| 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 | 38 | Very low | 35.9 | Very low | 233 Ų | 233 | 155.9 Ų | 155.9 | 100% | 1.148 | 83% | 0.829 | S | S | * | * | 0 | 80.7 | 0 | -60.1 | -168.1 | -159.9 | 0 | 0 | 104.8 | |||||
| 2 | D | 32.5 | Very low | 36.5 | Very low | 152 Ų | 152 | 155.2 Ų | 155.2 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | 57.3 | 126.2 | 83.7 | -70.9 | -11.3 | 0 | 0 | 0 | 109.8 | |||||
| 3 | N | 32.4 | Very low | 36.2 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | cis | -173.5 | 153.3 | 11.4 | -137.5 | -12.1 | 0 | 0 | 0 | 107.8 | ||||
| 4 | S | 35.2 | Very low | 36.4 | Very low | 91 Ų | 91 | 151.4 Ų | 151.4 | 64% | 0.636 | 83% | 0.832 | S | S | * | * | trans | 55.6 | 151.5 | 135.6 | -90.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 5 | L | 38.3 | Very low | 36.5 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 80% | 0.801 | 83% | 0.83 | S | S | * | * | cis | -162.6 | 150.7 | 12.9 | -132.4 | 140.6 | 0 | 0 | 0 | 108.3 | ||||
| 6 | D | 35.5 | Very low | 36.3 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | -63.4 | 163.7 | 168.6 | -130.6 | -23.6 | 0 | 0 | 0 | 113.2 | ||||
| 7 | Q | 34.2 | Very low | 36.3 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | 142.9 | 116.9 | 128.9 | -163.8 | 160.2 | 53.2 | 0 | 0 | 117.1 | |||||
| 8 | M | 37.3 | Very low | 37 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | 30.2 | 140.7 | 144.5 | -76.4 | 173.1 | 148.1 | 0 | 0 | 123 | ||||
| 9 | V | 35.3 | Very low | 37.3 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | 176 | 132.4 | 110.7 | 153.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 10 | E | 42 | Very low | 37.5 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -66.9 | 155.4 | 170 | -75.7 | 175.6 | 132.2 | 0 | 0 | 113.1 | ||||
| 11 | T | 34.3 | Very low | 37.9 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -168.5 | 145.2 | 136.1 | 19.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | V | 43.4 | Very low | 37.8 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -77.3 | 153.5 | -176.8 | 165.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 13 | G | 32 | Very low | 38.1 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 180 | 127.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 14 | Q | 39.4 | Very low | 38.7 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -91.3 | 165.6 | -170.2 | -65.6 | 170.3 | -62.7 | 0 | 0 | 115.5 | ||||
| 15 | N | 37.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | 88.7 | 124.1 | 139.9 | -106.8 | 3.3 | 0 | 0 | 0 | 121.9 | ||||
| 16 | E | 33.9 | Very low | 39.7 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | -170.9 | 138.2 | 117.9 | -102.9 | 177.7 | 174.1 | 0 | 0 | 111.6 | |||||
| 17 | G | 35.4 | Very low | 40.8 | Very low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | trans | -76.1 | -170 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 18 | P | 49.3 | Very low | 42 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | -145.1 | -163.9 | 54.3 | 34 | -10.2 | 0 | 0 | 0 | 112.3 | |||||
| 19 | A | 42.3 | Very low | 43.5 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | cis | -165.2 | 161.2 | -42.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 20 | A | 42.3 | Very low | 45.7 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | 84.9 | 123 | 152.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 21 | E | 44.7 | Very low | 47.6 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -81.1 | 166.6 | 177.4 | -55.3 | 173.5 | 140.2 | 0 | 0 | 113.1 | ||||
| 22 | D | 36.5 | Very low | 50.1 | Low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -150.6 | 123.8 | 138.6 | -146.6 | 4.1 | 0 | 0 | 0 | 110.9 | ||||
| 23 | Y | 38.4 | Very low | 52.1 | Low | 195 Ų | 195 | 125 Ų | 125 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | -119.1 | 138.8 | 173 | -82.7 | -84.6 | 0 | 0 | 0 | 108.2 | ||||
| 24 | P | 45.2 | Very low | 54.7 | Low | 124 Ų | 124 | 126.7 Ų | 126.7 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -86.7 | 127.9 | 177.9 | 32.7 | -29.6 | 0 | 0 | 0 | 112.8 | ||||
| 25 | A | 45.2 | Very low | 57 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | 32 | 114.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 26 | Q | 49.6 | Very low | 59.7 | Low | 177 Ų | 177 | 124 Ų | 124 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | trans | -77.9 | 118.7 | 170.6 | -173.5 | 176.1 | -18.2 | 0 | 0 | 110.8 | D28 | Q26-D28 PolarHBondContact O-N 3.37Š| ||
| 27 | E | 57.9 | Low | 62.4 | Low | 186 Ų | 186 | 118.7 Ų | 118.7 | 87% | 0.869 | 68% | 0.682 | S | S | * | * | trans | -72.1 | 117.5 | 165.4 | -97.3 | -177.1 | 154.9 | 0 | 0 | 109.2 | T29 | E27-T29 PolarHBondContact O-N 3.13Š| ||
| 28 | D | 60.9 | Low | 65.1 | Low | 150 Ų | 150 | 122.7 Ų | 122.7 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | trans | -64.2 | 115.1 | 175.8 | -79.7 | -33.5 | 0 | 0 | 0 | 110.5 | Q26 S30 | Q26-D28 PolarHBondContact O-N 3.37Å; D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 VanDerWaalsContact O-N 3.16Å | ||
| 29 | T | 68.5 | Low | 67.3 | Low | 82 Ų | 82 | 121.8 Ų | 121.8 | 50% | 0.503 | 66% | 0.664 | S | S | . | * | trans | -62.5 | 115 | 178 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | E27 D33 M34 I37 | E27-T29 PolarHBondContact O-N 3.13Å; T29-D33 HydrophobicContact CG2-CB 3.55Å; T29-M34 HydrophobicContact CG2-CG 4.08Å; T29-I37 HydrophobicContact CG2-CD1 4.35Å | ||
| 30 | S | 81.8 | Confident | 69.7 | Low | 55 Ų | 55 | 122.4 Ų | 122.4 | 39% | 0.385 | 65% | 0.651 | S | S | . | * | trans | -58.4 | 148.1 | -178.6 | 171 | 0 | 0 | 0 | 0 | 111.3 | D28 A32 D33 M34 | D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 VanDerWaalsContact O-N 3.16Å; S30-A32 PolarHBondContact O-N 3.3Å; S30-A32 PolarHBondContact OG-N 3.25Å; S30-D33 WeakPolarHBondContact CB-OD2 3.37Å; S30-D33 PolarHBondContact N-OD2 3.23Å; S30-D33 WeakPolarHBondContact O-CA 3.43Å; S30-D33 WeakPolarHBondContact O-CB 3.18Å; S30-D33 PolarHBondContact O-N 2.88Å; S30-M34 PolarHBondContact O-N 3.38Å; S30-M34 VanDerWaalsContact O-N 3.09Å | ||
| 31 | P | 81.3 | Confident | 72.2 | Confident | 91 Ų | 91 | 122.8 Ų | 122.8 | 59% | 0.591 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.4 | -29.9 | 173.6 | -28.1 | 35.1 | 0 | 0 | 0 | 114.4 | M34 L35 | P31-M34 HydrophobicContact CB-CE 4.3Å; P31-M34 HydrophobicContact CG-CE 4.43Å; P31-L35 WeakPolarHBondContact O-CG 3.28Å; P31-L35 PolarHBondContact O-N 3.21Å; P31-L35 VanDerWaalsContact O-N 3.14Å |
| 32 | A | 86.2 | Confident | 74.5 | Confident | 62 Ų | 62 | 117.2 Ų | 117.2 | 51% | 0.512 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.7 | -36.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S30 L35 R36 | S30-A32 PolarHBondContact O-N 3.3Å; S30-A32 PolarHBondContact OG-N 3.25Å; A32-L35 PolarHBondContact O-N 3.15Å; A32-R36 WeakPolarHBondContact O-CB 3.49Å; A32-R36 PolarHBondContact O-N 2.94Å |
| 33 | D | 85.6 | Confident | 77.3 | Confident | 63 Ų | 63 | 113 Ų | 113 | 34% | 0.337 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.2 | -38.6 | 176.9 | -64.1 | -39.4 | 0 | 0 | 0 | 110.9 | T29 S30 L35 R36 I37 | T29-D33 HydrophobicContact CG2-CB 3.55Å; S30-D33 WeakPolarHBondContact CB-OD2 3.37Å; S30-D33 PolarHBondContact N-OD2 3.23Å; S30-D33 WeakPolarHBondContact O-CA 3.43Å; S30-D33 WeakPolarHBondContact O-CB 3.18Å; S30-D33 PolarHBondContact O-N 2.88Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.65Å; D33-R36 WeakPolarHBondContact O-CB 3.42Å; D33-R36 PolarHBondContact O-N 3.28Å; D33-R36 IonicContact OD1-NH1 3.21Å; D33-I37 WeakPolarHBondContact O-CB 3.45Å; D33-I37 VanDerWaalsContact O-CG1 3.25Å; D33-I37 WeakPolarHBondContact O-CG1 3.42Å; D33-I37 PolarHBondContact O-N 3.38Å |
| 34 | M | 86.4 | Confident | 79.8 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.5 | -41.8 | 172.1 | -69.3 | -166.4 | -75.3 | 0 | 0 | 112.3 | T29 S30 P31 I37 K38 | T29-M34 HydrophobicContact CG2-CG 4.08Å; S30-M34 PolarHBondContact O-N 3.38Å; S30-M34 VanDerWaalsContact O-N 3.09Å; P31-M34 HydrophobicContact CB-CE 4.3Å; P31-M34 HydrophobicContact CG-CE 4.43Å; M34-I37 PolarHBondContact O-N 3.12Å; M34-K38 WeakPolarHBondContact O-CB 3.19Å; M34-K38 PolarHBondContact O-N 2.98Å |
| 35 | L | 89.3 | Confident | 82 | Confident | 120 Ų | 120 | 107.1 Ų | 107.1 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.1 | -40 | 175.3 | -75.6 | 169.2 | 0 | 0 | 0 | 111.9 | P31 A32 D33 K38 Q39 | P31-L35 WeakPolarHBondContact O-CG 3.28Å; P31-L35 PolarHBondContact O-N 3.21Å; P31-L35 VanDerWaalsContact O-N 3.14Å; A32-L35 PolarHBondContact O-N 3.15Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-L35 PolarHBondContact O-N 2.65Å; L35-K38 PolarHBondContact O-N 3.07Å; L35-Q39 PolarHBondContact O-N 3.19Å |
| 36 | R | 92.2 | Very high | 84.4 | Confident | 158 Ų | 158 | 108.9 Ų | 108.9 | 60% | 0.596 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -45.9 | 175.7 | -176.5 | -178.2 | -73.5 | 164.5 | -4 | 111.5 | A32 D33 Q39 Q40 | A32-R36 WeakPolarHBondContact O-CB 3.49Å; A32-R36 PolarHBondContact O-N 2.94Å; D33-R36 WeakPolarHBondContact O-CB 3.42Å; D33-R36 PolarHBondContact O-N 3.28Å; D33-R36 IonicContact OD1-NH1 3.21Å; R36-Q39 PolarHBondContact O-N 3.47Å; R36-Q40 WeakPolarHBondContact O-CG 3.5Å; R36-Q40 PolarHBondContact O-N 3.14Å |
| 37 | I | 91.2 | Very high | 86.3 | Confident | 80 Ų | 80 | 105.8 Ų | 105.8 | 41% | 0.41 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177 | -68.9 | 164.2 | 0 | 0 | 0 | 110.2 | T29 D33 M34 Q39 Q40 M41 | T29-I37 HydrophobicContact CG2-CD1 4.35Å; D33-I37 WeakPolarHBondContact O-CB 3.45Å; D33-I37 VanDerWaalsContact O-CG1 3.25Å; D33-I37 WeakPolarHBondContact O-CG1 3.42Å; D33-I37 PolarHBondContact O-N 3.38Å; M34-I37 PolarHBondContact O-N 3.12Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.33Å; I37-Q40 PolarHBondContact O-N 3.48Å; I37-M41 HydrophobicContact CG2-CG 4.35Å; I37-M41 HydrophobicContact CG2-SD 4.07Å; I37-M41 WeakPolarHBondContact O-CG 3.32Å; I37-M41 PolarHBondContact O-N 3.48Å |
| 38 | K | 92.8 | Very high | 87.5 | Confident | 155 Ų | 155 | 102.1 Ų | 102.1 | 67% | 0.674 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.9 | -43.6 | 176.1 | -176.7 | -179 | 176.4 | -179.3 | 0 | 111.9 | M34 L35 M41 A42 | M34-K38 WeakPolarHBondContact O-CB 3.19Å; M34-K38 PolarHBondContact O-N 2.98Å; L35-K38 PolarHBondContact O-N 3.07Å; K38-M41 PolarHBondContact O-N 3.31Å; K38-A42 WeakPolarHBondContact O-CB 3.41Å; K38-A42 PolarHBondContact O-N 3.45Å |
| 39 | Q | 95.2 | Very high | 88.9 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 177.4 | -173.5 | 61.8 | 49.2 | 0 | 0 | 112 | L35 R36 I37 A42 N43 | L35-Q39 PolarHBondContact O-N 3.19Å; R36-Q39 PolarHBondContact O-N 3.47Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.33Å; Q39-A42 PolarHBondContact O-N 3.28Å; Q39-N43 PolarHBondContact NE2-OD1 2.93Å; Q39-N43 VanDerWaalsContact O-CG 3.25Å; Q39-N43 PolarHBondContact O-N 3.43Å; Q39-N43 PolarHBondContact O-OD1 3.4Å |
| 40 | Q | 93.3 | Very high | 89.7 | Confident | 108 Ų | 108 | 97.8 Ų | 97.8 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 176.2 | -76.8 | 177.2 | -24.4 | 0 | 0 | 111.7 | R36 I37 N43 Q44 | R36-Q40 WeakPolarHBondContact O-CG 3.5Å; R36-Q40 PolarHBondContact O-N 3.14Å; I37-Q40 PolarHBondContact O-N 3.48Å; Q40-N43 PolarHBondContact O-N 3.14Å; Q40-Q44 WeakPolarHBondContact O-CG 3.37Å; Q40-Q44 PolarHBondContact O-N 2.91Å |
| 41 | M | 93.4 | Very high | 89.7 | Confident | 112 Ų | 112 | 101.7 Ų | 101.7 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 175.3 | -71.6 | -178.7 | 68.2 | 0 | 0 | 111.8 | I37 K38 N43 Q44 C45 | I37-M41 HydrophobicContact CG2-CG 4.35Å; I37-M41 HydrophobicContact CG2-SD 4.07Å; I37-M41 WeakPolarHBondContact O-CG 3.32Å; I37-M41 PolarHBondContact O-N 3.48Å; K38-M41 PolarHBondContact O-N 3.31Å; M41-N43 VanDerWaalsContact C-N 3.32Å; M41-N43 PolarHBondContact O-N 2.97Å; M41-Q44 PolarHBondContact O-N 3.23Å; M41-C45 WeakPolarHBondContact O-CB 3.38Å; M41-C45 PolarHBondContact O-N 3.28Å; M41-C45 PolarHBondContact O-SG 3.11Å; M41-C45 VanDerWaalsContact O-SG 3.34Å |
| 42 | A | 94.4 | Very high | 89.5 | Confident | 52 Ų | 52 | 102.6 Ų | 102.6 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K38 Q39 C45 F46 | K38-A42 WeakPolarHBondContact O-CB 3.41Å; K38-A42 PolarHBondContact O-N 3.45Å; Q39-A42 PolarHBondContact O-N 3.28Å; A42-C45 PolarHBondContact O-N 2.96Å; A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 2.84Å |
| 43 | N | 93.8 | Very high | 89.1 | Confident | 76 Ų | 76 | 103.6 Ų | 103.6 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.5 | -69.4 | -2.6 | 0 | 0 | 0 | 111.8 | Q39 Q40 M41 C45 F46 E47 | Q39-N43 PolarHBondContact NE2-OD1 2.93Å; Q39-N43 VanDerWaalsContact O-CG 3.25Å; Q39-N43 PolarHBondContact O-N 3.43Å; Q39-N43 PolarHBondContact O-OD1 3.4Å; Q40-N43 PolarHBondContact O-N 3.14Å; M41-N43 VanDerWaalsContact C-N 3.32Å; M41-N43 PolarHBondContact O-N 2.97Å; N43-C45 PolarHBondContact O-N 3.45Å; N43-F46 WeakPolarHBondContact O-CB 3.37Å; N43-F46 PolarHBondContact O-N 2.95Å; N43-E47 WeakPolarHBondContact O-CG 3.43Å; N43-E47 PolarHBondContact O-N 3.21Å |
| 44 | Q | 92.1 | Very high | 88.5 | Confident | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 176 | -76.4 | -179.1 | -3.5 | 0 | 0 | 112.2 | Q40 M41 F46 E47 M48 | Q40-Q44 WeakPolarHBondContact O-CG 3.37Å; Q40-Q44 PolarHBondContact O-N 2.91Å; M41-Q44 PolarHBondContact O-N 3.23Å; Q44-F46 VanDerWaalsContact C-N 3.3Å; Q44-F46 PolarHBondContact O-N 3.44Å; Q44-E47 PolarHBondContact O-N 3.17Å; Q44-M48 VanDerWaalsContact O-CB 3.31Å; Q44-M48 WeakPolarHBondContact O-CB 3.38Å; Q44-M48 PolarHBondContact O-N 3.47Å |
| 45 | C | 91.5 | Very high | 87.2 | Confident | 67 Ų | 67 | 100 Ų | 100 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 174.5 | -74.1 | 0 | 0 | 0 | 0 | 111.8 | M41 A42 N43 T49 | M41-C45 WeakPolarHBondContact O-CB 3.38Å; M41-C45 PolarHBondContact O-N 3.28Å; M41-C45 PolarHBondContact O-SG 3.11Å; M41-C45 VanDerWaalsContact O-SG 3.34Å; A42-C45 PolarHBondContact O-N 2.96Å; N43-C45 PolarHBondContact O-N 3.45Å; C45-T49 WeakPolarHBondContact O-CB 3.46Å; C45-T49 PolarHBondContact O-N 3.43Å; C45-T49 PolarHBondContact O-OG1 3.48Å |
| 46 | F | 94.6 | Very high | 85.8 | Confident | 138 Ų | 138 | 101.9 Ų | 101.9 | 61% | 0.605 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -48.6 | 175.2 | -180 | -99 | 0 | 0 | 0 | 111.6 | A42 N43 Q44 M48 T49 V50 | A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 2.84Å; N43-F46 WeakPolarHBondContact O-CB 3.37Å; N43-F46 PolarHBondContact O-N 2.95Å; Q44-F46 VanDerWaalsContact C-N 3.3Å; Q44-F46 PolarHBondContact O-N 3.44Å; F46-M48 VanDerWaalsContact C-N 3.34Å; F46-M48 PolarHBondContact O-N 2.9Å; F46-T49 WeakPolarHBondContact O-CB 3.46Å; F46-T49 PolarHBondContact O-N 2.92Å; F46-T49 VanDerWaalsContact O-N 3.12Å; F46-V50 HydrophobicContact CD1-CG2 4.09Å; F46-V50 HydrophobicContact CE1-CG2 3.67Å; F46-V50 HydrophobicContact CE2-CG2 4.21Å; F46-V50 HydrophobicContact CZ-CG2 3.73Å; F46-V50 WeakPolarHBondContact O-CG2 3.43Å; F46-V50 PolarHBondContact O-N 2.87Å |
| 47 | E | 89.3 | Confident | 84.1 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 176.9 | -76.1 | 177.2 | -162.2 | 0 | 0 | 111.8 | N43 Q44 T49 V50 Q51 | N43-E47 WeakPolarHBondContact O-CG 3.43Å; N43-E47 PolarHBondContact O-N 3.21Å; Q44-E47 PolarHBondContact O-N 3.17Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.31Å; E47-V50 PolarHBondContact O-N 3.38Å; E47-Q51 WeakPolarHBondContact O-CB 3.42Å; E47-Q51 VanDerWaalsContact O-CG 3.3Å; E47-Q51 WeakPolarHBondContact O-CG 3.3Å; E47-Q51 PolarHBondContact O-N 3.34Å |
| 48 | M | 84.9 | Confident | 82.5 | Confident | 110 Ų | 110 | 103.7 Ų | 103.7 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.7 | -172 | 173.6 | 59.8 | 0 | 0 | 111.5 | Q44 F46 Q51 L52 | Q44-M48 VanDerWaalsContact O-CB 3.31Å; Q44-M48 WeakPolarHBondContact O-CB 3.38Å; Q44-M48 PolarHBondContact O-N 3.47Å; F46-M48 VanDerWaalsContact C-N 3.34Å; F46-M48 PolarHBondContact O-N 2.9Å; M48-Q51 PolarHBondContact O-N 3.35Å; M48-L52 HydrophobicContact CG-CD1 4.4Å; M48-L52 WeakPolarHBondContact O-CB 3.37Å; M48-L52 VanDerWaalsContact O-CG 3.28Å; M48-L52 WeakPolarHBondContact O-CG 3.42Å; M48-L52 PolarHBondContact O-N 2.9Å |
| 49 | T | 88.4 | Confident | 80.7 | Confident | 70 Ų | 70 | 106 Ų | 106 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | C45 F46 E47 L52 N53 | C45-T49 WeakPolarHBondContact O-CB 3.46Å; C45-T49 PolarHBondContact O-N 3.43Å; C45-T49 PolarHBondContact O-OG1 3.48Å; F46-T49 WeakPolarHBondContact O-CB 3.46Å; F46-T49 PolarHBondContact O-N 2.92Å; F46-T49 VanDerWaalsContact O-N 3.12Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.31Å; T49-L52 PolarHBondContact O-N 3.02Å; T49-N53 WeakPolarHBondContact O-CB 3.45Å; T49-N53 PolarHBondContact O-N 2.89Å; T49-N53 PolarHBondContact O-ND2 3.43Å; T49-N53 VanDerWaalsContact O-ND2 3.16Å |
| 50 | V | 85.4 | Confident | 78.8 | Confident | 71 Ų | 71 | 105.6 Ų | 105.6 | 43% | 0.43 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -43.7 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | F46 E47 N53 A54 | F46-V50 HydrophobicContact CD1-CG2 4.09Å; F46-V50 HydrophobicContact CE1-CG2 3.67Å; F46-V50 HydrophobicContact CE2-CG2 4.21Å; F46-V50 HydrophobicContact CZ-CG2 3.73Å; F46-V50 WeakPolarHBondContact O-CG2 3.43Å; F46-V50 PolarHBondContact O-N 2.87Å; E47-V50 PolarHBondContact O-N 3.38Å; V50-N53 PolarHBondContact O-N 2.92Å; V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 2.96Å |
| 51 | Q | 82.9 | Confident | 76.9 | Confident | 136 Ų | 136 | 104.4 Ų | 104.4 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -41.1 | 177 | -72.5 | -179.8 | 33.5 | 0 | 0 | 112.2 | E47 M48 A54 G55 | E47-Q51 WeakPolarHBondContact O-CB 3.42Å; E47-Q51 VanDerWaalsContact O-CG 3.3Å; E47-Q51 WeakPolarHBondContact O-CG 3.3Å; E47-Q51 PolarHBondContact O-N 3.34Å; M48-Q51 PolarHBondContact O-N 3.35Å; Q51-A54 PolarHBondContact O-N 2.95Å; Q51-G55 PolarHBondContact O-N 3.21Å |
| 52 | L | 77.5 | Confident | 75.4 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 174 | -76.1 | 171.6 | 0 | 0 | 0 | 111.8 | M48 T49 G55 K56 | M48-L52 HydrophobicContact CG-CD1 4.4Å; M48-L52 WeakPolarHBondContact O-CB 3.37Å; M48-L52 VanDerWaalsContact O-CG 3.28Å; M48-L52 WeakPolarHBondContact O-CG 3.42Å; M48-L52 PolarHBondContact O-N 2.9Å; T49-L52 PolarHBondContact O-N 3.02Å; L52-G55 PolarHBondContact O-N 3.41Å; L52-K56 WeakPolarHBondContact O-CG 3.3Å; L52-K56 PolarHBondContact O-N 2.99Å |
| 53 | N | 76.9 | Confident | 73.8 | Confident | 83 Ų | 83 | 103 Ų | 103 | 44% | 0.444 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75.1 | -33.7 | 178.3 | -72.3 | -34.3 | 0 | 0 | 0 | 112.7 | T49 V50 G55 K56 | T49-N53 WeakPolarHBondContact O-CB 3.45Å; T49-N53 PolarHBondContact O-N 2.89Å; T49-N53 PolarHBondContact O-ND2 3.43Å; T49-N53 VanDerWaalsContact O-ND2 3.16Å; V50-N53 PolarHBondContact O-N 2.92Å; N53-G55 VanDerWaalsContact C-N 3.34Å; N53-K56 PolarHBondContact O-N 3.47Å; N53-K56 PolarHBondContact OD1-NZ 2.83Å |
| 54 | A | 72.8 | Confident | 72.6 | Confident | 57 Ų | 57 | 103 Ų | 103 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -33.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V50 Q51 K56 S57 | V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 2.96Å; Q51-A54 PolarHBondContact O-N 2.95Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.32Å; A54-S57 WeakPolarHBondContact O-CB 3.36Å; A54-S57 PolarHBondContact O-N 3.25Å |
| 55 | G | 59.3 | Low | 71.2 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -27.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q51 L52 N53 S57 K58 | Q51-G55 PolarHBondContact O-N 3.21Å; L52-G55 PolarHBondContact O-N 3.41Å; N53-G55 VanDerWaalsContact C-N 3.34Å; G55-S57 PolarHBondContact O-N 2.86Å; G55-K58 PolarHBondContact O-N 3.31Å |
| 56 | K | 60.5 | Low | 70.1 | Confident | 159 Ų | 159 | 100.6 Ų | 100.6 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20.7 | 172.1 | -68.4 | 170.6 | -173.1 | 166.9 | 0 | 113.5 | L52 N53 A54 | L52-K56 WeakPolarHBondContact O-CG 3.3Å; L52-K56 PolarHBondContact O-N 2.99Å; N53-K56 PolarHBondContact O-N 3.47Å; N53-K56 PolarHBondContact OD1-NZ 2.83Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.32Å |
| 57 | S | 56.3 | Low | 69.1 | Low | 106 Ų | 106 | 100 Ų | 100 | 74% | 0.741 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -23.5 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 113 | A54 G55 R59 | A54-S57 WeakPolarHBondContact O-CB 3.36Å; A54-S57 PolarHBondContact O-N 3.25Å; G55-S57 PolarHBondContact O-N 2.86Å; S57-R59 PolarHBondContact O-N 3.35Å; S57-R59 VanDerWaalsContact O-N 3.09Å |
| 58 | K | 57.6 | Low | 68.6 | Low | 170 Ų | 170 | 104.2 Ų | 104.2 | 74% | 0.739 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -78.2 | 98.8 | 169.4 | -73.2 | -176 | 179.9 | 179.3 | 0 | 108 | G55 P60 | G55-K58 PolarHBondContact O-N 3.31Å; K58-P60 WeakPolarHBondContact O-CD 3.49Å |
| 59 | R | 55 | Low | 68.6 | Low | 203 Ų | 203 | 103.2 Ų | 103.2 | 77% | 0.766 | 55% | 0.554 | S | S | * | * | trans | -32.9 | 103.1 | 167.4 | 175.7 | -177.4 | -90.3 | 168.8 | -7.6 | 108.8 | S57 C61 | S57-R59 PolarHBondContact O-N 3.35Å; S57-R59 VanDerWaalsContact O-N 3.09Å; R59-C61 PolarHBondContact O-N 3.28Å | ||
| 60 | P | 54.6 | Low | 68.6 | Low | 104 Ų | 104 | 104.4 Ų | 104.4 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | trans | -57.8 | 141.3 | 161.3 | 26.8 | -30.8 | 0 | 0 | 0 | 105.1 | K58 S62 | K58-P60 WeakPolarHBondContact O-CD 3.49Å; P60-S62 WeakPolarHBondContact O-CA 3.49Å; P60-S62 PolarHBondContact O-N 3.34Å | ||
| 61 | C | 54.7 | Low | 69 | Low | 83 Ų | 83 | 104.7 Ų | 104.7 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -25.5 | 110.3 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | R59 T63 | R59-C61 PolarHBondContact O-N 3.28Å; C61-T63 PolarHBondContact O-N 2.96Å; C61-T63 VanDerWaalsContact O-N 3.09Å |
| 62 | S | 59.9 | Low | 69.5 | Low | 34 Ų | 34 | 103.9 Ų | 103.9 | 24% | 0.238 | 56% | 0.56 | C | S | . | * | trans | -49.5 | 126.7 | -168.2 | -6.5 | 0 | 0 | 0 | 0 | 107.1 | P60 S64 Q65 A66 | P60-S62 WeakPolarHBondContact O-CA 3.49Å; P60-S62 PolarHBondContact O-N 3.34Å; S62-S64 PolarHBondContact O-N 2.99Å; S62-Q65 PolarHBondContact O-N 3.49Å; S62-A66 PolarHBondContact O-N 2.97Å | ||
| 63 | T | 61.3 | Low | 70.1 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -48 | -32.2 | -176.8 | -40.6 | 0 | 0 | 0 | 0 | 111.5 | C61 Q65 A66 E67 | C61-T63 PolarHBondContact O-N 2.96Å; C61-T63 VanDerWaalsContact O-N 3.09Å; T63-Q65 PolarHBondContact O-N 3.18Å; T63-A66 PolarHBondContact O-N 2.89Å; T63-E67 HydrophobicContact CG2-CG 4.46Å; T63-E67 WeakPolarHBondContact CG2-OE1 3.3Å; T63-E67 WeakPolarHBondContact O-CB 3.29Å; T63-E67 VanDerWaalsContact O-CG 3.22Å; T63-E67 WeakPolarHBondContact O-CG 3.38Å; T63-E67 PolarHBondContact O-N 2.91Å |
| 64 | S | 68.3 | Low | 71 | Confident | 77 Ų | 77 | 102.4 Ų | 102.4 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.8 | -26.1 | 174.9 | 79 | 0 | 0 | 0 | 0 | 116.3 | S62 R68 | S62-S64 PolarHBondContact O-N 2.99Å; S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 3.29Å |
| 65 | Q | 64.2 | Low | 72.1 | Confident | 95 Ų | 95 | 103.3 Ų | 103.3 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -81 | -43.3 | 175.3 | -178.8 | 164.4 | 0.2 | 0 | 0 | 110.5 | S62 T63 E67 R68 E69 | S62-Q65 PolarHBondContact O-N 3.49Å; T63-Q65 PolarHBondContact O-N 3.18Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.33Å; Q65-R68 PolarHBondContact O-N 3.3Å; Q65-R68 VanDerWaalsContact O-N 3.17Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.48Å; Q65-E69 PolarHBondContact NE2-OE1 3.02Å; Q65-E69 WeakPolarHBondContact O-CG 3.35Å; Q65-E69 PolarHBondContact O-N 3.38Å |
| 66 | A | 66.8 | Low | 73.8 | Confident | 51 Ų | 51 | 105.5 Ų | 105.5 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -39.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S62 T63 R68 E69 L70 | S62-A66 PolarHBondContact O-N 2.97Å; T63-A66 PolarHBondContact O-N 2.89Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-E69 PolarHBondContact O-N 2.93Å; A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.37Å |
| 67 | E | 74.3 | Confident | 75.5 | Confident | 125 Ų | 125 | 103.6 Ų | 103.6 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.2 | -33 | 173.9 | -75.3 | 168.7 | -178.4 | 0 | 0 | 112.9 | T63 Q65 | T63-E67 HydrophobicContact CG2-CG 4.46Å; T63-E67 WeakPolarHBondContact CG2-OE1 3.3Å; T63-E67 WeakPolarHBondContact O-CB 3.29Å; T63-E67 VanDerWaalsContact O-CG 3.22Å; T63-E67 WeakPolarHBondContact O-CG 3.38Å; T63-E67 PolarHBondContact O-N 2.91Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.33Å |
| 68 | R | 79.6 | Confident | 77.5 | Confident | 199 Ų | 199 | 104.7 Ų | 104.7 | 75% | 0.751 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.3 | -36.5 | 176.5 | -173.6 | -173 | -68.9 | -166.9 | -2.8 | 112.2 | S64 Q65 A66 P71 | S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 3.29Å; Q65-R68 PolarHBondContact O-N 3.3Å; Q65-R68 VanDerWaalsContact O-N 3.17Å; A66-R68 VanDerWaalsContact C-N 3.33Å; R68-P71 WeakPolarHBondContact O-CD 3.36Å |
| 69 | E | 84.8 | Confident | 79.4 | Confident | 90 Ų | 90 | 102.7 Ų | 102.7 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -85.3 | -13.1 | -178.6 | -67.7 | 170.9 | -163 | 0 | 0 | 112.8 | Q65 A66 D72 C73 | Q65-E69 WeakPolarHBondContact CG-OE1 3.48Å; Q65-E69 PolarHBondContact NE2-OE1 3.02Å; Q65-E69 WeakPolarHBondContact O-CG 3.35Å; Q65-E69 PolarHBondContact O-N 3.38Å; A66-E69 PolarHBondContact O-N 2.93Å; E69-D72 PolarHBondContact O-N 3.21Å; E69-C73 PolarHBondContact O-N 3.3Å; E69-C73 PolarHBondContact O-SG 3.34Å; E69-C73 VanDerWaalsContact O-SG 3.33Å |
| 70 | L | 89 | Confident | 81.5 | Confident | 94 Ų | 94 | 96.4 Ų | 96.4 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | -179.3 | -178.2 | 64.3 | 0 | 0 | 0 | 113.9 | A66 D72 C73 I74 | A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.37Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 2.97Å; L70-C73 PolarHBondContact O-N 2.95Å; L70-I74 HydrophobicContact CD1-CD1 3.99Å; L70-I74 HydrophobicContact CD1-CG1 4.18Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 HydrophobicContact CG-CG1 4.43Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.99Å |
| 71 | P | 92.3 | Very high | 83.5 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.5 | -22.7 | 34.9 | 0 | 0 | 0 | 112.7 | R68 I74 S75 | R68-P71 WeakPolarHBondContact O-CD 3.36Å; P71-I74 PolarHBondContact O-N 2.91Å; P71-S75 WeakPolarHBondContact O-CB 3.37Å; P71-S75 PolarHBondContact O-N 3.34Å |
| 72 | D | 92.9 | Very high | 85.6 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.7 | -42.4 | 178.6 | -67.4 | -16.4 | 0 | 0 | 0 | 110.7 | E69 L70 I74 S75 E76 | E69-D72 PolarHBondContact O-N 3.21Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 2.97Å; D72-I74 PolarHBondContact O-N 3.43Å; D72-S75 PolarHBondContact O-N 3.49Å; D72-E76 WeakPolarHBondContact O-CB 3.3Å; D72-E76 PolarHBondContact O-N 3.43Å |
| 73 | C | 91.3 | Very high | 87.4 | Confident | 78 Ų | 78 | 100.1 Ų | 100.1 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.4 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | E69 L70 L77 | E69-C73 PolarHBondContact O-N 3.3Å; E69-C73 PolarHBondContact O-SG 3.34Å; E69-C73 VanDerWaalsContact O-SG 3.33Å; L70-C73 PolarHBondContact O-N 2.95Å; C73-L77 VanDerWaalsContact O-CB 3.28Å; C73-L77 WeakPolarHBondContact O-CB 3.35Å; C73-L77 PolarHBondContact O-N 2.87Å |
| 74 | I | 94.8 | Very high | 89.1 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 176.1 | -70.3 | 168.5 | 0 | 0 | 0 | 110.2 | L70 P71 D72 E76 L77 E78 | L70-I74 HydrophobicContact CD1-CD1 3.99Å; L70-I74 HydrophobicContact CD1-CG1 4.18Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 HydrophobicContact CG-CG1 4.43Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.99Å; P71-I74 PolarHBondContact O-N 2.91Å; D72-I74 PolarHBondContact O-N 3.43Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.45Å; I74-L77 PolarHBondContact O-N 2.9Å; I74-E78 WeakPolarHBondContact O-CG 3.25Å; I74-E78 PolarHBondContact O-N 3.38Å |
| 75 | S | 95.9 | Very high | 90.5 | Very high | 77 Ų | 77 | 104 Ų | 104 | 54% | 0.538 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | P71 D72 E78 R79 | P71-S75 WeakPolarHBondContact O-CB 3.37Å; P71-S75 PolarHBondContact O-N 3.34Å; D72-S75 PolarHBondContact O-N 3.49Å; S75-E78 PolarHBondContact O-N 2.93Å; S75-R79 WeakPolarHBondContact O-CB 3.35Å; S75-R79 PolarHBondContact O-N 3.49Å |
| 76 | E | 96.5 | Very high | 92.1 | Very high | 89 Ų | 89 | 103.6 Ų | 103.6 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 178.2 | -176.2 | 56.8 | -162.6 | 0 | 0 | 111.7 | D72 I74 R79 V80 | D72-E76 WeakPolarHBondContact O-CB 3.3Å; D72-E76 PolarHBondContact O-N 3.43Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.45Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 2.96Å; E76-R79 IonicContact OE1-CZ 3.34Å; E76-R79 IonicContact OE1-NE 2.81Å; E76-R79 PolarHBondContact OE1-NE 3.49Å; E76-R79 IonicContact OE1-NH2 2.66Å; E76-R79 PolarHBondContact OE1-NH2 2.99Å; E76-R79 IonicContact OE2-CZ 3.72Å; E76-R79 IonicContact OE2-NE 3.12Å; E76-R79 PolarHBondContact OE2-NE 3.04Å; E76-R79 IonicContact OE2-NH2 3.78Å; E76-V80 WeakPolarHBondContact O-CB 3.43Å; E76-V80 WeakPolarHBondContact O-CG2 3.5Å; E76-V80 PolarHBondContact O-N 3.16Å |
| 77 | L | 96.5 | Very high | 93.6 | Very high | 118 Ų | 118 | 104.5 Ų | 104.5 | 62% | 0.618 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 174.1 | -179.9 | 64 | 0 | 0 | 0 | 111.7 | C73 I74 R79 V80 K81 | C73-L77 VanDerWaalsContact O-CB 3.28Å; C73-L77 WeakPolarHBondContact O-CB 3.35Å; C73-L77 PolarHBondContact O-N 2.87Å; I74-L77 PolarHBondContact O-N 2.9Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.14Å; L77-V80 PolarHBondContact O-N 2.88Å; L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.45Å |
| 78 | E | 97.6 | Very high | 94.7 | Very high | 129 Ų | 129 | 100.5 Ų | 100.5 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 176.6 | -72.4 | -154.4 | 157.7 | 0 | 0 | 112 | I74 S75 K81 T82 | I74-E78 WeakPolarHBondContact O-CG 3.25Å; I74-E78 PolarHBondContact O-N 3.38Å; S75-E78 PolarHBondContact O-N 2.93Å; E78-K81 PolarHBondContact O-N 2.92Å; E78-T82 WeakPolarHBondContact O-CB 3.22Å; E78-T82 PolarHBondContact O-N 2.73Å; E78-T82 PolarHBondContact O-OG1 2.89Å |
| 79 | R | 97.6 | Very high | 95.6 | Very high | 128 Ų | 128 | 93.8 Ų | 93.8 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 174.5 | -168.7 | -164.9 | 72 | 75.7 | 1.4 | 110.8 | S75 E76 L77 K81 T82 V83 | S75-R79 WeakPolarHBondContact O-CB 3.35Å; S75-R79 PolarHBondContact O-N 3.49Å; E76-R79 WeakPolarHBondContact O-CB 3.36Å; E76-R79 PolarHBondContact O-N 2.96Å; E76-R79 IonicContact OE1-CZ 3.34Å; E76-R79 IonicContact OE1-NE 2.81Å; E76-R79 PolarHBondContact OE1-NE 3.49Å; E76-R79 IonicContact OE1-NH2 2.66Å; E76-R79 PolarHBondContact OE1-NH2 2.99Å; E76-R79 IonicContact OE2-CZ 3.72Å; E76-R79 IonicContact OE2-NE 3.12Å; E76-R79 PolarHBondContact OE2-NE 3.04Å; E76-R79 IonicContact OE2-NH2 3.78Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.14Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 2.75Å; R79-T82 PolarHBondContact O-N 3.38Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.42Å |
| 80 | V | 97.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 91.8 Ų | 91.8 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | E76 L77 T82 V83 H84 | E76-V80 WeakPolarHBondContact O-CB 3.43Å; E76-V80 WeakPolarHBondContact O-CG2 3.5Å; E76-V80 PolarHBondContact O-N 3.16Å; L77-V80 PolarHBondContact O-N 2.88Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 2.94Å; V80-V83 PolarHBondContact O-N 3.35Å; V80-H84 WeakPolarHBondContact O-CB 3.34Å; V80-H84 PolarHBondContact O-N 3.43Å |
| 81 | K | 97.9 | Very high | 96.6 | Very high | 151 Ų | 151 | 91.7 Ų | 91.7 | 66% | 0.657 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.7 | -45.1 | 176.1 | -177.2 | -179.4 | 178.1 | -177.4 | 0 | 111.6 | L77 E78 R79 H84 F85 | L77-K81 WeakPolarHBondContact O-CB 3.4Å; L77-K81 PolarHBondContact O-N 3.45Å; E78-K81 PolarHBondContact O-N 2.92Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 2.75Å; K81-H84 PolarHBondContact O-N 3.41Å; K81-F85 WeakPolarHBondContact O-CB 3.33Å; K81-F85 PolarHBondContact O-N 2.93Å |
| 82 | T | 97.8 | Very high | 96.9 | Very high | 78 Ų | 78 | 93.8 Ų | 93.8 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | E78 R79 V80 F85 N86 | E78-T82 WeakPolarHBondContact O-CB 3.22Å; E78-T82 PolarHBondContact O-N 2.73Å; E78-T82 PolarHBondContact O-OG1 2.89Å; R79-T82 PolarHBondContact O-N 3.38Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 2.94Å; T82-F85 PolarHBondContact O-N 3.36Å; T82-N86 WeakPolarHBondContact O-CB 3.36Å; T82-N86 PolarHBondContact O-N 2.93Å; T82-N86 PolarHBondContact O-ND2 2.93Å |
| 83 | V | 98.1 | Very high | 97 | Very high | 70 Ų | 70 | 95 Ų | 95 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.1 | 170.6 | 0 | 0 | 0 | 0 | 111 | R79 V80 N86 S87 | R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.42Å; V80-V83 PolarHBondContact O-N 3.35Å; V83-N86 PolarHBondContact O-N 2.83Å; V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.35Å; V83-S87 PolarHBondContact O-N 2.92Å; V83-S87 PolarHBondContact O-OG 3.31Å |
| 84 | H | 97.8 | Very high | 97.2 | Very high | 128 Ų | 128 | 96.8 Ų | 96.8 | 59% | 0.593 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 178.8 | 175.8 | -91 | 0 | 0 | 0 | 111.6 | V80 K81 S87 S88 | V80-H84 WeakPolarHBondContact O-CB 3.34Å; V80-H84 PolarHBondContact O-N 3.43Å; K81-H84 PolarHBondContact O-N 3.41Å; H84-S87 PolarHBondContact O-N 3.44Å; H84-S88 WeakPolarHBondContact O-CB 3.49Å; H84-S88 PolarHBondContact O-N 3.12Å; H84-S88 PolarHBondContact O-OG 3.44Å |
| 85 | F | 98.2 | Very high | 97.4 | Very high | 131 Ų | 131 | 97.6 Ų | 97.6 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.1 | -48.7 | 177.3 | -179.8 | -97 | 0 | 0 | 0 | 111.8 | K81 T82 S87 S88 L89 | K81-F85 WeakPolarHBondContact O-CB 3.33Å; K81-F85 PolarHBondContact O-N 2.93Å; T82-F85 PolarHBondContact O-N 3.36Å; F85-S87 VanDerWaalsContact C-N 3.33Å; F85-S87 PolarHBondContact O-N 3.23Å; F85-S88 PolarHBondContact O-N 3.42Å; F85-L89 HydrophobicContact CE1-CD2 4.29Å; F85-L89 WeakPolarHBondContact O-CB 3.5Å; F85-L89 PolarHBondContact O-N 2.96Å |
| 86 | N | 97.6 | Very high | 97.3 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 178.6 | -72.8 | -18.2 | 0 | 0 | 0 | 112 | T82 V83 L89 A90 | T82-N86 WeakPolarHBondContact O-CB 3.36Å; T82-N86 PolarHBondContact O-N 2.93Å; T82-N86 PolarHBondContact O-ND2 2.93Å; V83-N86 PolarHBondContact O-N 2.83Å; N86-L89 PolarHBondContact O-N 3.43Å; N86-A90 WeakPolarHBondContact O-CB 3.49Å; N86-A90 PolarHBondContact O-N 2.91Å |
| 87 | S | 97.8 | Very high | 97.2 | Very high | 70 Ų | 70 | 100.1 Ų | 100.1 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 178.1 | -58 | 0 | 0 | 0 | 0 | 111.4 | V83 H84 F85 A90 L91 | V83-S87 VanDerWaalsContact O-CB 3.3Å; V83-S87 WeakPolarHBondContact O-CB 3.35Å; V83-S87 PolarHBondContact O-N 2.92Å; V83-S87 PolarHBondContact O-OG 3.31Å; H84-S87 PolarHBondContact O-N 3.44Å; F85-S87 VanDerWaalsContact C-N 3.33Å; F85-S87 PolarHBondContact O-N 3.23Å; S87-A90 PolarHBondContact O-N 2.94Å; S87-L91 PolarHBondContact O-N 3.43Å |
| 88 | S | 98 | Very high | 97 | Very high | 40 Ų | 40 | 99.5 Ų | 99.5 | 28% | 0.28 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | H84 F85 A90 L91 H92 | H84-S88 WeakPolarHBondContact O-CB 3.49Å; H84-S88 PolarHBondContact O-N 3.12Å; H84-S88 PolarHBondContact O-OG 3.44Å; F85-S88 PolarHBondContact O-N 3.42Å; S88-A90 PolarHBondContact O-N 3.47Å; S88-L91 PolarHBondContact O-N 3.27Å; S88-H92 PolarHBondContact O-N 2.93Å |
| 89 | L | 97.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 96.1 Ų | 96.1 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.8 | -179.1 | 61.5 | 0 | 0 | 0 | 111.9 | F85 N86 R93 | F85-L89 HydrophobicContact CE1-CD2 4.29Å; F85-L89 WeakPolarHBondContact O-CB 3.5Å; F85-L89 PolarHBondContact O-N 2.96Å; N86-L89 PolarHBondContact O-N 3.43Å; L89-R93 WeakPolarHBondContact O-CB 3.26Å; L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.43Å; L89-R93 PolarHBondContact O-N 3.45Å |
| 90 | A | 97.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 91.9 Ų | 91.9 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N86 S87 S88 R93 I94 | N86-A90 WeakPolarHBondContact O-CB 3.49Å; N86-A90 PolarHBondContact O-N 2.91Å; S87-A90 PolarHBondContact O-N 2.94Å; S88-A90 PolarHBondContact O-N 3.47Å; A90-R93 PolarHBondContact O-N 2.66Å; A90-I94 VanDerWaalsContact O-CG1 3.3Å; A90-I94 WeakPolarHBondContact O-CG1 3.5Å; A90-I94 PolarHBondContact O-N 3.43Å |
| 91 | L | 97.8 | Very high | 96 | Very high | 92 Ų | 92 | 89.5 Ų | 89.5 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 177.1 | -179.8 | 62.1 | 0 | 0 | 0 | 111.7 | S87 S88 R93 I94 Q95 | S87-L91 PolarHBondContact O-N 3.43Å; S88-L91 PolarHBondContact O-N 3.27Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.85Å; L91-I94 PolarHBondContact O-N 3.24Å; L91-Q95 HydrophobicContact CD1-CG 4.31Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 2.79Å |
| 92 | H | 98 | Very high | 95.6 | Very high | 122 Ų | 122 | 86.3 Ų | 86.3 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.6 | -41.1 | 177.6 | -73.8 | 165.1 | 0 | 0 | 0 | 112.4 | S88 I94 Q95 M96 | S88-H92 PolarHBondContact O-N 2.93Å; H92-I94 PolarHBondContact O-N 2.74Å; H92-Q95 PolarHBondContact O-N 2.91Å; H92-M96 VanDerWaalsContact O-CB 3.28Å; H92-M96 WeakPolarHBondContact O-CB 3.44Å; H92-M96 PolarHBondContact O-N 3.47Å |
| 93 | R | 95.8 | Very high | 95.1 | Very high | 144 Ų | 144 | 88 Ų | 88 | 54% | 0.543 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 176.2 | -75.8 | 172.3 | 174.4 | 177.2 | -1 | 112.1 | L89 A90 L91 W97 | L89-R93 WeakPolarHBondContact O-CB 3.26Å; L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.43Å; L89-R93 PolarHBondContact O-N 3.45Å; A90-R93 PolarHBondContact O-N 2.66Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.85Å; R93-W97 WeakPolarHBondContact O-CB 3.32Å; R93-W97 PolarHBondContact O-N 3.48Å |
| 94 | I | 96.1 | Very high | 94.4 | Very high | 115 Ų | 115 | 86.1 Ų | 86.1 | 59% | 0.59 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.5 | -48.1 | 176.5 | -69.2 | 164.3 | 0 | 0 | 0 | 110.2 | A90 L91 H92 M96 W97 N98 | A90-I94 VanDerWaalsContact O-CG1 3.3Å; A90-I94 WeakPolarHBondContact O-CG1 3.5Å; A90-I94 PolarHBondContact O-N 3.43Å; L91-I94 PolarHBondContact O-N 3.24Å; H92-I94 PolarHBondContact O-N 2.74Å; I94-M96 PolarHBondContact O-N 2.93Å; I94-W97 PolarHBondContact O-N 3.12Å; I94-N98 WeakPolarHBondContact O-CB 3.4Å; I94-N98 PolarHBondContact O-N 3.05Å |
| 95 | Q | 97.6 | Very high | 93.9 | Very high | 102 Ų | 102 | 86.9 Ų | 86.9 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 179.1 | -71.7 | 172.7 | -22.7 | 0 | 0 | 111.9 | L91 H92 N98 A99 | L91-Q95 HydrophobicContact CD1-CG 4.31Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 2.79Å; H92-Q95 PolarHBondContact O-N 2.91Å; Q95-N98 WeakPolarHBondContact O-CB 3.46Å; Q95-N98 PolarHBondContact O-N 3.29Å; Q95-A99 PolarHBondContact O-N 3.41Å |
| 96 | M | 94.9 | Very high | 93.2 | Very high | 110 Ų | 110 | 85.1 Ų | 85.1 | 54% | 0.542 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.7 | -176.7 | 173.9 | 65.5 | 0 | 0 | 111.6 | H92 I94 N98 A99 I100 | H92-M96 VanDerWaalsContact O-CB 3.28Å; H92-M96 WeakPolarHBondContact O-CB 3.44Å; H92-M96 PolarHBondContact O-N 3.47Å; I94-M96 PolarHBondContact O-N 2.93Å; M96-N98 VanDerWaalsContact C-N 3.31Å; M96-N98 PolarHBondContact O-N 2.89Å; M96-A99 PolarHBondContact O-N 2.8Å; M96-I100 HydrophobicContact CG-CD1 3.99Å; M96-I100 VanDerWaalsContact O-CG1 3.32Å; M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 3.13Å |
| 97 | W | 93.4 | Very high | 92 | Very high | 110 Ų | 110 | 88.2 Ų | 88.2 | 42% | 0.417 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 176.5 | -89.6 | 128.9 | 0 | 0 | 0 | 112.9 | R93 I94 I100 G101 C121 | R93-W97 WeakPolarHBondContact O-CB 3.32Å; R93-W97 PolarHBondContact O-N 3.48Å; I94-W97 PolarHBondContact O-N 3.12Å; W97-I100 HydrophobicContact CD2-CD1 4.44Å; W97-I100 HydrophobicContact CE3-CB 4Å; W97-I100 HydrophobicContact CE3-CD1 3.81Å; W97-I100 HydrophobicContact CE3-CG2 3.84Å; W97-I100 HydrophobicContact CZ3-CB 4.31Å; W97-I100 HydrophobicContact CZ3-CD1 3.92Å; W97-I100 HydrophobicContact CZ3-CG2 3.7Å; W97-I100 PolarHBondContact O-N 3.02Å; W97-G101 PolarHBondContact O-N 3.45Å; W97-C121 HydrophobicContact CH2-CB 4.19Å; W97-C121 HydrophobicContact CZ2-CB 4.17Å |
| 98 | N | 93.5 | Very high | 91 | Very high | 104 Ų | 104 | 88.1 Ų | 88.1 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.3 | -46.5 | 174.3 | -170.7 | 51.3 | 0 | 0 | 0 | 111.3 | I94 Q95 M96 I100 G101 E102 | I94-N98 WeakPolarHBondContact O-CB 3.4Å; I94-N98 PolarHBondContact O-N 3.05Å; Q95-N98 WeakPolarHBondContact O-CB 3.46Å; Q95-N98 PolarHBondContact O-N 3.29Å; M96-N98 VanDerWaalsContact C-N 3.31Å; M96-N98 PolarHBondContact O-N 2.89Å; N98-I100 PolarHBondContact O-N 3.34Å; N98-G101 WeakPolarHBondContact O-CA 3.22Å; N98-G101 PolarHBondContact O-N 2.93Å; N98-G101 VanDerWaalsContact O-N 3.11Å; N98-E102 PolarHBondContact O-N 2.98Å |
| 99 | A | 92.1 | Very high | 89.9 | Confident | 58 Ų | 58 | 91.4 Ų | 91.4 | 48% | 0.479 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q95 M96 G101 E102 K103 | Q95-A99 PolarHBondContact O-N 3.41Å; M96-A99 PolarHBondContact O-N 2.8Å; A99-G101 VanDerWaalsContact C-N 3.32Å; A99-E102 PolarHBondContact O-N 3.48Å; A99-K103 PolarHBondContact O-N 3.22Å; A99-K103 VanDerWaalsContact O-N 3.07Å |
| 100 | I | 89.4 | Confident | 89.2 | Confident | 39 Ų | 39 | 94 Ų | 94 | 20% | 0.2 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61 | -43 | 172.6 | -69.8 | 164.9 | 0 | 0 | 0 | 110.5 | M96 W97 N98 E102 K103 M104 L114 | M96-I100 HydrophobicContact CG-CD1 3.99Å; M96-I100 VanDerWaalsContact O-CG1 3.32Å; M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 3.13Å; W97-I100 HydrophobicContact CD2-CD1 4.44Å; W97-I100 HydrophobicContact CE3-CB 4Å; W97-I100 HydrophobicContact CE3-CD1 3.81Å; W97-I100 HydrophobicContact CE3-CG2 3.84Å; W97-I100 HydrophobicContact CZ3-CB 4.31Å; W97-I100 HydrophobicContact CZ3-CD1 3.92Å; W97-I100 HydrophobicContact CZ3-CG2 3.7Å; W97-I100 PolarHBondContact O-N 3.02Å; N98-I100 PolarHBondContact O-N 3.34Å; I100-E102 PolarHBondContact O-N 2.81Å; I100-K103 PolarHBondContact O-N 2.91Å; I100-M104 HydrophobicContact CG2-CE 3.84Å; I100-M104 HydrophobicContact CG2-SD 4.33Å; I100-M104 WeakPolarHBondContact O-CG 3.38Å; I100-M104 PolarHBondContact O-N 3.33Å; I100-L114 HydrophobicContact CG2-CD1 3.97Å; I100-L114 HydrophobicContact CG2-CD2 4.08Å; I100-L114 HydrophobicContact CG2-CG 4.07Å |
| 101 | G | 89.3 | Confident | 88.6 | Confident | 21 Ų | 21 | 92 Ų | 92 | 22% | 0.216 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -55.1 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | W97 N98 A99 M104 | W97-G101 PolarHBondContact O-N 3.45Å; N98-G101 WeakPolarHBondContact O-CA 3.22Å; N98-G101 PolarHBondContact O-N 2.93Å; N98-G101 VanDerWaalsContact O-N 3.11Å; A99-G101 VanDerWaalsContact C-N 3.32Å; G101-M104 PolarHBondContact O-N 3.4Å |
| 102 | E | 89.8 | Confident | 88 | Confident | 85 Ų | 85 | 92.4 Ų | 92.4 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 177.1 | -64.3 | -49.9 | 135.4 | 0 | 0 | 112.5 | N98 A99 I100 K105 | N98-E102 PolarHBondContact O-N 2.98Å; A99-E102 PolarHBondContact O-N 3.48Å; I100-E102 PolarHBondContact O-N 2.81Å; E102-K105 PolarHBondContact O-N 2.87Å; E102-K105 IonicContact OE1-NZ 2.65Å; E102-K105 PolarHBondContact OE1-NZ 3.33Å; E102-K105 WeakPolarHBondContact OE2-CD 3.35Å; E102-K105 IonicContact OE2-NZ 2.88Å; E102-K105 PolarHBondContact OE2-NZ 2.88Å |
| 103 | K | 86.4 | Confident | 87.5 | Confident | 113 Ų | 113 | 92 Ų | 92 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 175.2 | -79.7 | -73.3 | 178.9 | -178.2 | 0 | 112.7 | A99 I100 K105 Q106 L114 | A99-K103 PolarHBondContact O-N 3.22Å; A99-K103 VanDerWaalsContact O-N 3.07Å; I100-K103 PolarHBondContact O-N 2.91Å; K103-K105 PolarHBondContact O-N 3.48Å; K103-Q106 WeakPolarHBondContact O-CB 3.28Å; K103-Q106 PolarHBondContact O-N 3.23Å; K103-Q106 VanDerWaalsContact O-N 3.13Å; K103-L114 HydrophobicContact CB-CD2 4.23Å |
| 104 | M | 85.1 | Confident | 87.2 | Confident | 30 Ų | 30 | 87.8 Ų | 87.8 | 15% | 0.148 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.7 | -17.3 | 177.3 | -71.9 | -174.8 | -66.5 | 0 | 0 | 114.5 | I100 G101 L114 K115 | I100-M104 HydrophobicContact CG2-CE 3.84Å; I100-M104 HydrophobicContact CG2-SD 4.33Å; I100-M104 WeakPolarHBondContact O-CG 3.38Å; I100-M104 PolarHBondContact O-N 3.33Å; G101-M104 PolarHBondContact O-N 3.4Å; M104-L114 HydrophobicContact CG-CB 4.15Å; M104-L114 HydrophobicContact CG-CD2 3.6Å; M104-L114 HydrophobicContact CG-CG 3.65Å; M104-L114 HydrophobicContact SD-CG 4.09Å; M104-K115 HydrophobicContact CB-CG 4.29Å; M104-K115 HydrophobicContact CG-CG 4.14Å; M104-K115 WeakPolarHBondContact O-CE 3.32Å; M104-K115 PolarHBondContact O-NZ 3.47Å; M104-K115 HydrophobicContact SD-CB 4.49Å; M104-K115 HydrophobicContact SD-CG 3.83Å |
| 105 | K | 86.5 | Confident | 86.9 | Confident | 144 Ų | 144 | 87.8 Ų | 87.8 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -79.5 | -21.3 | 174.6 | -63.6 | 176 | -166.6 | 167 | 0 | 112.5 | E102 K103 | E102-K105 PolarHBondContact O-N 2.87Å; E102-K105 IonicContact OE1-NZ 2.65Å; E102-K105 PolarHBondContact OE1-NZ 3.33Å; E102-K105 WeakPolarHBondContact OE2-CD 3.35Å; E102-K105 IonicContact OE2-NZ 2.88Å; E102-K105 PolarHBondContact OE2-NZ 2.88Å; K103-K105 PolarHBondContact O-N 3.48Å |
| 106 | Q | 83.4 | Confident | 86.5 | Confident | 95 Ų | 95 | 85.4 Ų | 85.4 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -74.7 | 143.5 | 177.3 | -60.5 | 171.6 | 17.1 | 0 | 0 | 109.1 | K103 D108 A111 | K103-Q106 WeakPolarHBondContact O-CB 3.28Å; K103-Q106 PolarHBondContact O-N 3.23Å; K103-Q106 VanDerWaalsContact O-N 3.13Å; Q106-D108 PolarHBondContact O-N 3.44Å; Q106-A111 WeakPolarHBondContact O-CB 3.35Å |
| 107 | T | 71.3 | Confident | 86.4 | Confident | 153 Ų | 153 | 83.1 Ų | 83.1 | 94% | 0.939 | 45% | 0.45 | S | S | * | . | trans | -84.4 | 51.6 | -179.4 | -34.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 108 | D | 77.2 | Confident | 86.3 | Confident | 68 Ų | 68 | 78.8 Ų | 78.8 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | trans | -86.8 | 139.3 | 178.6 | -167 | -23.4 | 0 | 0 | 0 | 109.3 | Q106 D110 A111 | Q106-D108 PolarHBondContact O-N 3.44Å; D108-D110 PolarHBondContact O-N 3.47Å; D108-D110 VanDerWaalsContact O-N 3.15Å; D108-D110 PolarHBondContact OD1-N 3.2Å; D108-A111 HydrophobicContact CB-CB 4.33Å; D108-A111 WeakPolarHBondContact O-CB 3.28Å; D108-A111 PolarHBondContact O-N 2.94Å | ||
| 109 | P | 75.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 71% | 0.708 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | -37.8 | 167.9 | 13.7 | -29.8 | 0 | 0 | 0 | 113.7 | A111 | P109-A111 VanDerWaalsContact C-N 3.25Å; P109-A111 PolarHBondContact O-N 3.36Å |
| 110 | D | 82.3 | Confident | 86.5 | Confident | 113 Ų | 113 | 81.6 Ų | 81.6 | 60% | 0.604 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -71.4 | -16.7 | 179.7 | -69.5 | -6.3 | 0 | 0 | 0 | 113.5 | D108 T112 D113 L114 | D108-D110 PolarHBondContact O-N 3.47Å; D108-D110 VanDerWaalsContact O-N 3.15Å; D108-D110 PolarHBondContact OD1-N 3.2Å; D110-T112 VanDerWaalsContact C-N 3.26Å; D110-T112 PolarHBondContact O-N 2.92Å; D110-D113 PolarHBondContact O-N 3.18Å; D110-L114 WeakPolarHBondContact O-CB 3.39Å; D110-L114 PolarHBondContact O-N 3.08Å; D110-L114 VanDerWaalsContact O-N 3.14Å |
| 111 | A | 84.6 | Confident | 86.7 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 5% | 0.05 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.9 | -25.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q106 D108 P109 K115 | Q106-A111 WeakPolarHBondContact O-CB 3.35Å; D108-A111 HydrophobicContact CB-CB 4.33Å; D108-A111 WeakPolarHBondContact O-CB 3.28Å; D108-A111 PolarHBondContact O-N 2.94Å; P109-A111 VanDerWaalsContact C-N 3.25Å; P109-A111 PolarHBondContact O-N 3.36Å; A111-K115 VanDerWaalsContact O-CG 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.44Å; A111-K115 PolarHBondContact O-N 3.04Å; A111-K115 VanDerWaalsContact O-N 3.14Å |
| 112 | T | 85.6 | Confident | 86.9 | Confident | 99 Ų | 99 | 86.9 Ų | 86.9 | 61% | 0.607 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.1 | -47.4 | 179.1 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | D110 L114 K115 A116 | D110-T112 VanDerWaalsContact C-N 3.26Å; D110-T112 PolarHBondContact O-N 2.92Å; T112-L114 VanDerWaalsContact C-N 3.33Å; T112-L114 PolarHBondContact O-N 3.01Å; T112-K115 PolarHBondContact O-N 3.32Å; T112-A116 PolarHBondContact O-N 2.91Å; T112-A116 VanDerWaalsContact O-N 3.12Å |
| 113 | D | 87.8 | Confident | 87.3 | Confident | 114 Ų | 114 | 85 Ų | 85 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.5 | -39 | 177.8 | -71.3 | -20.9 | 0 | 0 | 0 | 111.2 | D110 K115 A116 V117 | D110-D113 PolarHBondContact O-N 3.18Å; D113-K115 VanDerWaalsContact C-N 3.34Å; D113-K115 PolarHBondContact O-N 2.88Å; D113-A116 PolarHBondContact O-N 3.43Å; D113-V117 WeakPolarHBondContact O-CG2 3.48Å; D113-V117 PolarHBondContact O-N 2.91Å |
| 114 | L | 89.6 | Confident | 87.8 | Confident | 56 Ų | 56 | 84.4 Ų | 84.4 | 29% | 0.293 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 176 | -170.9 | 58.2 | 0 | 0 | 0 | 112.3 | I100 K103 M104 D110 T112 V117 S118 | I100-L114 HydrophobicContact CG2-CD1 3.97Å; I100-L114 HydrophobicContact CG2-CD2 4.08Å; I100-L114 HydrophobicContact CG2-CG 4.07Å; K103-L114 HydrophobicContact CB-CD2 4.23Å; M104-L114 HydrophobicContact CG-CB 4.15Å; M104-L114 HydrophobicContact CG-CD2 3.6Å; M104-L114 HydrophobicContact CG-CG 3.65Å; M104-L114 HydrophobicContact SD-CG 4.09Å; D110-L114 WeakPolarHBondContact O-CB 3.39Å; D110-L114 PolarHBondContact O-N 3.08Å; D110-L114 VanDerWaalsContact O-N 3.14Å; T112-L114 VanDerWaalsContact C-N 3.33Å; T112-L114 PolarHBondContact O-N 3.01Å; L114-V117 PolarHBondContact O-N 3.37Å; L114-S118 WeakPolarHBondContact O-CB 3.4Å; L114-S118 PolarHBondContact O-N 2.72Å |
| 115 | K | 89.3 | Confident | 88.3 | Confident | 114 Ų | 114 | 86.9 Ų | 86.9 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173 | -77.5 | 169.8 | -175.4 | 168.9 | 0 | 111.9 | M104 A111 T112 D113 S118 A119 | M104-K115 HydrophobicContact CB-CG 4.29Å; M104-K115 HydrophobicContact CG-CG 4.14Å; M104-K115 WeakPolarHBondContact O-CE 3.32Å; M104-K115 PolarHBondContact O-NZ 3.47Å; M104-K115 HydrophobicContact SD-CB 4.49Å; M104-K115 HydrophobicContact SD-CG 3.83Å; A111-K115 VanDerWaalsContact O-CG 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.44Å; A111-K115 PolarHBondContact O-N 3.04Å; A111-K115 VanDerWaalsContact O-N 3.14Å; T112-K115 PolarHBondContact O-N 3.32Å; D113-K115 VanDerWaalsContact C-N 3.34Å; D113-K115 PolarHBondContact O-N 2.88Å; K115-S118 PolarHBondContact O-N 3.34Å; K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.39Å |
| 116 | A | 90.8 | Very high | 88.8 | Confident | 53 Ų | 53 | 83.7 Ų | 83.7 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T112 D113 R120 | T112-A116 PolarHBondContact O-N 2.91Å; T112-A116 VanDerWaalsContact O-N 3.12Å; D113-A116 PolarHBondContact O-N 3.43Å; A116-R120 WeakPolarHBondContact O-CG 3.47Å; A116-R120 PolarHBondContact O-N 3.04Å; A116-R120 PolarHBondContact O-NE 2.88Å |
| 117 | V | 92.3 | Very high | 89.6 | Confident | 61 Ų | 61 | 84.5 Ų | 84.5 | 37% | 0.37 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -48 | 172.6 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | D113 L114 A119 R120 C121 | D113-V117 WeakPolarHBondContact O-CG2 3.48Å; D113-V117 PolarHBondContact O-N 2.91Å; L114-V117 PolarHBondContact O-N 3.37Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 3.3Å; V117-R120 PolarHBondContact O-N 2.86Å; V117-R120 VanDerWaalsContact O-N 3.17Å; V117-C121 PolarHBondContact O-N 3.43Å; V117-C121 PolarHBondContact O-SG 2.9Å; V117-C121 VanDerWaalsContact O-SG 3.35Å |
| 118 | S | 91.6 | Very high | 90.8 | Very high | 20 Ų | 20 | 81.4 Ų | 81.4 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 179.5 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | L114 K115 R120 C121 M122 | L114-S118 WeakPolarHBondContact O-CB 3.4Å; L114-S118 PolarHBondContact O-N 2.72Å; K115-S118 PolarHBondContact O-N 3.34Å; S118-R120 PolarHBondContact O-N 2.99Å; S118-C121 WeakPolarHBondContact O-CB 3.28Å; S118-C121 PolarHBondContact O-N 3.21Å; S118-M122 WeakPolarHBondContact O-CG 3.39Å; S118-M122 PolarHBondContact O-N 2.74Å |
| 119 | A | 92.8 | Very high | 91.8 | Very high | 61 Ų | 61 | 84.8 Ų | 84.8 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K115 V117 M122 A123 | K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.39Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-A119 PolarHBondContact O-N 3.3Å; A119-M122 PolarHBondContact O-N 2.96Å; A119-A123 PolarHBondContact O-N 3.47Å |
| 120 | R | 95.9 | Very high | 92.9 | Very high | 159 Ų | 159 | 85 Ų | 85 | 60% | 0.6 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 174.9 | -73.4 | -175.6 | -69 | 164.3 | -4.4 | 112 | A116 V117 S118 M122 A123 L124 | A116-R120 WeakPolarHBondContact O-CG 3.47Å; A116-R120 PolarHBondContact O-N 3.04Å; A116-R120 PolarHBondContact O-NE 2.88Å; V117-R120 PolarHBondContact O-N 2.86Å; V117-R120 VanDerWaalsContact O-N 3.17Å; S118-R120 PolarHBondContact O-N 2.99Å; R120-M122 VanDerWaalsContact C-N 3.34Å; R120-M122 PolarHBondContact O-N 3.18Å; R120-A123 PolarHBondContact O-N 3.42Å; R120-L124 WeakPolarHBondContact O-CG 3.39Å; R120-L124 PolarHBondContact O-N 3.33Å |
| 121 | C | 94.3 | Very high | 93.7 | Very high | 42 Ų | 42 | 84.5 Ų | 84.5 | 28% | 0.284 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 175.4 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | W97 V117 S118 L124 C125 | W97-C121 HydrophobicContact CH2-CB 4.19Å; W97-C121 HydrophobicContact CZ2-CB 4.17Å; V117-C121 PolarHBondContact O-N 3.43Å; V117-C121 PolarHBondContact O-SG 2.9Å; V117-C121 VanDerWaalsContact O-SG 3.35Å; S118-C121 WeakPolarHBondContact O-CB 3.28Å; S118-C121 PolarHBondContact O-N 3.21Å; C121-L124 PolarHBondContact O-N 3.47Å; C121-C125 WeakPolarHBondContact O-CB 3.46Å; C121-C125 PolarHBondContact O-N 3.33Å; C121-C125 PolarHBondContact O-SG 3.14Å |
| 122 | M | 93.5 | Very high | 94.3 | Very high | 129 Ų | 129 | 88.8 Ų | 88.8 | 64% | 0.635 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 176.9 | -71.4 | -121.2 | -67.8 | 0 | 0 | 112.6 | S118 A119 R120 C125 S126 | S118-M122 WeakPolarHBondContact O-CG 3.39Å; S118-M122 PolarHBondContact O-N 2.74Å; A119-M122 PolarHBondContact O-N 2.96Å; R120-M122 VanDerWaalsContact C-N 3.34Å; R120-M122 PolarHBondContact O-N 3.18Å; M122-C125 PolarHBondContact O-N 3Å; M122-S126 WeakPolarHBondContact O-CB 3.35Å; M122-S126 PolarHBondContact O-N 3.32Å; M122-S126 PolarHBondContact O-OG 2.76Å |
| 123 | A | 97.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 88.9 Ų | 88.9 | 39% | 0.388 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A119 R120 S126 Q127 | A119-A123 PolarHBondContact O-N 3.47Å; R120-A123 PolarHBondContact O-N 3.42Å; A123-S126 WeakPolarHBondContact O-CB 3.43Å; A123-S126 PolarHBondContact O-N 3.04Å; A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 3.33Å |
| 124 | L | 97.9 | Very high | 95.4 | Very high | 99 Ų | 99 | 87.5 Ų | 87.5 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.8 | -74.4 | 168.6 | 0 | 0 | 0 | 112.1 | R120 C121 S126 Q127 I128 | R120-L124 WeakPolarHBondContact O-CG 3.39Å; R120-L124 PolarHBondContact O-N 3.33Å; C121-L124 PolarHBondContact O-N 3.47Å; L124-S126 PolarHBondContact O-N 2.69Å; L124-Q127 PolarHBondContact O-N 2.99Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.23Å |
| 125 | C | 95.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 88.8 Ų | 88.8 | 55% | 0.554 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.7 | -36.8 | 176.2 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | C121 M122 K129 | C121-C125 WeakPolarHBondContact O-CB 3.46Å; C121-C125 PolarHBondContact O-N 3.33Å; C121-C125 PolarHBondContact O-SG 3.14Å; M122-C125 PolarHBondContact O-N 3Å; C125-K129 WeakPolarHBondContact O-CB 3.38Å; C125-K129 PolarHBondContact O-N 3.44Å |
| 126 | S | 97.8 | Very high | 96.3 | Very high | 77 Ų | 77 | 90.8 Ų | 90.8 | 54% | 0.538 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 176.4 | -58 | 0 | 0 | 0 | 0 | 111.6 | M122 A123 L124 K129 Q130 | M122-S126 WeakPolarHBondContact O-CB 3.35Å; M122-S126 PolarHBondContact O-N 3.32Å; M122-S126 PolarHBondContact O-OG 2.76Å; A123-S126 WeakPolarHBondContact O-CB 3.43Å; A123-S126 PolarHBondContact O-N 3.04Å; L124-S126 PolarHBondContact O-N 2.69Å; S126-K129 PolarHBondContact O-N 3.43Å; S126-Q130 PolarHBondContact O-N 3.48Å |
| 127 | Q | 98.4 | Very high | 96.7 | Very high | 112 Ų | 112 | 92 Ų | 92 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.4 | -69.1 | 174 | 33.3 | 0 | 0 | 112 | A123 L124 K129 Q130 L131 | A123-Q127 WeakPolarHBondContact O-CG 3.43Å; A123-Q127 PolarHBondContact O-N 3.33Å; L124-Q127 PolarHBondContact O-N 2.99Å; Q127-K129 VanDerWaalsContact C-N 3.32Å; Q127-K129 PolarHBondContact O-N 2.91Å; Q127-Q130 WeakPolarHBondContact O-CB 3.4Å; Q127-Q130 PolarHBondContact O-N 3.05Å; Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 2.93Å |
| 128 | I | 97.9 | Very high | 97 | Very high | 89 Ų | 89 | 93.9 Ų | 93.9 | 46% | 0.456 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 175.6 | -69.6 | 165.5 | 0 | 0 | 0 | 110.3 | L124 Q130 L131 Q132 | L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 3.23Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.45Å; I128-L131 PolarHBondContact O-N 3.43Å; I128-Q132 HydrophobicContact CG2-CG 4.37Å; I128-Q132 WeakPolarHBondContact O-CB 3.47Å; I128-Q132 VanDerWaalsContact O-CG 3.25Å; I128-Q132 WeakPolarHBondContact O-CG 3.47Å; I128-Q132 PolarHBondContact O-N 3.17Å |
| 129 | K | 97.3 | Very high | 97.3 | Very high | 139 Ų | 139 | 98.4 Ų | 98.4 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 177.8 | -176.5 | -178.8 | 177.9 | -175.7 | 0 | 111.7 | C125 S126 Q127 Q132 M133 | C125-K129 WeakPolarHBondContact O-CB 3.38Å; C125-K129 PolarHBondContact O-N 3.44Å; S126-K129 PolarHBondContact O-N 3.43Å; Q127-K129 VanDerWaalsContact C-N 3.32Å; Q127-K129 PolarHBondContact O-N 2.91Å; K129-Q132 PolarHBondContact O-N 2.91Å; K129-M133 PolarHBondContact O-N 3.01Å |
| 130 | Q | 98.4 | Very high | 97.6 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 176.2 | -179.6 | 179 | -12.4 | 0 | 0 | 111.2 | S126 Q127 I128 Q132 M133 E134 | S126-Q130 PolarHBondContact O-N 3.48Å; Q127-Q130 WeakPolarHBondContact O-CB 3.4Å; Q127-Q130 PolarHBondContact O-N 3.05Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.45Å; Q130-Q132 VanDerWaalsContact C-N 3.27Å; Q130-Q132 PolarHBondContact O-N 3.48Å; Q130-M133 WeakPolarHBondContact O-CA 3.5Å; Q130-M133 WeakPolarHBondContact O-CB 3.33Å; Q130-M133 PolarHBondContact O-N 3.43Å; Q130-E134 VanDerWaalsContact CG-OE1 3.3Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.49Å; Q130-E134 PolarHBondContact NE2-OE1 2.94Å; Q130-E134 PolarHBondContact O-N 3.16Å |
| 131 | L | 98.5 | Very high | 97.7 | Very high | 102 Ų | 102 | 98.5 Ų | 98.5 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -38.6 | 177.6 | -72.6 | 170.6 | 0 | 0 | 0 | 112.4 | Q127 I128 M133 E134 T135 | Q127-L131 WeakPolarHBondContact O-CG 3.21Å; Q127-L131 PolarHBondContact O-N 2.93Å; I128-L131 PolarHBondContact O-N 3.43Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.29Å; L131-E134 PolarHBondContact O-N 2.93Å; L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 2.91Å; L131-T135 PolarHBondContact O-OG1 3.38Å |
| 132 | Q | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 100 Ų | 100 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 174.6 | -75.5 | 176.3 | -14.4 | 0 | 0 | 112.5 | I128 K129 Q130 R136 | I128-Q132 HydrophobicContact CG2-CG 4.37Å; I128-Q132 WeakPolarHBondContact O-CB 3.47Å; I128-Q132 VanDerWaalsContact O-CG 3.25Å; I128-Q132 WeakPolarHBondContact O-CG 3.47Å; I128-Q132 PolarHBondContact O-N 3.17Å; K129-Q132 PolarHBondContact O-N 2.91Å; Q130-Q132 VanDerWaalsContact C-N 3.27Å; Q130-Q132 PolarHBondContact O-N 3.48Å; Q132-R136 WeakPolarHBondContact O-CG 3.45Å; Q132-R136 PolarHBondContact O-N 3.46Å; Q132-R136 VanDerWaalsContact O-N 3.16Å |
| 133 | M | 98.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 97.5 Ų | 97.5 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -47.8 | 175.2 | -174.5 | -176 | -61 | 0 | 0 | 110.9 | K129 Q130 L131 T135 R136 N137 | K129-M133 PolarHBondContact O-N 3.01Å; Q130-M133 WeakPolarHBondContact O-CA 3.5Å; Q130-M133 WeakPolarHBondContact O-CB 3.33Å; Q130-M133 PolarHBondContact O-N 3.43Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.29Å; M133-T135 VanDerWaalsContact C-N 3.29Å; M133-T135 PolarHBondContact O-N 2.88Å; M133-R136 PolarHBondContact O-N 3.36Å; M133-R136 VanDerWaalsContact O-N 3.14Å; M133-N137 VanDerWaalsContact O-CG 3.32Å; M133-N137 PolarHBondContact O-N 3.48Å; M133-N137 PolarHBondContact O-OD1 2.8Å |
| 134 | E | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 176.1 | -70.1 | 171.5 | -166.4 | 0 | 0 | 111.4 | Q130 L131 R136 N137 L138 | Q130-E134 VanDerWaalsContact CG-OE1 3.3Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.49Å; Q130-E134 PolarHBondContact NE2-OE1 2.94Å; Q130-E134 PolarHBondContact O-N 3.16Å; L131-E134 PolarHBondContact O-N 2.93Å; E134-R136 PolarHBondContact O-N 3.15Å; E134-N137 PolarHBondContact O-N 3.48Å; E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.49Å |
| 135 | T | 98.5 | Very high | 98.2 | Very high | 83 Ų | 83 | 99.9 Ų | 99.9 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 176.1 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | L131 M133 L138 Q139 | L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 2.91Å; L131-T135 PolarHBondContact O-OG1 3.38Å; M133-T135 VanDerWaalsContact C-N 3.29Å; M133-T135 PolarHBondContact O-N 2.88Å; T135-L138 PolarHBondContact O-N 2.93Å; T135-Q139 WeakPolarHBondContact O-CB 3.39Å; T135-Q139 PolarHBondContact O-N 3.36Å |
| 136 | R | 98.5 | Very high | 98.4 | Very high | 156 Ų | 156 | 101.3 Ų | 101.3 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 177.3 | -74 | 177.6 | -172.4 | 123.7 | 1.3 | 111.5 | Q132 M133 E134 L138 Q139 D140 | Q132-R136 WeakPolarHBondContact O-CG 3.45Å; Q132-R136 PolarHBondContact O-N 3.46Å; Q132-R136 VanDerWaalsContact O-N 3.16Å; M133-R136 PolarHBondContact O-N 3.36Å; M133-R136 VanDerWaalsContact O-N 3.14Å; E134-R136 PolarHBondContact O-N 3.15Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.37Å; R136-Q139 WeakPolarHBondContact O-CB 3.41Å; R136-Q139 PolarHBondContact O-N 3.26Å; R136-Q139 VanDerWaalsContact O-N 3.12Å; R136-D140 PolarHBondContact O-N 3.34Å |
| 137 | N | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 103.5 Ų | 103.5 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 178.2 | -66 | -5.6 | 0 | 0 | 0 | 111.3 | M133 E134 Q139 D140 E141 | M133-N137 VanDerWaalsContact O-CG 3.32Å; M133-N137 PolarHBondContact O-N 3.48Å; M133-N137 PolarHBondContact O-OD1 2.8Å; E134-N137 PolarHBondContact O-N 3.48Å; N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 2.96Å; N137-D140 PolarHBondContact O-N 2.83Å; N137-E141 WeakPolarHBondContact O-CG 3.25Å; N137-E141 PolarHBondContact O-N 2.98Å |
| 138 | L | 98.7 | Very high | 98.4 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 175.6 | -71.9 | 172.2 | 0 | 0 | 0 | 112.2 | E134 T135 R136 D140 E141 I142 | E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.49Å; T135-L138 PolarHBondContact O-N 2.93Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.37Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-E141 PolarHBondContact O-N 3.45Å; L138-I142 WeakPolarHBondContact O-CB 3.48Å; L138-I142 WeakPolarHBondContact O-CD1 3.39Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 2.94Å |
| 139 | Q | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 107.3 Ų | 107.3 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.7 | -164.3 | 82.9 | 37.4 | 0 | 0 | 111.5 | T135 R136 N137 I142 T143 | T135-Q139 WeakPolarHBondContact O-CB 3.39Å; T135-Q139 PolarHBondContact O-N 3.36Å; R136-Q139 WeakPolarHBondContact O-CB 3.41Å; R136-Q139 PolarHBondContact O-N 3.26Å; R136-Q139 VanDerWaalsContact O-N 3.12Å; N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 2.96Å; Q139-I142 PolarHBondContact O-N 2.97Å; Q139-T143 WeakPolarHBondContact O-CB 3.42Å; Q139-T143 PolarHBondContact O-N 2.91Å; Q139-T143 PolarHBondContact O-OG1 2.84Å |
| 140 | D | 98.4 | Very high | 98.5 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -44.9 | 177.3 | -67.2 | -19.9 | 0 | 0 | 0 | 110.8 | R136 N137 L138 I142 T143 E144 | R136-D140 PolarHBondContact O-N 3.34Å; N137-D140 PolarHBondContact O-N 2.83Å; L138-D140 VanDerWaalsContact C-N 3.33Å; D140-I142 PolarHBondContact O-N 3.41Å; D140-T143 WeakPolarHBondContact O-CB 3.36Å; D140-T143 PolarHBondContact O-N 3.46Å; D140-T143 VanDerWaalsContact O-N 3.13Å; D140-E144 PolarHBondContact O-N 3.25Å |
| 141 | E | 98.7 | Very high | 98.5 | Very high | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.5 | -74.4 | 176.4 | -162.3 | 0 | 0 | 112.2 | N137 L138 T143 E144 M145 | N137-E141 WeakPolarHBondContact O-CG 3.25Å; N137-E141 PolarHBondContact O-N 2.98Å; L138-E141 PolarHBondContact O-N 3.45Å; E141-T143 VanDerWaalsContact C-N 3.28Å; E141-T143 PolarHBondContact O-N 3.03Å; E141-E144 PolarHBondContact O-N 2.94Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.45Å; E141-M145 PolarHBondContact O-N 2.89Å |
| 142 | I | 98.5 | Very high | 98.5 | Very high | 74 Ų | 74 | 105 Ų | 105 | 38% | 0.379 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 174.8 | -73 | 166 | 0 | 0 | 0 | 110.6 | L138 Q139 D140 M145 Q146 | L138-I142 WeakPolarHBondContact O-CB 3.48Å; L138-I142 WeakPolarHBondContact O-CD1 3.39Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 2.94Å; Q139-I142 PolarHBondContact O-N 2.97Å; D140-I142 PolarHBondContact O-N 3.41Å; I142-M145 HydrophobicContact CG1-CE 4.17Å; I142-M145 PolarHBondContact O-N 3.44Å; I142-Q146 VanDerWaalsContact O-CG 3.26Å; I142-Q146 WeakPolarHBondContact O-CG 3.42Å; I142-Q146 PolarHBondContact O-N 3.18Å |
| 143 | T | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 111 | Q139 D140 E141 Q146 K147 | Q139-T143 WeakPolarHBondContact O-CB 3.42Å; Q139-T143 PolarHBondContact O-N 2.91Å; Q139-T143 PolarHBondContact O-OG1 2.84Å; D140-T143 WeakPolarHBondContact O-CB 3.36Å; D140-T143 PolarHBondContact O-N 3.46Å; D140-T143 VanDerWaalsContact O-N 3.13Å; E141-T143 VanDerWaalsContact C-N 3.28Å; E141-T143 PolarHBondContact O-N 3.03Å; T143-Q146 PolarHBondContact O-N 3.34Å; T143-K147 PolarHBondContact O-N 3.49Å; T143-K147 VanDerWaalsContact O-N 3.08Å |
| 144 | E | 98.7 | Very high | 98.5 | Very high | 84 Ų | 84 | 107.6 Ų | 107.6 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -42.6 | 177.6 | -165.9 | 58.8 | -153.2 | 0 | 0 | 111.7 | D140 E141 Q146 K147 E148 | D140-E144 PolarHBondContact O-N 3.25Å; E141-E144 PolarHBondContact O-N 2.94Å; E144-Q146 VanDerWaalsContact C-N 3.26Å; E144-Q146 PolarHBondContact O-N 3.09Å; E144-K147 WeakPolarHBondContact O-CA 3.3Å; E144-K147 WeakPolarHBondContact O-CB 3.28Å; E144-K147 PolarHBondContact O-N 3.43Å; E144-K147 IonicContact OE1-NZ 3.91Å; E144-K147 PolarHBondContact OE1-NZ 3.31Å; E144-K147 IonicContact OE2-NZ 2.74Å; E144-K147 PolarHBondContact OE2-NZ 3.44Å; E144-K147 VanDerWaalsContact OE2-NZ 3.12Å; E144-E148 PolarHBondContact O-N 3.2Å |
| 145 | M | 98.5 | Very high | 98.5 | Very high | 111 Ų | 111 | 107.1 Ų | 107.1 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -37.7 | 173.3 | -77.8 | -169.4 | -70 | 0 | 0 | 112.6 | E141 I142 K147 R149 | E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.45Å; E141-M145 PolarHBondContact O-N 2.89Å; I142-M145 HydrophobicContact CG1-CE 4.17Å; I142-M145 PolarHBondContact O-N 3.44Å; M145-K147 VanDerWaalsContact C-N 3.34Å; M145-R149 VanDerWaalsContact O-CB 3.28Å; M145-R149 WeakPolarHBondContact O-CB 3.46Å; M145-R149 PolarHBondContact O-N 3.42Å |
| 146 | Q | 98.4 | Very high | 98.4 | Very high | 112 Ų | 112 | 107.2 Ų | 107.2 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.6 | -75.6 | 175.7 | 1.8 | 0 | 0 | 111.7 | I142 T143 E144 R149 L150 | I142-Q146 VanDerWaalsContact O-CG 3.26Å; I142-Q146 WeakPolarHBondContact O-CG 3.42Å; I142-Q146 PolarHBondContact O-N 3.18Å; T143-Q146 PolarHBondContact O-N 3.34Å; E144-Q146 VanDerWaalsContact C-N 3.26Å; E144-Q146 PolarHBondContact O-N 3.09Å; Q146-R149 PolarHBondContact O-N 2.88Å; Q146-L150 WeakPolarHBondContact O-CG 3.4Å; Q146-L150 PolarHBondContact O-N 2.89Å |
| 147 | K | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 106.2 Ų | 106.2 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 175.8 | 175.6 | 168.3 | 152 | -114.2 | 0 | 111.9 | T143 E144 M145 R149 L150 E151 | T143-K147 PolarHBondContact O-N 3.49Å; T143-K147 VanDerWaalsContact O-N 3.08Å; E144-K147 WeakPolarHBondContact O-CA 3.3Å; E144-K147 WeakPolarHBondContact O-CB 3.28Å; E144-K147 PolarHBondContact O-N 3.43Å; E144-K147 IonicContact OE1-NZ 3.91Å; E144-K147 PolarHBondContact OE1-NZ 3.31Å; E144-K147 IonicContact OE2-NZ 2.74Å; E144-K147 PolarHBondContact OE2-NZ 3.44Å; E144-K147 VanDerWaalsContact OE2-NZ 3.12Å; M145-K147 VanDerWaalsContact C-N 3.34Å; K147-R149 VanDerWaalsContact C-N 3.34Å; K147-R149 PolarHBondContact O-N 3.45Å; K147-L150 PolarHBondContact O-N 2.85Å; K147-E151 PolarHBondContact O-N 3.3Å |
| 148 | E | 98.5 | Very high | 98.3 | Very high | 112 Ų | 112 | 107.3 Ų | 107.3 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 174.2 | -70.3 | -179.1 | 172.8 | 0 | 0 | 111.8 | E144 L150 E151 I152 | E144-E148 PolarHBondContact O-N 3.2Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.81Å; E148-E151 PolarHBondContact O-N 3.38Å; E148-I152 WeakPolarHBondContact O-CG1 3.22Å; E148-I152 PolarHBondContact O-N 2.88Å |
| 149 | R | 98.3 | Very high | 98.2 | Very high | 170 Ų | 170 | 108.2 Ų | 108.2 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.2 | -42.1 | 176.2 | 177.4 | -174 | -75.7 | -169.1 | -3.8 | 111.8 | M145 Q146 K147 K153 | M145-R149 VanDerWaalsContact O-CB 3.28Å; M145-R149 WeakPolarHBondContact O-CB 3.46Å; M145-R149 PolarHBondContact O-N 3.42Å; Q146-R149 PolarHBondContact O-N 2.88Å; K147-R149 VanDerWaalsContact C-N 3.34Å; K147-R149 PolarHBondContact O-N 3.45Å; R149-K153 WeakPolarHBondContact O-CG 3.31Å; R149-K153 PolarHBondContact O-N 2.74Å |
| 150 | L | 98.5 | Very high | 98.1 | Very high | 117 Ų | 117 | 109 Ų | 109 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.4 | -40.6 | 178.3 | -74.6 | 172.6 | 0 | 0 | 0 | 111.6 | Q146 K147 E148 K153 R154 | Q146-L150 WeakPolarHBondContact O-CG 3.4Å; Q146-L150 PolarHBondContact O-N 2.89Å; K147-L150 PolarHBondContact O-N 2.85Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.81Å; L150-K153 WeakPolarHBondContact O-CB 3.12Å; L150-K153 PolarHBondContact O-N 3.37Å; L150-R154 PolarHBondContact O-N 3.46Å |
| 151 | E | 98.5 | Very high | 98 | Very high | 82 Ų | 82 | 109.4 Ų | 109.4 | 38% | 0.383 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.3 | -177.5 | 55.5 | -160.9 | 0 | 0 | 111.9 | K147 E148 K153 R154 L155 | K147-E151 PolarHBondContact O-N 3.3Å; E148-E151 PolarHBondContact O-N 3.38Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.88Å; E151-R154 WeakPolarHBondContact O-CB 3.36Å; E151-R154 PolarHBondContact O-N 3.46Å; E151-R154 VanDerWaalsContact O-N 3.14Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NE 2.99Å; E151-R154 PolarHBondContact OE1-NE 3.39Å; E151-R154 IonicContact OE1-NH2 3.96Å; E151-R154 PolarHBondContact OE1-NH2 3.37Å; E151-R154 IonicContact OE2-CZ 3.22Å; E151-R154 IonicContact OE2-NE 3.79Å; E151-R154 PolarHBondContact OE2-NE 3.39Å; E151-R154 IonicContact OE2-NH2 3.69Å; E151-L155 HydrophobicContact CG-CD1 4.19Å; E151-L155 WeakPolarHBondContact O-CG 3.48Å; E151-L155 PolarHBondContact O-N 3.17Å |
| 152 | I | 98.4 | Very high | 97.8 | Very high | 106 Ų | 106 | 108 Ų | 108 | 54% | 0.544 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.4 | -68.2 | 168.1 | 0 | 0 | 0 | 110.9 | E148 R154 L155 T156 | E148-I152 WeakPolarHBondContact O-CG1 3.22Å; E148-I152 PolarHBondContact O-N 2.88Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.37Å; I152-L155 PolarHBondContact O-N 3.08Å; I152-T156 WeakPolarHBondContact O-CB 3.49Å; I152-T156 PolarHBondContact O-N 2.91Å; I152-T156 PolarHBondContact O-OG1 2.93Å |
| 153 | K | 98.4 | Very high | 97.6 | Very high | 135 Ų | 135 | 108.1 Ų | 108.1 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 175.1 | -80.3 | -177.8 | 175.5 | -171.9 | 0 | 111.8 | R149 L150 E151 T156 H157 | R149-K153 WeakPolarHBondContact O-CG 3.31Å; R149-K153 PolarHBondContact O-N 2.74Å; L150-K153 WeakPolarHBondContact O-CB 3.12Å; L150-K153 PolarHBondContact O-N 3.37Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.88Å; K153-T156 PolarHBondContact O-N 3.16Å; K153-H157 PolarHBondContact O-N 3.38Å |
| 154 | R | 98.3 | Very high | 97.2 | Very high | 118 Ų | 118 | 110.7 Ų | 110.7 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -51.2 | 177.3 | -168.6 | -163.2 | 68.6 | 69.5 | 0.5 | 111 | L150 E151 I152 T156 H157 E158 | L150-R154 PolarHBondContact O-N 3.46Å; E151-R154 WeakPolarHBondContact O-CB 3.36Å; E151-R154 PolarHBondContact O-N 3.46Å; E151-R154 VanDerWaalsContact O-N 3.14Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NE 2.99Å; E151-R154 PolarHBondContact OE1-NE 3.39Å; E151-R154 IonicContact OE1-NH2 3.96Å; E151-R154 PolarHBondContact OE1-NH2 3.37Å; E151-R154 IonicContact OE2-CZ 3.22Å; E151-R154 IonicContact OE2-NE 3.79Å; E151-R154 PolarHBondContact OE2-NE 3.39Å; E151-R154 IonicContact OE2-NH2 3.69Å; I152-R154 VanDerWaalsContact C-N 3.33Å; I152-R154 PolarHBondContact O-N 3.37Å; R154-T156 VanDerWaalsContact C-N 3.33Å; R154-T156 PolarHBondContact O-N 3.09Å; R154-H157 PolarHBondContact O-N 2.86Å; R154-E158 IonicContact CZ-OE2 3.38Å; R154-E158 IonicContact NH1-OE2 3.57Å; R154-E158 PolarHBondContact NH1-OE2 3.44Å; R154-E158 IonicContact NH2-OE2 2.72Å; R154-E158 PolarHBondContact O-N 2.96Å |
| 155 | L | 98.2 | Very high | 96.8 | Very high | 74 Ų | 74 | 111.6 Ų | 111.6 | 39% | 0.387 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 178.4 | -72.6 | 170.2 | 0 | 0 | 0 | 112.3 | E151 I152 H157 E158 K159 | E151-L155 HydrophobicContact CG-CD1 4.19Å; E151-L155 WeakPolarHBondContact O-CG 3.48Å; E151-L155 PolarHBondContact O-N 3.17Å; I152-L155 PolarHBondContact O-N 3.08Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.91Å; L155-E158 PolarHBondContact O-N 3.34Å; L155-K159 WeakPolarHBondContact O-CB 3.1Å; L155-K159 WeakPolarHBondContact O-CG 3.37Å; L155-K159 PolarHBondContact O-N 3.14Å |
| 156 | T | 97 | Very high | 96.3 | Very high | 85 Ų | 85 | 110.8 Ų | 110.8 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.8 | -59 | 0 | 0 | 0 | 0 | 111 | I152 K153 R154 K159 M160 | I152-T156 WeakPolarHBondContact O-CB 3.49Å; I152-T156 PolarHBondContact O-N 2.91Å; I152-T156 PolarHBondContact O-OG1 2.93Å; K153-T156 PolarHBondContact O-N 3.16Å; R154-T156 VanDerWaalsContact C-N 3.33Å; R154-T156 PolarHBondContact O-N 3.09Å; T156-K159 PolarHBondContact O-N 2.83Å; T156-M160 WeakPolarHBondContact O-CB 3.34Å; T156-M160 PolarHBondContact O-N 3.36Å |
| 157 | H | 97.9 | Very high | 95.6 | Very high | 135 Ų | 135 | 110.4 Ų | 110.4 | 63% | 0.625 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 177.4 | -173.9 | 66.8 | 0 | 0 | 0 | 112 | K153 R154 L155 M160 K161 | K153-H157 PolarHBondContact O-N 3.38Å; R154-H157 PolarHBondContact O-N 2.86Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 2.91Å; H157-M160 PolarHBondContact O-N 3.38Å; H157-K161 PolarHBondContact O-N 3.2Å |
| 158 | E | 97.6 | Very high | 94.7 | Very high | 102 Ų | 102 | 107.6 Ų | 107.6 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 175.8 | -174.1 | 173.6 | -173.3 | 0 | 0 | 111.7 | R154 L155 M160 K161 E162 | R154-E158 IonicContact CZ-OE2 3.38Å; R154-E158 IonicContact NH1-OE2 3.57Å; R154-E158 PolarHBondContact NH1-OE2 3.44Å; R154-E158 IonicContact NH2-OE2 2.72Å; R154-E158 PolarHBondContact O-N 2.96Å; L155-E158 PolarHBondContact O-N 3.34Å; E158-M160 PolarHBondContact O-N 3.01Å; E158-K161 WeakPolarHBondContact O-CB 3.42Å; E158-K161 PolarHBondContact O-N 3.36Å; E158-E162 PolarHBondContact O-N 2.96Å |
| 159 | K | 96.4 | Very high | 93.3 | Very high | 119 Ų | 119 | 107.9 Ų | 107.9 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 177.4 | -72.8 | -72.7 | 160.6 | -160.4 | 0 | 113.1 | L155 T156 K161 E162 T163 | L155-K159 WeakPolarHBondContact O-CB 3.1Å; L155-K159 WeakPolarHBondContact O-CG 3.37Å; L155-K159 PolarHBondContact O-N 3.14Å; T156-K159 PolarHBondContact O-N 2.83Å; K159-K161 VanDerWaalsContact C-N 3.35Å; K159-E162 WeakPolarHBondContact CD-OE2 3.46Å; K159-E162 IonicContact NZ-OE1 2.83Å; K159-E162 IonicContact NZ-OE2 3.94Å; K159-E162 PolarHBondContact NZ-OE2 3.29Å; K159-E162 PolarHBondContact O-N 3.18Å; K159-T163 WeakPolarHBondContact O-CB 3.43Å; K159-T163 PolarHBondContact O-N 2.82Å; K159-T163 PolarHBondContact O-OG1 3.16Å |
| 160 | M | 96.6 | Very high | 91.6 | Very high | 130 Ų | 130 | 108.2 Ų | 108.2 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 174.2 | -173.8 | 175.7 | -179.6 | 0 | 0 | 111 | T156 H157 E158 T163 Q164 | T156-M160 WeakPolarHBondContact O-CB 3.34Å; T156-M160 PolarHBondContact O-N 3.36Å; H157-M160 PolarHBondContact O-N 3.38Å; E158-M160 PolarHBondContact O-N 3.01Å; M160-T163 PolarHBondContact O-N 3.24Å; M160-Q164 PolarHBondContact O-N 2.94Å |
| 161 | K | 96.1 | Very high | 89.8 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 175.1 | -175 | -177.7 | 174.1 | -169.3 | 0 | 111.8 | H157 E158 K159 T163 Q164 E165 | H157-K161 PolarHBondContact O-N 3.2Å; E158-K161 WeakPolarHBondContact O-CB 3.42Å; E158-K161 PolarHBondContact O-N 3.36Å; K159-K161 VanDerWaalsContact C-N 3.35Å; K161-T163 VanDerWaalsContact C-N 3.29Å; K161-T163 PolarHBondContact O-N 3.49Å; K161-Q164 PolarHBondContact O-N 2.96Å; K161-Q164 VanDerWaalsContact O-N 3.15Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.69Å; K161-E165 WeakPolarHBondContact O-CG 3.43Å; K161-E165 PolarHBondContact O-N 3.46Å |
| 162 | E | 94.8 | Very high | 88 | Confident | 84 Ų | 84 | 112.6 Ų | 112.6 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.1 | -43.4 | 175.6 | -176.1 | -176 | 178.7 | 0 | 0 | 111.4 | E158 K159 Q164 E165 L166 | E158-E162 PolarHBondContact O-N 2.96Å; K159-E162 WeakPolarHBondContact CD-OE2 3.46Å; K159-E162 IonicContact NZ-OE1 2.83Å; K159-E162 IonicContact NZ-OE2 3.94Å; K159-E162 PolarHBondContact NZ-OE2 3.29Å; K159-E162 PolarHBondContact O-N 3.18Å; E162-Q164 PolarHBondContact O-N 3.46Å; E162-E165 PolarHBondContact O-N 2.75Å; E162-L166 HydrophobicContact CG-CD1 4.34Å; E162-L166 WeakPolarHBondContact O-CB 3.37Å; E162-L166 WeakPolarHBondContact O-CG 3.4Å; E162-L166 PolarHBondContact O-N 3.45Å |
| 163 | T | 93.2 | Very high | 86 | Confident | 77 Ų | 77 | 111.3 Ų | 111.3 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 177 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | K159 M160 K161 L166 L167 | K159-T163 WeakPolarHBondContact O-CB 3.43Å; K159-T163 PolarHBondContact O-N 2.82Å; K159-T163 PolarHBondContact O-OG1 3.16Å; M160-T163 PolarHBondContact O-N 3.24Å; K161-T163 VanDerWaalsContact C-N 3.29Å; K161-T163 PolarHBondContact O-N 3.49Å; T163-L166 PolarHBondContact O-N 3.12Å; T163-L167 HydrophobicContact CG2-CD1 4.21Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CG 3.49Å; T163-L167 PolarHBondContact O-N 2.84Å |
| 164 | Q | 91.4 | Very high | 84.2 | Confident | 132 Ų | 132 | 109.4 Ų | 109.4 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 177.3 | -175.6 | 174.9 | 8.4 | 0 | 0 | 112 | M160 K161 E162 L167 S168 | M160-Q164 PolarHBondContact O-N 2.94Å; K161-Q164 PolarHBondContact O-N 2.96Å; K161-Q164 VanDerWaalsContact O-N 3.15Å; E162-Q164 PolarHBondContact O-N 3.46Å; Q164-L167 PolarHBondContact O-N 2.98Å; Q164-S168 WeakPolarHBondContact O-CB 3.21Å; Q164-S168 PolarHBondContact O-N 3.09Å |
| 165 | E | 90.4 | Very high | 82.6 | Confident | 102 Ų | 102 | 108 Ų | 108 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 175 | -73 | 175.7 | -176.1 | 0 | 0 | 111.5 | K161 E162 S168 N169 | K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.69Å; K161-E165 WeakPolarHBondContact O-CG 3.43Å; K161-E165 PolarHBondContact O-N 3.46Å; E162-E165 PolarHBondContact O-N 2.75Å; E165-S168 PolarHBondContact O-N 3.44Å; E165-N169 WeakPolarHBondContact O-CB 3.37Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.27Å |
| 166 | L | 86.9 | Confident | 81.3 | Confident | 95 Ų | 95 | 112.1 Ų | 112.1 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -39.4 | 175.7 | -73.4 | 174.5 | 0 | 0 | 0 | 112.7 | E162 T163 K170 | E162-L166 HydrophobicContact CG-CD1 4.34Å; E162-L166 WeakPolarHBondContact O-CB 3.37Å; E162-L166 WeakPolarHBondContact O-CG 3.4Å; E162-L166 PolarHBondContact O-N 3.45Å; T163-L166 PolarHBondContact O-N 3.12Å; L166-K170 WeakPolarHBondContact O-CG 3.46Å; L166-K170 PolarHBondContact O-N 3.45Å; L166-K170 VanDerWaalsContact O-N 3.08Å |
| 167 | L | 82.9 | Confident | 80.2 | Confident | 104 Ų | 104 | 114.1 Ų | 114.1 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -48 | 174.3 | -74.9 | 170.1 | 0 | 0 | 0 | 110.8 | T163 Q164 N169 K170 E171 | T163-L167 HydrophobicContact CG2-CD1 4.21Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CG 3.49Å; T163-L167 PolarHBondContact O-N 2.84Å; Q164-L167 PolarHBondContact O-N 2.98Å; L167-N169 VanDerWaalsContact C-N 3.32Å; L167-N169 PolarHBondContact O-N 3.47Å; L167-K170 PolarHBondContact O-N 3.2Å; L167-K170 VanDerWaalsContact O-N 3.17Å; L167-E171 PolarHBondContact O-N 2.75Å; L167-E171 VanDerWaalsContact O-N 3.16Å |
| 168 | S | 80.7 | Confident | 79 | Confident | 64 Ų | 64 | 115.9 Ų | 115.9 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.7 | -36.8 | 178 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | Q164 E165 E171 | Q164-S168 WeakPolarHBondContact O-CB 3.21Å; Q164-S168 PolarHBondContact O-N 3.09Å; E165-S168 PolarHBondContact O-N 3.44Å; S168-E171 PolarHBondContact O-N 3.39Å |
| 169 | N | 69.4 | Low | 78.2 | Confident | 118 Ų | 118 | 117 Ų | 117 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.6 | -32.7 | 175.9 | -78.1 | -17.1 | 0 | 0 | 0 | 112.8 | E165 L167 E171 | E165-N169 WeakPolarHBondContact O-CB 3.37Å; E165-N169 VanDerWaalsContact O-CG 3.3Å; E165-N169 PolarHBondContact O-N 3.27Å; L167-N169 VanDerWaalsContact C-N 3.32Å; L167-N169 PolarHBondContact O-N 3.47Å; N169-E171 PolarHBondContact O-N 2.96Å |
| 170 | K | 62 | Low | 77.6 | Confident | 176 Ų | 176 | 113.9 Ų | 113.9 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.8 | -21.2 | 171.8 | -75.7 | 177.6 | 179.8 | -179.5 | 0 | 112.6 | L166 L167 H172 | L166-K170 WeakPolarHBondContact O-CG 3.46Å; L166-K170 PolarHBondContact O-N 3.45Å; L166-K170 VanDerWaalsContact O-N 3.08Å; L167-K170 PolarHBondContact O-N 3.2Å; L167-K170 VanDerWaalsContact O-N 3.17Å; K170-H172 VanDerWaalsContact C-N 3.3Å; K170-H172 PolarHBondContact O-N 3.47Å |
| 171 | E | 59.8 | Low | 77 | Confident | 161 Ų | 161 | 112.8 Ų | 112.8 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 8.9 | -176.6 | -147.3 | 157.8 | -162.2 | 0 | 0 | 113.3 | L167 S168 N169 | L167-E171 PolarHBondContact O-N 2.75Å; L167-E171 VanDerWaalsContact O-N 3.16Å; S168-E171 PolarHBondContact O-N 3.39Å; N169-E171 PolarHBondContact O-N 2.96Å |
| 172 | H | 62 | Low | 76.4 | Confident | 131 Ų | 131 | 111.6 Ų | 111.6 | 61% | 0.606 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -112 | 169.4 | -176.8 | -119.2 | -41.2 | 0 | 0 | 0 | 114.3 | K170 D174 | K170-H172 VanDerWaalsContact C-N 3.3Å; K170-H172 PolarHBondContact O-N 3.47Å; H172-D174 VanDerWaalsContact C-N 3.27Å; H172-D174 PolarHBondContact O-N 3.35Å |
| 173 | P | 56.7 | Low | 76.2 | Confident | 79 Ų | 79 | 112.1 Ų | 112.1 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | S | Bend | -74.7 | 10.2 | -101.2 | 40.7 | -34.4 | 0 | 0 | 0 | 116.5 | |||
| 174 | D | 59.1 | Low | 76.1 | Confident | 95 Ų | 95 | 115 Ų | 115 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -91.1 | -11.1 | -174.8 | -75.8 | -20.3 | 0 | 0 | 0 | 113.5 | H172 E176 K177 Y178 | H172-D174 VanDerWaalsContact C-N 3.27Å; H172-D174 PolarHBondContact O-N 3.35Å; D174-E176 PolarHBondContact O-N 3.41Å; D174-K177 PolarHBondContact O-N 3.28Å; D174-K177 WeakPolarHBondContact OD1-CD 3.45Å; D174-K177 IonicContact OD1-NZ 3.93Å; D174-K177 PolarHBondContact OD1-NZ 2.96Å; D174-Y178 VanDerWaalsContact O-CB 3.24Å; D174-Y178 WeakPolarHBondContact O-CB 3.48Å; D174-Y178 PolarHBondContact O-N 3.41Å |
| 175 | S | 65.8 | Low | 76 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.7 | -45.2 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | Y178 K179 | S175-Y178 PolarHBondContact O-N 2.94Å; S175-K179 VanDerWaalsContact O-CB 3.31Å; S175-K179 WeakPolarHBondContact O-CB 3.38Å; S175-K179 PolarHBondContact O-N 3.46Å |
| 176 | E | 70 | Confident | 75.9 | Confident | 161 Ų | 161 | 111.1 Ų | 111.1 | 75% | 0.752 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.8 | -39.1 | 178 | -67.4 | -169.8 | 158.4 | 0 | 0 | 112.4 | D174 K179 A180 | D174-E176 PolarHBondContact O-N 3.41Å; E176-K179 PolarHBondContact O-N 2.85Å; E176-A180 WeakPolarHBondContact O-CB 3.39Å; E176-A180 PolarHBondContact O-N 3.36Å |
| 177 | K | 74 | Confident | 76.3 | Confident | 127 Ų | 127 | 112.7 Ų | 112.7 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.8 | -42.7 | 176 | -64.5 | -174.2 | -160.2 | 145.2 | 0 | 111.7 | D174 K179 A180 V181 | D174-K177 PolarHBondContact O-N 3.28Å; D174-K177 WeakPolarHBondContact OD1-CD 3.45Å; D174-K177 IonicContact OD1-NZ 3.93Å; D174-K177 PolarHBondContact OD1-NZ 2.96Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-A180 PolarHBondContact O-N 2.97Å; K177-V181 WeakPolarHBondContact O-CG2 3.24Å; K177-V181 PolarHBondContact O-N 2.83Å |
| 178 | Y | 73.9 | Confident | 76.7 | Confident | 172 Ų | 172 | 111.3 Ų | 111.3 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.2 | -41.4 | 177.6 | -169.1 | -95.8 | 0 | 0 | 0 | 111 | D174 S175 V181 L182 | D174-Y178 VanDerWaalsContact O-CB 3.24Å; D174-Y178 WeakPolarHBondContact O-CB 3.48Å; D174-Y178 PolarHBondContact O-N 3.41Å; S175-Y178 PolarHBondContact O-N 2.94Å; Y178-V181 PolarHBondContact O-N 3.4Å; Y178-L182 WeakPolarHBondContact O-CB 3.33Å; Y178-L182 PolarHBondContact O-N 2.98Å |
| 179 | K | 79.9 | Confident | 77.2 | Confident | 125 Ų | 125 | 113.6 Ų | 113.6 | 54% | 0.543 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.1 | -47.1 | 174 | -171 | -177.9 | 177.4 | -169.5 | 0 | 112 | S175 E176 K177 V181 L182 E183 | S175-K179 VanDerWaalsContact O-CB 3.31Å; S175-K179 WeakPolarHBondContact O-CB 3.38Å; S175-K179 PolarHBondContact O-N 3.46Å; E176-K179 PolarHBondContact O-N 2.85Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K179-V181 PolarHBondContact O-N 3.38Å; K179-L182 PolarHBondContact O-N 3.48Å; K179-E183 WeakPolarHBondContact CE-OE1 3.28Å; K179-E183 WeakPolarHBondContact O-CG 3.47Å; K179-E183 PolarHBondContact O-N 3.13Å |
| 180 | A | 83.1 | Confident | 78.2 | Confident | 54 Ų | 54 | 112 Ų | 112 | 45% | 0.446 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.3 | -38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | E176 K177 K184 | E176-A180 WeakPolarHBondContact O-CB 3.39Å; E176-A180 PolarHBondContact O-N 3.36Å; K177-A180 PolarHBondContact O-N 2.97Å; A180-K184 WeakPolarHBondContact O-CB 3.48Å; A180-K184 PolarHBondContact O-N 3Å; A180-K184 VanDerWaalsContact O-N 3.1Å |
| 181 | V | 85.9 | Confident | 79.7 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 65% | 0.648 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 111 | K177 Y178 K179 G185 | K177-V181 WeakPolarHBondContact O-CG2 3.24Å; K177-V181 PolarHBondContact O-N 2.83Å; Y178-V181 PolarHBondContact O-N 3.4Å; K179-V181 PolarHBondContact O-N 3.38Å; V181-G185 PolarHBondContact O-N 3.5Å |
| 182 | L | 83.1 | Confident | 81.1 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 178 | -173.4 | 67.7 | 0 | 0 | 0 | 111.9 | Y178 K179 K184 G185 Q186 | Y178-L182 WeakPolarHBondContact O-CB 3.33Å; Y178-L182 PolarHBondContact O-N 2.98Å; K179-L182 PolarHBondContact O-N 3.48Å; L182-K184 PolarHBondContact O-N 2.93Å; L182-G185 PolarHBondContact O-N 3.14Å; L182-G185 VanDerWaalsContact O-N 3.14Å; L182-Q186 WeakPolarHBondContact O-CG 3.31Å; L182-Q186 PolarHBondContact O-N 3.22Å |
| 183 | E | 89.3 | Confident | 82.3 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 177 | -75.7 | 175.1 | 178 | 0 | 0 | 110.9 | K179 G185 Q186 E187 | K179-E183 WeakPolarHBondContact CE-OE1 3.28Å; K179-E183 WeakPolarHBondContact O-CG 3.47Å; K179-E183 PolarHBondContact O-N 3.13Å; E183-G185 VanDerWaalsContact C-N 3.3Å; E183-G185 PolarHBondContact O-N 3.38Å; E183-Q186 PolarHBondContact O-N 3.28Å; E183-E187 WeakPolarHBondContact O-CG 3.5Å; E183-E187 PolarHBondContact O-N 3.09Å |
| 184 | K | 92.2 | Very high | 83.8 | Confident | 137 Ų | 137 | 107.1 Ų | 107.1 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -36 | 175.5 | -173 | 175.9 | -178.3 | 177.6 | 0 | 112.8 | A180 L182 N188 | A180-K184 WeakPolarHBondContact O-CB 3.48Å; A180-K184 PolarHBondContact O-N 3Å; A180-K184 VanDerWaalsContact O-N 3.1Å; L182-K184 PolarHBondContact O-N 2.93Å; K184-N188 WeakPolarHBondContact O-CB 3.2Å; K184-N188 PolarHBondContact O-N 2.71Å; K184-N188 VanDerWaalsContact O-N 3.12Å |
| 185 | G | 88.7 | Confident | 85.3 | Confident | 38 Ų | 38 | 107.5 Ų | 107.5 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V181 L182 E183 N188 L189 | V181-G185 PolarHBondContact O-N 3.5Å; L182-G185 PolarHBondContact O-N 3.14Å; L182-G185 VanDerWaalsContact O-N 3.14Å; E183-G185 VanDerWaalsContact C-N 3.3Å; E183-G185 PolarHBondContact O-N 3.38Å; G185-N188 PolarHBondContact O-N 3.17Å; G185-L189 WeakPolarHBondContact O-CB 3.33Å; G185-L189 PolarHBondContact O-N 3.49Å |
| 186 | Q | 89.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 177 | -73.8 | 178.8 | -26 | 0 | 0 | 112.2 | L182 E183 N188 L189 E190 | L182-Q186 WeakPolarHBondContact O-CG 3.31Å; L182-Q186 PolarHBondContact O-N 3.22Å; E183-Q186 PolarHBondContact O-N 3.28Å; Q186-N188 VanDerWaalsContact C-N 3.33Å; Q186-N188 PolarHBondContact O-N 3.49Å; Q186-L189 PolarHBondContact O-N 3.46Å; Q186-E190 PolarHBondContact O-N 2.98Å |
| 187 | E | 93.8 | Very high | 86.8 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.1 | -46.2 | 175.1 | -74.1 | -179.9 | 173 | 0 | 0 | 111.6 | E183 L189 E190 I191 | E183-E187 WeakPolarHBondContact O-CG 3.5Å; E183-E187 PolarHBondContact O-N 3.09Å; E187-L189 PolarHBondContact O-N 2.91Å; E187-E190 PolarHBondContact O-N 2.95Å; E187-I191 WeakPolarHBondContact O-CG1 3.16Å; E187-I191 PolarHBondContact O-N 3.33Å |
| 188 | N | 92.4 | Very high | 87.3 | Confident | 74 Ų | 74 | 100.1 Ų | 100.1 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.9 | -76.8 | -13.7 | 0 | 0 | 0 | 111.9 | K184 G185 Q186 E190 I191 Y192 | K184-N188 WeakPolarHBondContact O-CB 3.2Å; K184-N188 PolarHBondContact O-N 2.71Å; K184-N188 VanDerWaalsContact O-N 3.12Å; G185-N188 PolarHBondContact O-N 3.17Å; Q186-N188 VanDerWaalsContact C-N 3.33Å; Q186-N188 PolarHBondContact O-N 3.49Å; N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.35Å; N188-I191 PolarHBondContact O-N 3.22Å; N188-Y192 WeakPolarHBondContact O-CD2 3.34Å; N188-Y192 PolarHBondContact O-N 2.86Å |
| 189 | L | 90.6 | Very high | 87.9 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 177.7 | -178.3 | 63.6 | 0 | 0 | 0 | 111.3 | G185 Q186 E187 I191 Y192 K193 | G185-L189 WeakPolarHBondContact O-CB 3.33Å; G185-L189 PolarHBondContact O-N 3.49Å; Q186-L189 PolarHBondContact O-N 3.46Å; E187-L189 PolarHBondContact O-N 2.91Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.43Å; L189-Y192 PolarHBondContact O-N 3.46Å; L189-K193 VanDerWaalsContact O-CB 3.3Å; L189-K193 WeakPolarHBondContact O-CB 3.35Å; L189-K193 PolarHBondContact O-N 3.23Å |
| 190 | E | 90.6 | Very high | 88 | Confident | 84 Ų | 84 | 91.2 Ų | 91.2 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 177.3 | -76.5 | -59.1 | 130.5 | 0 | 0 | 112.6 | Q186 E187 N188 K193 K194 | Q186-E190 PolarHBondContact O-N 2.98Å; E187-E190 PolarHBondContact O-N 2.95Å; N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.35Å; E190-K193 IonicContact OE1-NZ 2.76Å; E190-K194 WeakPolarHBondContact O-CG 3.48Å; E190-K194 PolarHBondContact O-N 2.84Å |
| 191 | I | 93.1 | Very high | 88 | Confident | 84 Ų | 84 | 93.1 Ų | 93.1 | 43% | 0.431 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 172.2 | -68.1 | 166.5 | 0 | 0 | 0 | 110.5 | E187 N188 L189 K193 K194 M195 | E187-I191 WeakPolarHBondContact O-CG1 3.16Å; E187-I191 PolarHBondContact O-N 3.33Å; N188-I191 PolarHBondContact O-N 3.22Å; L189-I191 VanDerWaalsContact C-N 3.33Å; L189-I191 PolarHBondContact O-N 3.43Å; I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 2.96Å; I191-K194 PolarHBondContact O-N 3.34Å; I191-M195 HydrophobicContact CG2-CE 3.76Å; I191-M195 HydrophobicContact CG2-SD 4.49Å; I191-M195 WeakPolarHBondContact O-CG 3.24Å; I191-M195 PolarHBondContact O-N 3.46Å |
| 192 | Y | 90.4 | Very high | 88 | Confident | 162 Ų | 162 | 92.4 Ų | 92.4 | 64% | 0.635 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.8 | -37.1 | 179.8 | -76.7 | -63.2 | 0 | 0 | 0 | 112.3 | N188 L189 M195 A196 | N188-Y192 WeakPolarHBondContact O-CD2 3.34Å; N188-Y192 PolarHBondContact O-N 2.86Å; L189-Y192 PolarHBondContact O-N 3.46Å; Y192-M195 PolarHBondContact O-N 3.1Å; Y192-A196 WeakPolarHBondContact O-CB 3.33Å; Y192-A196 PolarHBondContact O-N 2.94Å |
| 193 | K | 86.1 | Confident | 88.1 | Confident | 68 Ų | 68 | 92.1 Ų | 92.1 | 30% | 0.296 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 173.6 | -174.9 | 178.1 | 176.9 | -177 | 0 | 111.2 | L189 E190 I191 M195 A196 I197 | L189-K193 VanDerWaalsContact O-CB 3.3Å; L189-K193 WeakPolarHBondContact O-CB 3.35Å; L189-K193 PolarHBondContact O-N 3.23Å; E190-K193 IonicContact OE1-NZ 2.76Å; I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 2.96Å; K193-M195 PolarHBondContact O-N 3.12Å; K193-A196 PolarHBondContact O-N 2.98Å; K193-I197 HydrophobicContact CG-CD1 4.28Å; K193-I197 VanDerWaalsContact O-CG1 3.31Å; K193-I197 WeakPolarHBondContact O-CG1 3.39Å; K193-I197 PolarHBondContact O-N 3.46Å |
| 194 | K | 88.6 | Confident | 87.5 | Confident | 130 Ų | 130 | 90.9 Ų | 90.9 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 174.8 | -72.6 | 172.8 | -175.7 | 173.7 | 0 | 112.2 | E190 I191 I197 M198 | E190-K194 WeakPolarHBondContact O-CG 3.48Å; E190-K194 PolarHBondContact O-N 2.84Å; I191-K194 PolarHBondContact O-N 3.34Å; K194-I197 PolarHBondContact O-N 2.85Å; K194-M198 WeakPolarHBondContact O-CG 3.48Å; K194-M198 PolarHBondContact O-N 2.84Å |
| 195 | M | 89.6 | Confident | 87.1 | Confident | 103 Ų | 103 | 86.1 Ų | 86.1 | 51% | 0.507 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 176.3 | -74.1 | -173.2 | -173.5 | 0 | 0 | 112.2 | I191 Y192 K193 M198 A199 | I191-M195 HydrophobicContact CG2-CE 3.76Å; I191-M195 HydrophobicContact CG2-SD 4.49Å; I191-M195 WeakPolarHBondContact O-CG 3.24Å; I191-M195 PolarHBondContact O-N 3.46Å; Y192-M195 PolarHBondContact O-N 3.1Å; K193-M195 PolarHBondContact O-N 3.12Å; M195-M198 HydrophobicContact CG-CE 4.16Å; M195-M198 PolarHBondContact O-N 3.43Å; M195-A199 WeakPolarHBondContact O-CB 3.11Å; M195-A199 PolarHBondContact O-N 3.18Å |
| 196 | A | 85.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 88.8 Ų | 88.8 | 34% | 0.339 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y192 K193 M198 A199 Q200 | Y192-A196 WeakPolarHBondContact O-CB 3.33Å; Y192-A196 PolarHBondContact O-N 2.94Å; K193-A196 PolarHBondContact O-N 2.98Å; A196-M198 PolarHBondContact O-N 3.36Å; A196-A199 PolarHBondContact O-N 2.94Å; A196-Q200 WeakPolarHBondContact O-CB 3.48Å; A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.92Å |
| 197 | I | 83.8 | Confident | 86.3 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 33% | 0.328 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.2 | -66.6 | 164.3 | 0 | 0 | 0 | 111 | K193 K194 A199 Q200 N201 | K193-I197 HydrophobicContact CG-CD1 4.28Å; K193-I197 VanDerWaalsContact O-CG1 3.31Å; K193-I197 WeakPolarHBondContact O-CG1 3.39Å; K193-I197 PolarHBondContact O-N 3.46Å; K194-I197 PolarHBondContact O-N 2.85Å; I197-A199 PolarHBondContact O-N 3.44Å; I197-Q200 PolarHBondContact O-N 3.27Å; I197-N201 WeakPolarHBondContact O-CB 3.45Å; I197-N201 VanDerWaalsContact O-CG 3.28Å; I197-N201 PolarHBondContact O-N 2.98Å; I197-N201 PolarHBondContact O-ND2 3.27Å |
| 198 | M | 84.9 | Confident | 85.5 | Confident | 116 Ų | 116 | 82.9 Ų | 82.9 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 176.9 | -73.3 | -172.3 | -63.3 | 0 | 0 | 111.9 | K194 M195 A196 Q200 N201 V202 | K194-M198 WeakPolarHBondContact O-CG 3.48Å; K194-M198 PolarHBondContact O-N 2.84Å; M195-M198 HydrophobicContact CG-CE 4.16Å; M195-M198 PolarHBondContact O-N 3.43Å; A196-M198 PolarHBondContact O-N 3.36Å; M198-Q200 PolarHBondContact O-N 3.33Å; M198-N201 PolarHBondContact O-N 3.46Å; M198-V202 WeakPolarHBondContact O-CG2 3.44Å; M198-V202 PolarHBondContact O-N 3.48Å |
| 199 | A | 85.6 | Confident | 84.8 | Confident | 63 Ų | 63 | 83.4 Ų | 83.4 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M195 A196 I197 V202 L203 | M195-A199 WeakPolarHBondContact O-CB 3.11Å; M195-A199 PolarHBondContact O-N 3.18Å; A196-A199 PolarHBondContact O-N 2.94Å; I197-A199 PolarHBondContact O-N 3.44Å; A199-V202 PolarHBondContact O-N 3.21Å; A199-L203 WeakPolarHBondContact O-CB 3.17Å; A199-L203 PolarHBondContact O-N 3.42Å |
| 200 | Q | 82.1 | Confident | 84.1 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.9 | -74.5 | 177.3 | -37.7 | 0 | 0 | 112 | A196 I197 M198 V202 L203 R204 L227 F230 | A196-Q200 WeakPolarHBondContact O-CB 3.48Å; A196-Q200 WeakPolarHBondContact O-CG 3.48Å; A196-Q200 PolarHBondContact O-N 2.92Å; I197-Q200 PolarHBondContact O-N 3.27Å; M198-Q200 PolarHBondContact O-N 3.33Å; Q200-V202 VanDerWaalsContact C-N 3.34Å; Q200-V202 PolarHBondContact O-N 2.92Å; Q200-L203 PolarHBondContact O-N 2.94Å; Q200-R204 WeakPolarHBondContact O-CB 3.47Å; Q200-R204 PolarHBondContact O-N 3.49Å; Q200-L227 HydrophobicContact CB-CD2 3.81Å; Q200-L227 HydrophobicContact CG-CD2 3.65Å; Q200-F230 VanDerWaalsContact CD-CE2 3.5Å; Q200-F230 VanDerWaalsContact OE1-CE2 3.27Å |
| 201 | N | 82.4 | Confident | 82.8 | Confident | 94 Ų | 94 | 87.2 Ų | 87.2 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 177.7 | -74.7 | -25.4 | 0 | 0 | 0 | 112.3 | I197 M198 R204 G205 | I197-N201 WeakPolarHBondContact O-CB 3.45Å; I197-N201 VanDerWaalsContact O-CG 3.28Å; I197-N201 PolarHBondContact O-N 2.98Å; I197-N201 PolarHBondContact O-ND2 3.27Å; M198-N201 PolarHBondContact O-N 3.46Å; N201-R204 PolarHBondContact O-N 3.11Å; N201-G205 PolarHBondContact O-N 2.79Å |
| 202 | V | 86.7 | Confident | 81.6 | Confident | 91 Ų | 91 | 87.2 Ų | 87.2 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | M198 A199 Q200 R204 G205 I206 | M198-V202 WeakPolarHBondContact O-CG2 3.44Å; M198-V202 PolarHBondContact O-N 3.48Å; A199-V202 PolarHBondContact O-N 3.21Å; Q200-V202 VanDerWaalsContact C-N 3.34Å; Q200-V202 PolarHBondContact O-N 2.92Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.27Å; V202-G205 PolarHBondContact O-N 3.47Å; V202-I206 HydrophobicContact CG1-CD1 3.91Å; V202-I206 WeakPolarHBondContact O-CG1 3.49Å; V202-I206 PolarHBondContact O-N 3.04Å |
| 203 | L | 84.5 | Confident | 80.6 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 45% | 0.45 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 178 | 179.7 | 61.6 | 0 | 0 | 0 | 111.5 | A199 Q200 I206 L207 L227 | A199-L203 WeakPolarHBondContact O-CB 3.17Å; A199-L203 PolarHBondContact O-N 3.42Å; Q200-L203 PolarHBondContact O-N 2.94Å; L203-I206 PolarHBondContact O-N 3.47Å; L203-L207 HydrophobicContact CD1-CD1 4.39Å; L203-L207 HydrophobicContact CD1-CG 4.43Å; L203-L207 HydrophobicContact CG-CD1 4.15Å; L203-L207 WeakPolarHBondContact O-CG 3.32Å; L203-L207 PolarHBondContact O-N 2.66Å; L203-L227 HydrophobicContact CD2-CD1 4.41Å |
| 204 | R | 78 | Confident | 80 | Confident | 69 Ų | 69 | 83.7 Ų | 83.7 | 26% | 0.26 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 174.6 | -175.3 | -177.7 | 179.9 | -178.8 | 5.7 | 111.6 | Q200 N201 V202 I206 L207 L208 E228 | Q200-R204 WeakPolarHBondContact O-CB 3.47Å; Q200-R204 PolarHBondContact O-N 3.49Å; N201-R204 PolarHBondContact O-N 3.11Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.27Å; R204-I206 VanDerWaalsContact C-N 3.28Å; R204-I206 PolarHBondContact O-N 3.16Å; R204-L207 PolarHBondContact O-N 2.89Å; R204-L208 HydrophobicContact CG-CD1 4.07Å; R204-L208 HydrophobicContact CG-CG 4.42Å; R204-L208 WeakPolarHBondContact O-CB 3.43Å; R204-L208 WeakPolarHBondContact O-CG 3.3Å; R204-L208 PolarHBondContact O-N 3.31Å; R204-E228 IonicContact CZ-OE1 3.07Å; R204-E228 VanDerWaalsContact NH1-CG 3.35Å; R204-E228 IonicContact NH1-OE1 2.77Å; R204-E228 PolarHBondContact NH1-OE1 2.96Å; R204-E228 IonicContact NH2-OE1 2.64Å; R204-E228 PolarHBondContact NH2-OE1 3.48Å |
| 205 | G | 81.9 | Confident | 79.1 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 38% | 0.381 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.5 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N201 V202 A209 | N201-G205 PolarHBondContact O-N 2.79Å; V202-G205 PolarHBondContact O-N 3.47Å; G205-A209 VanDerWaalsContact O-CB 3.31Å; G205-A209 WeakPolarHBondContact O-CB 3.49Å; G205-A209 PolarHBondContact O-N 3.32Å |
| 206 | I | 83.9 | Confident | 78.4 | Confident | 93 Ų | 93 | 82.6 Ų | 82.6 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -49.8 | 175.2 | -66.6 | 167.2 | 0 | 0 | 0 | 110.6 | V202 L203 R204 L208 A209 C210 | V202-I206 HydrophobicContact CG1-CD1 3.91Å; V202-I206 WeakPolarHBondContact O-CG1 3.49Å; V202-I206 PolarHBondContact O-N 3.04Å; L203-I206 PolarHBondContact O-N 3.47Å; R204-I206 VanDerWaalsContact C-N 3.28Å; R204-I206 PolarHBondContact O-N 3.16Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 2.64Å; I206-A209 PolarHBondContact O-N 2.77Å; I206-A209 VanDerWaalsContact O-N 3.11Å; I206-C210 WeakPolarHBondContact O-CB 3.31Å; I206-C210 PolarHBondContact O-N 3.48Å; I206-C210 PolarHBondContact O-SG 3.48Å |
| 207 | L | 77.8 | Confident | 78.2 | Confident | 38 Ų | 38 | 86 Ų | 86 | 20% | 0.199 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | -179.8 | -73.7 | 171.7 | 0 | 0 | 0 | 112.4 | L203 R204 V224 L227 | L203-L207 HydrophobicContact CD1-CD1 4.39Å; L203-L207 HydrophobicContact CD1-CG 4.43Å; L203-L207 HydrophobicContact CG-CD1 4.15Å; L203-L207 WeakPolarHBondContact O-CG 3.32Å; L203-L207 PolarHBondContact O-N 2.66Å; R204-L207 PolarHBondContact O-N 2.89Å; L207-V224 HydrophobicContact CB-CG2 4.15Å; L207-V224 HydrophobicContact CD1-CG2 3.81Å; L207-L227 HydrophobicContact CD1-CD1 4.39Å |
| 208 | L | 76.8 | Confident | 77.9 | Confident | 82 Ų | 82 | 86.7 Ų | 86.7 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.5 | -35.5 | 175.2 | -71.5 | 174.1 | 0 | 0 | 0 | 112.8 | R204 I206 W214 | R204-L208 HydrophobicContact CG-CD1 4.07Å; R204-L208 HydrophobicContact CG-CG 4.42Å; R204-L208 WeakPolarHBondContact O-CB 3.43Å; R204-L208 WeakPolarHBondContact O-CG 3.3Å; R204-L208 PolarHBondContact O-N 3.31Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 PolarHBondContact O-N 2.64Å; L208-W214 HydrophobicContact CD2-CH2 3.96Å; L208-W214 HydrophobicContact CD2-CZ2 3.44Å; L208-W214 VanDerWaalsContact CD2-CZ2 3.44Å |
| 209 | A | 78.4 | Confident | 77.6 | Confident | 85 Ų | 85 | 86.4 Ų | 86.4 | 70% | 0.702 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -80.6 | -26.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G205 I206 K211 | G205-A209 VanDerWaalsContact O-CB 3.31Å; G205-A209 WeakPolarHBondContact O-CB 3.49Å; G205-A209 PolarHBondContact O-N 3.32Å; I206-A209 PolarHBondContact O-N 2.77Å; I206-A209 VanDerWaalsContact O-N 3.11Å; A209-K211 PolarHBondContact O-N 2.94Å |
| 210 | C | 75.1 | Confident | 77.1 | Confident | 56 Ų | 56 | 85.8 Ų | 85.8 | 38% | 0.378 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -67.7 | 129.5 | 174.1 | -73.7 | 0 | 0 | 0 | 0 | 110.2 | I206 V212 | I206-C210 WeakPolarHBondContact O-CB 3.31Å; I206-C210 PolarHBondContact O-N 3.48Å; I206-C210 PolarHBondContact O-SG 3.48Å; C210-V212 HydrophobicContact CB-CG2 4.14Å; C210-V212 PolarHBondContact O-N 3.26Å |
| 211 | K | 65 | Low | 76.8 | Confident | 221 Ų | 221 | 89.4 Ų | 89.4 | 96% | 0.961 | 48% | 0.478 | S | S | * | . | trans | -70.7 | 36.1 | 172.5 | -71.1 | -173.9 | 173.7 | -178.9 | 0 | 113.2 | A209 | A209-K211 PolarHBondContact O-N 2.94Š| ||
| 212 | V | 67.9 | Low | 76.5 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | trans | -84 | 135.9 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 106.3 | C210 W214 L220 | C210-V212 HydrophobicContact CB-CG2 4.14Å; C210-V212 PolarHBondContact O-N 3.26Å; V212-W214 PolarHBondContact O-N 3.24Å; V212-L220 HydrophobicContact CG1-CD2 3.89Å | ||
| 213 | N | 69.3 | Low | 76 | Confident | 104 Ų | 104 | 90.4 Ų | 90.4 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | trans | -79 | 58.3 | -176.4 | -151.3 | 10.8 | 0 | 0 | 0 | 111 | L215 D216 E217 | N213-L215 PolarHBondContact O-N 3.04Å; N213-L215 VanDerWaalsContact O-N 3.16Å; N213-D216 VanDerWaalsContact CG-OD2 3.29Å; N213-D216 PolarHBondContact ND2-OD2 2.93Å; N213-D216 PolarHBondContact O-N 3.05Å; N213-D216 VanDerWaalsContact O-N 3.11Å; N213-D216 PolarHBondContact OD1-OD2 3.25Å; N213-E217 PolarHBondContact O-N 3.18Å | ||
| 214 | W | 73.5 | Confident | 75.5 | Confident | 51 Ų | 51 | 86.5 Ų | 86.5 | 19% | 0.193 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18.3 | -173.1 | 61.2 | -98.7 | 0 | 0 | 0 | 113.2 | L208 V212 D216 L220 R221 V224 | L208-W214 HydrophobicContact CD2-CH2 3.96Å; L208-W214 HydrophobicContact CD2-CZ2 3.44Å; L208-W214 VanDerWaalsContact CD2-CZ2 3.44Å; V212-W214 PolarHBondContact O-N 3.24Å; W214-D216 VanDerWaalsContact C-N 3.34Å; W214-L220 HydrophobicContact CB-CB 4.4Å; W214-L220 HydrophobicContact CB-CD2 3.72Å; W214-L220 HydrophobicContact CB-CG 4.24Å; W214-R221 PolarHBondContact O-N 2.95Å; W214-V224 HydrophobicContact CE3-CB 4.45Å; W214-V224 HydrophobicContact CE3-CG1 4.27Å; W214-V224 HydrophobicContact CZ3-CG1 4.18Å |
| 215 | L | 68.1 | Low | 75.2 | Confident | 97 Ų | 97 | 87.7 Ų | 87.7 | 51% | 0.508 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -32.4 | 176 | -167.4 | 67.5 | 0 | 0 | 0 | 112.2 | N213 | N213-L215 PolarHBondContact O-N 3.04Å; N213-L215 VanDerWaalsContact O-N 3.16Å |
| 216 | D | 75.6 | Confident | 74.6 | Confident | 114 Ų | 114 | 89.9 Ų | 89.9 | 61% | 0.61 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -16.4 | -176.3 | -67.6 | -20.5 | 0 | 0 | 0 | 112.7 | N213 W214 P218 | N213-D216 VanDerWaalsContact CG-OD2 3.29Å; N213-D216 PolarHBondContact ND2-OD2 2.93Å; N213-D216 PolarHBondContact O-N 3.05Å; N213-D216 VanDerWaalsContact O-N 3.11Å; N213-D216 PolarHBondContact OD1-OD2 3.25Å; W214-D216 VanDerWaalsContact C-N 3.34Å; D216-P218 WeakPolarHBondContact O-CD 3.4Å |
| 217 | E | 80.6 | Confident | 73.9 | Confident | 113 Ų | 113 | 86.6 Ų | 86.6 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | trans | -92.6 | 105.8 | 174.8 | -85.3 | -87.8 | 153.9 | 0 | 0 | 110.4 | N213 N219 L220 R221 | N213-E217 PolarHBondContact O-N 3.18Å; E217-N219 VanDerWaalsContact C-N 3.35Å; E217-N219 PolarHBondContact O-N 2.96Å; E217-L220 HydrophobicContact CB-CB 3.88Å; E217-L220 PolarHBondContact O-N 3.43Å; E217-L220 VanDerWaalsContact O-N 3.13Å; E217-R221 WeakPolarHBondContact O-CB 3.29Å; E217-R221 PolarHBondContact O-N 3.29Å | ||
| 218 | P | 78.3 | Confident | 73.1 | Confident | 78 Ų | 78 | 89.8 Ų | 89.8 | 51% | 0.506 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | -170.7 | 20.6 | -30.9 | 0 | 0 | 0 | 113.9 | D216 E222 | D216-P218 WeakPolarHBondContact O-CD 3.4Å; P218-E222 WeakPolarHBondContact O-CB 3.44Å; P218-E222 PolarHBondContact O-N 3.4Å |
| 219 | N | 77.9 | Confident | 72.1 | Confident | 110 Ų | 110 | 92 Ų | 92 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.8 | -38.3 | 177.4 | -64.3 | -28 | 0 | 0 | 0 | 111.8 | E217 E222 I223 | E217-N219 VanDerWaalsContact C-N 3.35Å; E217-N219 PolarHBondContact O-N 2.96Å; N219-E222 PolarHBondContact O-N 3.39Å; N219-I223 WeakPolarHBondContact O-CD1 3.49Å; N219-I223 VanDerWaalsContact O-CG1 3.28Å; N219-I223 WeakPolarHBondContact O-CG1 3.39Å; N219-I223 PolarHBondContact O-N 3.39Å; N219-I223 VanDerWaalsContact O-N 3.09Å |
| 220 | L | 75.1 | Confident | 71 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 26% | 0.262 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.8 | -37.1 | -179.7 | -144.2 | 70.1 | 0 | 0 | 0 | 110.8 | V212 W214 E217 I223 V224 | V212-L220 HydrophobicContact CG1-CD2 3.89Å; W214-L220 HydrophobicContact CB-CB 4.4Å; W214-L220 HydrophobicContact CB-CD2 3.72Å; W214-L220 HydrophobicContact CB-CG 4.24Å; E217-L220 HydrophobicContact CB-CB 3.88Å; E217-L220 PolarHBondContact O-N 3.43Å; E217-L220 VanDerWaalsContact O-N 3.13Å; L220-I223 PolarHBondContact O-N 3.49Å; L220-V224 WeakPolarHBondContact O-CB 3.49Å; L220-V224 VanDerWaalsContact O-CG2 3.29Å; L220-V224 WeakPolarHBondContact O-CG2 3.39Å; L220-V224 PolarHBondContact O-N 3.39Å |
| 221 | R | 76.3 | Confident | 70 | Confident | 124 Ų | 124 | 96.7 Ų | 96.7 | 47% | 0.468 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 170.8 | -169.3 | -179.5 | 77.3 | -169.6 | 5.3 | 111.6 | W214 E217 V224 M225 | W214-R221 PolarHBondContact O-N 2.95Å; E217-R221 WeakPolarHBondContact O-CB 3.29Å; E217-R221 PolarHBondContact O-N 3.29Å; R221-V224 PolarHBondContact O-N 2.8Å; R221-M225 HydrophobicContact CG-CG 4.37Å; R221-M225 WeakPolarHBondContact O-CB 3.35Å; R221-M225 WeakPolarHBondContact O-CG 3.34Å; R221-M225 PolarHBondContact O-N 2.94Å |
| 222 | E | 76.5 | Confident | 69.2 | Low | 120 Ų | 120 | 90.3 Ų | 90.3 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | 176.7 | -175.9 | 176.4 | -164.8 | 0 | 0 | 111.5 | P218 N219 V224 M225 T226 | P218-E222 WeakPolarHBondContact O-CB 3.44Å; P218-E222 PolarHBondContact O-N 3.4Å; N219-E222 PolarHBondContact O-N 3.39Å; E222-V224 PolarHBondContact O-N 2.87Å; E222-M225 PolarHBondContact O-N 3.49Å; E222-T226 HydrophobicContact CG-CG2 4.18Å; E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 VanDerWaalsContact O-CG2 3.24Å; E222-T226 WeakPolarHBondContact O-CG2 3.43Å; E222-T226 PolarHBondContact O-N 3.36Å; E222-T226 PolarHBondContact O-OG1 2.92Å |
| 223 | I | 75.6 | Confident | 68.2 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.5 | -67.4 | 164.7 | 0 | 0 | 0 | 111.4 | N219 L220 M225 T226 L227 | N219-I223 WeakPolarHBondContact O-CD1 3.49Å; N219-I223 VanDerWaalsContact O-CG1 3.28Å; N219-I223 WeakPolarHBondContact O-CG1 3.39Å; N219-I223 PolarHBondContact O-N 3.39Å; N219-I223 VanDerWaalsContact O-N 3.09Å; L220-I223 PolarHBondContact O-N 3.49Å; I223-M225 PolarHBondContact O-N 2.95Å; I223-T226 WeakPolarHBondContact CA-OG1 3.37Å; I223-T226 PolarHBondContact O-OG1 3.36Å; I223-L227 HydrophobicContact CG2-CD1 4.21Å; I223-L227 WeakPolarHBondContact O-CD1 3.45Å; I223-L227 WeakPolarHBondContact O-CG 3.35Å; I223-L227 PolarHBondContact O-N 3.31Å; I223-L227 VanDerWaalsContact O-N 3.17Å |
| 224 | V | 73.1 | Confident | 66.8 | Low | 3 Ų | 3 | 97.4 Ų | 97.4 | 2% | 0.018 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -66.5 | -36 | 178.9 | 172 | 0 | 0 | 0 | 0 | 112.3 | L207 W214 L220 R221 E222 | L207-V224 HydrophobicContact CB-CG2 4.15Å; L207-V224 HydrophobicContact CD1-CG2 3.81Å; W214-V224 HydrophobicContact CE3-CB 4.45Å; W214-V224 HydrophobicContact CE3-CG1 4.27Å; W214-V224 HydrophobicContact CZ3-CG1 4.18Å; L220-V224 WeakPolarHBondContact O-CB 3.49Å; L220-V224 VanDerWaalsContact O-CG2 3.29Å; L220-V224 WeakPolarHBondContact O-CG2 3.39Å; L220-V224 PolarHBondContact O-N 3.39Å; R221-V224 PolarHBondContact O-N 2.8Å; E222-V224 PolarHBondContact O-N 2.87Å |
| 225 | M | 71.9 | Confident | 66.4 | Low | 94 Ų | 94 | 99.7 Ų | 99.7 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -78.9 | -35.9 | 178.8 | -68.2 | -67.4 | -174.5 | 0 | 0 | 112.7 | R221 E222 I223 L227 E228 | R221-M225 HydrophobicContact CG-CG 4.37Å; R221-M225 WeakPolarHBondContact O-CB 3.35Å; R221-M225 WeakPolarHBondContact O-CG 3.34Å; R221-M225 PolarHBondContact O-N 2.94Å; E222-M225 PolarHBondContact O-N 3.49Å; I223-M225 PolarHBondContact O-N 2.95Å; M225-L227 VanDerWaalsContact C-N 3.31Å; M225-L227 PolarHBondContact O-N 3.31Å; M225-E228 WeakPolarHBondContact O-CB 3.37Å; M225-E228 PolarHBondContact O-N 3.11Å |
| 226 | T | 69.8 | Low | 66.3 | Low | 83 Ų | 83 | 99.8 Ų | 99.8 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.9 | -17 | 178.7 | 53 | 0 | 0 | 0 | 0 | 113.4 | E222 I223 E228 D229 | E222-T226 HydrophobicContact CG-CG2 4.18Å; E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 VanDerWaalsContact O-CG2 3.24Å; E222-T226 WeakPolarHBondContact O-CG2 3.43Å; E222-T226 PolarHBondContact O-N 3.36Å; E222-T226 PolarHBondContact O-OG1 2.92Å; I223-T226 WeakPolarHBondContact CA-OG1 3.37Å; I223-T226 PolarHBondContact O-OG1 3.36Å; T226-E228 PolarHBondContact O-N 2.91Å; T226-D229 PolarHBondContact O-N 3.21Å |
| 227 | L | 69.9 | Low | 65.8 | Low | 24 Ų | 24 | 99.1 Ų | 99.1 | 13% | 0.126 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.5 | 169.2 | -81 | 162.8 | 0 | 0 | 0 | 113.4 | Q200 L203 L207 I223 M225 | Q200-L227 HydrophobicContact CB-CD2 3.81Å; Q200-L227 HydrophobicContact CG-CD2 3.65Å; L203-L227 HydrophobicContact CD2-CD1 4.41Å; L207-L227 HydrophobicContact CD1-CD1 4.39Å; I223-L227 HydrophobicContact CG2-CD1 4.21Å; I223-L227 WeakPolarHBondContact O-CD1 3.45Å; I223-L227 WeakPolarHBondContact O-CG 3.35Å; I223-L227 PolarHBondContact O-N 3.31Å; I223-L227 VanDerWaalsContact O-N 3.17Å; M225-L227 VanDerWaalsContact C-N 3.31Å; M225-L227 PolarHBondContact O-N 3.31Å |
| 228 | E | 59.8 | Low | 65 | Low | 105 Ų | 105 | 98.2 Ų | 98.2 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -33.7 | 174.2 | -63.2 | -161.7 | 128.7 | 0 | 0 | 113.4 | R204 M225 T226 | R204-E228 IonicContact CZ-OE1 3.07Å; R204-E228 VanDerWaalsContact NH1-CG 3.35Å; R204-E228 IonicContact NH1-OE1 2.77Å; R204-E228 PolarHBondContact NH1-OE1 2.96Å; R204-E228 IonicContact NH2-OE1 2.64Å; R204-E228 PolarHBondContact NH2-OE1 3.48Å; M225-E228 WeakPolarHBondContact O-CB 3.37Å; M225-E228 PolarHBondContact O-N 3.11Å; T226-E228 PolarHBondContact O-N 2.91Å |
| 229 | D | 57.2 | Low | 64.1 | Low | 130 Ų | 130 | 99.5 Ų | 99.5 | 70% | 0.695 | 52% | 0.523 | S | S | * | . | trans | -117.7 | 105 | -168.3 | -70.1 | -31 | 0 | 0 | 0 | 110.7 | T226 P231 | T226-D229 PolarHBondContact O-N 3.21Å; D229-P231 WeakPolarHBondContact O-CD 3.31Å | ||
| 230 | F | 54.8 | Low | 63.2 | Low | 118 Ų | 118 | 98.8 Ų | 98.8 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | trans | -85.1 | 114.3 | 155.9 | -120 | -70.7 | 0 | 0 | 0 | 107.3 | Q200 I232 | Q200-F230 VanDerWaalsContact CD-CE2 3.5Å; Q200-F230 VanDerWaalsContact OE1-CE2 3.27Å; F230-I232 HydrophobicContact CB-CD1 4.35Å; F230-I232 HydrophobicContact CB-CG1 4.18Å; F230-I232 PolarHBondContact O-N 2.86Å | ||
| 231 | P | 53 | Low | 62.4 | Low | 121 Ų | 121 | 102.3 Ų | 102.3 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | trans | -71.5 | 91.1 | 168 | 29.2 | -30.4 | 0 | 0 | 0 | 107.2 | D229 S233 | D229-P231 WeakPolarHBondContact O-CD 3.31Å; P231-S233 PolarHBondContact O-N 3.49Å | ||
| 232 | I | 49.8 | Very low | 61.3 | Low | 87 Ų | 87 | 100.6 Ų | 100.6 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | trans | -85.5 | 96 | 167.2 | -59.4 | 153.2 | 0 | 0 | 0 | 104.3 | F230 D234 | F230-I232 HydrophobicContact CB-CD1 4.35Å; F230-I232 HydrophobicContact CB-CG1 4.18Å; F230-I232 PolarHBondContact O-N 2.86Å; I232-D234 PolarHBondContact O-N 3.06Å | ||
| 233 | S | 46.3 | Very low | 60 | Low | 114 Ų | 114 | 99 Ų | 99 | 80% | 0.797 | 54% | 0.54 | S | S | * | . | trans | -68.7 | 124.7 | 166.1 | -160 | 0 | 0 | 0 | 0 | 107.4 | P231 | P231-S233 PolarHBondContact O-N 3.49Š| ||
| 234 | D | 39 | Very low | 58.6 | Low | 223 Ų | 223 | 100.2 Ų | 100.2 | 100% | 1.193 | 55% | 0.549 | S | S | * | . | trans | -58.9 | 0 | 165.3 | -78.5 | -26.4 | 0 | 0 | 0 | 111.3 | I232 | I232-D234 PolarHBondContact O-N 3.06Š|
Retrieved 234 of 234 residues in 894.4 ms
(Link to these results)