| 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 | 49.4 | Very low | 51.5 | Low | 238 Ų | 238 | 141.4 Ų | 141.4 | 100% | 1.172 | 86% | 0.859 | S | S | * | * | 0 | 119.6 | 0 | -73.4 | 177.6 | 165.6 | 0 | 0 | 108.4 | |||||
| 2 | P | 62.2 | Low | 51.2 | Low | 125 Ų | 125 | 146.8 Ų | 146.8 | 81% | 0.812 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 143.7 | -178.5 | 33.6 | -29.7 | 0 | 0 | 0 | 111.7 | ||
| 3 | P | 67.2 | Low | 50.3 | Low | 130 Ų | 130 | 150.6 Ų | 150.6 | 84% | 0.844 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 139.8 | 176.1 | 31.9 | -30.3 | 0 | 0 | 0 | 111.6 | ||
| 4 | K | 56.2 | Low | 50.2 | Low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 124.9 | -174.7 | -158 | 175.1 | -174.8 | 178.5 | 0 | 110.1 | V6 | K4-V6 PolarHBondContact O-N 3.28Š|
| 5 | V | 54.5 | Low | 50.2 | Low | 148 Ų | 148 | 144.8 Ų | 144.8 | 90% | 0.897 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 126.6 | 175.6 | -77.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 6 | V | 53.6 | Low | 50.1 | Low | 125 Ų | 125 | 148.4 Ų | 148.4 | 76% | 0.758 | 86% | 0.857 | S | S | * | * | trans | -120.5 | 131.6 | 176.8 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | K4 | K4-V6 PolarHBondContact O-N 3.28Š| ||
| 7 | S | 48.7 | Very low | 50.5 | Low | 122 Ų | 122 | 147.2 Ų | 147.2 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | trans | 73.5 | 118.7 | 149 | 81.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 8 | G | 49.2 | Very low | 50.6 | Low | 81 Ų | 81 | 150 Ų | 150 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | trans | -168.1 | 72.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 9 | K | 38.1 | Very low | 51.1 | Low | 204 Ų | 204 | 149.8 Ų | 149.8 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | trans | -75.7 | 130.2 | -162.1 | -158.8 | 171.1 | -173.5 | 175.4 | 0 | 112.4 | ||||
| 10 | A | 42.3 | Very low | 51.5 | Low | 80 Ų | 80 | 147.8 Ų | 147.8 | 66% | 0.661 | 84% | 0.841 | S | S | * | * | trans | 63 | 106.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | K12 | A10-K12 PolarHBondContact O-N 3.16Š| ||
| 11 | A | 45.4 | Very low | 51.9 | Low | 106 Ų | 106 | 150.8 Ų | 150.8 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | trans | -41.7 | 111.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 12 | K | 47.4 | Very low | 52.4 | Low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | -107.1 | 99.1 | 166 | -89.4 | -174.1 | 176.4 | 179.5 | 0 | 110 | A10 | A10-K12 PolarHBondContact O-N 3.16Š| ||
| 13 | K | 39.8 | Very low | 52.3 | Low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | 27.3 | 109.5 | 145.1 | -87.4 | 174.4 | 172.5 | 171.9 | 0 | 116.6 | S15 | K13-S15 PolarHBondContact O-N 2.8Å; K13-S15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | A | 48.4 | Very low | 51.9 | Low | 103 Ų | 103 | 145.7 Ų | 145.7 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -39.2 | 113.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K16 | A14-K16 PolarHBondContact O-N 3.4Š| ||
| 15 | S | 51.1 | Low | 51.9 | Low | 111 Ų | 111 | 143.7 Ų | 143.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -57.2 | 117.1 | 172.4 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | K13 V17 | K13-S15 PolarHBondContact O-N 2.8Å; K13-S15 VanDerWaalsContact O-N 3.13Å; S15-V17 PolarHBondContact O-N 3.42Å | ||
| 16 | K | 48.4 | Very low | 52 | Low | 203 Ų | 203 | 145.1 Ų | 145.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -49.4 | 105 | 168 | -89.4 | 177.5 | 171.4 | 176.2 | 0 | 109.1 | A14 K18 | A14-K16 PolarHBondContact O-N 3.4Å; K16-K18 PolarHBondContact O-N 2.57Å | ||
| 17 | V | 57.1 | Low | 52.3 | Low | 128 Ų | 128 | 147 Ų | 147 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -62.8 | 105.9 | 165.8 | -179.6 | 0 | 0 | 0 | 0 | 106.5 | S15 L19 | S15-V17 PolarHBondContact O-N 3.42Å; V17-L19 PolarHBondContact O-N 2.69Å; V17-L19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | K | 51.5 | Low | 53 | Low | 197 Ų | 197 | 152.8 Ų | 152.8 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 106 | 171.9 | -73.6 | -179.4 | 177.8 | 177.8 | 0 | 107 | K16 | K16-K18 PolarHBondContact O-N 2.57Š| ||
| 19 | L | 61.3 | Low | 53.7 | Low | 146 Ų | 146 | 160.3 Ų | 160.3 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -54.4 | 134 | 166.7 | -92.9 | 80.9 | 0 | 0 | 0 | 108.3 | V17 K21 | V17-L19 PolarHBondContact O-N 2.69Å; V17-L19 VanDerWaalsContact O-N 3.07Å; L19-K21 PolarHBondContact O-N 3.04Å; L19-K21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | P | 59.3 | Low | 55.2 | Low | 110 Ų | 110 | 160.4 Ų | 160.4 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -60.5 | 124.6 | 174.2 | 25.5 | -30.7 | 0 | 0 | 0 | 107.7 | I22 | P20-I22 VanDerWaalsContact C-N 3.32Å; P20-I22 PolarHBondContact O-N 3.1Å | ||
| 21 | K | 58.3 | Low | 56.9 | Low | 210 Ų | 210 | 165.5 Ų | 165.5 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -59.8 | 101.1 | 168.8 | -74.8 | -178.2 | 176.1 | 179.4 | 0 | 106.5 | L19 D23 | L19-K21 PolarHBondContact O-N 3.04Å; L19-K21 VanDerWaalsContact O-N 3.17Å; K21-D23 PolarHBondContact O-N 3.14Å | ||
| 22 | I | 60.7 | Low | 58.6 | Low | 119 Ų | 119 | 169.7 Ų | 169.7 | 61% | 0.61 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 110.8 | 172.7 | -68.1 | 171.1 | 0 | 0 | 0 | 105.8 | P20 Q24 | P20-I22 VanDerWaalsContact C-N 3.32Å; P20-I22 PolarHBondContact O-N 3.1Å; I22-Q24 WeakPolarHBondContact O-CG 3.43Å; I22-Q24 PolarHBondContact O-N 3.35Å | ||
| 23 | D | 60.1 | Low | 60.7 | Low | 91 Ų | 91 | 162.1 Ų | 162.1 | 49% | 0.487 | 78% | 0.775 | S | S | . | * | trans | -57 | 97.3 | 174.9 | -170.7 | -10.2 | 0 | 0 | 0 | 108.6 | K21 N25 K26 | K21-D23 PolarHBondContact O-N 3.14Å; D23-N25 PolarHBondContact O-N 3.32Å; D23-N25 VanDerWaalsContact O-N 3.08Å; D23-N25 WeakPolarHBondContact OD1-CB 3.48Å; D23-N25 PolarHBondContact OD1-N 3Å; D23-K26 PolarHBondContact O-N 3.12Å | ||
| 24 | Q | 59.3 | Low | 63.3 | Low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -7.8 | -175.7 | -65.8 | -164.8 | -3.8 | 0 | 0 | 112.1 | I22 | I22-Q24 WeakPolarHBondContact O-CG 3.43Å; I22-Q24 PolarHBondContact O-N 3.35Å |
| 25 | N | 56.2 | Low | 65.4 | Low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -6.8 | 179.7 | -74.1 | -33.9 | 0 | 0 | 0 | 114.7 | D23 | D23-N25 PolarHBondContact O-N 3.32Å; D23-N25 VanDerWaalsContact O-N 3.08Å; D23-N25 WeakPolarHBondContact OD1-CB 3.48Å; D23-N25 PolarHBondContact OD1-N 3Å |
| 26 | K | 55.7 | Low | 67.5 | Low | 177 Ų | 177 | 150.1 Ų | 150.1 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -101.1 | -15.2 | -178.9 | -83.5 | -179.8 | 178.7 | 173.6 | 0 | 116 | D23 R28 | D23-K26 PolarHBondContact O-N 3.12Å; K26-R28 PolarHBondContact O-N 2.94Å; K26-R28 VanDerWaalsContact O-N 3.12Å |
| 27 | K | 59.8 | Low | 69.8 | Low | 166 Ų | 166 | 147.5 Ų | 147.5 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | trans | -88.4 | 80 | 176.1 | -72.3 | -176.2 | 179.9 | 179.3 | 0 | 109.2 | R29 | K27-R29 PolarHBondContact O-N 3.28Š| ||
| 28 | R | 63.6 | Low | 71.6 | Confident | 242 Ų | 242 | 142.2 Ų | 142.2 | 91% | 0.913 | 65% | 0.648 | S | S | * | * | trans | -42 | 115.9 | 162.3 | -102.8 | -179.3 | 169.9 | 176.9 | -1.9 | 107.1 | K26 R30 | K26-R28 PolarHBondContact O-N 2.94Å; K26-R28 VanDerWaalsContact O-N 3.12Å; R28-R30 PolarHBondContact O-N 3.37Å | ||
| 29 | R | 65 | Low | 73.7 | Confident | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.906 | 63% | 0.629 | S | S | * | * | trans | -44.3 | 117.6 | 178.2 | -80.8 | -173.8 | 174.5 | -167.2 | -0.9 | 107.5 | K27 K31 | K27-R29 PolarHBondContact O-N 3.28Å; R29-K31 PolarHBondContact O-N 3.17Å | ||
| 30 | R | 69.1 | Low | 75.4 | Confident | 205 Ų | 205 | 137.5 Ų | 137.5 | 77% | 0.774 | 62% | 0.618 | S | S | * | * | trans | -59.3 | 112.1 | -178 | -179.4 | -179.4 | 174.4 | -173 | -3.7 | 106.7 | R28 E32 | R28-R30 PolarHBondContact O-N 3.37Å; R30-E32 PolarHBondContact O-N 3.39Å | ||
| 31 | K | 76.8 | Confident | 77.3 | Confident | 187 Ų | 187 | 136 Ų | 136 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | trans | -66.9 | 121.5 | 170.7 | -69.6 | -172.9 | 177.5 | -174.7 | 0 | 107 | R29 S33 | R29-K31 PolarHBondContact O-N 3.17Å; K31-S33 PolarHBondContact O-N 2.93Å | ||
| 32 | E | 81 | Confident | 79.1 | Confident | 194 Ų | 194 | 127.5 Ų | 127.5 | 91% | 0.907 | 57% | 0.572 | S | S | * | * | trans | -62.1 | 125.3 | 170.4 | -66.7 | -175.6 | 156 | 0 | 0 | 108.3 | R30 | R30-E32 PolarHBondContact O-N 3.39Š| ||
| 33 | S | 92.4 | Very high | 80.9 | Confident | 48 Ų | 48 | 125.3 Ų | 125.3 | 34% | 0.336 | 56% | 0.556 | S | S | . | * | trans | -157.8 | 146 | -175.9 | 173.5 | 0 | 0 | 0 | 0 | 110 | K31 A35 N60 | K31-S33 PolarHBondContact O-N 2.93Å; S33-A35 PolarHBondContact O-N 2.97Å; S33-A35 VanDerWaalsContact OG-CB 3.23Å; S33-A35 WeakPolarHBondContact OG-CB 3.48Å; S33-A35 PolarHBondContact OG-N 2.97Å; S33-A35 VanDerWaalsContact OG-N 3.11Å; S33-N60 WeakPolarHBondContact CA-OD1 3.44Å; S33-N60 PolarHBondContact OG-OD1 2.84Å | ||
| 34 | Y | 95.2 | Very high | 82.7 | Confident | 65 Ų | 65 | 128.3 Ų | 128.3 | 26% | 0.255 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | 2 | 173.5 | -58.8 | -79.2 | 0 | 0 | 0 | 113.2 | I36 Y37 I38 N60 V63 N64 | Y34-I36 PolarHBondContact O-N 3.07Å; Y34-Y37 HydrophobicContact CD1-CD2 4.17Å; Y34-Y37 PolarHBondContact O-N 3.39Å; Y34-I38 WeakPolarHBondContact O-CG1 3.45Å; Y34-I38 PolarHBondContact O-N 3.17Å; Y34-N60 PolarHBondContact N-OD1 3.34Å; Y34-V63 HydrophobicContact CD1-CG1 3.65Å; Y34-V63 HydrophobicContact CD2-CB 3.81Å; Y34-V63 HydrophobicContact CD2-CG1 3.52Å; Y34-V63 HydrophobicContact CE1-CG1 3.74Å; Y34-V63 HydrophobicContact CE2-CB 4.22Å; Y34-V63 HydrophobicContact CE2-CG1 3.62Å; Y34-V63 HydrophobicContact CG-CB 4.01Å; Y34-V63 HydrophobicContact CG-CG1 3.53Å; Y34-N64 WeakPolarHBondContact CE2-OD1 3.44Å |
| 35 | A | 92.8 | Very high | 84.5 | Confident | 20 Ų | 20 | 124.3 Ų | 124.3 | 17% | 0.165 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -48.7 | -33.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | S33 Y39 K56 | S33-A35 PolarHBondContact O-N 2.97Å; S33-A35 VanDerWaalsContact OG-CB 3.23Å; S33-A35 WeakPolarHBondContact OG-CB 3.48Å; S33-A35 PolarHBondContact OG-N 2.97Å; S33-A35 VanDerWaalsContact OG-N 3.11Å; A35-Y39 PolarHBondContact O-N 2.98Å; A35-K56 HydrophobicContact CB-CD 4.07Å; A35-K56 HydrophobicContact CB-CG 4.37Å; A35-K56 WeakPolarHBondContact O-CE 3.4Å; A35-K56 PolarHBondContact O-NZ 3.23Å |
| 36 | I | 93.9 | Very high | 86.5 | Confident | 74 Ų | 74 | 121.7 Ų | 121.7 | 38% | 0.379 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 178.3 | -65 | 172.5 | 0 | 0 | 0 | 110.2 | Y34 Y39 K40 | Y34-I36 PolarHBondContact O-N 3.07Å; I36-Y39 PolarHBondContact O-N 3.43Å; I36-K40 HydrophobicContact CG2-CD 4.21Å; I36-K40 HydrophobicContact CG2-CG 4.46Å; I36-K40 WeakPolarHBondContact O-CG 3.23Å; I36-K40 PolarHBondContact O-N 3.41Å |
| 37 | Y | 96.3 | Very high | 88.5 | Confident | 147 Ų | 147 | 117 Ų | 117 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.3 | -40.2 | -177.9 | -53.2 | -67.5 | 0 | 0 | 0 | 111.6 | Y34 Y39 K40 V41 | Y34-Y37 HydrophobicContact CD1-CD2 4.17Å; Y34-Y37 PolarHBondContact O-N 3.39Å; Y37-Y39 PolarHBondContact O-N 3.27Å; Y37-K40 PolarHBondContact O-N 2.97Å; Y37-K40 VanDerWaalsContact O-N 3.15Å; Y37-V41 WeakPolarHBondContact O-CG2 3.32Å; Y37-V41 PolarHBondContact O-N 3.42Å |
| 38 | I | 96 | Very high | 90.3 | Very high | 18 Ų | 18 | 116.7 Ų | 116.7 | 9% | 0.092 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -53.7 | -43.3 | 172.7 | -67.2 | 163.3 | 0 | 0 | 0 | 110.3 | Y34 L42 I51 K56 M59 N60 | Y34-I38 WeakPolarHBondContact O-CG1 3.45Å; Y34-I38 PolarHBondContact O-N 3.17Å; I38-L42 VanDerWaalsContact O-CB 3.23Å; I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 PolarHBondContact O-N 3Å; I38-I51 HydrophobicContact CG2-CD1 4.3Å; I38-K56 HydrophobicContact CG2-CG 4.31Å; I38-M59 HydrophobicContact CD1-CB 3.62Å; I38-M59 HydrophobicContact CG1-CB 4.14Å; I38-M59 HydrophobicContact CG2-CB 4.41Å; I38-M59 HydrophobicContact CG2-CE 3.36Å; I38-M59 HydrophobicContact CG2-SD 3.9Å; I38-N60 HydrophobicContact CD1-CB 4.28Å |
| 39 | Y | 95.9 | Very high | 91.9 | Very high | 120 Ų | 120 | 108.7 Ų | 108.7 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.8 | -44.9 | 177.3 | -178.6 | -98.8 | 0 | 0 | 0 | 112.8 | A35 I36 Y37 L42 R43 | A35-Y39 PolarHBondContact O-N 2.98Å; I36-Y39 PolarHBondContact O-N 3.43Å; Y37-Y39 PolarHBondContact O-N 3.27Å; Y39-L42 PolarHBondContact O-N 3.01Å; Y39-R43 HydrophobicContact CD1-CG 4.32Å; Y39-R43 HydrophobicContact CE1-CG 3.81Å; Y39-R43 HydrophobicContact CE2-CG 4.14Å; Y39-R43 PolarHBondContact O-N 3.15Å |
| 40 | K | 97.1 | Very high | 93.3 | Very high | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.8 | -50 | 179.8 | -77.7 | -176.1 | 173.3 | -170.1 | 0 | 111.8 | I36 Y37 R43 Q44 | I36-K40 HydrophobicContact CG2-CD 4.21Å; I36-K40 HydrophobicContact CG2-CG 4.46Å; I36-K40 WeakPolarHBondContact O-CG 3.23Å; I36-K40 PolarHBondContact O-N 3.41Å; Y37-K40 PolarHBondContact O-N 2.97Å; Y37-K40 VanDerWaalsContact O-N 3.15Å; K40-R43 PolarHBondContact O-N 3.26Å; K40-Q44 WeakPolarHBondContact O-CG 3.41Å; K40-Q44 PolarHBondContact O-N 3.31Å; K40-Q44 VanDerWaalsContact O-N 3.14Å |
| 41 | V | 97.8 | Very high | 94.7 | Very high | 80 Ų | 80 | 92.8 Ų | 92.8 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | Y37 R43 Q44 V45 | Y37-V41 WeakPolarHBondContact O-CG2 3.32Å; Y37-V41 PolarHBondContact O-N 3.42Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 3.24Å; V41-Q44 WeakPolarHBondContact O-CB 3.37Å; V41-Q44 PolarHBondContact O-N 2.91Å; V41-Q44 VanDerWaalsContact O-N 3.1Å; V41-V45 HydrophobicContact CG1-CG2 4.3Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.27Å |
| 42 | L | 97.6 | Very high | 95.7 | Very high | 31 Ų | 31 | 87.2 Ų | 87.2 | 16% | 0.162 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 176.3 | 179.5 | 64.9 | 0 | 0 | 0 | 112 | I38 Y39 Q44 V45 H46 I51 | I38-L42 VanDerWaalsContact O-CB 3.23Å; I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 PolarHBondContact O-N 3Å; Y39-L42 PolarHBondContact O-N 3.01Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 3.01Å; L42-V45 PolarHBondContact O-N 2.89Å; L42-H46 HydrophobicContact CD1-CB 4.23Å; L42-H46 CarbonylContact O-C 3.34Å; L42-H46 WeakPolarHBondContact O-CA 3.42Å; L42-H46 PolarHBondContact O-N 3.22Å; L42-I51 HydrophobicContact CD2-CB 3.61Å; L42-I51 HydrophobicContact CD2-CG2 3.53Å |
| 43 | R | 96.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 83.1 Ų | 83.1 | 28% | 0.275 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.7 | -29.5 | 177.4 | -73.8 | -53.3 | 101 | 165.6 | 20.1 | 113.4 | Y39 K40 V41 P47 T49 | Y39-R43 HydrophobicContact CD1-CG 4.32Å; Y39-R43 HydrophobicContact CE1-CG 3.81Å; Y39-R43 HydrophobicContact CE2-CG 4.14Å; Y39-R43 PolarHBondContact O-N 3.15Å; K40-R43 PolarHBondContact O-N 3.26Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 3.24Å; R43-P47 PolarHBondContact NH1-O 3.28Å; R43-T49 PolarHBondContact NH2-O 3.03Å |
| 44 | Q | 97.8 | Very high | 96.6 | Very high | 154 Ų | 154 | 88.3 Ų | 88.3 | 72% | 0.72 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.6 | -38.2 | 177.2 | -73.4 | 174.3 | -34.7 | 0 | 0 | 112.1 | K40 V41 L42 | K40-Q44 WeakPolarHBondContact O-CG 3.41Å; K40-Q44 PolarHBondContact O-N 3.31Å; K40-Q44 VanDerWaalsContact O-N 3.14Å; V41-Q44 WeakPolarHBondContact O-CB 3.37Å; V41-Q44 PolarHBondContact O-N 2.91Å; V41-Q44 VanDerWaalsContact O-N 3.1Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 3.01Å |
| 45 | V | 98.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 86.8 Ų | 86.8 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -92.8 | -37.4 | -175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | V41 L42 | V41-V45 HydrophobicContact CG1-CG2 4.3Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.27Å; L42-V45 PolarHBondContact O-N 2.89Å |
| 46 | H | 97.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 89 Ų | 89 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | trans | -136 | 82.3 | -178.8 | -59.9 | -60.3 | 0 | 0 | 0 | 111.3 | L42 D48 T49 | L42-H46 HydrophobicContact CD1-CB 4.23Å; L42-H46 CarbonylContact O-C 3.34Å; L42-H46 WeakPolarHBondContact O-CA 3.42Å; L42-H46 PolarHBondContact O-N 3.22Å; H46-D48 PolarHBondContact O-N 3.23Å; H46-D48 VanDerWaalsContact O-N 3.16Å; H46-T49 PolarHBondContact O-N 3.32Å | ||
| 47 | P | 97.5 | Very high | 96.9 | Very high | 80 Ų | 80 | 88.9 Ų | 88.9 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.2 | -177.4 | -25.9 | 35.1 | 0 | 0 | 0 | 114.2 | R43 | R43-P47 PolarHBondContact NH1-O 3.28Š|
| 48 | D | 97.5 | Very high | 96.9 | Very high | 158 Ų | 158 | 85.6 Ų | 85.6 | 85% | 0.845 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -5.8 | -173.4 | -52.9 | -47.9 | 0 | 0 | 0 | 114 | H46 | H46-D48 PolarHBondContact O-N 3.23Å; H46-D48 VanDerWaalsContact O-N 3.16Å |
| 49 | T | 96.9 | Very high | 97 | Very high | 75 Ų | 75 | 88 Ų | 88 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | trans | -101.6 | 116.3 | -173.7 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | R43 H46 | R43-T49 PolarHBondContact NH2-O 3.03Å; H46-T49 PolarHBondContact O-N 3.32Å | ||
| 50 | G | 96.1 | Very high | 97 | Very high | 58 Ų | 58 | 83.7 Ų | 83.7 | 60% | 0.598 | 47% | 0.465 | S | S | * | . | trans | -72.2 | 169.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 51 | I | 97.2 | Very high | 97 | Very high | 53 Ų | 53 | 81 Ų | 81 | 27% | 0.272 | 46% | 0.462 | S | S | . | . | trans | -135.6 | 135.5 | 171.1 | -174.4 | 169.2 | 0 | 0 | 0 | 112.2 | I38 L42 A55 M59 | I38-I51 HydrophobicContact CG2-CD1 4.3Å; L42-I51 HydrophobicContact CD2-CB 3.61Å; L42-I51 HydrophobicContact CD2-CG2 3.53Å; I51-A55 HydrophobicContact CD1-CB 3.85Å; I51-A55 HydrophobicContact CG1-CB 3.65Å; I51-M59 HydrophobicContact CD1-CE 2.84Å; I51-M59 HydrophobicContact CG1-CE 4.32Å | ||
| 52 | S | 97.2 | Very high | 97 | Very high | 69 Ų | 69 | 83.5 Ų | 83.5 | 48% | 0.483 | 47% | 0.467 | S | S | . | . | trans | -70.7 | 155.6 | 176.8 | 74.2 | 0 | 0 | 0 | 0 | 112.7 | K54 A55 K56 | S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 3.4Å; S52-A55 PolarHBondContact O-N 3.26Å; S52-A55 VanDerWaalsContact OG-CB 3.32Å; S52-A55 WeakPolarHBondContact OG-CB 3.43Å; S52-A55 PolarHBondContact OG-N 3.4Å; S52-A55 VanDerWaalsContact OG-N 3.12Å; S52-K56 WeakPolarHBondContact O-CB 3.47Å; S52-K56 PolarHBondContact O-N 3.12Å | ||
| 53 | S | 95.4 | Very high | 97 | Very high | 108 Ų | 108 | 84.8 Ų | 84.8 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.2 | -38.7 | 174.9 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | K56 S57 | S53-K56 PolarHBondContact O-N 2.87Å; S53-S57 PolarHBondContact O-N 2.77Å |
| 54 | K | 97 | Very high | 96.9 | Very high | 157 Ų | 157 | 84 Ų | 84 | 68% | 0.683 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.9 | -49.8 | 175.7 | -173.6 | 175.6 | -179.2 | 179.2 | 0 | 111.2 | S52 K56 S57 I58 | S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 3.4Å; K54-K56 VanDerWaalsContact C-N 3.33Å; K54-K56 PolarHBondContact O-N 2.94Å; K54-S57 WeakPolarHBondContact O-CB 3.42Å; K54-S57 PolarHBondContact O-N 3.11Å; K54-I58 HydrophobicContact CG-CD1 4.17Å; K54-I58 WeakPolarHBondContact O-CG1 3.48Å; K54-I58 PolarHBondContact O-N 3.06Å |
| 55 | A | 97.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 81 Ų | 81 | 27% | 0.273 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I51 S52 S57 I58 M59 | I51-A55 HydrophobicContact CD1-CB 3.85Å; I51-A55 HydrophobicContact CG1-CB 3.65Å; S52-A55 PolarHBondContact O-N 3.26Å; S52-A55 VanDerWaalsContact OG-CB 3.32Å; S52-A55 WeakPolarHBondContact OG-CB 3.43Å; S52-A55 PolarHBondContact OG-N 3.4Å; S52-A55 VanDerWaalsContact OG-N 3.12Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 3.15Å; A55-I58 PolarHBondContact O-N 3.2Å; A55-M59 PolarHBondContact O-N 3.43Å |
| 56 | K | 95.5 | Very high | 96.9 | Very high | 66 Ų | 66 | 80.6 Ų | 80.6 | 29% | 0.287 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 173.9 | -163.3 | -179.9 | -156.8 | -175.2 | 0 | 112.5 | A35 I38 S52 S53 K54 N60 | A35-K56 HydrophobicContact CB-CD 4.07Å; A35-K56 HydrophobicContact CB-CG 4.37Å; A35-K56 WeakPolarHBondContact O-CE 3.4Å; A35-K56 PolarHBondContact O-NZ 3.23Å; I38-K56 HydrophobicContact CG2-CG 4.31Å; S52-K56 WeakPolarHBondContact O-CB 3.47Å; S52-K56 PolarHBondContact O-N 3.12Å; S53-K56 PolarHBondContact O-N 2.87Å; K54-K56 VanDerWaalsContact C-N 3.33Å; K54-K56 PolarHBondContact O-N 2.94Å; K56-N60 WeakPolarHBondContact O-CB 2.92Å; K56-N60 PolarHBondContact O-N 2.74Å |
| 57 | S | 95.7 | Very high | 96.9 | Very high | 73 Ų | 73 | 81.3 Ų | 81.3 | 51% | 0.51 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 112.2 | S53 K54 A55 N60 S61 | S53-S57 PolarHBondContact O-N 2.77Å; K54-S57 WeakPolarHBondContact O-CB 3.42Å; K54-S57 PolarHBondContact O-N 3.11Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 3.15Å; S57-N60 WeakPolarHBondContact O-CB 3.46Å; S57-N60 PolarHBondContact O-N 2.97Å; S57-S61 PolarHBondContact O-N 2.95Å; S57-S61 PolarHBondContact O-OG 3.48Å |
| 58 | I | 97.3 | Very high | 96.9 | Very high | 77 Ų | 77 | 84.5 Ų | 84.5 | 40% | 0.395 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 176.8 | -68.7 | 166.2 | 0 | 0 | 0 | 110 | K54 A55 N60 S61 F62 | K54-I58 HydrophobicContact CG-CD1 4.17Å; K54-I58 WeakPolarHBondContact O-CG1 3.48Å; K54-I58 PolarHBondContact O-N 3.06Å; A55-I58 PolarHBondContact O-N 3.2Å; I58-N60 VanDerWaalsContact C-N 3.32Å; I58-N60 PolarHBondContact O-N 3.13Å; I58-S61 WeakPolarHBondContact O-CB 3.37Å; I58-S61 PolarHBondContact O-N 3.25Å; I58-F62 HydrophobicContact CG2-CD2 4.25Å; I58-F62 HydrophobicContact CG2-CE1 4.04Å; I58-F62 HydrophobicContact CG2-CE2 3.69Å; I58-F62 HydrophobicContact CG2-CZ 3.58Å; I58-F62 PolarHBondContact O-N 3.44Å |
| 59 | M | 97.5 | Very high | 96.9 | Very high | 70 Ų | 70 | 85 Ų | 85 | 35% | 0.345 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 176.3 | -80.9 | -159.5 | -88.3 | 0 | 0 | 113.1 | I38 I51 A55 S61 F62 V63 | I38-M59 HydrophobicContact CD1-CB 3.62Å; I38-M59 HydrophobicContact CG1-CB 4.14Å; I38-M59 HydrophobicContact CG2-CB 4.41Å; I38-M59 HydrophobicContact CG2-CE 3.36Å; I38-M59 HydrophobicContact CG2-SD 3.9Å; I51-M59 HydrophobicContact CD1-CE 2.84Å; I51-M59 HydrophobicContact CG1-CE 4.32Å; A55-M59 PolarHBondContact O-N 3.43Å; M59-S61 VanDerWaalsContact C-N 3.27Å; M59-S61 PolarHBondContact O-N 3.06Å; M59-F62 PolarHBondContact O-N 3.16Å; M59-V63 WeakPolarHBondContact O-CG2 3.19Å; M59-V63 PolarHBondContact O-N 2.85Å |
| 60 | N | 95.9 | Very high | 97 | Very high | 28 Ų | 28 | 86.5 Ų | 86.5 | 15% | 0.15 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 173.6 | -178.1 | 85.7 | 0 | 0 | 0 | 111.5 | S33 Y34 I38 K56 S57 I58 N64 | S33-N60 WeakPolarHBondContact CA-OD1 3.44Å; S33-N60 PolarHBondContact OG-OD1 2.84Å; Y34-N60 PolarHBondContact N-OD1 3.34Å; I38-N60 HydrophobicContact CD1-CB 4.28Å; K56-N60 WeakPolarHBondContact O-CB 2.92Å; K56-N60 PolarHBondContact O-N 2.74Å; S57-N60 WeakPolarHBondContact O-CB 3.46Å; S57-N60 PolarHBondContact O-N 2.97Å; I58-N60 VanDerWaalsContact C-N 3.32Å; I58-N60 PolarHBondContact O-N 3.13Å; N60-N64 PolarHBondContact ND2-ND2 3.44Å; N60-N64 PolarHBondContact O-N 3.37Å; N60-N64 VanDerWaalsContact O-N 3.15Å; N60-N64 PolarHBondContact O-ND2 3.24Å |
| 61 | S | 96.7 | Very high | 97.1 | Very high | 67 Ų | 67 | 85.9 Ų | 85.9 | 47% | 0.469 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | S57 I58 M59 N64 D65 | S57-S61 PolarHBondContact O-N 2.95Å; S57-S61 PolarHBondContact O-OG 3.48Å; I58-S61 WeakPolarHBondContact O-CB 3.37Å; I58-S61 PolarHBondContact O-N 3.25Å; M59-S61 VanDerWaalsContact C-N 3.27Å; M59-S61 PolarHBondContact O-N 3.06Å; S61-N64 PolarHBondContact O-N 3.45Å; S61-D65 PolarHBondContact O-N 3.46Å |
| 62 | F | 97.6 | Very high | 97.1 | Very high | 133 Ų | 133 | 85.7 Ų | 85.7 | 58% | 0.583 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.2 | -68.2 | -17.4 | 0 | 0 | 0 | 112.5 | I58 M59 N64 D65 I66 | I58-F62 HydrophobicContact CG2-CD2 4.25Å; I58-F62 HydrophobicContact CG2-CE1 4.04Å; I58-F62 HydrophobicContact CG2-CE2 3.69Å; I58-F62 HydrophobicContact CG2-CZ 3.58Å; I58-F62 PolarHBondContact O-N 3.44Å; M59-F62 PolarHBondContact O-N 3.16Å; F62-N64 VanDerWaalsContact C-N 3.29Å; F62-N64 PolarHBondContact O-N 2.96Å; F62-D65 PolarHBondContact O-N 3.31Å; F62-I66 WeakPolarHBondContact O-CG1 3.31Å; F62-I66 PolarHBondContact O-N 2.9Å; F62-I66 VanDerWaalsContact O-N 3.12Å |
| 63 | V | 97.2 | Very high | 97.1 | Very high | 58 Ų | 58 | 86.4 Ų | 86.4 | 35% | 0.352 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | Y34 M59 F67 | Y34-V63 HydrophobicContact CD1-CG1 3.65Å; Y34-V63 HydrophobicContact CD2-CB 3.81Å; Y34-V63 HydrophobicContact CD2-CG1 3.52Å; Y34-V63 HydrophobicContact CE1-CG1 3.74Å; Y34-V63 HydrophobicContact CE2-CB 4.22Å; Y34-V63 HydrophobicContact CE2-CG1 3.62Å; Y34-V63 HydrophobicContact CG-CB 4.01Å; Y34-V63 HydrophobicContact CG-CG1 3.53Å; M59-V63 WeakPolarHBondContact O-CG2 3.19Å; M59-V63 PolarHBondContact O-N 2.85Å; V63-F67 WeakPolarHBondContact O-CB 3.23Å; V63-F67 PolarHBondContact O-N 2.94Å |
| 64 | N | 96.6 | Very high | 97.2 | Very high | 55 Ų | 55 | 83.8 Ų | 83.8 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 177.3 | -80.3 | -63.1 | 0 | 0 | 0 | 113.2 | Y34 N60 S61 F62 F67 K68 | Y34-N64 WeakPolarHBondContact CE2-OD1 3.44Å; N60-N64 PolarHBondContact ND2-ND2 3.44Å; N60-N64 PolarHBondContact O-N 3.37Å; N60-N64 VanDerWaalsContact O-N 3.15Å; N60-N64 PolarHBondContact O-ND2 3.24Å; S61-N64 PolarHBondContact O-N 3.45Å; F62-N64 VanDerWaalsContact C-N 3.29Å; F62-N64 PolarHBondContact O-N 2.96Å; N64-F67 PolarHBondContact O-N 3.1Å; N64-K68 VanDerWaalsContact O-CG 3.31Å; N64-K68 WeakPolarHBondContact O-CG 3.33Å; N64-K68 PolarHBondContact O-N 3.02Å |
| 65 | D | 97.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 78.9 Ų | 78.9 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 177.6 | -177.5 | 55.3 | 0 | 0 | 0 | 111.2 | S61 F62 F67 K68 R69 | S61-D65 PolarHBondContact O-N 3.46Å; F62-D65 PolarHBondContact O-N 3.31Å; D65-F67 VanDerWaalsContact C-N 3.35Å; D65-F67 PolarHBondContact O-N 3.29Å; D65-K68 PolarHBondContact O-N 2.97Å; D65-R69 WeakPolarHBondContact O-CG 3.49Å; D65-R69 PolarHBondContact O-N 3.12Å; D65-R69 VanDerWaalsContact O-N 3.13Å |
| 66 | I | 97.8 | Very high | 97.2 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 43% | 0.426 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.6 | -60.7 | -56.7 | 0 | 0 | 0 | 111.2 | F62 K68 R69 I70 | F62-I66 WeakPolarHBondContact O-CG1 3.31Å; F62-I66 PolarHBondContact O-N 2.9Å; F62-I66 VanDerWaalsContact O-N 3.12Å; I66-K68 VanDerWaalsContact C-N 3.31Å; I66-K68 PolarHBondContact O-N 2.94Å; I66-R69 PolarHBondContact O-N 3.36Å; I66-R69 VanDerWaalsContact O-N 3.16Å; I66-I70 HydrophobicContact CG2-CD1 3.79Å; I66-I70 HydrophobicContact CG2-CG1 4.34Å; I66-I70 WeakPolarHBondContact O-CG1 3.5Å; I66-I70 PolarHBondContact O-N 3Å |
| 67 | F | 97.7 | Very high | 97.2 | Very high | 116 Ų | 116 | 85.7 Ų | 85.7 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 177 | -177.6 | -93 | 0 | 0 | 0 | 111.9 | V63 N64 D65 R69 I70 A71 | V63-F67 WeakPolarHBondContact O-CB 3.23Å; V63-F67 PolarHBondContact O-N 2.94Å; N64-F67 PolarHBondContact O-N 3.1Å; D65-F67 VanDerWaalsContact C-N 3.35Å; D65-F67 PolarHBondContact O-N 3.29Å; F67-R69 PolarHBondContact O-N 2.95Å; F67-I70 PolarHBondContact O-N 2.97Å; F67-A71 WeakPolarHBondContact O-CB 3.36Å; F67-A71 PolarHBondContact O-N 2.69Å |
| 68 | K | 97.2 | Very high | 97.3 | Very high | 147 Ų | 147 | 85.8 Ų | 85.8 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.4 | -41.3 | 176 | -76 | 174.4 | -179.1 | -177.1 | 0 | 112.2 | N64 D65 I66 A71 A72 | N64-K68 VanDerWaalsContact O-CG 3.31Å; N64-K68 WeakPolarHBondContact O-CG 3.33Å; N64-K68 PolarHBondContact O-N 3.02Å; D65-K68 PolarHBondContact O-N 2.97Å; I66-K68 VanDerWaalsContact C-N 3.31Å; I66-K68 PolarHBondContact O-N 2.94Å; K68-A71 PolarHBondContact O-N 3.1Å; K68-A72 WeakPolarHBondContact O-CB 3.36Å; K68-A72 PolarHBondContact O-N 3.32Å |
| 69 | R | 98 | Very high | 97.1 | Very high | 167 Ų | 167 | 87.6 Ų | 87.6 | 63% | 0.63 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 177 | -65.9 | 175.8 | 72.3 | -168.7 | 1.8 | 111.3 | D65 I66 F67 A72 E73 | D65-R69 WeakPolarHBondContact O-CG 3.49Å; D65-R69 PolarHBondContact O-N 3.12Å; D65-R69 VanDerWaalsContact O-N 3.13Å; I66-R69 PolarHBondContact O-N 3.36Å; I66-R69 VanDerWaalsContact O-N 3.16Å; F67-R69 PolarHBondContact O-N 2.95Å; R69-A72 PolarHBondContact O-N 3.48Å; R69-E73 PolarHBondContact O-N 3.39Å |
| 70 | I | 98.2 | Very high | 97 | Very high | 107 Ų | 107 | 92.9 Ų | 92.9 | 55% | 0.549 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 176.2 | -65.8 | 169.3 | 0 | 0 | 0 | 110.9 | I66 F67 A72 E73 A74 | I66-I70 HydrophobicContact CG2-CD1 3.79Å; I66-I70 HydrophobicContact CG2-CG1 4.34Å; I66-I70 WeakPolarHBondContact O-CG1 3.5Å; I66-I70 PolarHBondContact O-N 3Å; F67-I70 PolarHBondContact O-N 2.97Å; I70-A72 VanDerWaalsContact C-N 3.34Å; I70-A72 PolarHBondContact O-N 2.96Å; I70-E73 PolarHBondContact O-N 3.38Å; I70-A74 WeakPolarHBondContact O-CB 3.31Å; I70-A74 PolarHBondContact O-N 3.35Å |
| 71 | A | 98 | Very high | 96.6 | Very high | 46 Ų | 46 | 98.2 Ų | 98.2 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F67 K68 S75 | F67-A71 WeakPolarHBondContact O-CB 3.36Å; F67-A71 PolarHBondContact O-N 2.69Å; K68-A71 PolarHBondContact O-N 3.1Å; A71-S75 WeakPolarHBondContact O-CB 3.5Å; A71-S75 PolarHBondContact O-N 3.4Å |
| 72 | A | 97.6 | Very high | 95.4 | Very high | 48 Ų | 48 | 106.3 Ų | 106.3 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K68 R69 I70 S75 R76 | K68-A72 WeakPolarHBondContact O-CB 3.36Å; K68-A72 PolarHBondContact O-N 3.32Å; R69-A72 PolarHBondContact O-N 3.48Å; I70-A72 VanDerWaalsContact C-N 3.34Å; I70-A72 PolarHBondContact O-N 2.96Å; A72-S75 WeakPolarHBondContact O-CB 3.4Å; A72-S75 PolarHBondContact O-N 3.09Å; A72-R76 WeakPolarHBondContact O-CG 3.48Å; A72-R76 PolarHBondContact O-N 3.38Å |
| 73 | E | 97.7 | Very high | 95.3 | Very high | 85 Ų | 85 | 105 Ų | 105 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 178.4 | -164 | 57.9 | -152.8 | 0 | 0 | 112 | R69 I70 S75 R76 L77 | R69-E73 PolarHBondContact O-N 3.39Å; I70-E73 PolarHBondContact O-N 3.38Å; E73-S75 PolarHBondContact O-N 3.17Å; E73-R76 WeakPolarHBondContact O-CB 3.4Å; E73-R76 PolarHBondContact O-N 3.1Å; E73-R76 VanDerWaalsContact O-N 3.1Å; E73-R76 IonicContact OE2-CZ 3.93Å; E73-R76 IonicContact OE2-NH1 2.9Å; E73-R76 PolarHBondContact OE2-NH1 3.32Å; E73-L77 WeakPolarHBondContact O-CG 3.44Å; E73-L77 PolarHBondContact O-N 3.22Å |
| 74 | A | 98 | Very high | 95.2 | Very high | 53 Ų | 53 | 107.4 Ų | 107.4 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.4 | -38.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I70 L77 S78 | I70-A74 WeakPolarHBondContact O-CB 3.31Å; I70-A74 PolarHBondContact O-N 3.35Å; A74-L77 PolarHBondContact O-N 2.86Å; A74-S78 PolarHBondContact O-N 3.23Å |
| 75 | S | 96.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 110.3 Ų | 110.3 | 38% | 0.378 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 173.1 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | A71 A72 E73 L77 S78 H79 | A71-S75 WeakPolarHBondContact O-CB 3.5Å; A71-S75 PolarHBondContact O-N 3.4Å; A72-S75 WeakPolarHBondContact O-CB 3.4Å; A72-S75 PolarHBondContact O-N 3.09Å; E73-S75 PolarHBondContact O-N 3.17Å; S75-L77 VanDerWaalsContact C-N 3.33Å; S75-L77 PolarHBondContact O-N 2.99Å; S75-S78 PolarHBondContact O-N 3.17Å; S75-S78 PolarHBondContact O-OG 3.07Å; S75-H79 PolarHBondContact O-N 3.02Å; S75-H79 VanDerWaalsContact O-N 3.1Å; S75-H79 PolarHBondContact O-ND1 2.92Å; S75-H79 PolarHBondContact OG-CE1 3.21Å |
| 76 | R | 96.3 | Very high | 95 | Very high | 138 Ų | 138 | 111.5 Ų | 111.5 | 52% | 0.521 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.5 | -45.9 | 176.6 | -70.7 | 175.4 | -176 | 152.6 | -5.4 | 112.1 | A72 E73 S78 H79 Y80 | A72-R76 WeakPolarHBondContact O-CG 3.48Å; A72-R76 PolarHBondContact O-N 3.38Å; E73-R76 WeakPolarHBondContact O-CB 3.4Å; E73-R76 PolarHBondContact O-N 3.1Å; E73-R76 VanDerWaalsContact O-N 3.1Å; E73-R76 IonicContact OE2-CZ 3.93Å; E73-R76 IonicContact OE2-NH1 2.9Å; E73-R76 PolarHBondContact OE2-NH1 3.32Å; R76-S78 VanDerWaalsContact C-N 3.33Å; R76-S78 PolarHBondContact O-N 2.9Å; R76-H79 WeakPolarHBondContact O-CB 3.48Å; R76-H79 PolarHBondContact O-N 3.19Å; R76-H79 VanDerWaalsContact O-N 3.1Å; R76-Y80 HydrophobicContact CB-CE2 4.24Å; R76-Y80 VanDerWaalsContact O-CD2 3.31Å; R76-Y80 WeakPolarHBondContact O-CD2 3.42Å; R76-Y80 PolarHBondContact O-N 3.08Å; R76-Y80 VanDerWaalsContact O-N 3.09Å |
| 77 | L | 97 | Very high | 94.8 | Very high | 103 Ų | 103 | 113.3 Ų | 113.3 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.9 | -42.1 | 176.9 | -68.8 | 173 | 0 | 0 | 0 | 112.2 | E73 A74 S75 H79 Y80 N81 | E73-L77 WeakPolarHBondContact O-CG 3.44Å; E73-L77 PolarHBondContact O-N 3.22Å; A74-L77 PolarHBondContact O-N 2.86Å; S75-L77 VanDerWaalsContact C-N 3.33Å; S75-L77 PolarHBondContact O-N 2.99Å; L77-H79 VanDerWaalsContact C-N 3.27Å; L77-H79 PolarHBondContact O-N 2.85Å; L77-Y80 PolarHBondContact O-N 3.13Å; L77-N81 PolarHBondContact O-N 3.45Å |
| 78 | S | 96.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 113.1 Ų | 113.1 | 53% | 0.531 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -29.3 | 177.5 | 80 | 0 | 0 | 0 | 0 | 112.8 | A74 S75 R76 | A74-S78 PolarHBondContact O-N 3.23Å; S75-S78 PolarHBondContact O-N 3.17Å; S75-S78 PolarHBondContact O-OG 3.07Å; R76-S78 VanDerWaalsContact C-N 3.33Å; R76-S78 PolarHBondContact O-N 2.9Å |
| 79 | H | 94.5 | Very high | 94.4 | Very high | 115 Ų | 115 | 110.6 Ų | 110.6 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.7 | -32.4 | 174.7 | -71.5 | 87.5 | 0 | 0 | 0 | 112.5 | S75 R76 L77 | S75-H79 PolarHBondContact O-N 3.02Å; S75-H79 VanDerWaalsContact O-N 3.1Å; S75-H79 PolarHBondContact O-ND1 2.92Å; S75-H79 PolarHBondContact OG-CE1 3.21Å; R76-H79 WeakPolarHBondContact O-CB 3.48Å; R76-H79 PolarHBondContact O-N 3.19Å; R76-H79 VanDerWaalsContact O-N 3.1Å; L77-H79 VanDerWaalsContact C-N 3.27Å; L77-H79 PolarHBondContact O-N 2.85Å |
| 80 | Y | 95 | Very high | 94.1 | Very high | 180 Ų | 180 | 106.3 Ų | 106.3 | 71% | 0.706 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.4 | -30.1 | 175.5 | -63.5 | -40.6 | 0 | 0 | 0 | 112.8 | R76 L77 K82 | R76-Y80 HydrophobicContact CB-CE2 4.24Å; R76-Y80 VanDerWaalsContact O-CD2 3.31Å; R76-Y80 WeakPolarHBondContact O-CD2 3.42Å; R76-Y80 PolarHBondContact O-N 3.08Å; R76-Y80 VanDerWaalsContact O-N 3.09Å; L77-Y80 PolarHBondContact O-N 3.13Å; Y80-K82 PolarHBondContact O-N 3.19Å |
| 81 | N | 88.1 | Confident | 93.8 | Very high | 140 Ų | 140 | 106.3 Ų | 106.3 | 75% | 0.749 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 39 | -179 | -165 | 76.2 | 0 | 0 | 0 | 113.4 | L77 | L77-N81 PolarHBondContact O-N 3.45Š|
| 82 | K | 70.2 | Confident | 93.4 | Very high | 237 Ų | 237 | 111.7 Ų | 111.7 | 100% | 1.03 | 57% | 0.565 | S | S | * | * | trans | -77.5 | 0 | 163.3 | -74.3 | -175.7 | 179.7 | 179.7 | 0 | 110.1 | Y80 | Y80-K82 PolarHBondContact O-N 3.19Š|
Retrieved 82 of 82 residues in 16 ms
(Link to these results)