 96.7 Ų | 96.7 | 83% | 0.834 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -151.5 | 38.5 | -174.7 | -83.3 | -35.1 | 0 | 0 | 0 | 113.8 | ||
| 34 | I | 58.5 | Low | 62 | Low | 111 Ų | 111 | 94.3 Ų | 94.3 | 57% | 0.569 | 55% | 0.548 | S | S | * | . | trans | -86.2 | 124.8 | 165.5 | -63 | 161.7 | 0 | 0 | 0 | 106.7 | S30 L36 | S30-I34 WeakPolarHBondContact O-CD1 3.44Å; S30-I34 VanDerWaalsContact O-CG1 3.24Å; S30-I34 WeakPolarHBondContact O-CG1 3.37Å; I34-L36 PolarHBondContact O-N 2.99Å | ||
| 35 | P | 52.3 | Low | 63.9 | Low | 112 Ų | 112 | 93.9 Ų | 93.9 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | trans | -53.8 | 113.2 | 169 | -18.9 | 29.6 | 0 | 0 | 0 | 107.3 | T37 | P35-T37 PolarHBondContact O-N 3.23Š| ||
| 36 | L | 56 | Low | 66 | Low | 90 Ų | 90 | 94.8 Ų | 94.8 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | trans | -53.3 | 107.9 | 173.3 | -77.9 | 155.2 | 0 | 0 | 0 | 106.2 | I34 T40 A41 | I34-L36 PolarHBondContact O-N 2.99Å; L36-T40 WeakPolarHBondContact CA-OG1 3.37Å; L36-T40 WeakPolarHBondContact CD2-OG1 3.36Å; L36-A41 HydrophobicContact CB-CB 4.27Å | ||
| 37 | T | 62.3 | Low | 68.3 | Low | 80 Ų | 80 | 100.8 Ų | 100.8 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | trans | -55.4 | 140.3 | 166.6 | 53.5 | 0 | 0 | 0 | 0 | 106.2 | P35 E39 T40 A41 | P35-T37 PolarHBondContact O-N 3.23Å; T37-E39 CarbonylContact O-C 3.55Å; T37-E39 PolarHBondContact O-N 2.96Å; T37-T40 PolarHBondContact N-OG1 3.34Å; T37-T40 VanDerWaalsContact N-OG1 3.08Å; T37-T40 WeakPolarHBondContact O-CA 3.45Å; T37-T40 PolarHBondContact O-N 3.24Å; T37-T40 PolarHBondContact O-OG1 3.01Å; T37-T40 VanDerWaalsContact OG1-CG2 3.3Å; T37-T40 WeakPolarHBondContact OG1-CG2 3.15Å; T37-T40 PolarHBondContact OG1-OG1 3.44Å; T37-A41 PolarHBondContact O-N 3.1Å | ||
| 38 | P | 68.4 | Low | 70.5 | Confident | 96 Ų | 96 | 102.9 Ų | 102.9 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -54.1 | -24.4 | -174.5 | 14.8 | -28.1 | 0 | 0 | 0 | 113.4 | R42 | P38-R42 VanDerWaalsContact O-CG 3.32Å; P38-R42 WeakPolarHBondContact O-CG 3.39Å; P38-R42 PolarHBondContact O-N 3.35Å |
| 39 | E | 65.4 | Low | 72.6 | Confident | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 169.1 | -73.1 | -66.6 | 121.1 | 0 | 0 | 113.2 | T37 A41 R42 D43 | T37-E39 CarbonylContact O-C 3.55Å; T37-E39 PolarHBondContact O-N 2.96Å; E39-A41 PolarHBondContact O-N 3.4Å; E39-R42 PolarHBondContact O-N 3.48Å; E39-R42 IonicContact OE1-NH1 3.28Å; E39-R42 PolarHBondContact OE1-NH1 3.44Å; E39-D43 PolarHBondContact O-N 3.32Å |
| 40 | T | 75.9 | Confident | 74.9 | Confident | 56 Ų | 56 | 107.8 Ų | 107.8 | 34% | 0.344 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 177.8 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | L36 T37 D43 Q44 | L36-T40 WeakPolarHBondContact CA-OG1 3.37Å; L36-T40 WeakPolarHBondContact CD2-OG1 3.36Å; T37-T40 PolarHBondContact N-OG1 3.34Å; T37-T40 VanDerWaalsContact N-OG1 3.08Å; T37-T40 WeakPolarHBondContact O-CA 3.45Å; T37-T40 PolarHBondContact O-N 3.24Å; T37-T40 PolarHBondContact O-OG1 3.01Å; T37-T40 VanDerWaalsContact OG1-CG2 3.3Å; T37-T40 WeakPolarHBondContact OG1-CG2 3.15Å; T37-T40 PolarHBondContact OG1-OG1 3.44Å; T40-D43 PolarHBondContact O-N 2.92Å; T40-Q44 WeakPolarHBondContact O-CG 3.5Å; T40-Q44 PolarHBondContact O-N 2.86Å |
| 41 | A | 80.7 | Confident | 77.2 | Confident | 42 Ų | 42 | 109 Ų | 109 | 35% | 0.347 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L36 T37 E39 D43 Q44 E45 | L36-A41 HydrophobicContact CB-CB 4.27Å; T37-A41 PolarHBondContact O-N 3.1Å; E39-A41 PolarHBondContact O-N 3.4Å; A41-D43 VanDerWaalsContact C-N 3.32Å; A41-D43 PolarHBondContact O-N 2.96Å; A41-Q44 PolarHBondContact O-N 2.97Å; A41-E45 WeakPolarHBondContact O-CB 3.29Å; A41-E45 PolarHBondContact O-N 3.45Å |
| 42 | R | 84.7 | Confident | 79.2 | Confident | 158 Ų | 158 | 107.8 Ų | 107.8 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -37.2 | 173.6 | -74.1 | 173 | 176.8 | 167.6 | -2.3 | 112.1 | P38 E39 R46 | P38-R42 VanDerWaalsContact O-CG 3.32Å; P38-R42 WeakPolarHBondContact O-CG 3.39Å; P38-R42 PolarHBondContact O-N 3.35Å; E39-R42 PolarHBondContact O-N 3.48Å; E39-R42 IonicContact OE1-NH1 3.28Å; E39-R42 PolarHBondContact OE1-NH1 3.44Å; R42-R46 VanDerWaalsContact O-CB 3.28Å; R42-R46 WeakPolarHBondContact O-CB 3.08Å; R42-R46 PolarHBondContact O-N 2.97Å |
| 43 | D | 90.1 | Very high | 81.4 | Confident | 76 Ų | 76 | 106.8 Ų | 106.8 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 176 | -78.6 | -27.2 | 0 | 0 | 0 | 112.8 | E39 T40 A41 R46 R47 | E39-D43 PolarHBondContact O-N 3.32Å; T40-D43 PolarHBondContact O-N 2.92Å; A41-D43 VanDerWaalsContact C-N 3.32Å; A41-D43 PolarHBondContact O-N 2.96Å; D43-R46 PolarHBondContact O-N 2.98Å; D43-R46 IonicContact OD1-CZ 3.71Å; D43-R46 IonicContact OD1-NH1 2.72Å; D43-R46 PolarHBondContact OD1-NH1 3.26Å; D43-R47 WeakPolarHBondContact O-CB 3.32Å; D43-R47 PolarHBondContact O-N 2.94Å |
| 44 | Q | 91.1 | Very high | 83.6 | Confident | 103 Ų | 103 | 104.8 Ų | 104.8 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 171.2 | -75.2 | -177.9 | -12.4 | 0 | 0 | 111.6 | T40 A41 R46 R47 I48 | T40-Q44 WeakPolarHBondContact O-CG 3.5Å; T40-Q44 PolarHBondContact O-N 2.86Å; A41-Q44 PolarHBondContact O-N 2.97Å; Q44-R46 VanDerWaalsContact C-N 3.34Å; Q44-R46 PolarHBondContact O-N 3.33Å; Q44-R47 WeakPolarHBondContact O-CB 3.48Å; Q44-R47 PolarHBondContact O-N 2.99Å; Q44-R47 VanDerWaalsContact O-N 3.13Å; Q44-I48 WeakPolarHBondContact O-CG1 3.49Å; Q44-I48 PolarHBondContact O-N 3.19Å |
| 45 | E | 94 | Very high | 85.5 | Confident | 82 Ų | 82 | 102.7 Ų | 102.7 | 38% | 0.383 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.3 | 177.7 | 60.8 | -158.9 | 0 | 0 | 111.5 | A41 R47 I48 R49 | A41-E45 WeakPolarHBondContact O-CB 3.29Å; A41-E45 PolarHBondContact O-N 3.45Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 3.11Å; E45-I48 PolarHBondContact O-N 3.07Å; E45-R49 WeakPolarHBondContact O-CG 3.44Å; E45-R49 PolarHBondContact O-N 3.02Å; E45-R49 IonicContact OE1-CZ 3.22Å; E45-R49 VanDerWaalsContact OE1-CZ 3.22Å; E45-R49 IonicContact OE1-NE 2.75Å; E45-R49 PolarHBondContact OE1-NE 3.42Å; E45-R49 IonicContact OE1-NH2 2.82Å; E45-R49 PolarHBondContact OE1-NH2 2.97Å |
| 46 | R | 95.9 | Very high | 87.7 | Confident | 127 Ų | 127 | 102.1 Ų | 102.1 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 175.1 | -173.5 | -176.2 | -68 | 147.8 | -8.4 | 111.6 | R42 D43 Q44 R50 | R42-R46 VanDerWaalsContact O-CB 3.28Å; R42-R46 WeakPolarHBondContact O-CB 3.08Å; R42-R46 PolarHBondContact O-N 2.97Å; D43-R46 PolarHBondContact O-N 2.98Å; D43-R46 IonicContact OD1-CZ 3.71Å; D43-R46 IonicContact OD1-NH1 2.72Å; D43-R46 PolarHBondContact OD1-NH1 3.26Å; Q44-R46 VanDerWaalsContact C-N 3.34Å; Q44-R46 PolarHBondContact O-N 3.33Å; R46-R50 VanDerWaalsContact O-CG 3.31Å; R46-R50 WeakPolarHBondContact O-CG 3.32Å; R46-R50 PolarHBondContact O-N 3.32Å; R46-R50 VanDerWaalsContact O-N 3.14Å |
| 47 | R | 96.4 | Very high | 89.7 | Confident | 166 Ų | 166 | 101.5 Ų | 101.5 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.6 | -46.9 | 175.6 | -178.3 | 177.1 | 179.1 | 162.8 | 3.3 | 111.5 | D43 Q44 E45 R49 R50 E51 | D43-R47 WeakPolarHBondContact O-CB 3.32Å; D43-R47 PolarHBondContact O-N 2.94Å; Q44-R47 WeakPolarHBondContact O-CB 3.48Å; Q44-R47 PolarHBondContact O-N 2.99Å; Q44-R47 VanDerWaalsContact O-N 3.13Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 3.11Å; R47-R49 VanDerWaalsContact C-N 3.33Å; R47-R49 PolarHBondContact O-N 2.84Å; R47-R50 WeakPolarHBondContact O-CB 3.39Å; R47-R50 PolarHBondContact O-N 3.28Å; R47-R50 VanDerWaalsContact O-N 3.15Å; R47-E51 HydrophobicContact CG-CG 4.48Å; R47-E51 WeakPolarHBondContact CG-OE1 3.46Å; R47-E51 IonicContact CZ-OE1 2.89Å; R47-E51 IonicContact NE-OE1 3.95Å; R47-E51 PolarHBondContact NE-OE1 3.3Å; R47-E51 IonicContact NH2-OE1 3.89Å; R47-E51 WeakPolarHBondContact O-CG 3.36Å; R47-E51 PolarHBondContact O-N 2.96Å |
| 48 | I | 96.4 | Very high | 91.5 | Very high | 82 Ų | 82 | 106.1 Ų | 106.1 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 177.1 | -68.5 | 166.1 | 0 | 0 | 0 | 110.4 | Q44 E45 R50 E51 I52 | Q44-I48 WeakPolarHBondContact O-CG1 3.49Å; Q44-I48 PolarHBondContact O-N 3.19Å; E45-I48 PolarHBondContact O-N 3.07Å; I48-R50 VanDerWaalsContact C-N 3.33Å; I48-R50 PolarHBondContact O-N 2.86Å; I48-E51 PolarHBondContact O-N 2.93Å; I48-E51 VanDerWaalsContact O-N 3.15Å; I48-I52 HydrophobicContact CG2-CD1 3.79Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 WeakPolarHBondContact O-CG1 3.44Å; I48-I52 PolarHBondContact O-N 3.46Å |
| 49 | R | 97.8 | Very high | 92.9 | Very high | 164 Ų | 164 | 109.8 Ų | 109.8 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.3 | -42.2 | 176.4 | -72.2 | 176.6 | -172.8 | -115.9 | -6.9 | 112.7 | E45 R47 A53 | E45-R49 WeakPolarHBondContact O-CG 3.44Å; E45-R49 PolarHBondContact O-N 3.02Å; E45-R49 IonicContact OE1-CZ 3.22Å; E45-R49 VanDerWaalsContact OE1-CZ 3.22Å; E45-R49 IonicContact OE1-NE 2.75Å; E45-R49 PolarHBondContact OE1-NE 3.42Å; E45-R49 IonicContact OE1-NH2 2.82Å; E45-R49 PolarHBondContact OE1-NH2 2.97Å; R47-R49 VanDerWaalsContact C-N 3.33Å; R47-R49 PolarHBondContact O-N 2.84Å; R49-A53 WeakPolarHBondContact O-CB 3.32Å; R49-A53 PolarHBondContact O-N 3.24Å |
| 50 | R | 97.9 | Very high | 94.5 | Very high | 163 Ų | 163 | 110.3 Ų | 110.3 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 175.4 | -72.6 | 172.4 | -178.5 | -177.2 | 1.1 | 111.6 | R46 R47 I48 A53 N54 | R46-R50 VanDerWaalsContact O-CG 3.31Å; R46-R50 WeakPolarHBondContact O-CG 3.32Å; R46-R50 PolarHBondContact O-N 3.32Å; R46-R50 VanDerWaalsContact O-N 3.14Å; R47-R50 WeakPolarHBondContact O-CB 3.39Å; R47-R50 PolarHBondContact O-N 3.28Å; R47-R50 VanDerWaalsContact O-N 3.15Å; I48-R50 VanDerWaalsContact C-N 3.33Å; I48-R50 PolarHBondContact O-N 2.86Å; R50-A53 PolarHBondContact O-N 3.45Å; R50-N54 WeakPolarHBondContact O-CB 3.42Å; R50-N54 PolarHBondContact O-N 3.36Å; R50-N54 PolarHBondContact O-ND2 3.16Å |
| 51 | E | 97.8 | Very high | 95.6 | Very high | 99 Ų | 99 | 111.6 Ų | 111.6 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.9 | -73 | 174.5 | -170.4 | 0 | 0 | 111.7 | R47 I48 N54 S55 | R47-E51 HydrophobicContact CG-CG 4.48Å; R47-E51 WeakPolarHBondContact CG-OE1 3.46Å; R47-E51 IonicContact CZ-OE1 2.89Å; R47-E51 IonicContact NE-OE1 3.95Å; R47-E51 PolarHBondContact NE-OE1 3.3Å; R47-E51 IonicContact NH2-OE1 3.89Å; R47-E51 WeakPolarHBondContact O-CG 3.36Å; R47-E51 PolarHBondContact O-N 2.96Å; I48-E51 PolarHBondContact O-N 2.93Å; I48-E51 VanDerWaalsContact O-N 3.15Å; E51-N54 PolarHBondContact O-N 2.91Å; E51-S55 WeakPolarHBondContact O-CB 3.46Å; E51-S55 PolarHBondContact O-N 3.34Å |
| 52 | I | 97.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 115.2 Ų | 115.2 | 55% | 0.554 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 174.1 | -66.6 | 168.3 | 0 | 0 | 0 | 110.7 | I48 N54 S55 N56 | I48-I52 HydrophobicContact CG2-CD1 3.79Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 WeakPolarHBondContact O-CG1 3.44Å; I48-I52 PolarHBondContact O-N 3.46Å; I52-N54 PolarHBondContact O-N 2.99Å; I52-S55 PolarHBondContact O-N 3.27Å; I52-N56 WeakPolarHBondContact O-CB 3.43Å; I52-N56 PolarHBondContact O-N 3.39Å |
| 53 | A | 98.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 111.3 Ų | 111.3 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R49 R50 S55 N56 E57 | R49-A53 WeakPolarHBondContact O-CB 3.32Å; R49-A53 PolarHBondContact O-N 3.24Å; R50-A53 PolarHBondContact O-N 3.45Å; A53-S55 PolarHBondContact O-N 3.4Å; A53-N56 WeakPolarHBondContact O-CB 3.47Å; A53-N56 PolarHBondContact O-N 3.45Å; A53-E57 PolarHBondContact O-N 2.98Å |
| 54 | N | 98.6 | Very high | 97.5 | Very high | 114 Ų | 114 | 110.4 Ų | 110.4 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 176.6 | -72.6 | -16 | 0 | 0 | 0 | 112.2 | R50 E51 I52 N56 E57 R58 | R50-N54 WeakPolarHBondContact O-CB 3.42Å; R50-N54 PolarHBondContact O-N 3.36Å; R50-N54 PolarHBondContact O-ND2 3.16Å; E51-N54 PolarHBondContact O-N 2.91Å; I52-N54 PolarHBondContact O-N 2.99Å; N54-N56 VanDerWaalsContact C-N 3.3Å; N54-N56 PolarHBondContact O-N 3.38Å; N54-E57 PolarHBondContact O-N 3.32Å; N54-R58 WeakPolarHBondContact O-CB 3.43Å; N54-R58 PolarHBondContact O-N 3.14Å |
| 55 | S | 98.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 108.7 Ų | 108.7 | 47% | 0.469 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 175 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | E51 I52 A53 R59 | E51-S55 WeakPolarHBondContact O-CB 3.46Å; E51-S55 PolarHBondContact O-N 3.34Å; I52-S55 PolarHBondContact O-N 3.27Å; A53-S55 PolarHBondContact O-N 3.4Å; S55-R59 PolarHBondContact O-N 3.04Å; S55-R59 VanDerWaalsContact O-N 3.17Å |
| 56 | N | 98.6 | Very high | 98 | Very high | 100 Ų | 100 | 107.4 Ų | 107.4 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 177.5 | -164.5 | -68.1 | 0 | 0 | 0 | 111.2 | I52 A53 N54 R58 R59 R60 | I52-N56 WeakPolarHBondContact O-CB 3.43Å; I52-N56 PolarHBondContact O-N 3.39Å; A53-N56 WeakPolarHBondContact O-CB 3.47Å; A53-N56 PolarHBondContact O-N 3.45Å; N54-N56 VanDerWaalsContact C-N 3.3Å; N54-N56 PolarHBondContact O-N 3.38Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact O-N 3.42Å; N56-R59 WeakPolarHBondContact O-CB 3.35Å; N56-R59 PolarHBondContact O-N 3.27Å; N56-R59 VanDerWaalsContact O-N 3.1Å; N56-R60 PolarHBondContact O-N 3.49Å |
| 57 | E | 98.5 | Very high | 98.1 | Very high | 77 Ų | 77 | 103.2 Ų | 103.2 | 36% | 0.36 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 179.1 | -173 | 55.6 | -148.5 | 0 | 0 | 112 | A53 N54 R59 R60 M61 | A53-E57 PolarHBondContact O-N 2.98Å; N54-E57 PolarHBondContact O-N 3.32Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 3.45Å; E57-R60 PolarHBondContact O-N 3.06Å; E57-R60 IonicContact OE1-NH1 3.81Å; E57-R60 PolarHBondContact OE1-NH1 2.78Å; E57-R60 IonicContact OE2-NH1 2.97Å; E57-M61 WeakPolarHBondContact O-CB 3.49Å; E57-M61 PolarHBondContact O-N 2.97Å |
| 58 | R | 98.7 | Very high | 98.2 | Very high | 176 Ų | 176 | 97.1 Ų | 97.1 | 66% | 0.664 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.1 | -44.8 | 173.1 | -177.3 | -179.6 | -65.5 | -85.9 | -0.1 | 111.4 | N54 N56 M61 Q62 | N54-R58 WeakPolarHBondContact O-CB 3.43Å; N54-R58 PolarHBondContact O-N 3.14Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact O-N 3.42Å; R58-M61 PolarHBondContact O-N 3.04Å; R58-Q62 WeakPolarHBondContact O-CB 3.38Å; R58-Q62 VanDerWaalsContact O-CG 3.3Å; R58-Q62 WeakPolarHBondContact O-CG 3.4Å; R58-Q62 PolarHBondContact O-N 3.49Å |
| 59 | R | 98.7 | Very high | 98.2 | Very high | 173 Ų | 173 | 98.9 Ų | 98.9 | 65% | 0.653 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -46 | 177.8 | -173.9 | -174.1 | -63.9 | -175.7 | -0.2 | 111 | S55 N56 E57 M61 Q62 S63 | S55-R59 PolarHBondContact O-N 3.04Å; S55-R59 VanDerWaalsContact O-N 3.17Å; N56-R59 WeakPolarHBondContact O-CB 3.35Å; N56-R59 PolarHBondContact O-N 3.27Å; N56-R59 VanDerWaalsContact O-N 3.1Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 3.45Å; R59-M61 VanDerWaalsContact C-N 3.33Å; R59-M61 PolarHBondContact O-N 3.47Å; R59-Q62 WeakPolarHBondContact O-CB 3.46Å; R59-Q62 PolarHBondContact O-N 3.4Å; R59-S63 PolarHBondContact O-N 2.98Å; R59-S63 PolarHBondContact O-OG 3.3Å |
| 60 | R | 98.6 | Very high | 98.1 | Very high | 128 Ų | 128 | 94.6 Ų | 94.6 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 175.1 | 179.9 | -179.2 | 172.3 | -88.3 | -3.9 | 111.6 | N56 E57 Q62 S63 I64 | N56-R60 PolarHBondContact O-N 3.49Å; E57-R60 PolarHBondContact O-N 3.06Å; E57-R60 IonicContact OE1-NH1 3.81Å; E57-R60 PolarHBondContact OE1-NH1 2.78Å; E57-R60 IonicContact OE2-NH1 2.97Å; R60-Q62 VanDerWaalsContact C-N 3.35Å; R60-Q62 PolarHBondContact O-N 2.72Å; R60-S63 PolarHBondContact O-N 3.02Å; R60-S63 PolarHBondContact O-OG 3.41Å; R60-I64 HydrophobicContact CG-CD1 3.97Å; R60-I64 VanDerWaalsContact O-CG1 3.27Å; R60-I64 WeakPolarHBondContact O-CG1 3.32Å; R60-I64 PolarHBondContact O-N 2.94Å |
| 61 | M | 98.6 | Very high | 98.1 | Very high | 82 Ų | 82 | 89.1 Ų | 89.1 | 40% | 0.404 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.9 | -161.8 | 71.8 | 61.8 | 0 | 0 | 111.6 | E57 R58 R59 I64 N65 | E57-M61 WeakPolarHBondContact O-CB 3.49Å; E57-M61 PolarHBondContact O-N 2.97Å; R58-M61 PolarHBondContact O-N 3.04Å; R59-M61 VanDerWaalsContact C-N 3.33Å; R59-M61 PolarHBondContact O-N 3.47Å; M61-I64 PolarHBondContact O-N 2.88Å; M61-N65 WeakPolarHBondContact O-CB 3.35Å; M61-N65 PolarHBondContact O-N 3.4Å; M61-N65 PolarHBondContact O-ND2 2.84Å |
| 62 | Q | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 86 Ų | 86 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 175.9 | -75.5 | 172.4 | -16.8 | 0 | 0 | 111.8 | R58 R59 R60 N65 A66 | R58-Q62 WeakPolarHBondContact O-CB 3.38Å; R58-Q62 VanDerWaalsContact O-CG 3.3Å; R58-Q62 WeakPolarHBondContact O-CG 3.4Å; R58-Q62 PolarHBondContact O-N 3.49Å; R59-Q62 WeakPolarHBondContact O-CB 3.46Å; R59-Q62 PolarHBondContact O-N 3.4Å; R60-Q62 VanDerWaalsContact C-N 3.35Å; R60-Q62 PolarHBondContact O-N 2.72Å; Q62-N65 PolarHBondContact O-N 3.38Å; Q62-A66 WeakPolarHBondContact O-CB 3.34Å; Q62-A66 PolarHBondContact O-N 3Å |
| 63 | S | 98.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 85.9 Ų | 85.9 | 53% | 0.531 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 178.5 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | R59 R60 A66 G67 | R59-S63 PolarHBondContact O-N 2.98Å; R59-S63 PolarHBondContact O-OG 3.3Å; R60-S63 PolarHBondContact O-N 3.02Å; R60-S63 PolarHBondContact O-OG 3.41Å; S63-A66 PolarHBondContact O-N 2.95Å; S63-G67 PolarHBondContact O-N 3.44Å |
| 64 | I | 98.3 | Very high | 97.8 | Very high | 56 Ų | 56 | 89.2 Ų | 89.2 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 174.4 | -69.5 | 168.3 | 0 | 0 | 0 | 110.2 | R60 M61 A66 G67 F68 | R60-I64 HydrophobicContact CG-CD1 3.97Å; R60-I64 VanDerWaalsContact O-CG1 3.27Å; R60-I64 WeakPolarHBondContact O-CG1 3.32Å; R60-I64 PolarHBondContact O-N 2.94Å; M61-I64 PolarHBondContact O-N 2.88Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 3.34Å; I64-G67 PolarHBondContact O-N 3.26Å; I64-G67 VanDerWaalsContact O-N 3.16Å; I64-F68 HydrophobicContact CG2-CD2 3.82Å; I64-F68 HydrophobicContact CG2-CE2 3.77Å; I64-F68 WeakPolarHBondContact O-CD2 3.28Å; I64-F68 PolarHBondContact O-N 2.92Å |
| 65 | N | 98 | Very high | 97.7 | Very high | 67 Ų | 67 | 84.3 Ų | 84.3 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 179 | -70.5 | -19.2 | 0 | 0 | 0 | 112.2 | M61 Q62 G67 F68 Q69 K85 | M61-N65 WeakPolarHBondContact O-CB 3.35Å; M61-N65 PolarHBondContact O-N 3.4Å; M61-N65 PolarHBondContact O-ND2 2.84Å; Q62-N65 PolarHBondContact O-N 3.38Å; N65-G67 VanDerWaalsContact C-N 3.33Å; N65-F68 PolarHBondContact O-N 3.45Å; N65-Q69 WeakPolarHBondContact O-CG 3.47Å; N65-Q69 PolarHBondContact O-N 3.44Å; N65-Q69 VanDerWaalsContact O-N 3.08Å; N65-K85 WeakPolarHBondContact OD1-CE 3.36Å; N65-K85 PolarHBondContact OD1-NZ 3.44Å |
| 66 | A | 98.2 | Very high | 97.5 | Very high | 55 Ų | 55 | 85.1 Ų | 85.1 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q62 S63 I64 Q69 S70 | Q62-A66 WeakPolarHBondContact O-CB 3.34Å; Q62-A66 PolarHBondContact O-N 3Å; S63-A66 PolarHBondContact O-N 2.95Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 3.34Å; A66-Q69 PolarHBondContact O-N 2.86Å; A66-S70 PolarHBondContact O-N 2.89Å; A66-S70 PolarHBondContact O-OG 3.3Å |
| 67 | G | 98.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 82.9 Ų | 82.9 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S63 I64 N65 Q69 S70 L71 | S63-G67 PolarHBondContact O-N 3.44Å; I64-G67 PolarHBondContact O-N 3.26Å; I64-G67 VanDerWaalsContact O-N 3.16Å; N65-G67 VanDerWaalsContact C-N 3.33Å; G67-Q69 VanDerWaalsContact C-N 3.33Å; G67-Q69 PolarHBondContact O-N 3.02Å; G67-S70 PolarHBondContact O-N 2.83Å; G67-L71 WeakPolarHBondContact O-CB 3.49Å; G67-L71 PolarHBondContact O-N 3.41Å |
| 68 | F | 97.9 | Very high | 96.5 | Very high | 37 Ų | 37 | 82.6 Ų | 82.6 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.6 | -40 | 175.2 | -89.8 | -77.9 | 0 | 0 | 0 | 113 | I64 N65 L71 K72 K85 I88 L89 | I64-F68 HydrophobicContact CG2-CD2 3.82Å; I64-F68 HydrophobicContact CG2-CE2 3.77Å; I64-F68 WeakPolarHBondContact O-CD2 3.28Å; I64-F68 PolarHBondContact O-N 2.92Å; N65-F68 PolarHBondContact O-N 3.45Å; F68-L71 PolarHBondContact O-N 2.96Å; F68-K72 WeakPolarHBondContact O-CB 3.49Å; F68-K72 PolarHBondContact O-N 3.38Å; F68-K85 HydrophobicContact CD1-CB 4.16Å; F68-K85 HydrophobicContact CD1-CG 4Å; F68-K85 HydrophobicContact CD2-CD 4.13Å; F68-K85 HydrophobicContact CD2-CG 4.25Å; F68-K85 HydrophobicContact CE1-CB 3.67Å; F68-K85 HydrophobicContact CE1-CD 4.48Å; F68-K85 HydrophobicContact CE1-CG 3.92Å; F68-K85 WeakPolarHBondContact CE1-O 3.42Å; F68-K85 HydrophobicContact CE2-CD 3.9Å; F68-K85 HydrophobicContact CE2-CG 4.2Å; F68-K85 HydrophobicContact CG-CG 4.16Å; F68-K85 HydrophobicContact CZ-CB 3.88Å; F68-K85 HydrophobicContact CZ-CD 4.09Å; F68-K85 HydrophobicContact CZ-CG 4.04Å; F68-I88 HydrophobicContact CD1-CB 4.25Å; F68-I88 HydrophobicContact CD1-CD1 4.11Å; F68-I88 HydrophobicContact CD1-CG2 4.1Å; F68-L89 HydrophobicContact CE1-CD1 4.29Å; F68-L89 HydrophobicContact CE1-CD2 4Å; F68-L89 HydrophobicContact CE1-CG 3.88Å; F68-L89 HydrophobicContact CZ-CD1 4.2Å; F68-L89 HydrophobicContact CZ-CD2 4.28Å; F68-L89 HydrophobicContact CZ-CG 4.25Å |
| 69 | Q | 96 | Very high | 95.5 | Very high | 120 Ų | 120 | 82.1 Ų | 82.1 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.1 | -41 | 176.7 | -64 | -64.3 | 21.2 | 0 | 0 | 111.8 | N65 A66 G67 K72 T73 | N65-Q69 WeakPolarHBondContact O-CG 3.47Å; N65-Q69 PolarHBondContact O-N 3.44Å; N65-Q69 VanDerWaalsContact O-N 3.08Å; A66-Q69 PolarHBondContact O-N 2.86Å; G67-Q69 VanDerWaalsContact C-N 3.33Å; G67-Q69 PolarHBondContact O-N 3.02Å; Q69-K72 WeakPolarHBondContact O-CB 3.35Å; Q69-K72 PolarHBondContact O-N 3.28Å; Q69-T73 WeakPolarHBondContact O-CG2 3.5Å; Q69-T73 PolarHBondContact O-N 3.43Å |
| 70 | S | 96.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 77.4 Ų | 77.4 | 51% | 0.51 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 175.7 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | A66 G67 K72 T73 | A66-S70 PolarHBondContact O-N 2.89Å; A66-S70 PolarHBondContact O-OG 3.3Å; G67-S70 PolarHBondContact O-N 2.83Å; S70-K72 VanDerWaalsContact C-N 3.32Å; S70-K72 PolarHBondContact O-N 2.97Å; S70-T73 PolarHBondContact O-N 3.07Å; S70-T73 PolarHBondContact O-OG1 3.37Å |
| 71 | L | 97.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 74.8 Ų | 74.8 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 178.5 | -176.8 | 56.5 | 0 | 0 | 0 | 111.9 | G67 F68 T73 L74 I75 I88 L89 T92 | G67-L71 WeakPolarHBondContact O-CB 3.49Å; G67-L71 PolarHBondContact O-N 3.41Å; F68-L71 PolarHBondContact O-N 2.96Å; L71-T73 VanDerWaalsContact C-N 3.26Å; L71-T73 PolarHBondContact O-N 3.44Å; L71-L74 PolarHBondContact O-N 3.3Å; L71-L74 VanDerWaalsContact O-N 3.08Å; L71-I75 HydrophobicContact CG-CD1 4.31Å; L71-I88 HydrophobicContact CB-CG2 4.24Å; L71-I88 HydrophobicContact CD2-CG2 3.8Å; L71-I88 HydrophobicContact CG-CG2 3.85Å; L71-L89 HydrophobicContact CD2-CD2 4.34Å; L71-T92 HydrophobicContact CD1-CG2 3.8Å; L71-T92 HydrophobicContact CD2-CG2 4.38Å; L71-T92 WeakPolarHBondContact CD2-OG1 3.3Å; L71-T92 HydrophobicContact CG-CG2 4.47Å |
| 72 | K | 96.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 80.6 Ų | 80.6 | 14% | 0.143 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -54.5 | -43.1 | 177.3 | -169.4 | -172.9 | 172.8 | -151.2 | 0 | 111.9 | F68 Q69 S70 L74 I75 H77 E81 L83 I88 | F68-K72 WeakPolarHBondContact O-CB 3.49Å; F68-K72 PolarHBondContact O-N 3.38Å; Q69-K72 WeakPolarHBondContact O-CB 3.35Å; Q69-K72 PolarHBondContact O-N 3.28Å; S70-K72 VanDerWaalsContact C-N 3.32Å; S70-K72 PolarHBondContact O-N 2.97Å; K72-L74 PolarHBondContact O-N 2.8Å; K72-L74 VanDerWaalsContact O-N 3.16Å; K72-I75 PolarHBondContact O-N 3.42Å; K72-H77 PolarHBondContact O-CE1 3.34Å; K72-H77 PolarHBondContact O-ND1 2.91Å; K72-H77 VanDerWaalsContact O-ND1 3.07Å; K72-E81 VanDerWaalsContact CE-O 3.3Å; K72-E81 WeakPolarHBondContact CE-O 3.44Å; K72-E81 PolarHBondContact NZ-O 3.03Å; K72-L83 HydrophobicContact CG-CD1 4.19Å; K72-I88 HydrophobicContact CB-CD1 4.1Å; K72-I88 HydrophobicContact CB-CG1 4.39Å; K72-I88 HydrophobicContact CD-CD1 4.35Å; K72-I88 HydrophobicContact CG-CD1 4.28Å; K72-I88 HydrophobicContact CG-CG1 4.34Å |
| 73 | T | 95 | Very high | 93.7 | Very high | 106 Ų | 106 | 76.4 Ų | 76.4 | 65% | 0.65 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.7 | -18.6 | -179.6 | 64.6 | 0 | 0 | 0 | 0 | 115 | Q69 S70 L71 | Q69-T73 WeakPolarHBondContact O-CG2 3.5Å; Q69-T73 PolarHBondContact O-N 3.43Å; S70-T73 PolarHBondContact O-N 3.07Å; S70-T73 PolarHBondContact O-OG1 3.37Å; L71-T73 VanDerWaalsContact C-N 3.26Å; L71-T73 PolarHBondContact O-N 3.44Å |
| 74 | L | 95.6 | Very high | 93.6 | Very high | 126 Ų | 126 | 76.2 Ų | 76.2 | 66% | 0.66 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -92.6 | -13.1 | -177.9 | -62.3 | 176.1 | 0 | 0 | 0 | 113.5 | L71 K72 Y95 | L71-L74 PolarHBondContact O-N 3.3Å; L71-L74 VanDerWaalsContact O-N 3.08Å; K72-L74 PolarHBondContact O-N 2.8Å; K72-L74 VanDerWaalsContact O-N 3.16Å; L74-Y95 WeakPolarHBondContact O-CE1 3.3Å |
| 75 | I | 95.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 78.1 Ų | 78.1 | 6% | 0.056 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -96.6 | 142.6 | -177.9 | -54.5 | 162.2 | 0 | 0 | 0 | 108 | L71 K72 H77 I88 Q91 T92 | L71-I75 HydrophobicContact CG-CD1 4.31Å; K72-I75 PolarHBondContact O-N 3.42Å; I75-H77 PolarHBondContact O-N 3.37Å; I75-H77 VanDerWaalsContact O-N 3.1Å; I75-H77 PolarHBondContact O-ND1 3.46Å; I75-I88 HydrophobicContact CD1-CG2 3.95Å; I75-I88 WeakPolarHBondContact CD1-O 3.43Å; I75-Q91 HydrophobicContact CG2-CB 3.8Å; I75-T92 WeakPolarHBondContact CD1-OG1 3.41Å |
| 76 | P | 94.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 78.2 Ų | 78.2 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | trans | -59.1 | 114.1 | 170.6 | -21.9 | 33 | 0 | 0 | 0 | 111.3 | Y95 | P76-Y95 HydrophobicContact CG-CD2 3.82Å; P76-Y95 HydrophobicContact CG-CE1 4.36Å; P76-Y95 HydrophobicContact CG-CE2 3.54Å; P76-Y95 HydrophobicContact CG-CG 4.38Å | ||
| 77 | H | 90.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 77 Ų | 77 | 25% | 0.245 | 45% | 0.451 | C | S | . | . | trans | -153.8 | 167.4 | 174.4 | 66.5 | -70.9 | 0 | 0 | 0 | 109.7 | K72 I75 L83 | K72-H77 PolarHBondContact O-CE1 3.34Å; K72-H77 PolarHBondContact O-ND1 2.91Å; K72-H77 VanDerWaalsContact O-ND1 3.07Å; I75-H77 PolarHBondContact O-N 3.37Å; I75-H77 VanDerWaalsContact O-N 3.1Å; I75-H77 PolarHBondContact O-ND1 3.46Å; H77-L83 HydrophobicContact CB-CD1 4Å | ||
| 78 | S | 86.6 | Confident | 93.6 | Very high | 70 Ų | 70 | 75.3 Ų | 75.3 | 49% | 0.49 | 43% | 0.433 | S | S | . | . | trans | -83.7 | 140.1 | 178.2 | 54.7 | 0 | 0 | 0 | 0 | 112 | G80 E81 | S78-G80 PolarHBondContact O-N 3.31Å; S78-E81 PolarHBondContact N-OE2 2.85Å; S78-E81 WeakPolarHBondContact O-CB 3.44Å; S78-E81 PolarHBondContact O-N 2.92Å; S78-E81 WeakPolarHBondContact OG-CB 3.32Å; S78-E81 PolarHBondContact OG-OE2 3.09Å | ||
| 79 | D | 76.8 | Confident | 93.6 | Very high | 166 Ų | 166 | 78.1 Ų | 78.1 | 89% | 0.888 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 127.1 | 178.7 | -84.2 | -30.1 | 0 | 0 | 0 | 110.7 | E81 | D79-E81 VanDerWaalsContact C-N 3.34Š|
| 80 | G | 80.4 | Confident | 93.7 | Very high | 74 Ų | 74 | 77.6 Ų | 77.6 | 76% | 0.763 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -3.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S78 | S78-G80 PolarHBondContact O-N 3.31Š|
| 81 | E | 89.7 | Confident | 93.7 | Very high | 74 Ų | 74 | 76.7 Ų | 76.7 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | trans | -65.7 | 135.7 | 176.1 | -170.9 | 171.7 | -176.3 | 0 | 0 | 112 | K72 S78 D79 L83 | K72-E81 VanDerWaalsContact CE-O 3.3Å; K72-E81 WeakPolarHBondContact CE-O 3.44Å; K72-E81 PolarHBondContact NZ-O 3.03Å; S78-E81 PolarHBondContact N-OE2 2.85Å; S78-E81 WeakPolarHBondContact O-CB 3.44Å; S78-E81 PolarHBondContact O-N 2.92Å; S78-E81 WeakPolarHBondContact OG-CB 3.32Å; S78-E81 PolarHBondContact OG-OE2 3.09Å; D79-E81 VanDerWaalsContact C-N 3.34Å; E81-L83 HydrophobicContact CG-CD2 4.23Å; E81-L83 HydrophobicContact CG-CG 4.46Å; E81-L83 PolarHBondContact O-N 3.34Å | ||
| 82 | K | 92.8 | Very high | 93.8 | Very high | 203 Ų | 203 | 75.5 Ų | 75.5 | 88% | 0.883 | 43% | 0.429 | S | S | * | . | trans | -93.8 | 101.2 | 178.4 | -70.4 | -174.8 | 179.5 | 177.6 | 0 | 110.4 | ||||
| 83 | L | 94.1 | Very high | 93.9 | Very high | 32 Ų | 32 | 76.6 Ų | 76.6 | 17% | 0.168 | 44% | 0.444 | C | S | . | . | trans | -93.5 | 137.4 | 173.6 | -61.7 | 176.7 | 0 | 0 | 0 | 111.1 | K72 H77 E81 A87 I88 | K72-L83 HydrophobicContact CG-CD1 4.19Å; H77-L83 HydrophobicContact CB-CD1 4Å; E81-L83 HydrophobicContact CG-CD2 4.23Å; E81-L83 HydrophobicContact CG-CG 4.46Å; E81-L83 PolarHBondContact O-N 3.34Å; L83-A87 HydrophobicContact CD2-CB 4.47Å; L83-I88 HydrophobicContact CB-CD1 4.29Å; L83-I88 HydrophobicContact CB-CG1 3.71Å; L83-I88 HydrophobicContact CD1-CG1 4.36Å | ||
| 84 | S | 97.1 | Very high | 94 | Very high | 72 Ų | 72 | 76.4 Ų | 76.4 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | trans | -74.3 | 161.4 | 171.3 | 75.9 | 0 | 0 | 0 | 0 | 110.7 | A86 A87 I88 | S84-A86 VanDerWaalsContact C-N 3.26Å; S84-A86 PolarHBondContact O-N 3Å; S84-A87 PolarHBondContact O-N 2.99Å; S84-A87 VanDerWaalsContact O-N 3.15Å; S84-A87 WeakPolarHBondContact OG-CB 3.27Å; S84-A87 PolarHBondContact OG-N 3.37Å; S84-A87 VanDerWaalsContact OG-N 3.1Å; S84-I88 WeakPolarHBondContact O-CG1 3.22Å; S84-I88 PolarHBondContact O-N 2.94Å | ||
| 85 | K | 97.5 | Very high | 94.1 | Very high | 95 Ų | 95 | 74.5 Ų | 74.5 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.9 | -41.4 | 176.2 | -70.7 | -175.4 | 176.6 | -176 | 0 | 112.2 | N65 F68 I88 L89 | N65-K85 WeakPolarHBondContact OD1-CE 3.36Å; N65-K85 PolarHBondContact OD1-NZ 3.44Å; F68-K85 HydrophobicContact CD1-CB 4.16Å; F68-K85 HydrophobicContact CD1-CG 4Å; F68-K85 HydrophobicContact CD2-CD 4.13Å; F68-K85 HydrophobicContact CD2-CG 4.25Å; F68-K85 HydrophobicContact CE1-CB 3.67Å; F68-K85 HydrophobicContact CE1-CD 4.48Å; F68-K85 HydrophobicContact CE1-CG 3.92Å; F68-K85 WeakPolarHBondContact CE1-O 3.42Å; F68-K85 HydrophobicContact CE2-CD 3.9Å; F68-K85 HydrophobicContact CE2-CG 4.2Å; F68-K85 HydrophobicContact CG-CG 4.16Å; F68-K85 HydrophobicContact CZ-CB 3.88Å; F68-K85 HydrophobicContact CZ-CD 4.09Å; F68-K85 HydrophobicContact CZ-CG 4.04Å; K85-I88 PolarHBondContact O-N 3.33Å; K85-L89 WeakPolarHBondContact O-CG 3.29Å; K85-L89 PolarHBondContact O-N 3.4Å; K85-L89 VanDerWaalsContact O-N 3.13Å |
| 86 | A | 98.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 77.9 Ų | 77.9 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S84 I88 L89 Q90 | S84-A86 VanDerWaalsContact C-N 3.26Å; S84-A86 PolarHBondContact O-N 3Å; A86-I88 PolarHBondContact O-N 2.97Å; A86-L89 PolarHBondContact O-N 3.18Å; A86-Q90 WeakPolarHBondContact O-CB 3.23Å; A86-Q90 PolarHBondContact O-N 3.19Å |
| 87 | A | 97.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 79.6 Ų | 79.6 | 23% | 0.231 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 S84 L89 Q90 Q91 | L83-A87 HydrophobicContact CD2-CB 4.47Å; S84-A87 PolarHBondContact O-N 2.99Å; S84-A87 VanDerWaalsContact O-N 3.15Å; S84-A87 WeakPolarHBondContact OG-CB 3.27Å; S84-A87 PolarHBondContact OG-N 3.37Å; S84-A87 VanDerWaalsContact OG-N 3.1Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 3.07Å; A87-Q90 PolarHBondContact O-N 2.86Å; A87-Q91 WeakPolarHBondContact O-CB 3.35Å; A87-Q91 WeakPolarHBondContact O-CG 3.4Å; A87-Q91 PolarHBondContact O-N 3.22Å |
| 88 | I | 97.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 80.6 Ų | 80.6 | 3% | 0.031 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.3 | -66.6 | 166.5 | 0 | 0 | 0 | 110.1 | F68 L71 K72 I75 L83 S84 K85 A86 T92 | F68-I88 HydrophobicContact CD1-CB 4.25Å; F68-I88 HydrophobicContact CD1-CD1 4.11Å; F68-I88 HydrophobicContact CD1-CG2 4.1Å; L71-I88 HydrophobicContact CB-CG2 4.24Å; L71-I88 HydrophobicContact CD2-CG2 3.8Å; L71-I88 HydrophobicContact CG-CG2 3.85Å; K72-I88 HydrophobicContact CB-CD1 4.1Å; K72-I88 HydrophobicContact CB-CG1 4.39Å; K72-I88 HydrophobicContact CD-CD1 4.35Å; K72-I88 HydrophobicContact CG-CD1 4.28Å; K72-I88 HydrophobicContact CG-CG1 4.34Å; I75-I88 HydrophobicContact CD1-CG2 3.95Å; I75-I88 WeakPolarHBondContact CD1-O 3.43Å; L83-I88 HydrophobicContact CB-CD1 4.29Å; L83-I88 HydrophobicContact CB-CG1 3.71Å; L83-I88 HydrophobicContact CD1-CG1 4.36Å; S84-I88 WeakPolarHBondContact O-CG1 3.22Å; S84-I88 PolarHBondContact O-N 2.94Å; K85-I88 PolarHBondContact O-N 3.33Å; A86-I88 PolarHBondContact O-N 2.97Å; I88-T92 WeakPolarHBondContact O-CB 3.29Å; I88-T92 PolarHBondContact O-N 2.72Å; I88-T92 PolarHBondContact O-OG1 2.82Å |
| 89 | L | 98.5 | Very high | 95.4 | Very high | 96 Ų | 96 | 80.8 Ų | 80.8 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 179.1 | -66 | 174.5 | 0 | 0 | 0 | 112.2 | F68 L71 K85 A86 A87 T92 A93 | F68-L89 HydrophobicContact CE1-CD1 4.29Å; F68-L89 HydrophobicContact CE1-CD2 4Å; F68-L89 HydrophobicContact CE1-CG 3.88Å; F68-L89 HydrophobicContact CZ-CD1 4.2Å; F68-L89 HydrophobicContact CZ-CD2 4.28Å; F68-L89 HydrophobicContact CZ-CG 4.25Å; L71-L89 HydrophobicContact CD2-CD2 4.34Å; K85-L89 WeakPolarHBondContact O-CG 3.29Å; K85-L89 PolarHBondContact O-N 3.4Å; K85-L89 VanDerWaalsContact O-N 3.13Å; A86-L89 PolarHBondContact O-N 3.18Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 3.07Å; L89-T92 WeakPolarHBondContact O-CB 3.32Å; L89-T92 PolarHBondContact O-N 3.19Å; L89-A93 PolarHBondContact O-N 3.42Å |
| 90 | Q | 98 | Very high | 96.4 | Very high | 109 Ų | 109 | 78.2 Ų | 78.2 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.7 | -51 | -179.7 | -174.4 | 60.9 | 36.2 | 0 | 0 | 111.4 | A86 A87 T92 A93 E94 | A86-Q90 WeakPolarHBondContact O-CB 3.23Å; A86-Q90 PolarHBondContact O-N 3.19Å; A87-Q90 PolarHBondContact O-N 2.86Å; Q90-T92 VanDerWaalsContact C-N 3.27Å; Q90-T92 PolarHBondContact O-N 3.47Å; Q90-A93 PolarHBondContact O-N 2.94Å; Q90-A93 VanDerWaalsContact O-N 3.16Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.36Å; Q90-E94 PolarHBondContact NE2-OE1 3.38Å; Q90-E94 WeakPolarHBondContact O-CG 3.5Å; Q90-E94 PolarHBondContact O-N 3.39Å |
| 91 | Q | 97.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 79.6 Ų | 79.6 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 177.8 | -68.2 | -179.2 | 12.5 | 0 | 0 | 111.8 | I75 A87 Y95 | I75-Q91 HydrophobicContact CG2-CB 3.8Å; A87-Q91 WeakPolarHBondContact O-CB 3.35Å; A87-Q91 WeakPolarHBondContact O-CG 3.4Å; A87-Q91 PolarHBondContact O-N 3.22Å; Q91-Y95 WeakPolarHBondContact O-CB 3.3Å; Q91-Y95 PolarHBondContact O-N 3.16Å |
| 92 | T | 98.3 | Very high | 97.6 | Very high | 23 Ų | 23 | 81 Ų | 81 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 173 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | L71 I75 I88 L89 Q90 Y95 I96 | L71-T92 HydrophobicContact CD1-CG2 3.8Å; L71-T92 HydrophobicContact CD2-CG2 4.38Å; L71-T92 WeakPolarHBondContact CD2-OG1 3.3Å; L71-T92 HydrophobicContact CG-CG2 4.47Å; I75-T92 WeakPolarHBondContact CD1-OG1 3.41Å; I88-T92 WeakPolarHBondContact O-CB 3.29Å; I88-T92 PolarHBondContact O-N 2.72Å; I88-T92 PolarHBondContact O-OG1 2.82Å; L89-T92 WeakPolarHBondContact O-CB 3.32Å; L89-T92 PolarHBondContact O-N 3.19Å; Q90-T92 VanDerWaalsContact C-N 3.27Å; Q90-T92 PolarHBondContact O-N 3.47Å; T92-Y95 PolarHBondContact O-N 3.17Å; T92-I96 HydrophobicContact CG2-CD1 3.83Å; T92-I96 HydrophobicContact CG2-CG1 4.42Å; T92-I96 VanDerWaalsContact O-CG1 3.3Å; T92-I96 WeakPolarHBondContact O-CG1 3.46Å; T92-I96 PolarHBondContact O-N 2.93Å |
| 93 | A | 98.4 | Very high | 97.9 | Very high | 56 Ų | 56 | 78.1 Ų | 78.1 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L89 Q90 I96 F97 | L89-A93 PolarHBondContact O-N 3.42Å; Q90-A93 PolarHBondContact O-N 2.94Å; Q90-A93 VanDerWaalsContact O-N 3.16Å; A93-I96 PolarHBondContact O-N 3.37Å; A93-F97 WeakPolarHBondContact O-CB 3.34Å; A93-F97 PolarHBondContact O-N 2.89Å |
| 94 | E | 98 | Very high | 98.1 | Very high | 102 Ų | 102 | 80.1 Ų | 80.1 | 48% | 0.477 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 175.7 | -72.8 | 171.1 | -163.1 | 0 | 0 | 112.4 | Q90 F97 T98 | Q90-E94 WeakPolarHBondContact CG-OE1 3.36Å; Q90-E94 PolarHBondContact NE2-OE1 3.38Å; Q90-E94 WeakPolarHBondContact O-CG 3.5Å; Q90-E94 PolarHBondContact O-N 3.39Å; E94-F97 PolarHBondContact O-N 2.7Å; E94-T98 PolarHBondContact O-N 3.44Å; E94-T98 PolarHBondContact O-OG1 2.89Å |
| 95 | Y | 98.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 84.6 Ų | 84.6 | 34% | 0.337 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 178.8 | -174.6 | -128.6 | 0 | 0 | 0 | 111.8 | L74 P76 Q91 T92 F97 T98 L99 | L74-Y95 WeakPolarHBondContact O-CE1 3.3Å; P76-Y95 HydrophobicContact CG-CD2 3.82Å; P76-Y95 HydrophobicContact CG-CE1 4.36Å; P76-Y95 HydrophobicContact CG-CE2 3.54Å; P76-Y95 HydrophobicContact CG-CG 4.38Å; Q91-Y95 WeakPolarHBondContact O-CB 3.3Å; Q91-Y95 PolarHBondContact O-N 3.16Å; T92-Y95 PolarHBondContact O-N 3.17Å; Y95-F97 VanDerWaalsContact C-N 3.33Å; Y95-F97 PolarHBondContact O-N 2.94Å; Y95-T98 PolarHBondContact O-N 3.39Å; Y95-L99 HydrophobicContact CD1-CD1 3.98Å; Y95-L99 HydrophobicContact CD2-CG 4.34Å; Y95-L99 HydrophobicContact CE1-CD1 3.63Å; Y95-L99 HydrophobicContact CE1-CG 4.32Å; Y95-L99 HydrophobicContact CE2-CD1 4.23Å; Y95-L99 HydrophobicContact CE2-CD2 4.13Å; Y95-L99 HydrophobicContact CE2-CG 4.01Å; Y95-L99 HydrophobicContact CG-CD1 4.43Å; Y95-L99 WeakPolarHBondContact O-CG 3.35Å; Y95-L99 PolarHBondContact O-N 3.31Å |
| 96 | I | 98.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 84 Ų | 84 | 43% | 0.426 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57 | -48.7 | 172.3 | -70.1 | 169 | 0 | 0 | 0 | 110.2 | T92 A93 T98 L99 E100 | T92-I96 HydrophobicContact CG2-CD1 3.83Å; T92-I96 HydrophobicContact CG2-CG1 4.42Å; T92-I96 VanDerWaalsContact O-CG1 3.3Å; T92-I96 WeakPolarHBondContact O-CG1 3.46Å; T92-I96 PolarHBondContact O-N 2.93Å; A93-I96 PolarHBondContact O-N 3.37Å; I96-T98 VanDerWaalsContact C-N 3.27Å; I96-T98 PolarHBondContact O-N 3.49Å; I96-L99 PolarHBondContact O-N 3.48Å; I96-E100 HydrophobicContact CG2-CG 4.34Å; I96-E100 WeakPolarHBondContact O-CG 3.39Å; I96-E100 PolarHBondContact O-N 2.85Å |
| 97 | F | 98.6 | Very high | 98.2 | Very high | 120 Ų | 120 | 85.3 Ų | 85.3 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -36.4 | 179.3 | 179 | -110.6 | 0 | 0 | 0 | 112.8 | A93 E94 Y95 Q101 | A93-F97 WeakPolarHBondContact O-CB 3.34Å; A93-F97 PolarHBondContact O-N 2.89Å; E94-F97 PolarHBondContact O-N 2.7Å; Y95-F97 VanDerWaalsContact C-N 3.33Å; Y95-F97 PolarHBondContact O-N 2.94Å; F97-Q101 HydrophobicContact CE1-CG 4.45Å; F97-Q101 HydrophobicContact CE2-CG 4.39Å; F97-Q101 HydrophobicContact CZ-CG 4.22Å; F97-Q101 WeakPolarHBondContact O-CG 3.26Å; F97-Q101 PolarHBondContact O-N 3.26Å; F97-Q101 VanDerWaalsContact O-N 3.14Å; F97-Q101 PolarHBondContact O-NE2 2.91Å; F97-Q101 VanDerWaalsContact O-NE2 3.11Å |
| 98 | T | 98.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 90.1 Ų | 90.1 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.2 | -46 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | E94 Y95 I96 E100 Q101 E102 | E94-T98 PolarHBondContact O-N 3.44Å; E94-T98 PolarHBondContact O-OG1 2.89Å; Y95-T98 PolarHBondContact O-N 3.39Å; I96-T98 VanDerWaalsContact C-N 3.27Å; I96-T98 PolarHBondContact O-N 3.49Å; T98-E100 VanDerWaalsContact C-N 3.29Å; T98-E100 PolarHBondContact O-N 3.22Å; T98-Q101 PolarHBondContact O-N 3.01Å; T98-E102 WeakPolarHBondContact O-CB 3.39Å; T98-E102 PolarHBondContact O-N 2.65Å |
| 99 | L | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 94 Ų | 94 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 176.4 | -72.1 | 174.5 | 0 | 0 | 0 | 112.1 | Y95 I96 E102 K103 | Y95-L99 HydrophobicContact CD1-CD1 3.98Å; Y95-L99 HydrophobicContact CD2-CG 4.34Å; Y95-L99 HydrophobicContact CE1-CD1 3.63Å; Y95-L99 HydrophobicContact CE1-CG 4.32Å; Y95-L99 HydrophobicContact CE2-CD1 4.23Å; Y95-L99 HydrophobicContact CE2-CD2 4.13Å; Y95-L99 HydrophobicContact CE2-CG 4.01Å; Y95-L99 HydrophobicContact CG-CD1 4.43Å; Y95-L99 WeakPolarHBondContact O-CG 3.35Å; Y95-L99 PolarHBondContact O-N 3.31Å; I96-L99 PolarHBondContact O-N 3.48Å; L99-E102 PolarHBondContact O-N 2.88Å; L99-K103 VanDerWaalsContact O-CB 3.3Å; L99-K103 WeakPolarHBondContact O-CB 3.45Å; L99-K103 PolarHBondContact O-N 3.34Å |
| 100 | E | 98.4 | Very high | 98.1 | Very high | 113 Ų | 113 | 93.4 Ų | 93.4 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177 | -74.3 | 178.6 | 158.2 | 0 | 0 | 112.7 | I96 T98 T104 | I96-E100 HydrophobicContact CG2-CG 4.34Å; I96-E100 WeakPolarHBondContact O-CG 3.39Å; I96-E100 PolarHBondContact O-N 2.85Å; T98-E100 VanDerWaalsContact C-N 3.29Å; T98-E100 PolarHBondContact O-N 3.22Å; E100-T104 PolarHBondContact O-N 2.9Å; E100-T104 VanDerWaalsContact O-N 3.1Å; E100-T104 PolarHBondContact O-OG1 3.42Å |
| 101 | Q | 98.3 | Very high | 98 | Very high | 103 Ų | 103 | 91.7 Ų | 91.7 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.3 | -73.5 | 174.3 | 97.2 | 0 | 0 | 111.4 | F97 T98 T104 R105 | F97-Q101 HydrophobicContact CE1-CG 4.45Å; F97-Q101 HydrophobicContact CE2-CG 4.39Å; F97-Q101 HydrophobicContact CZ-CG 4.22Å; F97-Q101 WeakPolarHBondContact O-CG 3.26Å; F97-Q101 PolarHBondContact O-N 3.26Å; F97-Q101 VanDerWaalsContact O-N 3.14Å; F97-Q101 PolarHBondContact O-NE2 2.91Å; F97-Q101 VanDerWaalsContact O-NE2 3.11Å; T98-Q101 PolarHBondContact O-N 3.01Å; Q101-T104 PolarHBondContact O-N 3.5Å; Q101-R105 PolarHBondContact O-N 3.45Å |
| 102 | E | 98 | Very high | 98 | Very high | 103 Ų | 103 | 94.7 Ų | 94.7 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 178.1 | -174.1 | 172.2 | -157.9 | 0 | 0 | 111.5 | T98 L99 T104 R105 L106 | T98-E102 WeakPolarHBondContact O-CB 3.39Å; T98-E102 PolarHBondContact O-N 2.65Å; L99-E102 PolarHBondContact O-N 2.88Å; E102-T104 VanDerWaalsContact C-N 3.3Å; E102-T104 PolarHBondContact O-N 3.39Å; E102-R105 WeakPolarHBondContact O-CB 3.37Å; E102-R105 PolarHBondContact O-N 3.19Å; E102-L106 HydrophobicContact CG-CD1 4.02Å; E102-L106 HydrophobicContact CG-CG 4.31Å; E102-L106 WeakPolarHBondContact O-CB 3.12Å; E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 2.9Å |
| 103 | K | 98.2 | Very high | 97.9 | Very high | 142 Ų | 142 | 98.1 Ų | 98.1 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -54.4 | -47.1 | 173 | 177.5 | -177.2 | 177.4 | 179.8 | 0 | 111.4 | L99 L106 L107 | L99-K103 VanDerWaalsContact O-CB 3.3Å; L99-K103 WeakPolarHBondContact O-CB 3.45Å; L99-K103 PolarHBondContact O-N 3.34Å; K103-L106 PolarHBondContact O-N 3.47Å; K103-L107 HydrophobicContact CG-CD1 4.15Å; K103-L107 WeakPolarHBondContact O-CB 3.42Å; K103-L107 VanDerWaalsContact O-CG 3.29Å; K103-L107 WeakPolarHBondContact O-CG 3.3Å; K103-L107 PolarHBondContact O-N 2.98Å |
| 104 | T | 98 | Very high | 97.7 | Very high | 75 Ų | 75 | 102.7 Ų | 102.7 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 179.6 | -58 | 0 | 0 | 0 | 0 | 111.3 | E100 Q101 E102 L107 Q108 | E100-T104 PolarHBondContact O-N 2.9Å; E100-T104 VanDerWaalsContact O-N 3.1Å; E100-T104 PolarHBondContact O-OG1 3.42Å; Q101-T104 PolarHBondContact O-N 3.5Å; E102-T104 VanDerWaalsContact C-N 3.3Å; E102-T104 PolarHBondContact O-N 3.39Å; T104-L107 PolarHBondContact O-N 3.5Å; T104-Q108 WeakPolarHBondContact O-CG 3.47Å; T104-Q108 PolarHBondContact O-N 3.29Å |
| 105 | R | 98.4 | Very high | 97.5 | Very high | 165 Ų | 165 | 105.5 Ų | 105.5 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -47 | 176 | -177.8 | -176.8 | 174.9 | -172.4 | -0.7 | 111.8 | Q101 E102 L107 Q108 Q109 | Q101-R105 PolarHBondContact O-N 3.45Å; E102-R105 WeakPolarHBondContact O-CB 3.37Å; E102-R105 PolarHBondContact O-N 3.19Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 2.87Å; R105-Q108 WeakPolarHBondContact O-CB 3.41Å; R105-Q108 PolarHBondContact O-N 3.15Å; R105-Q109 WeakPolarHBondContact O-CG 3.49Å; R105-Q109 PolarHBondContact O-N 3.38Å |
| 106 | L | 98.3 | Very high | 97.3 | Very high | 84 Ų | 84 | 104.5 Ų | 104.5 | 44% | 0.44 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 178.2 | -73.1 | 173.2 | 0 | 0 | 0 | 111.8 | E102 K103 Q109 N110 | E102-L106 HydrophobicContact CG-CD1 4.02Å; E102-L106 HydrophobicContact CG-CG 4.31Å; E102-L106 WeakPolarHBondContact O-CB 3.12Å; E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 2.9Å; K103-L106 PolarHBondContact O-N 3.47Å; L106-Q109 PolarHBondContact O-N 3.21Å; L106-N110 WeakPolarHBondContact O-CB 3.37Å; L106-N110 PolarHBondContact O-N 2.92Å; L106-N110 PolarHBondContact O-ND2 3.21Å |
| 107 | L | 97.9 | Very high | 96.9 | Very high | 96 Ų | 96 | 105.4 Ų | 105.4 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 174.2 | -76.1 | 171.3 | 0 | 0 | 0 | 112.3 | K103 T104 R105 N110 S111 | K103-L107 HydrophobicContact CG-CD1 4.15Å; K103-L107 WeakPolarHBondContact O-CB 3.42Å; K103-L107 VanDerWaalsContact O-CG 3.29Å; K103-L107 WeakPolarHBondContact O-CG 3.3Å; K103-L107 PolarHBondContact O-N 2.98Å; T104-L107 PolarHBondContact O-N 3.5Å; R105-L107 VanDerWaalsContact C-N 3.33Å; R105-L107 PolarHBondContact O-N 2.87Å; L107-N110 PolarHBondContact O-N 3.1Å; L107-S111 WeakPolarHBondContact O-CB 3.4Å; L107-S111 PolarHBondContact O-N 2.8Å; L107-S111 PolarHBondContact O-OG 3.5Å |
| 108 | Q | 97.3 | Very high | 96.5 | Very high | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -46 | 174.7 | -70.7 | 172.1 | -0.5 | 0 | 0 | 111.2 | T104 R105 N110 S111 Q112 | T104-Q108 WeakPolarHBondContact O-CG 3.47Å; T104-Q108 PolarHBondContact O-N 3.29Å; R105-Q108 WeakPolarHBondContact O-CB 3.41Å; R105-Q108 PolarHBondContact O-N 3.15Å; Q108-N110 PolarHBondContact O-N 3.26Å; Q108-S111 PolarHBondContact O-N 3.36Å; Q108-Q112 PolarHBondContact O-N 2.74Å |
| 109 | Q | 97.8 | Very high | 96 | Very high | 87 Ų | 87 | 108.6 Ų | 108.6 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.2 | -70.7 | -179.2 | -62.5 | 0 | 0 | 111.8 | R105 L106 S111 Q112 L113 | R105-Q109 WeakPolarHBondContact O-CG 3.49Å; R105-Q109 PolarHBondContact O-N 3.38Å; L106-Q109 PolarHBondContact O-N 3.21Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 3.4Å; Q109-Q112 WeakPolarHBondContact O-CB 3.5Å; Q109-Q112 PolarHBondContact O-N 3.42Å; Q109-L113 WeakPolarHBondContact O-CG 3.5Å; Q109-L113 PolarHBondContact O-N 3.45Å |
| 110 | N | 97.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 111.8 Ų | 111.8 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176 | -86.4 | -37.3 | 0 | 0 | 0 | 112.3 | L106 L107 Q108 Q112 L113 K114 | L106-N110 WeakPolarHBondContact O-CB 3.37Å; L106-N110 PolarHBondContact O-N 2.92Å; L106-N110 PolarHBondContact O-ND2 3.21Å; L107-N110 PolarHBondContact O-N 3.1Å; Q108-N110 PolarHBondContact O-N 3.26Å; N110-Q112 VanDerWaalsContact C-N 3.33Å; N110-Q112 PolarHBondContact O-N 3.28Å; N110-L113 PolarHBondContact O-N 3.26Å; N110-K114 WeakPolarHBondContact O-CB 3.49Å; N110-K114 VanDerWaalsContact O-CG 3.26Å; N110-K114 WeakPolarHBondContact O-CG 3.46Å; N110-K114 PolarHBondContact O-N 2.97Å |
| 111 | S | 96.5 | Very high | 94.6 | Very high | 72 Ų | 72 | 110.9 Ų | 110.9 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 176.4 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | L107 Q108 Q109 R115 | L107-S111 WeakPolarHBondContact O-CB 3.4Å; L107-S111 PolarHBondContact O-N 2.8Å; L107-S111 PolarHBondContact O-OG 3.5Å; Q108-S111 PolarHBondContact O-N 3.36Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 3.4Å; S111-R115 PolarHBondContact O-N 3.46Å; S111-R115 VanDerWaalsContact O-N 3.11Å |
| 112 | Q | 96.9 | Very high | 92.6 | Very high | 118 Ų | 118 | 108.9 Ų | 108.9 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -46.9 | 174.5 | -178.5 | -177.3 | -13.9 | 0 | 0 | 111.7 | Q108 Q109 N110 K114 R115 I116 | Q108-Q112 PolarHBondContact O-N 2.74Å; Q109-Q112 WeakPolarHBondContact O-CB 3.5Å; Q109-Q112 PolarHBondContact O-N 3.42Å; N110-Q112 VanDerWaalsContact C-N 3.33Å; N110-Q112 PolarHBondContact O-N 3.28Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.11Å; Q112-R115 WeakPolarHBondContact O-CB 3.4Å; Q112-R115 PolarHBondContact O-N 2.85Å; Q112-R115 VanDerWaalsContact O-N 3.15Å; Q112-I116 HydrophobicContact CG-CD1 4.1Å; Q112-I116 WeakPolarHBondContact O-CG1 3.29Å; Q112-I116 PolarHBondContact O-N 3.39Å |
| 113 | L | 95.6 | Very high | 90.5 | Very high | 94 Ų | 94 | 107.8 Ų | 107.8 | 49% | 0.492 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -42.5 | 177.8 | -70.7 | 172.9 | 0 | 0 | 0 | 111.4 | Q109 N110 R115 I116 I117 | Q109-L113 WeakPolarHBondContact O-CG 3.5Å; Q109-L113 PolarHBondContact O-N 3.45Å; N110-L113 PolarHBondContact O-N 3.26Å; L113-R115 VanDerWaalsContact C-N 3.3Å; L113-R115 PolarHBondContact O-N 2.88Å; L113-I116 PolarHBondContact O-N 3.15Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.4Å |
| 114 | K | 94.3 | Very high | 88 | Confident | 152 Ų | 152 | 105.6 Ų | 105.6 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57.7 | -42.1 | 173.4 | -76.7 | 178 | 179.6 | -172 | 0 | 112.2 | N110 Q112 I117 Q118 | N110-K114 WeakPolarHBondContact O-CB 3.49Å; N110-K114 VanDerWaalsContact O-CG 3.26Å; N110-K114 WeakPolarHBondContact O-CG 3.46Å; N110-K114 PolarHBondContact O-N 2.97Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.11Å; K114-I117 PolarHBondContact O-N 2.83Å; K114-Q118 WeakPolarHBondContact O-CB 3.36Å; K114-Q118 PolarHBondContact O-N 3.24Å |
| 115 | R | 94.3 | Very high | 85.7 | Confident | 162 Ų | 162 | 108.2 Ų | 108.2 | 61% | 0.611 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.3 | -46.5 | 175.2 | -171.9 | -174.3 | -61 | 166.7 | 1.4 | 111.5 | S111 Q112 L113 I117 Q118 E119 | S111-R115 PolarHBondContact O-N 3.46Å; S111-R115 VanDerWaalsContact O-N 3.11Å; Q112-R115 WeakPolarHBondContact O-CB 3.4Å; Q112-R115 PolarHBondContact O-N 2.85Å; Q112-R115 VanDerWaalsContact O-N 3.15Å; L113-R115 VanDerWaalsContact C-N 3.3Å; L113-R115 PolarHBondContact O-N 2.88Å; R115-I117 VanDerWaalsContact C-N 3.34Å; R115-I117 PolarHBondContact O-N 3.42Å; R115-Q118 WeakPolarHBondContact O-CB 3.3Å; R115-Q118 PolarHBondContact O-N 2.94Å; R115-E119 WeakPolarHBondContact CG-OE1 3.39Å; R115-E119 WeakPolarHBondContact O-CG 3.5Å; R115-E119 PolarHBondContact O-N 3.49Å |
| 116 | I | 93.4 | Very high | 83.1 | Confident | 65 Ų | 65 | 109.4 Ų | 109.4 | 33% | 0.333 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.1 | -43.9 | 178.1 | -67 | 166.6 | 0 | 0 | 0 | 110.7 | Q112 L113 Q118 E119 L120 | Q112-I116 HydrophobicContact CG-CD1 4.1Å; Q112-I116 WeakPolarHBondContact O-CG1 3.29Å; Q112-I116 PolarHBondContact O-N 3.39Å; L113-I116 PolarHBondContact O-N 3.15Å; I116-Q118 VanDerWaalsContact C-N 3.34Å; I116-Q118 PolarHBondContact O-N 3.5Å; I116-E119 PolarHBondContact O-N 2.84Å; I116-L120 HydrophobicContact CG2-CD1 3.71Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CB 3.41Å; I116-L120 VanDerWaalsContact O-CG 3.27Å; I116-L120 WeakPolarHBondContact O-CG 3.3Å; I116-L120 PolarHBondContact O-N 2.96Å |
| 117 | I | 91.1 | Very high | 80.6 | Confident | 102 Ų | 102 | 116.8 Ų | 116.8 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.3 | -42.7 | 176.7 | -68.8 | 166.1 | 0 | 0 | 0 | 110.7 | L113 K114 R115 E119 L120 S121 | L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.4Å; K114-I117 PolarHBondContact O-N 2.83Å; R115-I117 VanDerWaalsContact C-N 3.34Å; R115-I117 PolarHBondContact O-N 3.42Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 3.21Å; I117-L120 PolarHBondContact O-N 2.94Å; I117-S121 WeakPolarHBondContact O-CB 3.15Å; I117-S121 PolarHBondContact O-N 3.28Å; I117-S121 PolarHBondContact O-OG 2.75Å |
| 118 | Q | 89.3 | Confident | 78 | Confident | 123 Ų | 123 | 124.1 Ų | 124.1 | 58% | 0.575 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.5 | -39.9 | 176.9 | -174.8 | 171.8 | 29.6 | 0 | 0 | 112.3 | K114 R115 I116 | K114-Q118 WeakPolarHBondContact O-CB 3.36Å; K114-Q118 PolarHBondContact O-N 3.24Å; R115-Q118 WeakPolarHBondContact O-CB 3.3Å; R115-Q118 PolarHBondContact O-N 2.94Å; I116-Q118 VanDerWaalsContact C-N 3.34Å; I116-Q118 PolarHBondContact O-N 3.5Å |
| 119 | E | 87.9 | Confident | 75.6 | Confident | 137 Ų | 137 | 129.9 Ų | 129.9 | 64% | 0.64 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.5 | -41.7 | 175.3 | -74.1 | 173.5 | -168.9 | 0 | 0 | 111.9 | R115 I116 I117 | R115-E119 WeakPolarHBondContact CG-OE1 3.39Å; R115-E119 WeakPolarHBondContact O-CG 3.5Å; R115-E119 PolarHBondContact O-N 3.49Å; I116-E119 PolarHBondContact O-N 2.84Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 3.21Å |
| 120 | L | 86.5 | Confident | 73.1 | Confident | 141 Ų | 141 | 130.5 Ų | 130.5 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.8 | -30.3 | 179.1 | -68.8 | 171.8 | 0 | 0 | 0 | 113.5 | I116 I117 G122 | I116-L120 HydrophobicContact CG2-CD1 3.71Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CB 3.41Å; I116-L120 VanDerWaalsContact O-CG 3.27Å; I116-L120 WeakPolarHBondContact O-CG 3.3Å; I116-L120 PolarHBondContact O-N 2.96Å; I117-L120 PolarHBondContact O-N 2.94Å; L120-G122 PolarHBondContact O-N 3.1Å |
| 121 | S | 80.6 | Confident | 70.7 | Confident | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 7.2 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | I117 S123 | I117-S121 WeakPolarHBondContact O-CB 3.15Å; I117-S121 PolarHBondContact O-N 3.28Å; I117-S121 PolarHBondContact O-OG 2.75Å; S121-S123 PolarHBondContact O-N 3.02Å |
| 122 | G | 57.7 | Low | 68.3 | Low | 60 Ų | 60 | 141.4 Ų | 141.4 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.2 | 10.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L120 S124 | L120-G122 PolarHBondContact O-N 3.1Å; G122-S124 PolarHBondContact O-N 2.78Å |
| 123 | S | 53.4 | Low | 66.3 | Low | 81 Ų | 81 | 144.8 Ų | 144.8 | 57% | 0.566 | 71% | 0.714 | S | S | * | * | trans | -77.5 | 71.9 | 168.6 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | S121 P125 | S121-S123 PolarHBondContact O-N 3.02Å; S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.45Å | ||
| 124 | S | 45.1 | Very low | 64.6 | Low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -67.1 | 119.5 | 168.6 | -166.6 | 0 | 0 | 0 | 0 | 109.6 | G122 K126 | G122-S124 PolarHBondContact O-N 2.78Å; S124-K126 PolarHBondContact O-N 3.06Å | ||
| 125 | P | 50.6 | Low | 62.8 | Low | 131 Ų | 131 | 149.6 Ų | 149.6 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 25 | -175.1 | -20.2 | 33.2 | 0 | 0 | 0 | 116.3 | S123 | S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.45Å |
| 126 | K | 42.3 | Very low | 60.7 | Low | 189 Ų | 189 | 144.9 Ų | 144.9 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 10.8 | -163.6 | -119.8 | 166.1 | -176.5 | 172.5 | 0 | 118 | S124 | S124-K126 PolarHBondContact O-N 3.06Š|
| 127 | R | 46.1 | Very low | 58.3 | Low | 239 Ų | 239 | 149.3 Ų | 149.3 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -136.9 | 70.2 | 170.2 | -72.5 | -175.5 | 74.2 | -167.6 | 2.7 | 112.7 | ||||
| 128 | R | 43.7 | Very low | 56.1 | Low | 251 Ų | 251 | 148.4 Ų | 148.4 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | trans | -141.8 | 61.6 | 154.6 | -68.4 | -166.1 | -175.9 | 176.2 | 1.7 | 110.1 | ||||
| 129 | R | 48.1 | Very low | 53.9 | Low | 250 Ų | 250 | 146 Ų | 146 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -140.4 | 80 | 155.9 | -84.3 | -153.1 | -174.9 | -175.1 | 3.7 | 107.8 | ||||
| 130 | A | 45.3 | Very low | 52.1 | Low | 99 Ų | 99 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -167.1 | 120.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 106 | ||
| 131 | E | 46.4 | Very low | 50.2 | Low | 197 Ų | 197 | 143.3 Ų | 143.3 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -31.1 | 133.6 | 179.1 | -64 | 162.8 | 126 | 0 | 0 | 115.7 | ||||
| 132 | E | 46.8 | Very low | 49.1 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | -152.8 | 156.2 | 124.1 | -152.8 | 169.9 | -178.7 | 0 | 0 | 109.1 | |||||
| 133 | K | 54 | Low | 49 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -79.5 | 150.1 | -148.3 | -61.3 | 174.6 | 171.8 | -178.5 | 0 | 113.5 | E135 | K133-E135 PolarHBondContact O-N 3.24Š| ||
| 134 | D | 58.9 | Low | 49.1 | Very low | 154 Ų | 154 | 151 Ų | 151 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 43.2 | 75.8 | 132.4 | -165.8 | 29.4 | 0 | 0 | 0 | 116.6 | ||||
| 135 | E | 57.2 | Low | 49.8 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | -136.1 | 123.8 | 129.5 | -73.6 | -152.3 | 161.1 | 0 | 0 | 108.2 | K133 | K133-E135 PolarHBondContact O-N 3.24Š| |||
| 136 | G | 51.4 | Low | 50.5 | Low | 63 Ų | 63 | 152 Ų | 152 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -62.7 | 162.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 137 | I | 42.9 | Very low | 52 | Low | 157 Ų | 157 | 149.4 Ų | 149.4 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | 74.5 | 62.4 | 164.8 | -20.1 | -176.4 | 0 | 0 | 0 | 115.7 | S139 | I137-S139 VanDerWaalsContact C-N 3.28Å; I137-S139 PolarHBondContact O-N 3.44Å | ||
| 138 | G | 43 | Very low | 53.4 | Low | 84 Ų | 84 | 140.5 Ų | 140.5 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | trans | -70.8 | 84.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 139 | S | 44.8 | Very low | 55.2 | Low | 71 Ų | 71 | 132 Ų | 132 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | trans | -66.3 | 146.9 | 169.5 | -75.2 | 0 | 0 | 0 | 0 | 111.2 | I137 D141 | I137-S139 VanDerWaalsContact C-N 3.28Å; I137-S139 PolarHBondContact O-N 3.44Å; S139-D141 PolarHBondContact O-N 3.03Å | ||
| 140 | P | 48.5 | Very low | 56.9 | Low | 130 Ų | 130 | 124 Ų | 124 | 84% | 0.844 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -68.7 | 31.7 | 176 | -17.2 | 31.5 | 0 | 0 | 0 | 116 | ||
| 141 | D | 47.2 | Very low | 59 | Low | 92 Ų | 92 | 123.8 Ų | 123.8 | 49% | 0.492 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | -0.2 | -157.2 | -131.2 | 15.6 | 0 | 0 | 0 | 115.7 | S139 L143 E144 E145 | S139-D141 PolarHBondContact O-N 3.03Å; D141-L143 PolarHBondContact O-N 2.92Å; D141-E144 PolarHBondContact O-N 3.05Å; D141-E144 VanDerWaalsContact O-N 3.07Å; D141-E144 WeakPolarHBondContact OD1-CB 3.47Å; D141-E144 WeakPolarHBondContact OD1-CG 3.42Å; D141-E145 PolarHBondContact O-N 2.87Å |
| 142 | I | 58.1 | Low | 61.2 | Low | 140 Ų | 140 | 120.7 Ų | 120.7 | 72% | 0.718 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.5 | -31 | -175.1 | -49 | 171.3 | 0 | 0 | 0 | 111.5 | E146 | I142-E146 PolarHBondContact O-N 2.96Å |
| 143 | L | 54.7 | Low | 63.4 | Low | 138 Ų | 138 | 117.7 Ų | 117.7 | 72% | 0.723 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.5 | -32.6 | 175.7 | -94.7 | 155 | 0 | 0 | 0 | 113.1 | D141 K147 | D141-L143 PolarHBondContact O-N 2.92Å; L143-K147 WeakPolarHBondContact O-CB 3.47Å; L143-K147 PolarHBondContact O-N 3.01Å |
| 144 | E | 55.2 | Low | 65.2 | Low | 120 Ų | 120 | 113.7 Ų | 113.7 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.8 | -40.4 | 175.9 | -73 | -107.1 | 148.9 | 0 | 0 | 109.9 | D141 K147 T148 | D141-E144 PolarHBondContact O-N 3.05Å; D141-E144 VanDerWaalsContact O-N 3.07Å; D141-E144 WeakPolarHBondContact OD1-CB 3.47Å; D141-E144 WeakPolarHBondContact OD1-CG 3.42Å; E144-K147 PolarHBondContact O-N 3.07Å; E144-T148 VanDerWaalsContact O-CG2 3.3Å; E144-T148 WeakPolarHBondContact O-CG2 3.44Å; E144-T148 PolarHBondContact O-N 2.85Å |
| 145 | E | 60.6 | Low | 67 | Low | 128 Ų | 128 | 110.5 Ų | 110.5 | 60% | 0.598 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.4 | -45.5 | 177.4 | -166.1 | 167.3 | -157.2 | 0 | 0 | 111.8 | D141 K147 T148 E149 | D141-E145 PolarHBondContact O-N 2.87Å; E145-K147 VanDerWaalsContact C-N 3.33Å; E145-K147 PolarHBondContact O-N 3.31Å; E145-T148 PolarHBondContact O-N 2.67Å; E145-T148 VanDerWaalsContact O-N 3.15Å; E145-T148 PolarHBondContact O-OG1 3.28Å; E145-E149 WeakPolarHBondContact O-CG 3.35Å; E145-E149 PolarHBondContact O-N 3.2Å |
| 146 | E | 65.1 | Low | 68.8 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.5 | -42.3 | 175.1 | -172.9 | 175.6 | -163.1 | 0 | 0 | 112.2 | I142 T148 E149 D150 | I142-E146 PolarHBondContact O-N 2.96Å; E146-T148 PolarHBondContact O-N 3.36Å; E146-E149 PolarHBondContact O-N 2.87Å; E146-D150 PolarHBondContact O-N 3.07Å |
| 147 | K | 73.6 | Confident | 70.9 | Confident | 135 Ų | 135 | 110.1 Ų | 110.1 | 59% | 0.587 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.2 | -36.9 | 176.2 | -172.1 | -179.1 | 178.3 | -171 | 0 | 112.3 | L143 E144 E145 E149 D150 L151 | L143-K147 WeakPolarHBondContact O-CB 3.47Å; L143-K147 PolarHBondContact O-N 3.01Å; E144-K147 PolarHBondContact O-N 3.07Å; E145-K147 VanDerWaalsContact C-N 3.33Å; E145-K147 PolarHBondContact O-N 3.31Å; K147-E149 VanDerWaalsContact C-N 3.34Å; K147-D150 PolarHBondContact O-N 3.27Å; K147-L151 WeakPolarHBondContact O-CG 3.36Å; K147-L151 PolarHBondContact O-N 3.16Å |
| 148 | T | 75.5 | Confident | 73.4 | Confident | 53 Ų | 53 | 107.7 Ų | 107.7 | 33% | 0.325 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.8 | -35.6 | 174.6 | 65 | 0 | 0 | 0 | 0 | 111.9 | E144 E145 E146 L151 R152 | E144-T148 VanDerWaalsContact O-CG2 3.3Å; E144-T148 WeakPolarHBondContact O-CG2 3.44Å; E144-T148 PolarHBondContact O-N 2.85Å; E145-T148 PolarHBondContact O-N 2.67Å; E145-T148 VanDerWaalsContact O-N 3.15Å; E145-T148 PolarHBondContact O-OG1 3.28Å; E146-T148 PolarHBondContact O-N 3.36Å; T148-L151 PolarHBondContact O-N 3.31Å; T148-R152 WeakPolarHBondContact O-CG 3.01Å; T148-R152 PolarHBondContact O-N 3.08Å; T148-R152 PolarHBondContact OG1-NH1 3.35Å |
| 149 | E | 81.2 | Confident | 75.9 | Confident | 73 Ų | 73 | 111.7 Ų | 111.7 | 34% | 0.341 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 174.6 | -74.9 | -58.3 | 127.8 | 0 | 0 | 112.1 | E145 E146 K147 R152 R153 | E145-E149 WeakPolarHBondContact O-CG 3.35Å; E145-E149 PolarHBondContact O-N 3.2Å; E146-E149 PolarHBondContact O-N 2.87Å; K147-E149 VanDerWaalsContact C-N 3.34Å; E149-R152 PolarHBondContact O-N 3.39Å; E149-R152 IonicContact OE1-CZ 3.64Å; E149-R152 IonicContact OE1-NE 3.95Å; E149-R152 IonicContact OE1-NH1 2.7Å; E149-R152 PolarHBondContact OE1-NH1 3.45Å; E149-R153 WeakPolarHBondContact O-CG 3.3Å; E149-R153 PolarHBondContact O-N 3.34Å |
| 150 | D | 84.1 | Confident | 78.3 | Confident | 80 Ų | 80 | 113.6 Ų | 113.6 | 43% | 0.428 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 171.4 | -79.5 | -25.8 | 0 | 0 | 0 | 112.1 | E146 K147 R152 R153 E154 | E146-D150 PolarHBondContact O-N 3.07Å; K147-D150 PolarHBondContact O-N 3.27Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 2.87Å; D150-R153 WeakPolarHBondContact O-CB 3.33Å; D150-R153 PolarHBondContact O-N 2.94Å; D150-R153 IonicContact OD1-CZ 3.31Å; D150-R153 VanDerWaalsContact OD1-CZ 3.31Å; D150-R153 IonicContact OD1-NE 3.16Å; D150-R153 PolarHBondContact OD1-NE 3.04Å; D150-R153 VanDerWaalsContact OD1-NE 3.16Å; D150-R153 IonicContact OD1-NH2 2.65Å; D150-R153 PolarHBondContact OD1-NH2 3.1Å; D150-E154 PolarHBondContact O-N 3.25Å |
| 151 | L | 90.4 | Very high | 80.6 | Confident | 96 Ų | 96 | 112.9 Ų | 112.9 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 175.2 | -74 | 169.2 | 0 | 0 | 0 | 111.9 | K147 T148 M155 | K147-L151 WeakPolarHBondContact O-CG 3.36Å; K147-L151 PolarHBondContact O-N 3.16Å; T148-L151 PolarHBondContact O-N 3.31Å; L151-M155 VanDerWaalsContact O-CB 3.23Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 PolarHBondContact O-N 3.22Å |
| 152 | R | 91.5 | Very high | 83 | Confident | 131 Ų | 131 | 112.4 Ų | 112.4 | 49% | 0.494 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.7 | -77.8 | -179.8 | -175.3 | 107.7 | 8.3 | 111.4 | T148 E149 D150 M155 I156 | T148-R152 WeakPolarHBondContact O-CG 3.01Å; T148-R152 PolarHBondContact O-N 3.08Å; T148-R152 PolarHBondContact OG1-NH1 3.35Å; E149-R152 PolarHBondContact O-N 3.39Å; E149-R152 IonicContact OE1-CZ 3.64Å; E149-R152 IonicContact OE1-NE 3.95Å; E149-R152 IonicContact OE1-NH1 2.7Å; E149-R152 PolarHBondContact OE1-NH1 3.45Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 2.87Å; R152-M155 PolarHBondContact O-N 3.19Å; R152-I156 VanDerWaalsContact O-CG1 3.3Å; R152-I156 WeakPolarHBondContact O-CG1 3.48Å; R152-I156 PolarHBondContact O-N 2.65Å |
| 153 | R | 93.6 | Very high | 84.8 | Confident | 126 Ų | 126 | 110.7 Ų | 110.7 | 48% | 0.475 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 175.6 | -75.7 | -176.8 | -82 | -88.9 | 9.4 | 111.5 | E149 D150 M155 I156 E157 | E149-R153 WeakPolarHBondContact O-CG 3.3Å; E149-R153 PolarHBondContact O-N 3.34Å; D150-R153 WeakPolarHBondContact O-CB 3.33Å; D150-R153 PolarHBondContact O-N 2.94Å; D150-R153 IonicContact OD1-CZ 3.31Å; D150-R153 VanDerWaalsContact OD1-CZ 3.31Å; D150-R153 IonicContact OD1-NE 3.16Å; D150-R153 PolarHBondContact OD1-NE 3.04Å; D150-R153 VanDerWaalsContact OD1-NE 3.16Å; D150-R153 IonicContact OD1-NH2 2.65Å; D150-R153 PolarHBondContact OD1-NH2 3.1Å; R153-M155 VanDerWaalsContact C-N 3.31Å; R153-M155 PolarHBondContact O-N 3.45Å; R153-I156 PolarHBondContact O-N 3.47Å; R153-E157 PolarHBondContact O-N 3.21Å |
| 154 | E | 92.5 | Very high | 86.8 | Confident | 107 Ų | 107 | 109 Ų | 109 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 178 | -171.9 | -179.9 | -174.5 | 0 | 0 | 111.4 | D150 I156 E157 L158 | D150-E154 PolarHBondContact O-N 3.25Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 PolarHBondContact O-N 2.79Å; E154-E157 PolarHBondContact O-N 3.45Å; E154-L158 HydrophobicContact CG-CD1 4.17Å; E154-L158 HydrophobicContact CG-CG 4.45Å; E154-L158 WeakPolarHBondContact O-CB 3.35Å; E154-L158 WeakPolarHBondContact O-CG 3.44Å; E154-L158 PolarHBondContact O-N 2.91Å |
| 155 | M | 95.1 | Very high | 88.8 | Confident | 87 Ų | 87 | 108.4 Ų | 108.4 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 178.7 | -160.2 | -88 | -70.4 | 0 | 0 | 112.4 | L151 R152 R153 R159 | L151-M155 VanDerWaalsContact O-CB 3.23Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 PolarHBondContact O-N 3.22Å; R152-M155 PolarHBondContact O-N 3.19Å; R153-M155 VanDerWaalsContact C-N 3.31Å; R153-M155 PolarHBondContact O-N 3.45Å; M155-R159 VanDerWaalsContact O-CG 3.3Å; M155-R159 WeakPolarHBondContact O-CG 3.34Å; M155-R159 PolarHBondContact O-N 3.19Å; M155-R159 HydrophobicContact SD-CG 4.33Å; M155-R159 PolarHBondContact SD-NE 2.97Å; M155-R159 PolarHBondContact SD-NH2 2.89Å; M155-R159 VanDerWaalsContact SD-NH2 3.42Å |
| 156 | I | 95.4 | Very high | 90.6 | Very high | 109 Ų | 109 | 109.4 Ų | 109.4 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.3 | -43 | 173.2 | -67.2 | 163.8 | 0 | 0 | 0 | 110.8 | R152 R153 E154 R159 Q160 | R152-I156 VanDerWaalsContact O-CG1 3.3Å; R152-I156 WeakPolarHBondContact O-CG1 3.48Å; R152-I156 PolarHBondContact O-N 2.65Å; R153-I156 PolarHBondContact O-N 3.47Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 PolarHBondContact O-N 2.79Å; I156-R159 WeakPolarHBondContact O-CB 3.36Å; I156-R159 PolarHBondContact O-N 3.38Å; I156-Q160 PolarHBondContact O-N 3.07Å |
| 157 | E | 95.4 | Very high | 92.1 | Very high | 138 Ų | 138 | 107.3 Ų | 107.3 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 178.4 | -174.3 | 172.7 | -172 | 0 | 0 | 111.8 | R153 E154 R159 Q160 Q161 | R153-E157 PolarHBondContact O-N 3.21Å; E154-E157 PolarHBondContact O-N 3.45Å; E157-R159 VanDerWaalsContact C-N 3.31Å; E157-R159 PolarHBondContact O-N 3.27Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.18Å; E157-Q160 VanDerWaalsContact O-N 3.09Å; E157-Q161 PolarHBondContact O-N 3.22Å |
| 158 | L | 96.8 | Very high | 93.2 | Very high | 107 Ų | 107 | 104.4 Ų | 104.4 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -39.6 | 175.9 | -73.2 | 172.9 | 0 | 0 | 0 | 112.1 | E154 Q161 L162 | E154-L158 HydrophobicContact CG-CD1 4.17Å; E154-L158 HydrophobicContact CG-CG 4.45Å; E154-L158 WeakPolarHBondContact O-CB 3.35Å; E154-L158 WeakPolarHBondContact O-CG 3.44Å; E154-L158 PolarHBondContact O-N 2.91Å; L158-Q161 PolarHBondContact O-N 3.14Å; L158-L162 WeakPolarHBondContact O-CB 3.49Å; L158-L162 PolarHBondContact O-N 2.96Å |
| 159 | R | 94.1 | Very high | 94.2 | Very high | 167 Ų | 167 | 108.8 Ų | 108.8 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 173.1 | -77.2 | 179.3 | -173.8 | -131 | 4.8 | 111.9 | M155 I156 E157 Q161 L162 E163 | M155-R159 VanDerWaalsContact O-CG 3.3Å; M155-R159 WeakPolarHBondContact O-CG 3.34Å; M155-R159 PolarHBondContact O-N 3.19Å; M155-R159 HydrophobicContact SD-CG 4.33Å; M155-R159 PolarHBondContact SD-NE 2.97Å; M155-R159 PolarHBondContact SD-NH2 2.89Å; M155-R159 VanDerWaalsContact SD-NH2 3.42Å; I156-R159 WeakPolarHBondContact O-CB 3.36Å; I156-R159 PolarHBondContact O-N 3.38Å; E157-R159 VanDerWaalsContact C-N 3.31Å; E157-R159 PolarHBondContact O-N 3.27Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 2.9Å; R159-L162 PolarHBondContact O-N 2.95Å; R159-E163 PolarHBondContact O-N 3.25Å |
| 160 | Q | 96.2 | Very high | 95 | Very high | 111 Ų | 111 | 110.5 Ų | 110.5 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 178.2 | -166.4 | -177.4 | 98.8 | 0 | 0 | 111.3 | I156 E157 E163 K164 | I156-Q160 PolarHBondContact O-N 3.07Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.18Å; E157-Q160 VanDerWaalsContact O-N 3.09Å; Q160-E163 PolarHBondContact O-N 3.28Å; Q160-K164 WeakPolarHBondContact O-CG 3.3Å; Q160-K164 PolarHBondContact O-N 3.42Å |
| 161 | Q | 96.1 | Very high | 95.6 | Very high | 116 Ų | 116 | 111.2 Ų | 111.2 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.1 | -166.5 | 66.4 | -0.9 | 0 | 0 | 112.1 | E157 L158 R159 E163 K164 E165 | E157-Q161 PolarHBondContact O-N 3.22Å; L158-Q161 PolarHBondContact O-N 3.14Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 2.9Å; Q161-E163 VanDerWaalsContact C-N 3.31Å; Q161-E163 PolarHBondContact O-N 3.08Å; Q161-K164 PolarHBondContact O-N 3.32Å; Q161-E165 PolarHBondContact O-N 2.98Å |
| 162 | L | 97.3 | Very high | 95.9 | Very high | 81 Ų | 81 | 110.7 Ų | 110.7 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 174.7 | -174.2 | 70.4 | 0 | 0 | 0 | 111.7 | L158 R159 E165 R166 | L158-L162 WeakPolarHBondContact O-CB 3.49Å; L158-L162 PolarHBondContact O-N 2.96Å; R159-L162 PolarHBondContact O-N 2.95Å; L162-E165 PolarHBondContact O-N 2.99Å; L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 WeakPolarHBondContact O-CG 3.49Å; L162-R166 PolarHBondContact O-N 3.47Å |
| 163 | E | 97.2 | Very high | 96.1 | Very high | 104 Ų | 104 | 108.1 Ų | 108.1 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 178.3 | -165.8 | 57.7 | -144.8 | 0 | 0 | 112 | R159 Q160 Q161 R166 T167 | R159-E163 PolarHBondContact O-N 3.25Å; Q160-E163 PolarHBondContact O-N 3.28Å; Q161-E163 VanDerWaalsContact C-N 3.31Å; Q161-E163 PolarHBondContact O-N 3.08Å; E163-R166 PolarHBondContact O-N 2.9Å; E163-R166 IonicContact OE2-NH1 3.92Å; E163-T167 WeakPolarHBondContact O-CB 3.34Å; E163-T167 PolarHBondContact O-N 2.62Å; E163-T167 PolarHBondContact O-OG1 3.36Å |
| 164 | K | 96.4 | Very high | 96.2 | Very high | 104 Ų | 104 | 106 Ų | 106 | 45% | 0.452 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 171.5 | -71.6 | 170.7 | -173.9 | 162.9 | 0 | 111.1 | Q160 Q161 T167 V168 | Q160-K164 WeakPolarHBondContact O-CG 3.3Å; Q160-K164 PolarHBondContact O-N 3.42Å; Q161-K164 PolarHBondContact O-N 3.32Å; K164-T167 PolarHBondContact O-N 2.92Å; K164-V168 WeakPolarHBondContact O-CG2 3.41Å; K164-V168 PolarHBondContact O-N 2.86Å |
| 165 | E | 97 | Very high | 96.4 | Very high | 106 Ų | 106 | 105.9 Ų | 105.9 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 178.2 | -168.1 | -165.3 | 154.5 | 0 | 0 | 111.4 | Q161 L162 T167 V168 R169 | Q161-E165 PolarHBondContact O-N 2.98Å; L162-E165 PolarHBondContact O-N 2.99Å; E165-T167 VanDerWaalsContact C-N 3.32Å; E165-T167 PolarHBondContact O-N 3.37Å; E165-V168 PolarHBondContact O-N 3.46Å; E165-R169 VanDerWaalsContact O-CB 3.28Å; E165-R169 WeakPolarHBondContact O-CB 3.35Å; E165-R169 PolarHBondContact O-N 2.91Å; E165-R169 IonicContact OE1-NH2 3.87Å |
| 166 | R | 97.4 | Very high | 96.4 | Very high | 150 Ų | 150 | 107.4 Ų | 107.4 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.9 | -44.8 | 175.9 | -77.8 | 174.8 | 175.9 | 178.2 | -2.3 | 112 | L162 E163 R169 M170 | L162-R166 WeakPolarHBondContact O-CB 3.49Å; L162-R166 WeakPolarHBondContact O-CG 3.49Å; L162-R166 PolarHBondContact O-N 3.47Å; E163-R166 PolarHBondContact O-N 2.9Å; E163-R166 IonicContact OE2-NH1 3.92Å; R166-R169 PolarHBondContact O-N 3.31Å; R166-M170 WeakPolarHBondContact O-CB 3.46Å; R166-M170 PolarHBondContact O-N 3.03Å |
| 167 | T | 96.8 | Very high | 96.3 | Very high | 72 Ų | 72 | 108.8 Ų | 108.8 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | E163 K164 E165 M170 M171 | E163-T167 WeakPolarHBondContact O-CB 3.34Å; E163-T167 PolarHBondContact O-N 2.62Å; E163-T167 PolarHBondContact O-OG1 3.36Å; K164-T167 PolarHBondContact O-N 2.92Å; E165-T167 VanDerWaalsContact C-N 3.32Å; E165-T167 PolarHBondContact O-N 3.37Å; T167-M170 PolarHBondContact O-N 3.16Å; T167-M171 PolarHBondContact O-N 2.9Å |
| 168 | V | 97 | Very high | 96.3 | Very high | 74 Ų | 74 | 105.1 Ų | 105.1 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | K164 E165 M171 L172 | K164-V168 WeakPolarHBondContact O-CG2 3.41Å; K164-V168 PolarHBondContact O-N 2.86Å; E165-V168 PolarHBondContact O-N 3.46Å; V168-M171 PolarHBondContact O-N 3.31Å; V168-L172 HydrophobicContact CG1-CD1 4.03Å; V168-L172 HydrophobicContact CG1-CG 4.4Å; V168-L172 WeakPolarHBondContact O-CG 3.39Å; V168-L172 PolarHBondContact O-N 3.11Å |
| 169 | R | 97.7 | Very high | 96 | Very high | 145 Ų | 145 | 105.2 Ų | 105.2 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 176.6 | 179.2 | 176.7 | -73.6 | -126.2 | 2.8 | 111.1 | E165 R166 M171 L172 E173 | E165-R169 VanDerWaalsContact O-CB 3.28Å; E165-R169 WeakPolarHBondContact O-CB 3.35Å; E165-R169 PolarHBondContact O-N 2.91Å; E165-R169 IonicContact OE1-NH2 3.87Å; R166-R169 PolarHBondContact O-N 3.31Å; R169-M171 VanDerWaalsContact C-N 3.33Å; R169-M171 PolarHBondContact O-N 3.02Å; R169-L172 PolarHBondContact O-N 3.14Å; R169-E173 HydrophobicContact CG-CG 4.32Å; R169-E173 WeakPolarHBondContact CG-OE1 3.41Å; R169-E173 WeakPolarHBondContact O-CB 3.49Å; R169-E173 VanDerWaalsContact O-CG 3.32Å; R169-E173 WeakPolarHBondContact O-CG 3.38Å; R169-E173 PolarHBondContact O-N 2.99Å |
| 170 | M | 96.4 | Very high | 95.8 | Very high | 109 Ų | 109 | 101.8 Ų | 101.8 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 175.9 | -178.3 | 179.7 | 65.1 | 0 | 0 | 111.3 | R166 T167 L172 E173 D174 | R166-M170 WeakPolarHBondContact O-CB 3.46Å; R166-M170 PolarHBondContact O-N 3.03Å; T167-M170 PolarHBondContact O-N 3.16Å; M170-L172 PolarHBondContact O-N 3.36Å; M170-E173 PolarHBondContact O-N 3.1Å; M170-D174 PolarHBondContact O-N 3.31Å |
| 171 | M | 97.3 | Very high | 95.5 | Very high | 96 Ų | 96 | 99.7 Ų | 99.7 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 177.3 | -175.7 | -170.7 | 69.9 | 0 | 0 | 112.3 | T167 V168 R169 D174 Q175 | T167-M171 PolarHBondContact O-N 2.9Å; V168-M171 PolarHBondContact O-N 3.31Å; R169-M171 VanDerWaalsContact C-N 3.33Å; R169-M171 PolarHBondContact O-N 3.02Å; M171-D174 PolarHBondContact O-N 2.93Å; M171-Q175 WeakPolarHBondContact O-CG 3.4Å; M171-Q175 PolarHBondContact O-N 3.49Å |
| 172 | L | 96.5 | Very high | 95.2 | Very high | 84 Ų | 84 | 100.5 Ų | 100.5 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 178.2 | -71.8 | 174.9 | 0 | 0 | 0 | 112 | V168 R169 M170 D174 Q175 M176 | V168-L172 HydrophobicContact CG1-CD1 4.03Å; V168-L172 HydrophobicContact CG1-CG 4.4Å; V168-L172 WeakPolarHBondContact O-CG 3.39Å; V168-L172 PolarHBondContact O-N 3.11Å; R169-L172 PolarHBondContact O-N 3.14Å; M170-L172 PolarHBondContact O-N 3.36Å; L172-D174 VanDerWaalsContact C-N 3.3Å; L172-D174 PolarHBondContact O-N 2.91Å; L172-Q175 PolarHBondContact O-N 3.33Å; L172-M176 WeakPolarHBondContact O-CB 3.27Å; L172-M176 WeakPolarHBondContact O-CG 3.4Å; L172-M176 PolarHBondContact O-N 2.87Å |
| 173 | E | 96.3 | Very high | 94.7 | Very high | 77 Ų | 77 | 100.3 Ų | 100.3 | 36% | 0.36 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 175 | -74.8 | 178.2 | -169 | 0 | 0 | 111.8 | R169 M170 M176 R177 | R169-E173 HydrophobicContact CG-CG 4.32Å; R169-E173 WeakPolarHBondContact CG-OE1 3.41Å; R169-E173 WeakPolarHBondContact O-CB 3.49Å; R169-E173 VanDerWaalsContact O-CG 3.32Å; R169-E173 WeakPolarHBondContact O-CG 3.38Å; R169-E173 PolarHBondContact O-N 2.99Å; M170-E173 PolarHBondContact O-N 3.1Å; E173-M176 PolarHBondContact O-N 3Å; E173-R177 WeakPolarHBondContact O-CB 3.36Å; E173-R177 WeakPolarHBondContact O-CG 3.13Å; E173-R177 PolarHBondContact O-N 3.38Å; E173-R177 IonicContact OE2-NH1 3.86Å; E173-R177 IonicContact OE2-NH2 3.88Å |
| 174 | D | 96.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 102.7 Ų | 102.7 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 175 | -75.9 | -14.8 | 0 | 0 | 0 | 112.3 | M170 M171 L172 R177 S178 | M170-D174 PolarHBondContact O-N 3.31Å; M171-D174 PolarHBondContact O-N 2.93Å; L172-D174 VanDerWaalsContact C-N 3.3Å; L172-D174 PolarHBondContact O-N 2.91Å; D174-R177 PolarHBondContact O-N 3.15Å; D174-R177 IonicContact OD1-CZ 3.47Å; D174-R177 IonicContact OD1-NE 3.38Å; D174-R177 PolarHBondContact OD1-NE 3.36Å; D174-R177 IonicContact OD1-NH2 2.72Å; D174-R177 PolarHBondContact OD1-NH2 2.92Å; D174-S178 WeakPolarHBondContact O-CB 3.49Å; D174-S178 PolarHBondContact O-N 3.29Å |
| 175 | Q | 95.9 | Very high | 93.5 | Very high | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 172.1 | -74.4 | -179.2 | 3.8 | 0 | 0 | 111.7 | M171 L172 S178 L179 | M171-Q175 WeakPolarHBondContact O-CG 3.4Å; M171-Q175 PolarHBondContact O-N 3.49Å; L172-Q175 PolarHBondContact O-N 3.33Å; Q175-S178 PolarHBondContact O-N 2.9Å; Q175-L179 WeakPolarHBondContact O-CG 3.49Å; Q175-L179 PolarHBondContact O-N 3.23Å |
| 176 | M | 94.4 | Very high | 93 | Very high | 120 Ų | 120 | 101.8 Ų | 101.8 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -48.8 | 175.6 | -75.1 | -175.7 | 66.9 | 0 | 0 | 111.5 | L172 E173 S178 L179 D180 | L172-M176 WeakPolarHBondContact O-CB 3.27Å; L172-M176 WeakPolarHBondContact O-CG 3.4Å; L172-M176 PolarHBondContact O-N 2.87Å; E173-M176 PolarHBondContact O-N 3Å; M176-S178 VanDerWaalsContact C-N 3.28Å; M176-S178 PolarHBondContact O-N 3.48Å; M176-L179 PolarHBondContact O-N 2.94Å; M176-D180 WeakPolarHBondContact O-CB 3.28Å; M176-D180 PolarHBondContact O-N 2.96Å |
| 177 | R | 94.9 | Very high | 92.4 | Very high | 137 Ų | 137 | 100.1 Ų | 100.1 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 175.8 | -82.2 | -171.5 | -78.3 | -92.9 | 2 | 112.1 | E173 D174 A181 | E173-R177 WeakPolarHBondContact O-CB 3.36Å; E173-R177 WeakPolarHBondContact O-CG 3.13Å; E173-R177 PolarHBondContact O-N 3.38Å; E173-R177 IonicContact OE2-NH1 3.86Å; E173-R177 IonicContact OE2-NH2 3.88Å; D174-R177 PolarHBondContact O-N 3.15Å; D174-R177 IonicContact OD1-CZ 3.47Å; D174-R177 IonicContact OD1-NE 3.38Å; D174-R177 PolarHBondContact OD1-NE 3.36Å; D174-R177 IonicContact OD1-NH2 2.72Å; D174-R177 PolarHBondContact OD1-NH2 2.92Å; R177-A181 VanDerWaalsContact O-CB 3.32Å; R177-A181 WeakPolarHBondContact O-CB 3.34Å; R177-A181 PolarHBondContact O-N 3.16Å |
| 178 | S | 93.7 | Very high | 91.8 | Very high | 61 Ų | 61 | 101 Ų | 101 | 43% | 0.427 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 177.2 | -176 | 0 | 0 | 0 | 0 | 112.2 | D174 Q175 M176 A181 Q182 | D174-S178 WeakPolarHBondContact O-CB 3.49Å; D174-S178 PolarHBondContact O-N 3.29Å; Q175-S178 PolarHBondContact O-N 2.9Å; M176-S178 VanDerWaalsContact C-N 3.28Å; M176-S178 PolarHBondContact O-N 3.48Å; S178-A181 PolarHBondContact O-N 3.34Å; S178-Q182 WeakPolarHBondContact O-CG 3.36Å; S178-Q182 PolarHBondContact O-N 2.99Å |
| 179 | L | 91.4 | Very high | 91.3 | Very high | 109 Ų | 109 | 104.8 Ų | 104.8 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 176.3 | -74 | 172.2 | 0 | 0 | 0 | 111.9 | Q175 M176 A181 Q182 L183 | Q175-L179 WeakPolarHBondContact O-CG 3.49Å; Q175-L179 PolarHBondContact O-N 3.23Å; M176-L179 PolarHBondContact O-N 2.94Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-A181 PolarHBondContact O-N 3.43Å; L179-Q182 PolarHBondContact O-N 3.49Å; L179-L183 WeakPolarHBondContact O-CB 3.35Å; L179-L183 PolarHBondContact O-N 3.3Å |
| 180 | D | 89.1 | Confident | 90.8 | Very high | 95 Ų | 95 | 100.5 Ų | 100.5 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 175.5 | -81.8 | -29.5 | 0 | 0 | 0 | 111.2 | M176 Q182 L183 Y184 | M176-D180 WeakPolarHBondContact O-CB 3.28Å; M176-D180 PolarHBondContact O-N 2.96Å; D180-Q182 PolarHBondContact O-N 2.81Å; D180-L183 PolarHBondContact O-N 2.96Å; D180-Y184 WeakPolarHBondContact O-CB 3.46Å; D180-Y184 PolarHBondContact O-N 2.98Å |
| 181 | A | 90.1 | Very high | 90.4 | Very high | 67 Ų | 67 | 100 Ų | 100 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -31.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R177 S178 L179 P185 | R177-A181 VanDerWaalsContact O-CB 3.32Å; R177-A181 WeakPolarHBondContact O-CB 3.34Å; R177-A181 PolarHBondContact O-N 3.16Å; S178-A181 PolarHBondContact O-N 3.34Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-A181 PolarHBondContact O-N 3.43Å; A181-P185 WeakPolarHBondContact O-CD 3.19Å; A181-P185 WeakPolarHBondContact O-CG 3.49Å |
| 182 | Q | 89.7 | Confident | 90 | Very high | 134 Ų | 134 | 98.3 Ų | 98.3 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76.7 | -39.7 | 176.1 | -70.1 | 175.3 | 22.4 | 0 | 0 | 112.6 | S178 L179 D180 | S178-Q182 WeakPolarHBondContact O-CG 3.36Å; S178-Q182 PolarHBondContact O-N 2.99Å; L179-Q182 PolarHBondContact O-N 3.49Å; D180-Q182 PolarHBondContact O-N 2.81Å |
| 183 | L | 87.6 | Confident | 89.7 | Confident | 76 Ų | 76 | 100 Ų | 100 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -90.1 | -28.1 | -172 | -161.2 | 72.9 | 0 | 0 | 0 | 113.4 | L179 D180 E186 K187 | L179-L183 WeakPolarHBondContact O-CB 3.35Å; L179-L183 PolarHBondContact O-N 3.3Å; D180-L183 PolarHBondContact O-N 2.96Å; L183-E186 WeakPolarHBondContact O-CB 3.47Å; L183-E186 PolarHBondContact O-N 3.45Å; L183-E186 VanDerWaalsContact O-N 3.11Å; L183-K187 PolarHBondContact O-N 3.47Å |
| 184 | Y | 85.3 | Confident | 89.4 | Confident | 154 Ų | 154 | 102.3 Ų | 102.3 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | -178.2 | -166.8 | -100.7 | 0 | 0 | 0 | 113.4 | D180 E186 K187 L188 | D180-Y184 WeakPolarHBondContact O-CB 3.46Å; D180-Y184 PolarHBondContact O-N 2.98Å; Y184-E186 VanDerWaalsContact C-N 3.27Å; Y184-E186 PolarHBondContact O-N 3.13Å; Y184-K187 PolarHBondContact O-N 3.28Å; Y184-L188 HydrophobicContact CD1-CD1 3.54Å; Y184-L188 HydrophobicContact CD1-CG 4.36Å; Y184-L188 HydrophobicContact CE1-CD1 3.36Å; Y184-L188 HydrophobicContact CE1-CG 4.12Å; Y184-L188 HydrophobicContact CG-CD1 4.5Å; Y184-L188 PolarHBondContact O-N 2.91Å |
| 185 | P | 83.6 | Confident | 89.1 | Confident | 63 Ų | 63 | 102.5 Ų | 102.5 | 41% | 0.409 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -35 | 173.1 | -22.7 | 33.8 | 0 | 0 | 0 | 113.3 | A181 K189 | A181-P185 WeakPolarHBondContact O-CD 3.19Å; A181-P185 WeakPolarHBondContact O-CG 3.49Å; P185-K189 WeakPolarHBondContact O-CG 3.34Å; P185-K189 PolarHBondContact O-N 3.3Å; P185-K189 VanDerWaalsContact O-N 3.1Å |
| 186 | E | 85.3 | Confident | 88.8 | Confident | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73 | -42.7 | 179.9 | -164.5 | 175.7 | -160 | 0 | 0 | 111.5 | L183 Y184 L188 K189 A190 | L183-E186 WeakPolarHBondContact O-CB 3.47Å; L183-E186 PolarHBondContact O-N 3.45Å; L183-E186 VanDerWaalsContact O-N 3.11Å; Y184-E186 VanDerWaalsContact C-N 3.27Å; Y184-E186 PolarHBondContact O-N 3.13Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 2.8Å; E186-K189 PolarHBondContact O-N 3.33Å; E186-A190 PolarHBondContact O-N 3.47Å |
| 187 | K | 84.3 | Confident | 88.5 | Confident | 116 Ų | 116 | 102.4 Ų | 102.4 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 172.7 | -73.3 | -178.8 | 177.9 | 175 | 0 | 112.1 | L183 Y184 A190 I191 | L183-K187 PolarHBondContact O-N 3.47Å; Y184-K187 PolarHBondContact O-N 3.28Å; K187-A190 PolarHBondContact O-N 3.01Å; K187-I191 VanDerWaalsContact O-CG1 3.29Å; K187-I191 WeakPolarHBondContact O-CG1 3.37Å; K187-I191 PolarHBondContact O-N 2.82Å |
| 188 | L | 84.8 | Confident | 88.2 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 175.9 | -86 | 163 | 0 | 0 | 0 | 112.1 | Y184 E186 I191 A192 | Y184-L188 HydrophobicContact CD1-CD1 3.54Å; Y184-L188 HydrophobicContact CD1-CG 4.36Å; Y184-L188 HydrophobicContact CE1-CD1 3.36Å; Y184-L188 HydrophobicContact CE1-CG 4.12Å; Y184-L188 HydrophobicContact CG-CD1 4.5Å; Y184-L188 PolarHBondContact O-N 2.91Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 2.8Å; L188-I191 PolarHBondContact O-N 3.43Å; L188-A192 WeakPolarHBondContact O-CB 3.39Å; L188-A192 PolarHBondContact O-N 3.1Å |
| 189 | K | 87.1 | Confident | 87.9 | Confident | 155 Ų | 155 | 103.9 Ų | 103.9 | 67% | 0.674 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 175.7 | -74.5 | 173.8 | -177.6 | 178.9 | 0 | 111.8 | P185 E186 A192 Q193 | P185-K189 WeakPolarHBondContact O-CG 3.34Å; P185-K189 PolarHBondContact O-N 3.3Å; P185-K189 VanDerWaalsContact O-N 3.1Å; E186-K189 PolarHBondContact O-N 3.33Å; K189-A192 PolarHBondContact O-N 3.42Å; K189-Q193 WeakPolarHBondContact O-CB 3.27Å; K189-Q193 PolarHBondContact O-N 3.02Å |
| 190 | A | 87.7 | Confident | 87.7 | Confident | 54 Ų | 54 | 102.9 Ų | 102.9 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | E186 K187 Q193 Q194 | E186-A190 PolarHBondContact O-N 3.47Å; K187-A190 PolarHBondContact O-N 3.01Å; A190-Q193 PolarHBondContact O-N 3.38Å; A190-Q194 WeakPolarHBondContact O-CB 3.5Å; A190-Q194 PolarHBondContact O-N 2.83Å |
| 191 | I | 87.8 | Confident | 87.5 | Confident | 100 Ų | 100 | 104.7 Ų | 104.7 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.1 | -66.8 | 165.2 | 0 | 0 | 0 | 110.6 | K187 L188 Q193 Q194 V195 | K187-I191 VanDerWaalsContact O-CG1 3.29Å; K187-I191 WeakPolarHBondContact O-CG1 3.37Å; K187-I191 PolarHBondContact O-N 2.82Å; L188-I191 PolarHBondContact O-N 3.43Å; I191-Q193 VanDerWaalsContact C-N 3.3Å; I191-Q193 PolarHBondContact O-N 3.44Å; I191-Q194 PolarHBondContact O-N 3.13Å; I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.33Å; I191-V195 PolarHBondContact O-N 3.17Å |
| 192 | A | 87.8 | Confident | 87.3 | Confident | 59 Ų | 59 | 105.3 Ų | 105.3 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L188 K189 V195 Q196 | L188-A192 WeakPolarHBondContact O-CB 3.39Å; L188-A192 PolarHBondContact O-N 3.1Å; K189-A192 PolarHBondContact O-N 3.42Å; A192-V195 PolarHBondContact O-N 3.35Å; A192-Q196 PolarHBondContact O-N 3.48Å |
| 193 | Q | 90.8 | Very high | 87.2 | Confident | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 175.4 | -177.9 | 175.8 | 0.4 | 0 | 0 | 112 | K189 A190 I191 V195 Q196 E197 | K189-Q193 WeakPolarHBondContact O-CB 3.27Å; K189-Q193 PolarHBondContact O-N 3.02Å; A190-Q193 PolarHBondContact O-N 3.38Å; I191-Q193 VanDerWaalsContact C-N 3.3Å; I191-Q193 PolarHBondContact O-N 3.44Å; Q193-V195 VanDerWaalsContact C-N 3.32Å; Q193-V195 PolarHBondContact O-N 2.87Å; Q193-Q196 WeakPolarHBondContact O-CB 3.47Å; Q193-Q196 PolarHBondContact O-N 3.31Å; Q193-Q196 VanDerWaalsContact O-N 3.17Å; Q193-E197 PolarHBondContact NE2-OE1 2.85Å; Q193-E197 VanDerWaalsContact NE2-OE1 3.11Å; Q193-E197 WeakPolarHBondContact O-CG 3.34Å; Q193-E197 PolarHBondContact O-N 3.47Å |
| 194 | Q | 89.6 | Confident | 87.1 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 179.4 | -172.7 | 179.2 | 1.6 | 0 | 0 | 112.1 | A190 I191 E197 Q198 | A190-Q194 WeakPolarHBondContact O-CB 3.5Å; A190-Q194 PolarHBondContact O-N 2.83Å; I191-Q194 PolarHBondContact O-N 3.13Å; Q194-E197 PolarHBondContact O-N 3.25Å; Q194-Q198 WeakPolarHBondContact O-CB 3.41Å; Q194-Q198 PolarHBondContact O-N 3.11Å |
| 195 | V | 90.6 | Very high | 87.1 | Confident | 84 Ų | 84 | 101.8 Ų | 101.8 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I191 A192 Q193 E197 Q198 Q199 | I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.33Å; I191-V195 PolarHBondContact O-N 3.17Å; A192-V195 PolarHBondContact O-N 3.35Å; Q193-V195 VanDerWaalsContact C-N 3.32Å; Q193-V195 PolarHBondContact O-N 2.87Å; V195-E197 PolarHBondContact O-N 3.31Å; V195-Q198 PolarHBondContact O-N 2.93Å; V195-Q199 WeakPolarHBondContact O-CB 3.34Å; V195-Q199 PolarHBondContact O-N 3.45Å |
| 196 | Q | 89.8 | Confident | 87.2 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -46.9 | 176.6 | -169.6 | 79.3 | 48 | 0 | 0 | 111.3 | A192 Q193 Q199 V200 | A192-Q196 PolarHBondContact O-N 3.48Å; Q193-Q196 WeakPolarHBondContact O-CB 3.47Å; Q193-Q196 PolarHBondContact O-N 3.31Å; Q193-Q196 VanDerWaalsContact O-N 3.17Å; Q196-Q199 PolarHBondContact O-N 3.49Å; Q196-V200 WeakPolarHBondContact O-CG2 3.45Å; Q196-V200 PolarHBondContact O-N 2.97Å |
| 197 | E | 87.5 | Confident | 87.2 | Confident | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 179.6 | -72.3 | 174.6 | -169.2 | 0 | 0 | 112.1 | Q193 Q194 V195 Q199 V200 Q201 | Q193-E197 PolarHBondContact NE2-OE1 2.85Å; Q193-E197 VanDerWaalsContact NE2-OE1 3.11Å; Q193-E197 WeakPolarHBondContact O-CG 3.34Å; Q193-E197 PolarHBondContact O-N 3.47Å; Q194-E197 PolarHBondContact O-N 3.25Å; V195-E197 PolarHBondContact O-N 3.31Å; E197-Q199 VanDerWaalsContact C-N 3.33Å; E197-Q199 PolarHBondContact O-N 2.92Å; E197-V200 PolarHBondContact O-N 3.36Å; E197-Q201 PolarHBondContact O-N 3.07Å |
| 198 | Q | 88.1 | Confident | 87.2 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -36.9 | 177.3 | -166.6 | 170.3 | 71.6 | 0 | 0 | 111.9 | Q194 V195 Q201 T202 | Q194-Q198 WeakPolarHBondContact O-CB 3.41Å; Q194-Q198 PolarHBondContact O-N 3.11Å; V195-Q198 PolarHBondContact O-N 2.93Å; Q198-Q201 PolarHBondContact O-N 3.44Å; Q198-T202 WeakPolarHBondContact O-CB 3.32Å; Q198-T202 PolarHBondContact O-N 3.41Å; Q198-T202 PolarHBondContact O-OG1 3.41Å |
| 199 | Q | 88.1 | Confident | 86.9 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.9 | -163.7 | 179.8 | 19.2 | 0 | 0 | 111.9 | V195 Q196 E197 T202 Q203 | V195-Q199 WeakPolarHBondContact O-CB 3.34Å; V195-Q199 PolarHBondContact O-N 3.45Å; Q196-Q199 PolarHBondContact O-N 3.49Å; E197-Q199 VanDerWaalsContact C-N 3.33Å; E197-Q199 PolarHBondContact O-N 2.92Å; Q199-T202 PolarHBondContact O-N 3.45Å; Q199-Q203 PolarHBondContact O-N 3.24Å |
| 200 | V | 87.4 | Confident | 86.5 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | Q196 E197 T202 Q203 S204 | Q196-V200 WeakPolarHBondContact O-CG2 3.45Å; Q196-V200 PolarHBondContact O-N 2.97Å; E197-V200 PolarHBondContact O-N 3.36Å; V200-T202 VanDerWaalsContact C-N 3.33Å; V200-T202 PolarHBondContact O-N 2.92Å; V200-Q203 PolarHBondContact O-N 3.17Å; V200-S204 PolarHBondContact O-N 3.21Å |
| 201 | Q | 85.9 | Confident | 85.9 | Confident | 132 Ų | 132 | 106.9 Ų | 106.9 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 174.9 | -79 | -175 | 12.1 | 0 | 0 | 112.3 | E197 Q198 S204 L205 | E197-Q201 PolarHBondContact O-N 3.07Å; Q198-Q201 PolarHBondContact O-N 3.44Å; Q201-S204 PolarHBondContact O-N 3.28Å; Q201-S204 PolarHBondContact O-OG 3.42Å; Q201-L205 PolarHBondContact O-N 3.45Å |
| 202 | T | 85.3 | Confident | 85.1 | Confident | 81 Ų | 81 | 107 Ų | 107 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | Q198 Q199 V200 S204 L205 V206 | Q198-T202 WeakPolarHBondContact O-CB 3.32Å; Q198-T202 PolarHBondContact O-N 3.41Å; Q198-T202 PolarHBondContact O-OG1 3.41Å; Q199-T202 PolarHBondContact O-N 3.45Å; V200-T202 VanDerWaalsContact C-N 3.33Å; V200-T202 PolarHBondContact O-N 2.92Å; T202-S204 PolarHBondContact O-N 3.47Å; T202-L205 PolarHBondContact O-N 2.87Å; T202-V206 VanDerWaalsContact O-CG2 3.32Å; T202-V206 WeakPolarHBondContact O-CG2 3.31Å; T202-V206 PolarHBondContact O-N 2.92Å |
| 203 | Q | 86.3 | Confident | 84 | Confident | 99 Ų | 99 | 110.2 Ų | 110.2 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 175.6 | -86.8 | -173.3 | 54.2 | 0 | 0 | 113 | Q199 V200 V206 R207 | Q199-Q203 PolarHBondContact O-N 3.24Å; V200-Q203 PolarHBondContact O-N 3.17Å; Q203-V206 PolarHBondContact O-N 2.89Å; Q203-R207 WeakPolarHBondContact O-CG 3.19Å; Q203-R207 PolarHBondContact O-N 3.5Å |
| 204 | S | 85.6 | Confident | 82.5 | Confident | 66 Ų | 66 | 112.2 Ų | 112.2 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 178.1 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | V200 Q201 T202 R207 L208 | V200-S204 PolarHBondContact O-N 3.21Å; Q201-S204 PolarHBondContact O-N 3.28Å; Q201-S204 PolarHBondContact O-OG 3.42Å; T202-S204 PolarHBondContact O-N 3.47Å; S204-R207 PolarHBondContact O-N 3.02Å; S204-L208 PolarHBondContact O-N 3.48Å |
| 205 | L | 86.6 | Confident | 81 | Confident | 124 Ų | 124 | 112.4 Ų | 112.4 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.3 | -47.5 | 173.6 | -111.7 | 165.9 | 0 | 0 | 0 | 111.9 | Q201 T202 R207 L208 Q209 | Q201-L205 PolarHBondContact O-N 3.45Å; T202-L205 PolarHBondContact O-N 2.87Å; L205-R207 VanDerWaalsContact C-N 3.34Å; L205-R207 PolarHBondContact O-N 3.39Å; L205-L208 PolarHBondContact O-N 2.9Å; L205-Q209 PolarHBondContact O-N 3.47Å |
| 206 | V | 85 | Confident | 79.4 | Confident | 85 Ų | 85 | 115 Ų | 115 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.5 | -39.6 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | T202 Q203 Q209 K210 | T202-V206 VanDerWaalsContact O-CG2 3.32Å; T202-V206 WeakPolarHBondContact O-CG2 3.31Å; T202-V206 PolarHBondContact O-N 2.92Å; Q203-V206 PolarHBondContact O-N 2.89Å; V206-Q209 PolarHBondContact O-N 3.42Å; V206-K210 WeakPolarHBondContact O-CB 3.24Å; V206-K210 PolarHBondContact O-N 2.9Å |
| 207 | R | 85.4 | Confident | 77.2 | Confident | 175 Ų | 175 | 114.6 Ų | 114.6 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.8 | -42.8 | 175.4 | -80.6 | -175 | -175.1 | 148.5 | 4.9 | 112 | Q203 S204 L205 K210 Q211 | Q203-R207 WeakPolarHBondContact O-CG 3.19Å; Q203-R207 PolarHBondContact O-N 3.5Å; S204-R207 PolarHBondContact O-N 3.02Å; L205-R207 VanDerWaalsContact C-N 3.34Å; L205-R207 PolarHBondContact O-N 3.39Å; R207-K210 PolarHBondContact O-N 3.28Å; R207-Q211 PolarHBondContact O-N 3.41Å |
| 208 | L | 83.4 | Confident | 75.3 | Confident | 100 Ų | 100 | 116 Ų | 116 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.2 | -43.2 | 178.9 | -169.5 | 64.7 | 0 | 0 | 0 | 111.2 | S204 L205 K210 Q211 L212 | S204-L208 PolarHBondContact O-N 3.48Å; L205-L208 PolarHBondContact O-N 2.9Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 2.89Å; L208-Q211 PolarHBondContact O-N 3.33Å; L208-Q211 VanDerWaalsContact O-N 3.14Å; L208-L212 HydrophobicContact CG-CD1 4.26Å; L208-L212 PolarHBondContact O-N 2.78Å |
| 209 | Q | 79.6 | Confident | 73.1 | Confident | 117 Ų | 117 | 114.5 Ų | 114.5 | 55% | 0.547 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -57.9 | -45.4 | 174 | -174.9 | -178.2 | -1 | 0 | 0 | 111.7 | L205 V206 Q211 L212 E213 | L205-Q209 PolarHBondContact O-N 3.47Å; V206-Q209 PolarHBondContact O-N 3.42Å; Q209-Q211 PolarHBondContact O-N 3.05Å; Q209-L212 PolarHBondContact O-N 2.98Å; Q209-E213 PolarHBondContact O-N 3.49Å |
| 210 | K | 78.3 | Confident | 70.7 | Confident | 117 Ų | 117 | 118.5 Ų | 118.5 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.5 | -24.3 | 178.9 | -163.1 | 175.8 | -176.6 | 172.2 | 0 | 113.3 | V206 R207 L208 R214 | V206-K210 WeakPolarHBondContact O-CB 3.24Å; V206-K210 PolarHBondContact O-N 2.9Å; R207-K210 PolarHBondContact O-N 3.28Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 2.89Å; K210-R214 PolarHBondContact O-N 2.94Å |
| 211 | Q | 76.3 | Confident | 68.2 | Low | 118 Ų | 118 | 119.2 Ų | 119.2 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.5 | -44.5 | 173.7 | -171.7 | 172 | -28.5 | 0 | 0 | 110.8 | R207 L208 Q209 E213 R214 D215 | R207-Q211 PolarHBondContact O-N 3.41Å; L208-Q211 PolarHBondContact O-N 3.33Å; L208-Q211 VanDerWaalsContact O-N 3.14Å; Q209-Q211 PolarHBondContact O-N 3.05Å; Q211-E213 VanDerWaalsContact C-N 3.31Å; Q211-E213 PolarHBondContact O-N 3.36Å; Q211-R214 PolarHBondContact O-N 2.94Å; Q211-D215 PolarHBondContact O-N 3.04Å; Q211-D215 VanDerWaalsContact O-N 3.16Å |
| 212 | L | 70.3 | Confident | 66.9 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -57.4 | -41 | 172.9 | -84.5 | 145.9 | 0 | 0 | 0 | 112.4 | L208 Q209 R214 D215 L216 | L208-L212 HydrophobicContact CG-CD1 4.26Å; L208-L212 PolarHBondContact O-N 2.78Å; Q209-L212 PolarHBondContact O-N 2.98Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.48Å; L212-D215 PolarHBondContact O-N 2.95Å; L212-L216 WeakPolarHBondContact O-CD1 3.35Å |
| 213 | E | 63.3 | Low | 64.4 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 59% | 0.593 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.3 | -26.3 | 175.9 | -74.5 | -169.5 | 169.1 | 0 | 0 | 113.7 | Q209 Q211 | Q209-E213 PolarHBondContact O-N 3.49Å; Q211-E213 VanDerWaalsContact C-N 3.31Å; Q211-E213 PolarHBondContact O-N 3.36Å |
| 214 | R | 60.8 | Low | 61.9 | Low | 162 Ų | 162 | 123 Ų | 123 | 61% | 0.611 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.8 | -33.1 | 176 | -79.6 | -169.5 | 177.7 | 107.8 | -11.3 | 113 | K210 Q211 L212 L216 | K210-R214 PolarHBondContact O-N 2.94Å; Q211-R214 PolarHBondContact O-N 2.94Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 PolarHBondContact O-N 3.48Å; R214-L216 PolarHBondContact O-N 3.32Å |
| 215 | D | 57.2 | Low | 59.5 | Low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.8 | -11.8 | 179.9 | -70.2 | -19.9 | 0 | 0 | 0 | 113 | Q211 L212 | Q211-D215 PolarHBondContact O-N 3.04Å; Q211-D215 VanDerWaalsContact O-N 3.16Å; L212-D215 PolarHBondContact O-N 2.95Å |
| 216 | L | 56.9 | Low | 57 | Low | 139 Ų | 139 | 126.4 Ų | 126.4 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 13.9 | -177.8 | -96.6 | 135.3 | 0 | 0 | 0 | 115.4 | L212 R214 | L212-L216 WeakPolarHBondContact O-CD1 3.35Å; R214-L216 PolarHBondContact O-N 3.32Å |
| 217 | T | 45 | Very low | 55.4 | Low | 112 Ų | 112 | 128.3 Ų | 128.3 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | trans | -126.8 | 116.8 | 176.5 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 218 | P | 46.6 | Very low | 52.9 | Low | 132 Ų | 132 | 124.1 Ų | 124.1 | 86% | 0.857 | 69% | 0.692 | S | S | * | * | trans | -111.5 | 155.8 | 147.8 | 22.9 | -5.7 | 0 | 0 | 0 | 111.9 | ||||
| 219 | A | 41.9 | Very low | 51 | Low | 91 Ų | 91 | 125.7 Ų | 125.7 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -79.7 | 162.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 220 | H | 37.6 | Very low | 49.6 | Very low | 191 Ų | 191 | 125.9 Ų | 125.9 | 88% | 0.884 | 72% | 0.717 | S | S | * | * | trans | 94.1 | 131.7 | 150.9 | -79.7 | -0.8 | 0 | 0 | 0 | 122.5 | ||||
| 221 | S | 35.1 | Very low | 47.9 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | -78.3 | -173.3 | 180 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 222 | P | 57.8 | Low | 46 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -144.4 | -174.4 | 9 | 40.2 | -17.8 | 0 | 0 | 0 | 118 | ||||
| 223 | Q | 33.9 | Very low | 44.6 | Very low | 179 Ų | 179 | 124.7 Ų | 124.7 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | 80.3 | 142.7 | 160.2 | -69.2 | -162.9 | 31.9 | 0 | 0 | 118.3 | ||||
| 224 | V | 34.3 | Very low | 43.5 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | cis | -166.4 | 154.8 | 13.9 | 125.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 225 | L | 35.2 | Very low | 42.4 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | 67.1 | 138.7 | 159.7 | -110.7 | 61.5 | 0 | 0 | 0 | 123.8 | ||||
| 226 | A | 33.6 | Very low | 41.5 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | -95.9 | -156.6 | -169 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 227 | P | 51.5 | Low | 40.7 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | cis | -125.5 | 172.6 | -49.6 | 24.7 | -4.5 | 0 | 0 | 0 | 112.6 | ||||
| 228 | A | 33.1 | Very low | 40.4 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | 132.7 | 128.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 229 | T | 43.4 | Very low | 40 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | 71.8 | 140.7 | 158.2 | 59.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 230 | P | 49.4 | Very low | 40.2 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 141.9 | -170.4 | 35.9 | -31.1 | 0 | 0 | 0 | 112 | ||
| 231 | P | 43.9 | Very low | 40.2 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 133 | 158.9 | 32.7 | -24.2 | 0 | 0 | 0 | 110.4 | ||
| 232 | A | 34.8 | Very low | 40.6 | Very low | 84 Ų | 84 | 122.3 Ų | 122.3 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 150.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T234 | A232-T234 PolarHBondContact O-N 3.41Š|
| 233 | P | 42.1 | Very low | 39.6 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | -75.1 | 108.1 | 167 | 30.8 | -30 | 0 | 0 | 0 | 109 | H235 | P233-H235 PolarHBondContact O-N 2.85Š| ||
| 234 | T | 40.3 | Very low | 40.2 | Very low | 132 Ų | 132 | 119 Ų | 119 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -71.9 | 75.5 | 161.7 | 26.5 | 0 | 0 | 0 | 0 | 109.3 | A232 H236 | A232-T234 PolarHBondContact O-N 3.41Å; T234-H236 VanDerWaalsContact C-N 3.32Å; T234-H236 PolarHBondContact O-N 2.88Å; T234-H236 PolarHBondContact O-ND1 3.15Å | ||
| 235 | H | 37.4 | Very low | 40.3 | Very low | 168 Ų | 168 | 118.5 Ų | 118.5 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | -61.3 | 99.1 | 152.8 | -73.5 | -84.9 | 0 | 0 | 0 | 107.2 | P233 A237 | P233-H235 PolarHBondContact O-N 2.85Å; H235-A237 PolarHBondContact O-N 2.99Å | ||
| 236 | H | 38.8 | Very low | 40.4 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | trans | -69.7 | 109.1 | 156.2 | 40.3 | -77.9 | 0 | 0 | 0 | 106 | T234 T238 | T234-H236 VanDerWaalsContact C-N 3.32Å; T234-H236 PolarHBondContact O-N 2.88Å; T234-H236 PolarHBondContact O-ND1 3.15Å; H236-T238 VanDerWaalsContact C-N 3.29Å; H236-T238 PolarHBondContact O-N 2.89Å | ||
| 237 | A | 38.4 | Very low | 40.7 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -63.6 | 92.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | H235 V239 | H235-A237 PolarHBondContact O-N 2.99Å; A237-V239 VanDerWaalsContact C-N 3.28Å; A237-V239 PolarHBondContact O-N 3.37Å | ||
| 238 | T | 39 | Very low | 40.3 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 63% | 0.632 | 75% | 0.754 | S | S | * | * | trans | -71.4 | 96.6 | 157.4 | -44.8 | 0 | 0 | 0 | 0 | 105.9 | H236 I240 | H236-T238 VanDerWaalsContact C-N 3.29Å; H236-T238 PolarHBondContact O-N 2.89Å; T238-I240 HydrophobicContact CG2-CD1 3.97Å; T238-I240 HydrophobicContact CG2-CG1 3.54Å; T238-I240 PolarHBondContact O-N 3.15Å | ||
| 239 | V | 39.3 | Very low | 40.4 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -67.2 | 84.6 | 164.7 | 176.8 | 0 | 0 | 0 | 0 | 106.7 | A237 V241 | A237-V239 VanDerWaalsContact C-N 3.28Å; A237-V239 PolarHBondContact O-N 3.37Å; V239-V241 HydrophobicContact CG1-CG2 4.03Å | ||
| 240 | I | 45.2 | Very low | 40.4 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | trans | -90.6 | 102.3 | 159.6 | -57.1 | -175.7 | 0 | 0 | 0 | 105.2 | T238 P242 | T238-I240 HydrophobicContact CG2-CD1 3.97Å; T238-I240 HydrophobicContact CG2-CG1 3.54Å; T238-I240 PolarHBondContact O-N 3.15Å; I240-P242 VanDerWaalsContact O-CD 3.3Å; I240-P242 WeakPolarHBondContact O-CD 3.37Å | ||
| 241 | V | 38.6 | Very low | 40.1 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 119.8 | 166.5 | 176.4 | 0 | 0 | 0 | 0 | 107.3 | V239 A243 | V239-V241 HydrophobicContact CG1-CG2 4.03Å; V241-A243 PolarHBondContact O-N 3.37Å |
| 242 | P | 42.4 | Very low | 39.8 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120 | 172.1 | -11.6 | 27.7 | 0 | 0 | 0 | 108.8 | I240 | I240-P242 VanDerWaalsContact O-CD 3.3Å; I240-P242 WeakPolarHBondContact O-CD 3.37Å |
| 243 | A | 38.1 | Very low | 40 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 130.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V241 A245 | V241-A243 PolarHBondContact O-N 3.37Å; A243-A245 PolarHBondContact O-N 2.97Å |
| 244 | P | 45 | Very low | 40 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 125.4 | 172.8 | 27.2 | -29.1 | 0 | 0 | 0 | 110.2 | Q246 | P244-Q246 PolarHBondContact O-N 3.39Š|
| 245 | A | 37 | Very low | 40.1 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A243 | A243-A245 PolarHBondContact O-N 2.97Š|
| 246 | Q | 38 | Very low | 40.4 | Very low | 194 Ų | 194 | 127 Ų | 127 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 123.8 | 174.8 | -66.1 | 179.9 | 32.6 | 0 | 0 | 110.1 | P244 | P244-Q246 PolarHBondContact O-N 3.39Š|
| 247 | T | 38.9 | Very low | 40.8 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 147.4 | 163 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 248 | P | 43.6 | Very low | 41.3 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 129.1 | -179.8 | 30.8 | -31.2 | 0 | 0 | 0 | 110.8 | ||
| 249 | Q | 35.6 | Very low | 41.7 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -113.8 | 140 | 175 | -75.4 | -73.8 | -33.2 | 0 | 0 | 110.5 | ||||
| 250 | P | 41.7 | Very low | 42.4 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | trans | -75.5 | 159.3 | 179.2 | 33.2 | -32.6 | 0 | 0 | 0 | 111.4 | H252 | P250-H252 PolarHBondContact O-N 3.14Š| ||
| 251 | H | 44.7 | Very low | 42.5 | Very low | 200 Ų | 200 | 122.2 Ų | 122.2 | 93% | 0.926 | 72% | 0.724 | S | S | * | * | trans | -47.2 | 115.9 | -178.6 | -54.2 | -82 | 0 | 0 | 0 | 112.9 | ||||
| 252 | H | 36 | Very low | 43 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -115.9 | 122.7 | 163.4 | 65.3 | -84.1 | 0 | 0 | 0 | 109.7 | P250 | P250-H252 PolarHBondContact O-N 3.14Š| ||
| 253 | V | 40.8 | Very low | 43.5 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | trans | -67.2 | 122.7 | 166.2 | 171 | 0 | 0 | 0 | 0 | 107.6 | V255 | V253-V255 HydrophobicContact CG1-CG2 4.34Å; V253-V255 PolarHBondContact O-N 3.35Å; V253-V255 VanDerWaalsContact O-N 3.1Å | ||
| 254 | T | 40.2 | Very low | 44.2 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -78.8 | 92.9 | 175.7 | -37.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 255 | V | 43.8 | Very low | 44.5 | Very low | 118 Ų | 118 | 119.3 Ų | 119.3 | 72% | 0.715 | 69% | 0.686 | S | S | * | * | trans | -79.5 | 114.5 | 158.2 | -179 | 0 | 0 | 0 | 0 | 107 | V253 T257 | V253-V255 HydrophobicContact CG1-CG2 4.34Å; V253-V255 PolarHBondContact O-N 3.35Å; V253-V255 VanDerWaalsContact O-N 3.1Å; V255-T257 PolarHBondContact O-N 3.33Å | ||
| 256 | V | 43.8 | Very low | 45.5 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | trans | -71.9 | 92.5 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | M258 | V256-M258 HydrophobicContact CG1-CG 4.36Å; V256-M258 HydrophobicContact CG1-SD 4.06Å | ||
| 257 | T | 46.4 | Very low | 46.5 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -85.7 | 117.2 | 159.2 | -100.2 | 0 | 0 | 0 | 0 | 107.6 | V255 G259 | V255-T257 PolarHBondContact O-N 3.33Å; T257-G259 PolarHBondContact O-N 2.92Å; T257-G259 VanDerWaalsContact O-N 3.14Å | ||
| 258 | M | 48.2 | Very low | 47.8 | Very low | 140 Ų | 140 | 110.7 Ų | 110.7 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | trans | -73.2 | 102.8 | 177.7 | -70 | -70.4 | -77.3 | 0 | 0 | 109.3 | V256 | V256-M258 HydrophobicContact CG1-CG 4.36Å; V256-M258 HydrophobicContact CG1-SD 4.06Å | ||
| 259 | G | 47.5 | Very low | 49.1 | Very low | 26 Ų | 26 | 108.1 Ų | 108.1 | 27% | 0.268 | 62% | 0.624 | S | S | . | * | trans | -74 | 154.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T257 T261 S262 | T257-G259 PolarHBondContact O-N 2.92Å; T257-G259 VanDerWaalsContact O-N 3.14Å; G259-T261 PolarHBondContact O-N 2.88Å; G259-S262 PolarHBondContact O-N 3.45Å | ||
| 260 | P | 55.3 | Low | 51.2 | Low | 113 Ų | 113 | 103.3 Ų | 103.3 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -11.5 | -172.3 | 25.2 | -33.7 | 0 | 0 | 0 | 114.9 | ||
| 261 | T | 46.7 | Very low | 53.1 | Low | 108 Ų | 108 | 107.2 Ų | 107.2 | 66% | 0.663 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -24.1 | 176.1 | 23.9 | 0 | 0 | 0 | 0 | 113.7 | G259 V263 I264 | G259-T261 PolarHBondContact O-N 2.88Å; T261-V263 VanDerWaalsContact C-N 3.27Å; T261-V263 PolarHBondContact O-N 3.15Å; T261-I264 PolarHBondContact O-N 2.82Å |
| 262 | S | 49.3 | Very low | 54.8 | Low | 62 Ų | 62 | 103.8 Ų | 103.8 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.7 | -21.1 | 179.3 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | G259 I264 | G259-S262 PolarHBondContact O-N 3.45Å; S262-I264 VanDerWaalsContact C-N 3.31Å |
| 263 | V | 52.8 | Low | 57 | Low | 87 Ų | 87 | 101.1 Ų | 101.1 | 53% | 0.527 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.4 | -23.5 | -178.5 | -153.1 | 0 | 0 | 0 | 0 | 111.7 | T261 S266 V267 | T261-V263 VanDerWaalsContact C-N 3.27Å; T261-V263 PolarHBondContact O-N 3.15Å; V263-S266 PolarHBondContact O-OG 3.05Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å |
| 264 | I | 52.7 | Low | 59.4 | Low | 111 Ų | 111 | 99.5 Ų | 99.5 | 57% | 0.569 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.9 | -37.2 | -177.9 | -50.1 | 176.4 | 0 | 0 | 0 | 110.4 | T261 S262 S268 | T261-I264 PolarHBondContact O-N 2.82Å; S262-I264 VanDerWaalsContact C-N 3.31Å; I264-S268 PolarHBondContact O-N 2.75Å; I264-S268 PolarHBondContact O-OG 3.37Å |
| 265 | N | 52.4 | Low | 61.7 | Low | 119 Ų | 119 | 98.8 Ų | 98.8 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.8 | -28.7 | 178.7 | -92.6 | 27 | 0 | 0 | 0 | 113.9 | T269 | N265-T269 PolarHBondContact O-N 2.93Å; N265-T269 VanDerWaalsContact O-N 3.13Å; N265-T269 PolarHBondContact O-OG1 3.4Å |
| 266 | S | 56.7 | Low | 63.9 | Low | 61 Ų | 61 | 97.1 Ų | 97.1 | 43% | 0.427 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.2 | -34.9 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | V263 T269 S270 | V263-S266 PolarHBondContact O-OG 3.05Å; S266-T269 WeakPolarHBondContact CA-OG1 3.42Å; S266-T269 PolarHBondContact O-OG1 3.13Å; S266-S270 WeakPolarHBondContact O-CB 3.35Å; S266-S270 PolarHBondContact O-N 2.92Å |
| 267 | V | 60 | Low | 66 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.4 | -43.6 | 174.7 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | V263 S270 R271 | V263-V267 WeakPolarHBondContact O-CG2 3.34Å; V267-S270 PolarHBondContact O-N 3.39Å; V267-R271 VanDerWaalsContact O-CB 3.27Å; V267-R271 WeakPolarHBondContact O-CB 3.41Å; V267-R271 PolarHBondContact O-N 2.88Å |
| 268 | S | 65.1 | Low | 68.2 | Low | 73 Ų | 73 | 94.4 Ų | 94.4 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.6 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | I264 Q272 | I264-S268 PolarHBondContact O-N 2.75Å; I264-S268 PolarHBondContact O-OG 3.37Å; S268-Q272 PolarHBondContact O-N 3.44Å; S268-Q272 VanDerWaalsContact O-N 3.11Å |
| 269 | T | 71.9 | Confident | 70.1 | Confident | 72 Ų | 72 | 93.7 Ų | 93.7 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.6 | -39.1 | 177.3 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | N265 S266 R271 Q272 N273 | N265-T269 PolarHBondContact O-N 2.93Å; N265-T269 VanDerWaalsContact O-N 3.13Å; N265-T269 PolarHBondContact O-OG1 3.4Å; S266-T269 WeakPolarHBondContact CA-OG1 3.42Å; S266-T269 PolarHBondContact O-OG1 3.13Å; T269-R271 VanDerWaalsContact C-N 3.32Å; T269-R271 PolarHBondContact O-N 3.42Å; T269-Q272 PolarHBondContact O-N 2.89Å; T269-N273 WeakPolarHBondContact O-CB 3.39Å; T269-N273 PolarHBondContact O-N 2.94Å; T269-N273 PolarHBondContact O-ND2 2.94Å |
| 270 | S | 79.9 | Confident | 71.9 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 172.8 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | S266 V267 N273 L274 | S266-S270 WeakPolarHBondContact O-CB 3.35Å; S266-S270 PolarHBondContact O-N 2.92Å; V267-S270 PolarHBondContact O-N 3.39Å; S270-N273 PolarHBondContact O-N 2.98Å; S270-L274 WeakPolarHBondContact O-CB 3.31Å; S270-L274 WeakPolarHBondContact O-CG 3.42Å; S270-L274 PolarHBondContact O-N 3.04Å |
| 271 | R | 80.8 | Confident | 73.3 | Confident | 177 Ų | 177 | 93.4 Ų | 93.4 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 178.2 | -158.3 | 167.9 | -177.5 | -114.1 | 0.4 | 112.1 | V267 T269 L274 D275 | V267-R271 VanDerWaalsContact O-CB 3.27Å; V267-R271 WeakPolarHBondContact O-CB 3.41Å; V267-R271 PolarHBondContact O-N 2.88Å; T269-R271 VanDerWaalsContact C-N 3.32Å; T269-R271 PolarHBondContact O-N 3.42Å; R271-L274 PolarHBondContact O-N 3.23Å; R271-D275 PolarHBondContact O-N 3.27Å |
| 272 | Q | 81.3 | Confident | 75.1 | Confident | 128 Ų | 128 | 94.4 Ų | 94.4 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 174.4 | -172.3 | 176.3 | 8.6 | 0 | 0 | 112.6 | S268 T269 D275 T276 | S268-Q272 PolarHBondContact O-N 3.44Å; S268-Q272 VanDerWaalsContact O-N 3.11Å; T269-Q272 PolarHBondContact O-N 2.89Å; Q272-D275 PolarHBondContact O-N 2.95Å; Q272-T276 PolarHBondContact O-N 3.33Å; Q272-T276 PolarHBondContact O-OG1 3.43Å |
| 273 | N | 82.3 | Confident | 76.5 | Confident | 99 Ų | 99 | 98.4 Ų | 98.4 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.4 | -67.4 | -21.5 | 0 | 0 | 0 | 111.5 | T269 S270 T276 I277 | T269-N273 WeakPolarHBondContact O-CB 3.39Å; T269-N273 PolarHBondContact O-N 2.94Å; T269-N273 PolarHBondContact O-ND2 2.94Å; S270-N273 PolarHBondContact O-N 2.98Å; N273-T276 PolarHBondContact O-N 3.28Å; N273-I277 VanDerWaalsContact O-CG1 3.31Å; N273-I277 WeakPolarHBondContact O-CG1 3.35Å; N273-I277 PolarHBondContact O-N 3.23Å |
| 274 | L | 91.4 | Very high | 77.7 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 175.2 | -74.6 | 168.8 | 0 | 0 | 0 | 111.6 | S270 R271 T276 I277 V278 | S270-L274 WeakPolarHBondContact O-CB 3.31Å; S270-L274 WeakPolarHBondContact O-CG 3.42Å; S270-L274 PolarHBondContact O-N 3.04Å; R271-L274 PolarHBondContact O-N 3.23Å; L274-T276 VanDerWaalsContact C-N 3.26Å; L274-T276 PolarHBondContact O-N 2.91Å; L274-I277 PolarHBondContact O-N 2.84Å; L274-I277 VanDerWaalsContact O-N 3.15Å; L274-V278 WeakPolarHBondContact O-CG2 3.38Å; L274-V278 PolarHBondContact O-N 2.93Å |
| 275 | D | 88.6 | Confident | 78.9 | Confident | 96 Ų | 96 | 100.2 Ų | 100.2 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 176.8 | -78.2 | -10.6 | 0 | 0 | 0 | 111.8 | R271 Q272 V278 Q279 | R271-D275 PolarHBondContact O-N 3.27Å; Q272-D275 PolarHBondContact O-N 2.95Å; D275-V278 PolarHBondContact O-N 3.08Å; D275-Q279 WeakPolarHBondContact O-CB 3.37Å; D275-Q279 PolarHBondContact O-N 2.73Å |
| 276 | T | 89.6 | Confident | 79.4 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | Q272 N273 L274 A280 | Q272-T276 PolarHBondContact O-N 3.33Å; Q272-T276 PolarHBondContact O-OG1 3.43Å; N273-T276 PolarHBondContact O-N 3.28Å; L274-T276 VanDerWaalsContact C-N 3.26Å; L274-T276 PolarHBondContact O-N 2.91Å; T276-A280 WeakPolarHBondContact O-CB 3.28Å; T276-A280 PolarHBondContact O-N 3.45Å |
| 277 | I | 88.2 | Confident | 79.4 | Confident | 96 Ų | 96 | 99 Ų | 99 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 176.9 | -67.1 | 164.3 | 0 | 0 | 0 | 110.5 | N273 L274 A280 I281 | N273-I277 VanDerWaalsContact O-CG1 3.31Å; N273-I277 WeakPolarHBondContact O-CG1 3.35Å; N273-I277 PolarHBondContact O-N 3.23Å; L274-I277 PolarHBondContact O-N 2.84Å; L274-I277 VanDerWaalsContact O-N 3.15Å; I277-A280 PolarHBondContact O-N 2.72Å; I277-I281 HydrophobicContact CG2-CD1 3.89Å; I277-I281 WeakPolarHBondContact O-CG1 3.24Å; I277-I281 PolarHBondContact O-N 3.43Å |
| 278 | V | 92.4 | Very high | 79.1 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 111 | L274 D275 A280 I281 Q282 | L274-V278 WeakPolarHBondContact O-CG2 3.38Å; L274-V278 PolarHBondContact O-N 2.93Å; D275-V278 PolarHBondContact O-N 3.08Å; V278-A280 VanDerWaalsContact C-N 3.33Å; V278-A280 PolarHBondContact O-N 2.77Å; V278-I281 PolarHBondContact O-N 3.49Å; V278-Q282 WeakPolarHBondContact O-CB 3.3Å; V278-Q282 PolarHBondContact O-N 3.35Å |
| 279 | Q | 87.4 | Confident | 78.6 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 174.7 | -84.1 | -178 | 0.5 | 0 | 0 | 112.4 | D275 Q282 H283 | D275-Q279 WeakPolarHBondContact O-CB 3.37Å; D275-Q279 PolarHBondContact O-N 2.73Å; Q279-Q282 PolarHBondContact O-N 3.01Å; Q279-H283 WeakPolarHBondContact O-CB 3.49Å; Q279-H283 PolarHBondContact O-CD2 3.26Å; Q279-H283 VanDerWaalsContact O-CD2 3.27Å; Q279-H283 PolarHBondContact O-N 3.28Å |
| 280 | A | 85.9 | Confident | 77.6 | Confident | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | T276 I277 V278 H283 I284 | T276-A280 WeakPolarHBondContact O-CB 3.28Å; T276-A280 PolarHBondContact O-N 3.45Å; I277-A280 PolarHBondContact O-N 2.72Å; V278-A280 VanDerWaalsContact C-N 3.33Å; V278-A280 PolarHBondContact O-N 2.77Å; A280-H283 PolarHBondContact O-N 3.09Å; A280-I284 WeakPolarHBondContact O-CD1 3.47Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.32Å; A280-I284 PolarHBondContact O-N 2.84Å; A280-I284 VanDerWaalsContact O-N 3.09Å |
| 281 | I | 84.2 | Confident | 76.1 | Confident | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.415 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.9 | -66.5 | 168 | 0 | 0 | 0 | 110.2 | I277 V278 H283 I284 E285 | I277-I281 HydrophobicContact CG2-CD1 3.89Å; I277-I281 WeakPolarHBondContact O-CG1 3.24Å; I277-I281 PolarHBondContact O-N 3.43Å; V278-I281 PolarHBondContact O-N 3.49Å; I281-H283 VanDerWaalsContact C-N 3.3Å; I281-H283 PolarHBondContact O-N 3.08Å; I281-I284 PolarHBondContact O-N 3.28Å; I281-I284 VanDerWaalsContact O-N 3.08Å; I281-E285 HydrophobicContact CG2-CG 4.2Å; I281-E285 WeakPolarHBondContact CG2-OE1 3.28Å; I281-E285 WeakPolarHBondContact O-CG 3.4Å; I281-E285 PolarHBondContact O-N 3.35Å |
| 282 | Q | 83.3 | Confident | 74.5 | Confident | 130 Ų | 130 | 100 Ų | 100 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -33.5 | -179.8 | -161.7 | 164.5 | 29.3 | 0 | 0 | 112.9 | V278 Q279 G286 | V278-Q282 WeakPolarHBondContact O-CB 3.3Å; V278-Q282 PolarHBondContact O-N 3.35Å; Q279-Q282 PolarHBondContact O-N 3.01Å; Q282-G286 PolarHBondContact O-N 2.87Å |
| 283 | H | 79 | Confident | 73.1 | Confident | 145 Ų | 145 | 100.2 Ų | 100.2 | 67% | 0.671 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 171.6 | -92.9 | -114.9 | 0 | 0 | 0 | 112.7 | Q279 A280 I281 T287 | Q279-H283 WeakPolarHBondContact O-CB 3.49Å; Q279-H283 PolarHBondContact O-CD2 3.26Å; Q279-H283 VanDerWaalsContact O-CD2 3.27Å; Q279-H283 PolarHBondContact O-N 3.28Å; A280-H283 PolarHBondContact O-N 3.09Å; I281-H283 VanDerWaalsContact C-N 3.3Å; I281-H283 PolarHBondContact O-N 3.08Å; H283-T287 PolarHBondContact O-N 2.66Å; H283-T287 VanDerWaalsContact O-N 3.1Å; H283-T287 PolarHBondContact O-OG1 3.1Å |
| 284 | I | 78.7 | Confident | 71.7 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 53% | 0.533 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.5 | -46.8 | 177.4 | -68 | 164 | 0 | 0 | 0 | 109.8 | A280 I281 G286 T287 Q288 | A280-I284 WeakPolarHBondContact O-CD1 3.47Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.32Å; A280-I284 PolarHBondContact O-N 2.84Å; A280-I284 VanDerWaalsContact O-N 3.09Å; I281-I284 PolarHBondContact O-N 3.28Å; I281-I284 VanDerWaalsContact O-N 3.08Å; I284-G286 VanDerWaalsContact C-N 3.33Å; I284-G286 PolarHBondContact O-N 3.11Å; I284-T287 PolarHBondContact O-N 3.3Å; I284-T287 PolarHBondContact O-OG1 3.06Å; I284-T287 VanDerWaalsContact O-OG1 3.11Å; I284-Q288 VanDerWaalsContact O-CG 3.28Å; I284-Q288 WeakPolarHBondContact O-CG 3.43Å; I284-Q288 PolarHBondContact O-N 3.45Å |
| 285 | E | 76.9 | Confident | 70 | Confident | 133 Ų | 133 | 104.7 Ų | 104.7 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.6 | -34.2 | 178.3 | -67.8 | 177.8 | 169.1 | 0 | 0 | 111.9 | I281 Q288 G289 | I281-E285 HydrophobicContact CG2-CG 4.2Å; I281-E285 WeakPolarHBondContact CG2-OE1 3.28Å; I281-E285 WeakPolarHBondContact O-CG 3.4Å; I281-E285 PolarHBondContact O-N 3.35Å; E285-Q288 PolarHBondContact O-N 3.4Å; E285-G289 PolarHBondContact O-N 3.47Å |
| 286 | G | 64.5 | Low | 68.3 | Low | 53 Ų | 53 | 106 Ų | 106 | 55% | 0.546 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.9 | -29 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q282 I284 | Q282-G286 PolarHBondContact O-N 2.87Å; I284-G286 VanDerWaalsContact C-N 3.33Å; I284-G286 PolarHBondContact O-N 3.11Å |
| 287 | T | 54.9 | Low | 66.7 | Low | 100 Ų | 100 | 110.8 Ų | 110.8 | 61% | 0.613 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -81.8 | -30.6 | 173.8 | 30.7 | 0 | 0 | 0 | 0 | 112.5 | H283 I284 G289 K290 G291 | H283-T287 PolarHBondContact O-N 2.66Å; H283-T287 VanDerWaalsContact O-N 3.1Å; H283-T287 PolarHBondContact O-OG1 3.1Å; I284-T287 PolarHBondContact O-N 3.3Å; I284-T287 PolarHBondContact O-OG1 3.06Å; I284-T287 VanDerWaalsContact O-OG1 3.11Å; T287-G289 VanDerWaalsContact C-N 3.32Å; T287-G289 PolarHBondContact O-N 3.25Å; T287-K290 PolarHBondContact O-N 3.39Å; T287-G291 PolarHBondContact O-N 3.42Å |
| 288 | Q | 55.6 | Low | 65.1 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.3 | -28.7 | 175.9 | -68.3 | -69.8 | 33.2 | 0 | 0 | 113.6 | I284 E285 K290 F292 | I284-Q288 VanDerWaalsContact O-CG 3.28Å; I284-Q288 WeakPolarHBondContact O-CG 3.43Å; I284-Q288 PolarHBondContact O-N 3.45Å; E285-Q288 PolarHBondContact O-N 3.4Å; Q288-K290 VanDerWaalsContact C-N 3.33Å; Q288-K290 PolarHBondContact O-N 3.42Å; Q288-F292 HydrophobicContact CB-CD2 4.37Å; Q288-F292 WeakPolarHBondContact O-CD2 3.44Å; Q288-F292 VanDerWaalsContact OE1-CD2 3.29Å |
| 289 | G | 53.5 | Low | 63.2 | Low | 52 Ų | 52 | 114.4 Ų | 114.4 | 54% | 0.536 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.2 | -20.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | E285 T287 | E285-G289 PolarHBondContact O-N 3.47Å; T287-G289 VanDerWaalsContact C-N 3.32Å; T287-G289 PolarHBondContact O-N 3.25Å |
| 290 | K | 50.8 | Low | 61.3 | Low | 175 Ų | 175 | 113.7 Ų | 113.7 | 76% | 0.761 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -108.1 | -26.8 | -179.9 | -76.8 | -171 | 174.5 | -176.8 | 0 | 114.3 | T287 Q288 | T287-K290 PolarHBondContact O-N 3.39Å; Q288-K290 VanDerWaalsContact C-N 3.33Å; Q288-K290 PolarHBondContact O-N 3.42Å |
| 291 | G | 48.1 | Very low | 59.6 | Low | 37 Ų | 37 | 118.2 Ų | 118.2 | 38% | 0.381 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75.3 | -36.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | T287 E294 E295 | T287-G291 PolarHBondContact O-N 3.42Å; G291-E294 PolarHBondContact O-N 3.45Å; G291-E295 WeakPolarHBondContact O-CB 3.28Å; G291-E295 PolarHBondContact O-N 3.47Å; G291-E295 VanDerWaalsContact O-N 3.17Å |
| 292 | F | 47.4 | Very low | 58 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 56% | 0.557 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.5 | -35.6 | -175.9 | -91.7 | -79.3 | 0 | 0 | 0 | 113.6 | Q288 Q296 | Q288-F292 HydrophobicContact CB-CD2 4.37Å; Q288-F292 WeakPolarHBondContact O-CD2 3.44Å; Q288-F292 VanDerWaalsContact OE1-CD2 3.29Å; F292-Q296 WeakPolarHBondContact O-CB 3.37Å; F292-Q296 PolarHBondContact O-N 3.13Å; F292-Q296 VanDerWaalsContact O-N 3.13Å |
| 293 | E | 52.4 | Low | 56.3 | Low | 134 Ų | 134 | 119.1 Ų | 119.1 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.9 | -31.2 | 178.1 | -73.6 | -166.3 | 149.9 | 0 | 0 | 113 | R297 | E293-R297 VanDerWaalsContact O-CG 3.28Å; E293-R297 WeakPolarHBondContact O-CG 3.47Å; E293-R297 PolarHBondContact O-N 3.17Å |
| 294 | E | 53.9 | Low | 54.3 | Low | 141 Ų | 141 | 118 Ų | 118 | 66% | 0.659 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.4 | -33.6 | -178.2 | -156.8 | 168.2 | -169.4 | 0 | 0 | 111.8 | G291 R298 | G291-E294 PolarHBondContact O-N 3.45Å; E294-R298 PolarHBondContact O-N 3.22Å |
| 295 | E | 54.3 | Low | 52.3 | Low | 150 Ų | 150 | 116.4 Ų | 116.4 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.9 | -37.4 | 176 | -165.1 | 129.6 | -141.5 | 0 | 0 | 112.2 | G291 R297 R298 A299 | G291-E295 WeakPolarHBondContact O-CB 3.28Å; G291-E295 PolarHBondContact O-N 3.47Å; G291-E295 VanDerWaalsContact O-N 3.17Å; E295-R297 VanDerWaalsContact C-N 3.34Å; E295-R297 PolarHBondContact O-N 3.46Å; E295-R298 PolarHBondContact O-N 3.42Å; E295-A299 PolarHBondContact O-N 3.48Å; E295-A299 VanDerWaalsContact O-N 3.17Å |
| 296 | Q | 52.8 | Low | 50.3 | Low | 123 Ų | 123 | 122.1 Ų | 122.1 | 58% | 0.575 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.1 | -34.3 | 175.8 | -149.2 | 83.7 | 48.4 | 0 | 0 | 112.3 | F292 R298 A299 V300 | F292-Q296 WeakPolarHBondContact O-CB 3.37Å; F292-Q296 PolarHBondContact O-N 3.13Å; F292-Q296 VanDerWaalsContact O-N 3.13Å; Q296-R298 VanDerWaalsContact C-N 3.31Å; Q296-R298 PolarHBondContact O-N 3.17Å; Q296-A299 PolarHBondContact O-N 3.41Å; Q296-V300 WeakPolarHBondContact O-CG2 3.37Å; Q296-V300 PolarHBondContact O-N 3.42Å |
| 297 | R | 56.1 | Low | 49.2 | Very low | 184 Ų | 184 | 126.7 Ų | 126.7 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.4 | -23.9 | 176.1 | -73.3 | 175.7 | -171.7 | -112.1 | 3.4 | 113.4 | E293 E295 | E293-R297 VanDerWaalsContact O-CG 3.28Å; E293-R297 WeakPolarHBondContact O-CG 3.47Å; E293-R297 PolarHBondContact O-N 3.17Å; E295-R297 VanDerWaalsContact C-N 3.34Å; E295-R297 PolarHBondContact O-N 3.46Å |
| 298 | R | 56 | Low | 48.4 | Very low | 198 Ų | 198 | 129 Ų | 129 | 75% | 0.747 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -82.6 | -31.2 | 174.1 | -76.7 | -176.5 | 168.5 | -120.5 | -0.3 | 112.9 | E294 E295 Q296 | E294-R298 PolarHBondContact O-N 3.22Å; E295-R298 PolarHBondContact O-N 3.42Å; Q296-R298 VanDerWaalsContact C-N 3.31Å; Q296-R298 PolarHBondContact O-N 3.17Å |
| 299 | A | 51.3 | Low | 47.7 | Very low | 56 Ų | 56 | 129 Ų | 129 | 46% | 0.463 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -74.6 | -29.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E295 Q296 I301 | E295-A299 PolarHBondContact O-N 3.48Å; E295-A299 VanDerWaalsContact O-N 3.17Å; Q296-A299 PolarHBondContact O-N 3.41Å; A299-I301 VanDerWaalsContact C-N 3.31Å; A299-I301 PolarHBondContact O-N 3.37Å |
| 300 | V | 47.6 | Very low | 46.8 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -17.6 | -175.6 | 171.5 | 0 | 0 | 0 | 0 | 113.6 | Q296 | Q296-V300 WeakPolarHBondContact O-CG2 3.37Å; Q296-V300 PolarHBondContact O-N 3.42Å |
| 301 | I | 49.7 | Very low | 46.4 | Very low | 146 Ų | 146 | 130 Ų | 130 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -14.2 | -177.1 | -59.3 | 175 | 0 | 0 | 0 | 112.4 | A299 | A299-I301 VanDerWaalsContact C-N 3.31Å; A299-I301 PolarHBondContact O-N 3.37Å |
| 302 | V | 52.3 | Low | 46 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -101.2 | -12.5 | -166.7 | 178.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 303 | S | 45.9 | Very low | 45.6 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -108.8 | 74.4 | -175 | 38.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 304 | S | 38.8 | Very low | 45.1 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -114.1 | 112.7 | 157.9 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 305 | G | 36.5 | Very low | 44.8 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 108.1 | 95 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 306 | R | 34.6 | Very low | 44.8 | Very low | 252 Ų | 252 | 130.9 Ų | 130.9 | 95% | 0.951 | 76% | 0.762 | S | S | * | * | 172.6 | 131.8 | 106.2 | -101.5 | -178.1 | 179.6 | -122.2 | 0.9 | 112 | |||||
| 307 | I | 41.6 | Very low | 44.4 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -81.9 | 146.4 | 167.5 | -62.2 | -178.6 | 0 | 0 | 0 | 108.6 | ||||
| 308 | L | 36.7 | Very low | 44.1 | Very low | 149 Ų | 149 | 126 Ų | 126 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 162.4 | 121.7 | 126 | -81.7 | 169 | 0 | 0 | 0 | 112.7 | |||||
| 309 | S | 41.4 | Very low | 43.5 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 30 | 144.5 | 138 | -35.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 310 | D | 34.1 | Very low | 43.3 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | cis | -171.6 | 169.1 | 48.8 | -153.3 | -5.4 | 0 | 0 | 0 | 112.3 | ||||
| 311 | A | 43.7 | Very low | 43.2 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -83.4 | 168.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 312 | A | 39.6 | Very low | 42.8 | Very low | 110 Ų | 110 | 123 Ų | 123 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 135.1 | 134.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 313 | G | 37.4 | Very low | 43.3 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | 168.8 | 161.5 | 3.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 314 | S | 43.5 | Very low | 43.8 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 81.8 | 96.9 | 154.8 | -57.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 315 | D | 47.8 | Very low | 44.3 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | 24.7 | 129.9 | 112.4 | -62.3 | -29.5 | 0 | 0 | 0 | 120.7 | |||||
| 316 | T | 52.5 | Low | 44.8 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 96% | 0.963 | 79% | 0.789 | S | S | * | * | -160.4 | 143.3 | 123.5 | 21.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 317 | A | 45.3 | Very low | 45.5 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -113 | 149.2 | -163.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 318 | S | 49.7 | Very low | 45.5 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 71.1 | 142.5 | 133.8 | -133.7 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 319 | N | 43.7 | Very low | 46.9 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | trans | 92.5 | 116.2 | 156.1 | -84.8 | 32.5 | 0 | 0 | 0 | 118.4 | ||||
| 320 | S | 47.3 | Very low | 47.1 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | 63.9 | 132.1 | 55.4 | -48.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 321 | D | 45.3 | Very low | 47.8 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | cis | -152.2 | 170.5 | 18.1 | -78.5 | -58.1 | 0 | 0 | 0 | 105.3 | ||||
| 322 | G | 40.4 | Very low | 48 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | cis | 171.6 | 168.7 | 14.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 323 | P | 62.8 | Low | 48.5 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -96.4 | 151.9 | 179.9 | 36.4 | -28.3 | 0 | 0 | 0 | 111.3 | ||||
| 324 | D | 56 | Low | 49.2 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 95% | 0.952 | 82% | 0.815 | S | S | * | * | trans | -151.6 | 157.1 | 164.2 | -89.6 | -44.3 | 0 | 0 | 0 | 112.4 | ||||
| 325 | D | 49.4 | Very low | 49.6 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | trans | -108.5 | 171.2 | -143.4 | -170.1 | 19.2 | 0 | 0 | 0 | 113.3 | ||||
| 326 | C | 47.7 | Very low | 49.7 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 66% | 0.655 | 81% | 0.814 | S | S | * | * | trans | 51.2 | 120.9 | 150.8 | -85.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 327 | S | 49.6 | Very low | 49.5 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | 163.8 | 140.2 | 103.5 | -71.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 328 | L | 41.6 | Very low | 49.9 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -63.5 | 169.6 | 169.4 | -70.7 | 163.8 | 0 | 0 | 0 | 112.3 | ||||
| 329 | P | 65 | Low | 49.9 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 100% | 1.24 | 81% | 0.809 | S | S | * | * | -111.9 | 0 | 71.5 | -5.9 | 26.2 | 0 | 0 | 0 | 115.4 |
Retrieved 329 of 329 residues in 360.9 ms
(Link to these results)