| 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 | 39.8 | Very low | 41.6 | Very low | 250 Ų | 250 | 174.5 Ų | 174.5 | 100% | 1.232 | 87% | 0.865 | S | S | * | * | 0 | 152.9 | 0 | -72.6 | 162.4 | 170.5 | 0 | 0 | 108.3 | |||||
| 2 | Q | 41.6 | Very low | 41.5 | Very low | 183 Ų | 183 | 171 Ų | 171 | 86% | 0.855 | 86% | 0.86 | S | S | * | * | trans | -91.3 | -176.3 | 179.1 | -76 | 169.9 | -64.3 | 0 | 0 | 111.9 | ||||
| 3 | C | 37.1 | Very low | 41.2 | Very low | 124 Ų | 124 | 176 Ų | 176 | 84% | 0.838 | 86% | 0.862 | S | S | * | * | trans | 100.3 | 139.7 | 167.2 | -58.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 4 | C | 42.3 | Very low | 41.5 | Very low | 130 Ų | 130 | 173.3 Ų | 173.3 | 88% | 0.878 | 86% | 0.86 | S | S | * | * | cis | 175.3 | 156.5 | -48.1 | -98.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | G | 36.8 | Very low | 41.6 | Very low | 65 Ų | 65 | 169.5 Ų | 169.5 | 67% | 0.67 | 86% | 0.857 | S | S | * | * | trans | 108.7 | 95 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 6 | L | 45.1 | Very low | 41.7 | Very low | 153 Ų | 153 | 172.9 Ų | 172.9 | 80% | 0.801 | 86% | 0.859 | S | S | * | * | 63.7 | 105.6 | 82 | -80.6 | 81.9 | 0 | 0 | 0 | 114.1 | |||||
| 7 | V | 46.4 | Very low | 41.9 | Very low | 114 Ų | 114 | 167.2 Ų | 167.2 | 69% | 0.691 | 86% | 0.855 | S | S | * | * | 79.6 | 123.9 | 77.6 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 8 | H | 37.4 | Very low | 41.8 | Very low | 181 Ų | 181 | 163.9 Ų | 163.9 | 84% | 0.838 | 85% | 0.849 | S | S | * | * | -157.8 | 154.9 | 95 | -89.6 | 84.3 | 0 | 0 | 0 | 115.2 | |||||
| 9 | R | 45.2 | Very low | 42.1 | Very low | 229 Ų | 229 | 160.6 Ų | 160.6 | 86% | 0.864 | 85% | 0.848 | S | S | * | * | trans | -91.5 | 158.5 | 175.8 | -74.5 | 169.8 | 153.8 | 171.1 | -6.6 | 113.1 | ||||
| 10 | R | 41.3 | Very low | 42.4 | Very low | 255 Ų | 255 | 159.1 Ų | 159.1 | 96% | 0.962 | 84% | 0.841 | S | S | * | * | trans | -134.5 | 162.6 | 136.4 | -72.6 | -163.3 | 178.8 | -177.5 | 1.9 | 110.8 | ||||
| 11 | R | 44.7 | Very low | 43.3 | Very low | 236 Ų | 236 | 156.9 Ų | 156.9 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -149.5 | 116.2 | -161.5 | 175.7 | -167.1 | -174.8 | -171.6 | 3.5 | 111.6 | ||||
| 12 | V | 39.9 | Very low | 43.7 | Very low | 132 Ų | 132 | 155.7 Ų | 155.7 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -155.8 | 138.9 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 13 | R | 38.3 | Very low | 44 | Very low | 236 Ų | 236 | 153 Ų | 153 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | cis | -150.2 | 159.4 | -23.3 | -111 | 179.1 | -171.2 | -175.6 | 3.3 | 105.6 | ||||
| 14 | V | 45.7 | Very low | 44.9 | Very low | 138 Ų | 138 | 152.4 Ų | 152.4 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -85.1 | 141.9 | 164.2 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 15 | S | 42.1 | Very low | 45.6 | Very low | 116 Ų | 116 | 156.4 Ų | 156.4 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -131.7 | 148.5 | 163.4 | -166.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 16 | Y | 43.6 | Very low | 46.4 | Very low | 224 Ų | 224 | 157.8 Ų | 157.8 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -79.5 | 148.6 | -179.4 | -99.4 | -124.4 | 0 | 0 | 0 | 112.1 | ||||
| 17 | G | 45.1 | Very low | 46.8 | Very low | 77 Ų | 77 | 153.8 Ų | 153.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 65.8 | 108.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 18 | S | 40.7 | Very low | 47.4 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | -137.9 | 136.4 | 124.8 | -147.1 | 0 | 0 | 0 | 0 | 107.6 | D20 | S18-D20 WeakPolarHBondContact CB-OD2 3.21Å; S18-D20 PolarHBondContact OG-OD2 3.27Å | |||
| 19 | A | 47.3 | Very low | 48.3 | Very low | 101 Ų | 101 | 150 Ų | 150 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -110.5 | 41.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S21 | A19-S21 VanDerWaalsContact C-N 3.35Å; A19-S21 PolarHBondContact O-N 2.55Å | ||
| 20 | D | 47.1 | Very low | 48.9 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -97.5 | 41.7 | -165.7 | -51.8 | -75.6 | 0 | 0 | 0 | 113.3 | S18 | S18-D20 WeakPolarHBondContact CB-OD2 3.21Å; S18-D20 PolarHBondContact OG-OD2 3.27Å | ||
| 21 | S | 62 | Low | 49.8 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -126.2 | 47.3 | -173.4 | -65.8 | 0 | 0 | 0 | 0 | 113.6 | A19 | A19-S21 VanDerWaalsContact C-N 3.35Å; A19-S21 PolarHBondContact O-N 2.55Å | ||
| 22 | Y | 47.1 | Very low | 50.7 | Low | 224 Ų | 224 | 126.8 Ų | 126.8 | 88% | 0.878 | 72% | 0.719 | S | S | * | * | trans | -152.8 | 66.1 | 159.8 | -136.5 | -89.4 | 0 | 0 | 0 | 115.3 | ||||
| 23 | T | 49.3 | Very low | 51.9 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | trans | -148.5 | 73.4 | 152.2 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | R25 | T23-R25 PolarHBondContact O-N 3.22Š| ||
| 24 | S | 54.7 | Low | 53.2 | Low | 112 Ų | 112 | 117.7 Ų | 117.7 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | -63.1 | 102 | 161.4 | -62.3 | 0 | 0 | 0 | 0 | 107.2 | P26 | S24-P26 VanDerWaalsContact O-N 3.15Š| ||
| 25 | R | 57.4 | Low | 54.4 | Low | 214 Ų | 214 | 117.9 Ų | 117.9 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 122.4 | 168.4 | -72.6 | 175.2 | 62.9 | 178.4 | -1.1 | 107.1 | T23 S27 | T23-R25 PolarHBondContact O-N 3.22Å; R25-S27 PolarHBondContact O-N 2.78Å |
| 26 | P | 54.8 | Low | 56.2 | Low | 95 Ų | 95 | 117.2 Ų | 117.2 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 131.8 | 175.6 | 27.1 | -33.9 | 0 | 0 | 0 | 107.5 | S24 V31 | S24-P26 VanDerWaalsContact O-N 3.15Å; P26-V31 HydrophobicContact CB-CG1 3.93Å; P26-V31 HydrophobicContact CG-CG1 4.09Å |
| 27 | S | 53.6 | Low | 58 | Low | 69 Ų | 69 | 113.7 Ų | 113.7 | 48% | 0.483 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 141.1 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 109.4 | R25 S29 D30 V31 | R25-S27 PolarHBondContact O-N 2.78Å; S27-S29 PolarHBondContact O-N 2.97Å; S27-D30 PolarHBondContact O-N 3.09Å; S27-V31 PolarHBondContact O-N 2.89Å |
| 28 | D | 57.5 | Low | 59.8 | Low | 135 Ų | 135 | 115 Ų | 115 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -51 | -28.2 | 175.2 | -81.4 | -93.8 | 0 | 0 | 0 | 113.1 | V31 S32 | D28-V31 VanDerWaalsContact O-CG2 3.3Å; D28-V31 WeakPolarHBondContact O-CG2 3.33Å; D28-S32 WeakPolarHBondContact O-CB 3.29Å; D28-S32 PolarHBondContact O-N 3.42Å |
| 29 | S | 56.8 | Low | 61.9 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 57% | 0.566 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.1 | -24.4 | 175.3 | 58.9 | 0 | 0 | 0 | 0 | 115.5 | S27 L33 | S27-S29 PolarHBondContact O-N 2.97Å; S29-L33 WeakPolarHBondContact O-CG 3.48Å |
| 30 | D | 58.6 | Low | 63.8 | Low | 104 Ų | 104 | 112.8 Ų | 112.8 | 56% | 0.556 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81.8 | -46.7 | 177.4 | -113.3 | -33.6 | 0 | 0 | 0 | 110 | S27 S32 L33 E34 | S27-D30 PolarHBondContact O-N 3.09Å; D30-S32 VanDerWaalsContact C-N 3.31Å; D30-S32 PolarHBondContact O-N 3Å; D30-L33 PolarHBondContact O-N 3.05Å; D30-L33 VanDerWaalsContact O-N 3.09Å; D30-E34 PolarHBondContact O-N 2.64Å; D30-E34 VanDerWaalsContact O-N 3.11Å |
| 31 | V | 59.1 | Low | 65.6 | Low | 66 Ų | 66 | 113 Ų | 113 | 40% | 0.4 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.5 | -41.4 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | P26 S27 D28 L33 E34 E35 | P26-V31 HydrophobicContact CB-CG1 3.93Å; P26-V31 HydrophobicContact CG-CG1 4.09Å; S27-V31 PolarHBondContact O-N 2.89Å; D28-V31 VanDerWaalsContact O-CG2 3.3Å; D28-V31 WeakPolarHBondContact O-CG2 3.33Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 2.92Å; V31-E34 PolarHBondContact O-N 2.82Å; V31-E35 VanDerWaalsContact O-CB 3.26Å; V31-E35 WeakPolarHBondContact O-CB 3.26Å; V31-E35 PolarHBondContact O-N 3.32Å |
| 32 | S | 64.1 | Low | 66.8 | Low | 62 Ų | 62 | 115.5 Ų | 115.5 | 43% | 0.434 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -29.1 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 113.8 | D28 D30 D36 | D28-S32 WeakPolarHBondContact O-CB 3.29Å; D28-S32 PolarHBondContact O-N 3.42Å; D30-S32 VanDerWaalsContact C-N 3.31Å; D30-S32 PolarHBondContact O-N 3Å; S32-D36 PolarHBondContact O-N 2.65Å; S32-D36 VanDerWaalsContact O-N 3.1Å |
| 33 | L | 64.8 | Low | 68.7 | Low | 98 Ų | 98 | 108.3 Ų | 108.3 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -85 | -29.4 | 179.3 | -71.8 | 174.7 | 0 | 0 | 0 | 112.8 | S29 D30 V31 R37 | S29-L33 WeakPolarHBondContact O-CG 3.48Å; D30-L33 PolarHBondContact O-N 3.05Å; D30-L33 VanDerWaalsContact O-N 3.09Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 2.92Å; L33-R37 WeakPolarHBondContact O-CD 3.46Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.35Å; L33-R37 PolarHBondContact O-N 3.11Å |
| 34 | E | 65.6 | Low | 70.5 | Confident | 79 Ų | 79 | 105 Ų | 105 | 37% | 0.369 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -73.9 | -35.4 | 166 | -83.1 | -56.8 | 124.6 | 0 | 0 | 112.1 | D30 V31 R37 E38 R41 | D30-E34 PolarHBondContact O-N 2.64Å; D30-E34 VanDerWaalsContact O-N 3.11Å; V31-E34 PolarHBondContact O-N 2.82Å; E34-R37 CarbonylContact O-C 3.58Å; E34-R37 WeakPolarHBondContact O-CB 3.45Å; E34-R37 PolarHBondContact O-N 2.83Å; E34-R37 VanDerWaalsContact O-N 3.17Å; E34-R37 WeakPolarHBondContact OE1-CD 3.42Å; E34-R37 IonicContact OE1-CZ 3.27Å; E34-R37 IonicContact OE1-NE 3.57Å; E34-R37 IonicContact OE1-NH1 3.23Å; E34-R37 PolarHBondContact OE1-NH1 2.93Å; E34-E38 WeakPolarHBondContact O-CB 3.48Å; E34-E38 PolarHBondContact O-N 3.29Å; E34-R41 IonicContact OE2-NH1 4Å; E34-R41 IonicContact OE2-NH2 3.37Å; E34-R41 PolarHBondContact OE2-NH2 3.2Å |
| 35 | E | 71.4 | Confident | 72.2 | Confident | 141 Ų | 141 | 103 Ų | 103 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 176.4 | -165.1 | 175.6 | 136.9 | 0 | 0 | 111.4 | V31 R37 E38 A39 | V31-E35 VanDerWaalsContact O-CB 3.26Å; V31-E35 WeakPolarHBondContact O-CB 3.26Å; V31-E35 PolarHBondContact O-N 3.32Å; E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 2.69Å; E35-E38 PolarHBondContact O-N 2.82Å; E35-A39 VanDerWaalsContact O-CB 3.29Å; E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.29Å |
| 36 | D | 80.5 | Confident | 73.7 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 169.9 | -94.5 | -12.6 | 0 | 0 | 0 | 111.9 | S32 V40 | S32-D36 PolarHBondContact O-N 2.65Å; S32-D36 VanDerWaalsContact O-N 3.1Å; D36-V40 WeakPolarHBondContact O-CG2 3.29Å; D36-V40 PolarHBondContact O-N 2.79Å; D36-V40 VanDerWaalsContact O-N 3.13Å |
| 37 | R | 81.1 | Confident | 75.2 | Confident | 151 Ų | 151 | 99.6 Ų | 99.6 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | 177.1 | -73.5 | 165.5 | 175.9 | 176.4 | 2 | 111.7 | L33 E34 E35 V40 R41 | L33-R37 WeakPolarHBondContact O-CD 3.46Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.35Å; L33-R37 PolarHBondContact O-N 3.11Å; E34-R37 CarbonylContact O-C 3.58Å; E34-R37 WeakPolarHBondContact O-CB 3.45Å; E34-R37 PolarHBondContact O-N 2.83Å; E34-R37 VanDerWaalsContact O-N 3.17Å; E34-R37 WeakPolarHBondContact OE1-CD 3.42Å; E34-R37 IonicContact OE1-CZ 3.27Å; E34-R37 IonicContact OE1-NE 3.57Å; E34-R37 IonicContact OE1-NH1 3.23Å; E34-R37 PolarHBondContact OE1-NH1 2.93Å; E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 2.69Å; R37-V40 PolarHBondContact O-N 3.21Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 2.74Å |
| 38 | E | 82.4 | Confident | 76.7 | Confident | 105 Ų | 105 | 97.3 Ų | 97.3 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -38.3 | 179.2 | -163 | 174.2 | 139.9 | 0 | 0 | 112 | E34 E35 V40 R41 R42 | E34-E38 WeakPolarHBondContact O-CB 3.48Å; E34-E38 PolarHBondContact O-N 3.29Å; E35-E38 PolarHBondContact O-N 2.82Å; E38-V40 VanDerWaalsContact C-N 3.32Å; E38-V40 PolarHBondContact O-N 3Å; E38-R41 WeakPolarHBondContact O-CB 3.19Å; E38-R41 PolarHBondContact O-N 2.86Å; E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 3.18Å |
| 39 | A | 85.1 | Confident | 78.1 | Confident | 56 Ų | 56 | 94.8 Ų | 94.8 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E35 R42 E43 | E35-A39 VanDerWaalsContact O-CB 3.29Å; E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.29Å; A39-R42 PolarHBondContact O-N 3.35Å; A39-E43 VanDerWaalsContact O-CB 3.32Å; A39-E43 WeakPolarHBondContact O-CB 3.3Å; A39-E43 PolarHBondContact O-N 3.5Å |
| 40 | V | 86.4 | Confident | 79.5 | Confident | 105 Ų | 105 | 93 Ų | 93 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 173.9 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | D36 R37 E38 A44 | D36-V40 WeakPolarHBondContact O-CG2 3.29Å; D36-V40 PolarHBondContact O-N 2.79Å; D36-V40 VanDerWaalsContact O-N 3.13Å; R37-V40 PolarHBondContact O-N 3.21Å; E38-V40 VanDerWaalsContact C-N 3.32Å; E38-V40 PolarHBondContact O-N 3Å; V40-A44 WeakPolarHBondContact O-CB 3.3Å; V40-A44 PolarHBondContact O-N 3.48Å |
| 41 | R | 84.9 | Confident | 80.6 | Confident | 135 Ų | 135 | 92.4 Ų | 92.4 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.8 | -50 | 173.8 | -72.9 | -177.3 | -71.3 | -122 | -1.9 | 111.3 | E34 R37 E38 E43 A44 E45 | E34-R41 IonicContact OE2-NH1 4Å; E34-R41 IonicContact OE2-NH2 3.37Å; E34-R41 PolarHBondContact OE2-NH2 3.2Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 2.74Å; E38-R41 WeakPolarHBondContact O-CB 3.19Å; E38-R41 PolarHBondContact O-N 2.86Å; R41-E43 PolarHBondContact O-N 2.91Å; R41-A44 WeakPolarHBondContact O-CB 3.37Å; R41-A44 PolarHBondContact O-N 2.83Å; R41-E45 PolarHBondContact O-N 3.44Å |
| 42 | R | 87.2 | Confident | 81.8 | Confident | 166 Ų | 166 | 92.1 Ų | 92.1 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.8 | -36.5 | -177.4 | -162.9 | -176.7 | -162.1 | 94.5 | 8.3 | 113 | E38 A39 R46 | E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 3.18Å; A39-R42 PolarHBondContact O-N 3.35Å; R42-R46 WeakPolarHBondContact O-CB 3.46Å; R42-R46 PolarHBondContact O-N 3.13Å |
| 43 | E | 87.8 | Confident | 82.8 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 34% | 0.341 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.7 | -38 | 173.6 | 173.3 | 55 | -160.9 | 0 | 0 | 111.6 | A39 R41 R46 Q47 | A39-E43 VanDerWaalsContact O-CB 3.32Å; A39-E43 WeakPolarHBondContact O-CB 3.3Å; A39-E43 PolarHBondContact O-N 3.5Å; R41-E43 PolarHBondContact O-N 2.91Å; E43-R46 VanDerWaalsContact CD-NH2 3.26Å; E43-R46 PolarHBondContact O-N 2.89Å; E43-R46 IonicContact OE1-CZ 3.78Å; E43-R46 IonicContact OE1-NE 3.01Å; E43-R46 IonicContact OE1-NH2 3.29Å; E43-R46 PolarHBondContact OE1-NH2 3.2Å; E43-R46 IonicContact OE2-CZ 3.59Å; E43-R46 VanDerWaalsContact OE2-CZ 3.29Å; E43-R46 IonicContact OE2-NE 3.68Å; E43-R46 PolarHBondContact OE2-NE 2.83Å; E43-R46 IonicContact OE2-NH2 2.66Å; E43-R46 PolarHBondContact OE2-NH2 2.98Å; E43-Q47 WeakPolarHBondContact O-CB 3.37Å; E43-Q47 VanDerWaalsContact O-CG 3.3Å; E43-Q47 WeakPolarHBondContact O-CG 3.39Å; E43-Q47 PolarHBondContact O-N 3.39Å; E43-Q47 PolarHBondContact OE1-NE2 3.12Å |
| 44 | A | 87 | Confident | 83.7 | Confident | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V40 R41 Q47 A48 | V40-A44 WeakPolarHBondContact O-CB 3.3Å; V40-A44 PolarHBondContact O-N 3.48Å; R41-A44 WeakPolarHBondContact O-CB 3.37Å; R41-A44 PolarHBondContact O-N 2.83Å; A44-Q47 PolarHBondContact O-N 3.44Å; A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 2.97Å |
| 45 | E | 89.5 | Confident | 84.3 | Confident | 72 Ų | 72 | 92.9 Ų | 92.9 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.2 | -49.7 | 172.4 | -177.8 | -169.2 | 176.1 | 0 | 0 | 111.1 | R41 Q47 A48 Q49 | R41-E45 PolarHBondContact O-N 3.44Å; E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 3.02Å; E45-A48 PolarHBondContact O-N 3.32Å; E45-A48 VanDerWaalsContact O-N 3.12Å; E45-Q49 PolarHBondContact O-N 3.33Å |
| 46 | R | 89.3 | Confident | 84.6 | Confident | 140 Ų | 140 | 91.4 Ų | 91.4 | 53% | 0.528 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59 | -38.9 | 177 | -168.3 | -165.7 | 67.8 | 73.6 | 3.4 | 112.2 | R42 E43 A50 | R42-R46 WeakPolarHBondContact O-CB 3.46Å; R42-R46 PolarHBondContact O-N 3.13Å; E43-R46 VanDerWaalsContact CD-NH2 3.26Å; E43-R46 PolarHBondContact O-N 2.89Å; E43-R46 IonicContact OE1-CZ 3.78Å; E43-R46 IonicContact OE1-NE 3.01Å; E43-R46 IonicContact OE1-NH2 3.29Å; E43-R46 PolarHBondContact OE1-NH2 3.2Å; E43-R46 IonicContact OE2-CZ 3.59Å; E43-R46 VanDerWaalsContact OE2-CZ 3.29Å; E43-R46 IonicContact OE2-NE 3.68Å; E43-R46 PolarHBondContact OE2-NE 2.83Å; E43-R46 IonicContact OE2-NH2 2.66Å; E43-R46 PolarHBondContact OE2-NH2 2.98Å; R46-A50 VanDerWaalsContact O-CB 3.3Å; R46-A50 WeakPolarHBondContact O-CB 3.25Å; R46-A50 PolarHBondContact O-N 2.92Å |
| 47 | Q | 86.8 | Confident | 84.6 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 174.7 | -74 | 178.9 | 27.4 | 0 | 0 | 112.3 | E43 A44 E45 A50 Q51 | E43-Q47 WeakPolarHBondContact O-CB 3.37Å; E43-Q47 VanDerWaalsContact O-CG 3.3Å; E43-Q47 WeakPolarHBondContact O-CG 3.39Å; E43-Q47 PolarHBondContact O-N 3.39Å; E43-Q47 PolarHBondContact OE1-NE2 3.12Å; A44-Q47 PolarHBondContact O-N 3.44Å; E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 3.02Å; Q47-A50 PolarHBondContact O-N 2.83Å; Q47-Q51 WeakPolarHBondContact O-CG 3.49Å; Q47-Q51 PolarHBondContact O-N 3.45Å |
| 48 | A | 85.1 | Confident | 84.5 | Confident | 21 Ų | 21 | 89.5 Ų | 89.5 | 17% | 0.174 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A44 E45 Q51 L52 P79 V80 | A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 2.97Å; E45-A48 PolarHBondContact O-N 3.32Å; E45-A48 VanDerWaalsContact O-N 3.12Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 3.12Å; A48-L52 PolarHBondContact O-N 3.2Å; A48-P79 HydrophobicContact CB-CB 3.95Å; A48-P79 VanDerWaalsContact CB-O 3.29Å; A48-P79 WeakPolarHBondContact CB-O 3.43Å; A48-V80 HydrophobicContact CB-CG2 3.57Å |
| 49 | Q | 86.9 | Confident | 84 | Confident | 82 Ų | 82 | 89.6 Ų | 89.6 | 38% | 0.383 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 175.4 | -163.2 | 168.2 | 34 | 0 | 0 | 111.6 | E45 Q51 L52 E53 V80 | E45-Q49 PolarHBondContact O-N 3.33Å; Q49-Q51 PolarHBondContact O-N 2.92Å; Q49-L52 PolarHBondContact O-N 3.47Å; Q49-L52 VanDerWaalsContact O-N 3.13Å; Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 2.81Å; Q49-V80 HydrophobicContact CB-CG1 4.03Å; Q49-V80 HydrophobicContact CB-CG2 3.98Å; Q49-V80 HydrophobicContact CG-CG1 4.07Å |
| 50 | A | 85.4 | Confident | 83.5 | Confident | 44 Ų | 44 | 90.1 Ų | 90.1 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -26.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R46 Q47 K54 | R46-A50 VanDerWaalsContact O-CB 3.3Å; R46-A50 WeakPolarHBondContact O-CB 3.25Å; R46-A50 PolarHBondContact O-N 2.92Å; Q47-A50 PolarHBondContact O-N 2.83Å; A50-K54 VanDerWaalsContact O-CG 3.31Å; A50-K54 WeakPolarHBondContact O-CG 3.45Å; A50-K54 PolarHBondContact O-N 2.78Å |
| 51 | Q | 82.4 | Confident | 83.2 | Confident | 91 Ų | 91 | 88 Ų | 88 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.3 | -42.3 | 169.5 | -72 | 168.8 | 43.7 | 0 | 0 | 111.3 | Q47 A48 Q49 E53 K54 A55 | Q47-Q51 WeakPolarHBondContact O-CG 3.49Å; Q47-Q51 PolarHBondContact O-N 3.45Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 3.12Å; Q49-Q51 PolarHBondContact O-N 2.92Å; Q51-E53 PolarHBondContact O-N 3.37Å; Q51-K54 CarbonylContact O-C 3.57Å; Q51-K54 PolarHBondContact O-N 3.41Å; Q51-A55 PolarHBondContact O-N 3.43Å |
| 52 | L | 84.3 | Confident | 82.8 | Confident | 60 Ų | 60 | 84.2 Ų | 84.2 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 178 | -175.5 | 60.2 | 0 | 0 | 0 | 112.3 | A48 Q49 K54 A55 K56 M83 | A48-L52 PolarHBondContact O-N 3.2Å; Q49-L52 PolarHBondContact O-N 3.47Å; Q49-L52 VanDerWaalsContact O-N 3.13Å; L52-K54 PolarHBondContact O-N 3.44Å; L52-A55 WeakPolarHBondContact O-CB 3.28Å; L52-A55 PolarHBondContact O-N 3.2Å; L52-A55 VanDerWaalsContact O-N 3.12Å; L52-K56 PolarHBondContact O-N 3.17Å; L52-M83 HydrophobicContact CD2-CB 3.77Å; L52-M83 HydrophobicContact CD2-CE 3.73Å; L52-M83 HydrophobicContact CD2-CG 3.95Å |
| 53 | E | 85.9 | Confident | 82.5 | Confident | 91 Ų | 91 | 78.9 Ų | 78.9 | 43% | 0.425 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 173.6 | -66.8 | -52.1 | 131.2 | 0 | 0 | 111.8 | Q49 Q51 A55 K56 | Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 2.81Å; Q51-E53 PolarHBondContact O-N 3.37Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.28Å; E53-K56 WeakPolarHBondContact O-CB 3.29Å; E53-K56 PolarHBondContact O-N 2.66Å; E53-K56 VanDerWaalsContact OE1-CE 3.28Å; E53-K56 WeakPolarHBondContact OE1-CE 3.32Å; E53-K56 IonicContact OE1-NZ 2.65Å; E53-K56 PolarHBondContact OE1-NZ 2.81Å; E53-K56 WeakPolarHBondContact OE2-CD 3.3Å; E53-K56 VanDerWaalsContact OE2-CE 3.29Å; E53-K56 WeakPolarHBondContact OE2-CE 3.31Å; E53-K56 IonicContact OE2-NZ 2.69Å; E53-K56 PolarHBondContact OE2-NZ 3.3Å |
| 54 | K | 82.9 | Confident | 82.5 | Confident | 147 Ų | 147 | 78.5 Ų | 78.5 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.8 | -27.1 | 174.6 | -75.5 | 178 | 178.8 | -174.2 | 0 | 113.3 | A50 Q51 L52 | A50-K54 VanDerWaalsContact O-CG 3.31Å; A50-K54 WeakPolarHBondContact O-CG 3.45Å; A50-K54 PolarHBondContact O-N 2.78Å; Q51-K54 CarbonylContact O-C 3.57Å; Q51-K54 PolarHBondContact O-N 3.41Å; L52-K54 PolarHBondContact O-N 3.44Å |
| 55 | A | 77.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 82.9 Ų | 82.9 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -76.8 | -25 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q51 L52 E53 T57 K58 K96 | Q51-A55 PolarHBondContact O-N 3.43Å; L52-A55 WeakPolarHBondContact O-CB 3.28Å; L52-A55 PolarHBondContact O-N 3.2Å; L52-A55 VanDerWaalsContact O-N 3.12Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.28Å; A55-T57 VanDerWaalsContact C-N 3.31Å; A55-T57 PolarHBondContact O-N 3.26Å; A55-K58 PolarHBondContact O-N 3.11Å; A55-K96 WeakPolarHBondContact O-CD 3.36Å |
| 56 | K | 78.6 | Confident | 82.9 | Confident | 111 Ų | 111 | 80 Ų | 80 | 48% | 0.483 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.8 | -44.1 | -179.9 | -69.8 | -179.2 | -174 | 169.1 | 0 | 112.5 | L52 E53 K96 | L52-K56 PolarHBondContact O-N 3.17Å; E53-K56 WeakPolarHBondContact O-CB 3.29Å; E53-K56 PolarHBondContact O-N 2.66Å; E53-K56 VanDerWaalsContact OE1-CE 3.28Å; E53-K56 WeakPolarHBondContact OE1-CE 3.32Å; E53-K56 IonicContact OE1-NZ 2.65Å; E53-K56 PolarHBondContact OE1-NZ 2.81Å; E53-K56 WeakPolarHBondContact OE2-CD 3.3Å; E53-K56 VanDerWaalsContact OE2-CE 3.29Å; E53-K56 WeakPolarHBondContact OE2-CE 3.31Å; E53-K56 IonicContact OE2-NZ 2.69Å; E53-K56 PolarHBondContact OE2-NZ 3.3Å; K56-K96 PolarHBondContact O-NZ 3.1Å |
| 57 | T | 80.1 | Confident | 82.9 | Confident | 130 Ų | 130 | 79.7 Ų | 79.7 | 80% | 0.798 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -9.6 | -178.1 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | A55 | A55-T57 VanDerWaalsContact C-N 3.31Å; A55-T57 PolarHBondContact O-N 3.26Å |
| 58 | K | 78 | Confident | 83.1 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -69.4 | 152.4 | 176.4 | -72.2 | -177.5 | -178.9 | -172.9 | 0 | 111.6 | A55 K96 E97 | A55-K58 PolarHBondContact O-N 3.11Å; K58-K96 HydrophobicContact CB-CD 4.5Å; K58-K96 WeakPolarHBondContact O-CD 3.5Å; K58-K96 WeakPolarHBondContact O-CE 3.34Å; K58-K96 PolarHBondContact O-NZ 2.71Å; K58-E97 HydrophobicContact CD-CG 4.35Å; K58-E97 WeakPolarHBondContact CE-OE1 3.24Å; K58-E97 IonicContact NZ-OE1 3.22Å; K58-E97 PolarHBondContact NZ-OE1 2.73Å |
| 59 | P | 72.8 | Confident | 83.5 | Confident | 108 Ų | 108 | 83.3 Ų | 83.3 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -60 | 164 | 169.3 | 27.1 | -35 | 0 | 0 | 0 | 111.4 | K96 | P59-K96 WeakPolarHBondContact O-CG 3.43Š|
| 60 | V | 73.8 | Confident | 83.7 | Confident | 66 Ų | 66 | 83.3 Ų | 83.3 | 40% | 0.4 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 130.3 | 166.5 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | F62 H94 | V60-F62 VanDerWaalsContact CG1-O 3.3Å; V60-F62 WeakPolarHBondContact CG1-O 3.02Å; V60-H94 HydrophobicContact CB-CB 4.49Å; V60-H94 HydrophobicContact CG1-CB 3.82Å; V60-H94 HydrophobicContact CG2-CB 3.81Å |
| 61 | A | 81 | Confident | 83.9 | Confident | 60 Ų | 60 | 85 Ų | 85 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | trans | -85.7 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V95 V98 | A61-V95 WeakPolarHBondContact CB-O 3.32Å; A61-V95 PolarHBondContact N-O 3.09Å; A61-V98 HydrophobicContact CB-CG2 3.63Å | ||
| 62 | F | 75.4 | Confident | 83.9 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 25% | 0.25 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 163.4 | 167.6 | 57.5 | -107.4 | 0 | 0 | 0 | 111.8 | V60 V64 V95 V98 | V60-F62 VanDerWaalsContact CG1-O 3.3Å; V60-F62 WeakPolarHBondContact CG1-O 3.02Å; F62-V64 HydrophobicContact CD2-CG1 3.84Å; F62-V64 HydrophobicContact CE2-CG1 3.71Å; F62-V95 HydrophobicContact CD2-CB 3.9Å; F62-V95 HydrophobicContact CD2-CG2 3.99Å; F62-V95 HydrophobicContact CE1-CB 4.49Å; F62-V95 HydrophobicContact CE1-CG1 4.38Å; F62-V95 HydrophobicContact CE2-CB 3.6Å; F62-V95 HydrophobicContact CE2-CG1 4.1Å; F62-V95 HydrophobicContact CE2-CG2 3.46Å; F62-V95 VanDerWaalsContact CE2-CG2 3.46Å; F62-V95 HydrophobicContact CG-CB 4.46Å; F62-V95 HydrophobicContact CZ-CB 3.93Å; F62-V95 HydrophobicContact CZ-CG1 3.9Å; F62-V95 HydrophobicContact CZ-CG2 4.09Å; F62-V95 PolarHBondContact N-O 3.39Å; F62-V95 PolarHBondContact O-N 3.24Å; F62-V98 HydrophobicContact CD1-CG2 3.88Å; F62-V98 HydrophobicContact CE1-CB 4.39Å; F62-V98 HydrophobicContact CE1-CG1 3.98Å; F62-V98 HydrophobicContact CE1-CG2 3.44Å; F62-V98 VanDerWaalsContact CE1-CG2 3.44Å; F62-V98 HydrophobicContact CZ-CG2 4.3Å |
| 63 | A | 82.8 | Confident | 83.5 | Confident | 54 Ų | 54 | 82 Ų | 82 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L93 | A63-L93 WeakPolarHBondContact CA-O 3.47Å |
| 64 | V | 87.5 | Confident | 82.4 | Confident | 65 Ų | 65 | 86.1 Ų | 86.1 | 39% | 0.394 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.3 | 169.3 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | F62 F92 L93 | F62-V64 HydrophobicContact CD2-CG1 3.84Å; F62-V64 HydrophobicContact CE2-CG1 3.71Å; V64-F92 CarbonylContact O-C 3.6Å; V64-F92 WeakPolarHBondContact O-CA 3.43Å; V64-L93 HydrophobicContact CG2-CB 3.96Å; V64-L93 PolarHBondContact N-O 3.01Å; V64-L93 PolarHBondContact O-N 3.25Å |
| 65 | R | 92.4 | Very high | 81.7 | Confident | 147 Ų | 147 | 84.2 Ų | 84.2 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.6 | 168.8 | -160 | -177.7 | 69.6 | -156.6 | -2.5 | 110.1 | K90 D91 F92 | R65-K90 WeakPolarHBondContact CG-O 3.3Å; R65-D91 CarbonylContact C-O 3.5Å; R65-D91 VanDerWaalsContact CA-O 3.25Å; R65-D91 WeakPolarHBondContact CA-O 3.29Å; R65-D91 WeakPolarHBondContact CG-O 3.4Å; R65-F92 HydrophobicContact CB-CD1 4.02Å; R65-F92 HydrophobicContact CB-CE1 3.77Å; R65-F92 HydrophobicContact CB-CE2 4.49Å; R65-F92 HydrophobicContact CB-CG 4.5Å; R65-F92 HydrophobicContact CB-CZ 4.04Å; R65-F92 HydrophobicContact CG-CD1 4.31Å; R65-F92 HydrophobicContact CG-CD2 4.14Å; R65-F92 HydrophobicContact CG-CE1 4.05Å; R65-F92 HydrophobicContact CG-CE2 3.86Å; R65-F92 HydrophobicContact CG-CG 4.37Å; R65-F92 HydrophobicContact CG-CZ 3.83Å |
| 66 | T | 91.6 | Very high | 80.9 | Confident | 12 Ų | 12 | 91.6 Ų | 91.6 | 7% | 0.074 | 51% | 0.512 | C | S | . | . | trans | -73.6 | 145.2 | -179.8 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | F87 E88 A89 K90 D91 L93 | T66-F87 HydrophobicContact CG2-CD2 3.48Å; T66-F87 VanDerWaalsContact CG2-CD2 3.48Å; T66-F87 HydrophobicContact CG2-CE2 3.66Å; T66-F87 HydrophobicContact CG2-CG 4.11Å; T66-F87 HydrophobicContact CG2-CZ 4.42Å; T66-E88 PolarHBondContact OG1-O 3.21Å; T66-A89 WeakPolarHBondContact OG1-CA 3.35Å; T66-K90 VanDerWaalsContact O-CA 3.29Å; T66-K90 WeakPolarHBondContact O-CA 3.45Å; T66-K90 PolarHBondContact O-N 3.45Å; T66-K90 PolarHBondContact OG1-N 3.02Å; T66-D91 HydrophobicContact CG2-CB 4.27Å; T66-D91 PolarHBondContact N-O 2.88Å; T66-D91 PolarHBondContact OG1-N 3.47Å; T66-D91 PolarHBondContact OG1-O 2.95Å; T66-L93 HydrophobicContact CG2-CD1 3.7Å; T66-L93 HydrophobicContact CG2-CD2 4.32Å; T66-L93 HydrophobicContact CG2-CG 3.74Å | ||
| 67 | N | 89 | Confident | 80.8 | Confident | 133 Ų | 133 | 93.7 Ų | 93.7 | 71% | 0.711 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -110.6 | -5.9 | 171.6 | -68.7 | -36.3 | 0 | 0 | 0 | 112.5 | ||
| 68 | V | 92.3 | Very high | 80.9 | Confident | 106 Ų | 106 | 89 Ų | 89 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -139.8 | 154.2 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 109 | F87 | V68-F87 WeakPolarHBondContact O-CE2 3.43Š|
| 69 | S | 92.2 | Very high | 81.2 | Confident | 86 Ų | 86 | 89.8 Ų | 89.8 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | trans | -84.1 | 151.3 | 170.9 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | F87 | S69-F87 CarbonylContact C-O 3.6Å; S69-F87 VanDerWaalsContact CA-O 3.26Å; S69-F87 WeakPolarHBondContact CA-O 3.14Å | ||
| 70 | Y | 91.4 | Very high | 81.8 | Confident | 83 Ų | 83 | 85.1 Ų | 85.1 | 33% | 0.325 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -138.8 | 137.7 | 175.1 | 168.8 | -105.5 | 0 | 0 | 0 | 110.4 | A72 E75 I85 S86 F87 | Y70-A72 HydrophobicContact CE1-CB 4.13Å; Y70-E75 HydrophobicContact CE2-CG 4.42Å; Y70-I85 VanDerWaalsContact CD1-O 3.28Å; Y70-I85 WeakPolarHBondContact CD1-O 3.05Å; Y70-I85 WeakPolarHBondContact CE1-O 3.31Å; Y70-S86 CarbonylContact O-C 3.51Å; Y70-S86 WeakPolarHBondContact O-CA 3.26Å; Y70-S86 WeakPolarHBondContact O-CB 3.35Å; Y70-F87 HydrophobicContact CD1-CD1 4.08Å; Y70-F87 AromaticContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CZ 4.14Å; Y70-F87 HydrophobicContact CG-CE1 4.03Å; Y70-F87 HydrophobicContact CG-CZ 4.05Å; Y70-F87 PolarHBondContact N-O 3.3Å; Y70-F87 PolarHBondContact O-N 2.78Å |
| 71 | S | 88.8 | Confident | 82.3 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | trans | -120.1 | 125.1 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | A73 | S71-A73 PolarHBondContact O-N 3.29Š| ||
| 72 | A | 83.7 | Confident | 82.5 | Confident | 19 Ų | 19 | 87.2 Ų | 87.2 | 16% | 0.157 | 51% | 0.507 | C | S | . | . | trans | -78.7 | 1.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y70 H74 A84 S86 | Y70-A72 HydrophobicContact CE1-CB 4.13Å; A72-H74 PolarHBondContact O-N 2.83Å; A72-H74 VanDerWaalsContact O-N 3.09Å; A72-A84 HydrophobicContact CB-CB 3.57Å; A72-A84 WeakPolarHBondContact CB-O 3.49Å; A72-S86 PolarHBondContact N-OG 3.2Å | ||
| 73 | A | 74.6 | Confident | 83 | Confident | 70 Ų | 70 | 88.7 Ų | 88.7 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | S71 | S71-A73 PolarHBondContact O-N 3.29Š|
| 74 | H | 64.6 | Low | 83.2 | Confident | 177 Ų | 177 | 87.7 Ų | 87.7 | 82% | 0.819 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135 | 17.3 | -171.6 | -58.5 | -24.8 | 0 | 0 | 0 | 113.7 | A72 | A72-H74 PolarHBondContact O-N 2.83Å; A72-H74 VanDerWaalsContact O-N 3.09Å |
| 75 | E | 66.3 | Low | 83.2 | Confident | 107 Ų | 107 | 89.9 Ų | 89.9 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | trans | -102 | 101.4 | -178 | -66.9 | -72 | 166.6 | 0 | 0 | 110.6 | Y70 D77 V78 | Y70-E75 HydrophobicContact CE2-CG 4.42Å; E75-D77 VanDerWaalsContact C-N 3.34Å; E75-V78 HydrophobicContact CB-CG2 3.8Å; E75-V78 VanDerWaalsContact O-CG2 3.3Å; E75-V78 WeakPolarHBondContact O-CG2 3.48Å | ||
| 76 | D | 61.7 | Low | 83.1 | Confident | 172 Ų | 172 | 86.4 Ų | 86.4 | 92% | 0.92 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.6 | 178.6 | -74.7 | -49.3 | 0 | 0 | 0 | 113.6 | V78 | D76-V78 VanDerWaalsContact C-N 3.29Å; D76-V78 PolarHBondContact O-N 2.98Å |
| 77 | D | 75.9 | Confident | 83.2 | Confident | 156 Ų | 156 | 87.8 Ų | 87.8 | 83% | 0.834 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 21.2 | -176.1 | -152.8 | 25.2 | 0 | 0 | 0 | 113 | E75 | E75-D77 VanDerWaalsContact C-N 3.34Š|
| 78 | V | 83.2 | Confident | 83.3 | Confident | 32 Ų | 32 | 88.4 Ų | 88.4 | 19% | 0.194 | 52% | 0.518 | C | S | . | . | trans | -78.2 | 126 | -180 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | E75 D76 V80 A84 | E75-V78 HydrophobicContact CB-CG2 3.8Å; E75-V78 VanDerWaalsContact O-CG2 3.3Å; E75-V78 WeakPolarHBondContact O-CG2 3.48Å; D76-V78 VanDerWaalsContact C-N 3.29Å; D76-V78 PolarHBondContact O-N 2.98Å; V78-V80 VanDerWaalsContact CG1-O 3.28Å; V78-V80 WeakPolarHBondContact CG1-O 3.3Å; V78-V80 PolarHBondContact O-N 2.87Å; V78-A84 HydrophobicContact CB-CB 4.44Å; V78-A84 HydrophobicContact CG1-CB 3.72Å; V78-A84 HydrophobicContact CG2-CB 3.79Å | ||
| 79 | P | 83.4 | Confident | 83.4 | Confident | 98 Ų | 98 | 85.5 Ų | 85.5 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -60.4 | -16.9 | -175.1 | -28.1 | 35.8 | 0 | 0 | 0 | 117 | A48 | A48-P79 HydrophobicContact CB-CB 3.95Å; A48-P79 VanDerWaalsContact CB-O 3.29Å; A48-P79 WeakPolarHBondContact CB-O 3.43Å |
| 80 | V | 85.9 | Confident | 83.3 | Confident | 10 Ų | 10 | 89 Ų | 89 | 6% | 0.061 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -140 | 110.7 | 169.6 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | A48 Q49 V78 M83 | A48-V80 HydrophobicContact CB-CG2 3.57Å; Q49-V80 HydrophobicContact CB-CG1 4.03Å; Q49-V80 HydrophobicContact CB-CG2 3.98Å; Q49-V80 HydrophobicContact CG-CG1 4.07Å; V78-V80 VanDerWaalsContact CG1-O 3.28Å; V78-V80 WeakPolarHBondContact CG1-O 3.3Å; V78-V80 PolarHBondContact O-N 2.87Å; V80-M83 HydrophobicContact CB-CB 4.08Å; V80-M83 HydrophobicContact CB-CG 4.06Å; V80-M83 HydrophobicContact CG1-CB 4.14Å; V80-M83 HydrophobicContact CG1-CG 3.55Å; V80-M83 PolarHBondContact O-N 3.33Å |
| 81 | P | 84.3 | Confident | 83.3 | Confident | 87 Ų | 87 | 88.4 Ų | 88.4 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 139.4 | -178.2 | -29.1 | 36.2 | 0 | 0 | 0 | 113.1 | M83 | P81-M83 PolarHBondContact O-N 2.82Å; P81-M83 VanDerWaalsContact O-N 3.11Å |
| 82 | G | 84.8 | Confident | 83 | Confident | 82 Ų | 82 | 91 Ų | 91 | 85% | 0.845 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | -4.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 83 | M | 86 | Confident | 83.2 | Confident | 89 Ų | 89 | 91.8 Ų | 91.8 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | trans | -98.8 | 2.8 | -179.2 | -60.2 | -57.2 | -58.6 | 0 | 0 | 114.3 | L52 V80 P81 | L52-M83 HydrophobicContact CD2-CB 3.77Å; L52-M83 HydrophobicContact CD2-CE 3.73Å; L52-M83 HydrophobicContact CD2-CG 3.95Å; V80-M83 HydrophobicContact CB-CB 4.08Å; V80-M83 HydrophobicContact CB-CG 4.06Å; V80-M83 HydrophobicContact CG1-CB 4.14Å; V80-M83 HydrophobicContact CG1-CG 3.55Å; V80-M83 PolarHBondContact O-N 3.33Å; P81-M83 PolarHBondContact O-N 2.82Å; P81-M83 VanDerWaalsContact O-N 3.11Å | ||
| 84 | A | 87.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 94.4 Ų | 94.4 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 131.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | A72 V78 | A72-A84 HydrophobicContact CB-CB 3.57Å; A72-A84 WeakPolarHBondContact CB-O 3.49Å; V78-A84 HydrophobicContact CB-CB 4.44Å; V78-A84 HydrophobicContact CG1-CB 3.72Å; V78-A84 HydrophobicContact CG2-CB 3.79Å |
| 85 | I | 88.2 | Confident | 84.3 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 56% | 0.564 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 137.9 | 179.7 | 59.5 | 177 | 0 | 0 | 0 | 110.9 | Y70 F87 L93 | Y70-I85 VanDerWaalsContact CD1-O 3.28Å; Y70-I85 WeakPolarHBondContact CD1-O 3.05Å; Y70-I85 WeakPolarHBondContact CE1-O 3.31Å; I85-F87 HydrophobicContact CG1-CD1 4.44Å; I85-L93 HydrophobicContact CD1-CD2 4.2Å |
| 86 | S | 90.4 | Very high | 84.6 | Confident | 74 Ų | 74 | 85.7 Ų | 85.7 | 52% | 0.517 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 150.1 | 164.9 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | Y70 A72 | Y70-S86 CarbonylContact O-C 3.51Å; Y70-S86 WeakPolarHBondContact O-CA 3.26Å; Y70-S86 WeakPolarHBondContact O-CB 3.35Å; A72-S86 PolarHBondContact N-OG 3.2Å |
| 87 | F | 92.5 | Very high | 85.2 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 18% | 0.184 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -152 | 152 | -177.8 | 53.7 | -101.4 | 0 | 0 | 0 | 111.7 | T66 V68 S69 Y70 I85 D91 L93 | T66-F87 HydrophobicContact CG2-CD2 3.48Å; T66-F87 VanDerWaalsContact CG2-CD2 3.48Å; T66-F87 HydrophobicContact CG2-CE2 3.66Å; T66-F87 HydrophobicContact CG2-CG 4.11Å; T66-F87 HydrophobicContact CG2-CZ 4.42Å; V68-F87 WeakPolarHBondContact O-CE2 3.43Å; S69-F87 CarbonylContact C-O 3.6Å; S69-F87 VanDerWaalsContact CA-O 3.26Å; S69-F87 WeakPolarHBondContact CA-O 3.14Å; Y70-F87 HydrophobicContact CD1-CD1 4.08Å; Y70-F87 AromaticContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CZ 4.14Å; Y70-F87 HydrophobicContact CG-CE1 4.03Å; Y70-F87 HydrophobicContact CG-CZ 4.05Å; Y70-F87 PolarHBondContact N-O 3.3Å; Y70-F87 PolarHBondContact O-N 2.78Å; I85-F87 HydrophobicContact CG1-CD1 4.44Å; F87-D91 WeakPolarHBondContact CA-OD2 3.5Å; F87-D91 HydrophobicContact CB-CB 4.29Å; F87-L93 HydrophobicContact CB-CD2 3.96Å; F87-L93 HydrophobicContact CD1-CD1 3.67Å; F87-L93 HydrophobicContact CD1-CD2 3.99Å; F87-L93 HydrophobicContact CD1-CG 4.46Å; F87-L93 HydrophobicContact CD2-CD1 4.47Å; F87-L93 HydrophobicContact CE1-CD1 3.58Å; F87-L93 HydrophobicContact CE2-CD1 4.39Å; F87-L93 HydrophobicContact CG-CD1 4.12Å; F87-L93 HydrophobicContact CG-CD2 4.08Å; F87-L93 HydrophobicContact CZ-CD1 3.94Å |
| 88 | E | 91.9 | Very high | 85.2 | Confident | 145 Ų | 145 | 74 Ų | 74 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | trans | -90.3 | 176 | 172.3 | -65.9 | -165.9 | -171.5 | 0 | 0 | 111.3 | T66 D91 | T66-E88 PolarHBondContact OG1-O 3.21Å; E88-D91 PolarHBondContact N-OD2 2.88Å | ||
| 89 | A | 94.1 | Very high | 85.2 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 134.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | T66 | T66-A89 WeakPolarHBondContact OG1-CA 3.35Š|
| 90 | K | 90.8 | Very high | 85.2 | Confident | 158 Ų | 158 | 73.5 Ų | 73.5 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 0.5 | -173.3 | -49.2 | 162.6 | -172.8 | 169.9 | 0 | 115.9 | R65 T66 | R65-K90 WeakPolarHBondContact CG-O 3.3Å; T66-K90 VanDerWaalsContact O-CA 3.29Å; T66-K90 WeakPolarHBondContact O-CA 3.45Å; T66-K90 PolarHBondContact O-N 3.45Å; T66-K90 PolarHBondContact OG1-N 3.02Å |
| 91 | D | 89.8 | Confident | 85.2 | Confident | 71 Ų | 71 | 80.5 Ų | 80.5 | 38% | 0.38 | 43% | 0.427 | S | S | . | . | trans | -62.7 | 158 | 168.7 | -80.8 | -17.5 | 0 | 0 | 0 | 112.1 | R65 T66 F87 E88 | R65-D91 CarbonylContact C-O 3.5Å; R65-D91 VanDerWaalsContact CA-O 3.25Å; R65-D91 WeakPolarHBondContact CA-O 3.29Å; R65-D91 WeakPolarHBondContact CG-O 3.4Å; T66-D91 HydrophobicContact CG2-CB 4.27Å; T66-D91 PolarHBondContact N-O 2.88Å; T66-D91 PolarHBondContact OG1-N 3.47Å; T66-D91 PolarHBondContact OG1-O 2.95Å; F87-D91 WeakPolarHBondContact CA-OD2 3.5Å; F87-D91 HydrophobicContact CB-CB 4.29Å; E88-D91 PolarHBondContact N-OD2 2.88Å | ||
| 92 | F | 83.5 | Confident | 85.3 | Confident | 134 Ų | 134 | 81 Ų | 81 | 59% | 0.588 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.3 | 174.1 | -74.5 | -96.5 | 0 | 0 | 0 | 111.1 | V64 R65 | V64-F92 CarbonylContact O-C 3.6Å; V64-F92 WeakPolarHBondContact O-CA 3.43Å; R65-F92 HydrophobicContact CB-CD1 4.02Å; R65-F92 HydrophobicContact CB-CE1 3.77Å; R65-F92 HydrophobicContact CB-CE2 4.49Å; R65-F92 HydrophobicContact CB-CG 4.5Å; R65-F92 HydrophobicContact CB-CZ 4.04Å; R65-F92 HydrophobicContact CG-CD1 4.31Å; R65-F92 HydrophobicContact CG-CD2 4.14Å; R65-F92 HydrophobicContact CG-CE1 4.05Å; R65-F92 HydrophobicContact CG-CE2 3.86Å; R65-F92 HydrophobicContact CG-CG 4.37Å; R65-F92 HydrophobicContact CG-CZ 3.83Å |
| 93 | L | 88.2 | Confident | 85.5 | Confident | 35 Ų | 35 | 77.5 Ų | 77.5 | 18% | 0.183 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.5 | -179.4 | -50.5 | -178.9 | 0 | 0 | 0 | 111 | A63 V64 T66 I85 F87 | A63-L93 WeakPolarHBondContact CA-O 3.47Å; V64-L93 HydrophobicContact CG2-CB 3.96Å; V64-L93 PolarHBondContact N-O 3.01Å; V64-L93 PolarHBondContact O-N 3.25Å; T66-L93 HydrophobicContact CG2-CD1 3.7Å; T66-L93 HydrophobicContact CG2-CD2 4.32Å; T66-L93 HydrophobicContact CG2-CG 3.74Å; I85-L93 HydrophobicContact CD1-CD2 4.2Å; F87-L93 HydrophobicContact CB-CD2 3.96Å; F87-L93 HydrophobicContact CD1-CD1 3.67Å; F87-L93 HydrophobicContact CD1-CD2 3.99Å; F87-L93 HydrophobicContact CD1-CG 4.46Å; F87-L93 HydrophobicContact CD2-CD1 4.47Å; F87-L93 HydrophobicContact CE1-CD1 3.58Å; F87-L93 HydrophobicContact CE2-CD1 4.39Å; F87-L93 HydrophobicContact CG-CD1 4.12Å; F87-L93 HydrophobicContact CG-CD2 4.08Å; F87-L93 HydrophobicContact CZ-CD1 3.94Å |
| 94 | H | 81.2 | Confident | 85.6 | Confident | 125 Ų | 125 | 78.5 Ų | 78.5 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 113.7 | 177 | -66.9 | 134.4 | 0 | 0 | 0 | 111.7 | V60 | V60-H94 HydrophobicContact CB-CB 4.49Å; V60-H94 HydrophobicContact CG1-CB 3.82Å; V60-H94 HydrophobicContact CG2-CB 3.81Å |
| 95 | V | 81 | Confident | 85.7 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.8 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | A61 F62 V98 | A61-V95 WeakPolarHBondContact CB-O 3.32Å; A61-V95 PolarHBondContact N-O 3.09Å; F62-V95 HydrophobicContact CD2-CB 3.9Å; F62-V95 HydrophobicContact CD2-CG2 3.99Å; F62-V95 HydrophobicContact CE1-CB 4.49Å; F62-V95 HydrophobicContact CE1-CG1 4.38Å; F62-V95 HydrophobicContact CE2-CB 3.6Å; F62-V95 HydrophobicContact CE2-CG1 4.1Å; F62-V95 HydrophobicContact CE2-CG2 3.46Å; F62-V95 VanDerWaalsContact CE2-CG2 3.46Å; F62-V95 HydrophobicContact CG-CB 4.46Å; F62-V95 HydrophobicContact CZ-CB 3.93Å; F62-V95 HydrophobicContact CZ-CG1 3.9Å; F62-V95 HydrophobicContact CZ-CG2 4.09Å; F62-V95 PolarHBondContact N-O 3.39Å; F62-V95 PolarHBondContact O-N 3.24Å; V95-V98 HydrophobicContact CG1-CG2 4.17Å |
| 96 | K | 72.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 85.5 Ų | 85.5 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | trans | -111.6 | -15.9 | -173.3 | -60.9 | -163.2 | 170.4 | -154.9 | 0 | 116.3 | A55 K56 K58 P59 | A55-K96 WeakPolarHBondContact O-CD 3.36Å; K56-K96 PolarHBondContact O-NZ 3.1Å; K58-K96 HydrophobicContact CB-CD 4.5Å; K58-K96 WeakPolarHBondContact O-CD 3.5Å; K58-K96 WeakPolarHBondContact O-CE 3.34Å; K58-K96 PolarHBondContact O-NZ 2.71Å; P59-K96 WeakPolarHBondContact O-CG 3.43Å | ||
| 97 | E | 73.9 | Confident | 86 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | trans | -134.3 | 109.3 | -179.9 | -64.2 | -159.1 | 163.5 | 0 | 0 | 111.3 | K58 R101 | K58-E97 HydrophobicContact CD-CG 4.35Å; K58-E97 WeakPolarHBondContact CE-OE1 3.24Å; K58-E97 IonicContact NZ-OE1 3.22Å; K58-E97 PolarHBondContact NZ-OE1 2.73Å; E97-R101 PolarHBondContact O-NH1 3.42Å | ||
| 98 | V | 76.7 | Confident | 86 | Confident | 38 Ų | 38 | 90.7 Ų | 90.7 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | trans | -114.8 | -53.3 | -172 | -172.7 | 0 | 0 | 0 | 0 | 111 | A61 F62 V95 Q100 R101 L102 | A61-V98 HydrophobicContact CB-CG2 3.63Å; F62-V98 HydrophobicContact CD1-CG2 3.88Å; F62-V98 HydrophobicContact CE1-CB 4.39Å; F62-V98 HydrophobicContact CE1-CG1 3.98Å; F62-V98 HydrophobicContact CE1-CG2 3.44Å; F62-V98 VanDerWaalsContact CE1-CG2 3.44Å; F62-V98 HydrophobicContact CZ-CG2 4.3Å; V95-V98 HydrophobicContact CG1-CG2 4.17Å; V98-Q100 PolarHBondContact O-N 3.13Å; V98-R101 WeakPolarHBondContact O-CA 3.46Å; V98-R101 WeakPolarHBondContact O-CB 3.35Å; V98-R101 PolarHBondContact O-N 3.35Å; V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.07Å; V98-L102 PolarHBondContact O-N 3.32Å | ||
| 99 | L | 81.7 | Confident | 86.1 | Confident | 70 Ų | 70 | 87.7 Ų | 87.7 | 37% | 0.366 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -52.7 | -48 | -174.8 | -178.7 | 59.6 | 0 | 0 | 0 | 113.4 | R101 L102 I103 M118 A121 | L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 2.76Å; L99-L102 PolarHBondContact O-N 3.05Å; L99-I103 HydrophobicContact CD1-CD1 3.8Å; L99-I103 HydrophobicContact CD1-CG1 4.1Å; L99-I103 HydrophobicContact CG-CD1 3.78Å; L99-I103 HydrophobicContact CG-CG1 4.47Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.35Å; L99-I103 PolarHBondContact O-N 2.99Å; L99-M118 HydrophobicContact CB-SD 4.31Å; L99-M118 HydrophobicContact CD2-CE 4.29Å; L99-M118 HydrophobicContact CD2-SD 3.83Å; L99-M118 HydrophobicContact CG-SD 3.97Å; L99-A121 HydrophobicContact CD2-CB 3.4Å; L99-A121 VanDerWaalsContact CD2-CB 3.4Å |
| 100 | Q | 84.4 | Confident | 86 | Confident | 50 Ų | 50 | 88.9 Ų | 88.9 | 23% | 0.234 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 177.7 | -173.5 | -175 | 121.4 | 0 | 0 | 112.5 | V98 K104 L114 M118 | V98-Q100 PolarHBondContact O-N 3.13Å; Q100-K104 HydrophobicContact CG-CD 4.17Å; Q100-K104 WeakPolarHBondContact O-CB 3.5Å; Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 3.23Å; Q100-K104 VanDerWaalsContact O-N 3.11Å; Q100-L114 HydrophobicContact CB-CD1 4.29Å; Q100-L114 HydrophobicContact CG-CD1 3.83Å; Q100-L114 HydrophobicContact CG-CD2 3.93Å; Q100-L114 HydrophobicContact CG-CG 4.5Å; Q100-M118 HydrophobicContact CB-SD 4.33Å |
| 101 | R | 85.1 | Confident | 86 | Confident | 156 Ų | 156 | 83.3 Ų | 83.3 | 59% | 0.589 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -71.2 | -41.5 | 178.9 | -65.3 | -178.6 | 174.3 | 135.9 | -14.9 | 111.1 | E97 V98 L99 K104 S105 | E97-R101 PolarHBondContact O-NH1 3.42Å; V98-R101 WeakPolarHBondContact O-CA 3.46Å; V98-R101 WeakPolarHBondContact O-CB 3.35Å; V98-R101 PolarHBondContact O-N 3.35Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 2.76Å; R101-K104 PolarHBondContact O-N 2.67Å; R101-S105 WeakPolarHBondContact O-CB 3.42Å; R101-S105 PolarHBondContact O-N 3.15Å; R101-S105 PolarHBondContact O-OG 2.71Å |
| 102 | L | 86.6 | Confident | 86.2 | Confident | 98 Ų | 98 | 87 Ų | 87 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 174.4 | -66.9 | 176.4 | 0 | 0 | 0 | 112 | V98 L99 K104 S105 R106 | V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.07Å; V98-L102 PolarHBondContact O-N 3.32Å; L99-L102 PolarHBondContact O-N 3.05Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.27Å; L102-S105 PolarHBondContact O-N 3.44Å; L102-S105 PolarHBondContact O-OG 3.07Å; L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 3.08Å; L102-R106 VanDerWaalsContact O-N 3.14Å |
| 103 | I | 88.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 84.5 Ų | 84.5 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 178.2 | -63.7 | 167.6 | 0 | 0 | 0 | 110.9 | L99 Q110 L114 Q117 | L99-I103 HydrophobicContact CD1-CD1 3.8Å; L99-I103 HydrophobicContact CD1-CG1 4.1Å; L99-I103 HydrophobicContact CG-CD1 3.78Å; L99-I103 HydrophobicContact CG-CG1 4.47Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.35Å; L99-I103 PolarHBondContact O-N 2.99Å; I103-Q110 HydrophobicContact CG2-CB 4.32Å; I103-L114 HydrophobicContact CB-CD1 3.99Å; I103-L114 HydrophobicContact CD1-CD1 3.71Å; I103-L114 HydrophobicContact CG1-CD1 4.46Å; I103-L114 HydrophobicContact CG2-CB 4.09Å; I103-L114 HydrophobicContact CG2-CD1 3.91Å; I103-Q117 HydrophobicContact CD1-CB 3.7Å; I103-Q117 VanDerWaalsContact CD1-OE1 3.27Å; I103-Q117 VanDerWaalsContact CG1-OE1 3.27Å |
| 104 | K | 89.5 | Confident | 86.6 | Confident | 111 Ų | 111 | 83.9 Ų | 83.9 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 176.6 | -75.1 | 173.8 | 173.6 | 178.7 | 0 | 112.5 | Q100 R101 L102 R106 G107 | Q100-K104 HydrophobicContact CG-CD 4.17Å; Q100-K104 WeakPolarHBondContact O-CB 3.5Å; Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 3.23Å; Q100-K104 VanDerWaalsContact O-N 3.11Å; R101-K104 PolarHBondContact O-N 2.67Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.27Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.78Å; K104-G107 PolarHBondContact O-N 2.95Å; K104-G107 VanDerWaalsContact O-N 3.1Å |
| 105 | S | 89.2 | Confident | 87 | Confident | 94 Ų | 94 | 84 Ų | 84 | 66% | 0.657 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.6 | -26.4 | -179.7 | 69.7 | 0 | 0 | 0 | 0 | 113.1 | R101 L102 G107 | R101-S105 WeakPolarHBondContact O-CB 3.42Å; R101-S105 PolarHBondContact O-N 3.15Å; R101-S105 PolarHBondContact O-OG 2.71Å; L102-S105 PolarHBondContact O-N 3.44Å; L102-S105 PolarHBondContact O-OG 3.07Å; S105-G107 PolarHBondContact O-N 3.47Å |
| 106 | R | 91.5 | Very high | 87.7 | Confident | 195 Ų | 195 | 87.1 Ų | 87.1 | 74% | 0.736 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 1.5 | 171 | -62.5 | -78 | -83.8 | -166.8 | -5.6 | 113.7 | L102 K104 Q110 | L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 3.08Å; L102-R106 VanDerWaalsContact O-N 3.14Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.78Å; R106-Q110 HydrophobicContact CB-CB 4.07Å; R106-Q110 HydrophobicContact CB-CG 3.91Å |
| 107 | G | 94 | Very high | 88.6 | Confident | 29 Ų | 29 | 86.8 Ų | 86.8 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | trans | 94.7 | 175.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K104 S105 S109 Q110 A111 | K104-G107 PolarHBondContact O-N 2.95Å; K104-G107 VanDerWaalsContact O-N 3.1Å; S105-G107 PolarHBondContact O-N 3.47Å; G107-S109 PolarHBondContact O-N 2.82Å; G107-S109 VanDerWaalsContact O-N 3.12Å; G107-Q110 PolarHBondContact O-N 3.26Å; G107-A111 PolarHBondContact O-N 3.45Å | ||
| 108 | K | 90.9 | Very high | 89.4 | Confident | 197 Ų | 197 | 86.7 Ų | 86.7 | 86% | 0.857 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.6 | -31.9 | -171.5 | -65.3 | -177.4 | 179.8 | 179.4 | 0 | 113.9 | Q110 K112 | K108-Q110 VanDerWaalsContact C-N 3.33Å; K108-Q110 PolarHBondContact O-N 2.94Å; K108-K112 PolarHBondContact O-N 3.14Å |
| 109 | S | 93.7 | Very high | 90 | Very high | 82 Ų | 82 | 88.8 Ų | 88.8 | 57% | 0.573 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.2 | -25.5 | 177.7 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | G107 K112 | G107-S109 PolarHBondContact O-N 2.82Å; G107-S109 VanDerWaalsContact O-N 3.12Å; S109-K112 WeakPolarHBondContact O-CE 3.38Å; S109-K112 WeakPolarHBondContact O-CG 3.23Å |
| 110 | Q | 92.8 | Very high | 90.3 | Very high | 71 Ų | 71 | 88 Ų | 88 | 33% | 0.332 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -93 | -38.5 | 171.2 | -74.6 | -68.1 | -3.8 | 0 | 0 | 111.7 | I103 R106 G107 K108 K112 H113 | I103-Q110 HydrophobicContact CG2-CB 4.32Å; R106-Q110 HydrophobicContact CB-CB 4.07Å; R106-Q110 HydrophobicContact CB-CG 3.91Å; G107-Q110 PolarHBondContact O-N 3.26Å; K108-Q110 VanDerWaalsContact C-N 3.33Å; K108-Q110 PolarHBondContact O-N 2.94Å; Q110-K112 PolarHBondContact O-N 3.23Å; Q110-K112 VanDerWaalsContact O-N 3.13Å; Q110-H113 WeakPolarHBondContact O-CA 3.35Å; Q110-H113 PolarHBondContact O-N 3.28Å |
| 111 | A | 91.3 | Very high | 90.3 | Very high | 41 Ų | 41 | 87.1 Ų | 87.1 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -55.8 | -33 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G107 H113 L114 | G107-A111 PolarHBondContact O-N 3.45Å; A111-H113 PolarHBondContact O-N 3.04Å; A111-L114 VanDerWaalsContact O-CB 3.28Å; A111-L114 WeakPolarHBondContact O-CB 3.28Å; A111-L114 PolarHBondContact O-N 3.33Å |
| 112 | K | 92.9 | Very high | 90.3 | Very high | 149 Ų | 149 | 83.5 Ų | 83.5 | 65% | 0.648 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.4 | 172.8 | 57.2 | 153.8 | 175.9 | 153.6 | 0 | 114.7 | K108 S109 Q110 | K108-K112 PolarHBondContact O-N 3.14Å; S109-K112 WeakPolarHBondContact O-CE 3.38Å; S109-K112 WeakPolarHBondContact O-CG 3.23Å; Q110-K112 PolarHBondContact O-N 3.23Å; Q110-K112 VanDerWaalsContact O-N 3.13Å |
| 113 | H | 90.6 | Very high | 90.3 | Very high | 80 Ų | 80 | 85.4 Ų | 85.4 | 37% | 0.37 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 10.6 | -179.8 | -64.3 | -51.1 | 0 | 0 | 0 | 113 | Q110 A111 N115 V116 Q117 | Q110-H113 WeakPolarHBondContact O-CA 3.35Å; Q110-H113 PolarHBondContact O-N 3.28Å; A111-H113 PolarHBondContact O-N 3.04Å; H113-N115 VanDerWaalsContact C-N 3.35Å; H113-N115 PolarHBondContact O-N 3.37Å; H113-V116 HydrophobicContact CB-CG1 4.06Å; H113-V116 WeakPolarHBondContact O-CG1 3.5Å; H113-V116 PolarHBondContact O-N 3Å; H113-Q117 PolarHBondContact O-N 2.86Å |
| 114 | L | 89.3 | Confident | 90.3 | Very high | 22 Ų | 22 | 90.1 Ų | 90.1 | 12% | 0.115 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -52 | -47.9 | -178.4 | 172.2 | 60.6 | 0 | 0 | 0 | 113.3 | Q100 I103 A111 V116 Q117 M118 | Q100-L114 HydrophobicContact CB-CD1 4.29Å; Q100-L114 HydrophobicContact CG-CD1 3.83Å; Q100-L114 HydrophobicContact CG-CD2 3.93Å; Q100-L114 HydrophobicContact CG-CG 4.5Å; I103-L114 HydrophobicContact CB-CD1 3.99Å; I103-L114 HydrophobicContact CD1-CD1 3.71Å; I103-L114 HydrophobicContact CG1-CD1 4.46Å; I103-L114 HydrophobicContact CG2-CB 4.09Å; I103-L114 HydrophobicContact CG2-CD1 3.91Å; A111-L114 VanDerWaalsContact O-CB 3.28Å; A111-L114 WeakPolarHBondContact O-CB 3.28Å; A111-L114 PolarHBondContact O-N 3.33Å; L114-V116 PolarHBondContact O-N 3.37Å; L114-Q117 PolarHBondContact O-N 2.93Å; L114-M118 HydrophobicContact CD1-CG 3.78Å; L114-M118 HydrophobicContact CD1-SD 4.35Å; L114-M118 HydrophobicContact CG-CG 4.38Å; L114-M118 WeakPolarHBondContact O-CG 3.19Å; L114-M118 PolarHBondContact O-N 3.2Å |
| 115 | N | 90.8 | Very high | 89.9 | Confident | 129 Ų | 129 | 89 Ų | 89 | 69% | 0.69 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.9 | -37.4 | -173.9 | -66.5 | -8.6 | 0 | 0 | 0 | 112.9 | H113 V119 | H113-N115 VanDerWaalsContact C-N 3.35Å; H113-N115 PolarHBondContact O-N 3.37Å; N115-V119 VanDerWaalsContact O-CG2 3.31Å; N115-V119 WeakPolarHBondContact O-CG2 3.45Å; N115-V119 PolarHBondContact O-N 3.11Å |
| 116 | V | 95.3 | Very high | 89.6 | Confident | 95 Ų | 95 | 91.9 Ų | 91.9 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.1 | -36 | 178.3 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | H113 L114 V119 A120 | H113-V116 HydrophobicContact CB-CG1 4.06Å; H113-V116 WeakPolarHBondContact O-CG1 3.5Å; H113-V116 PolarHBondContact O-N 3Å; L114-V116 PolarHBondContact O-N 3.37Å; V116-V119 PolarHBondContact O-N 3.1Å; V116-A120 WeakPolarHBondContact O-CB 3.43Å; V116-A120 PolarHBondContact O-N 3.23Å |
| 117 | Q | 91.9 | Very high | 89.4 | Confident | 64 Ų | 64 | 84.9 Ų | 84.9 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 174.8 | -67.1 | 176.9 | 25.3 | 0 | 0 | 111.7 | I103 H113 L114 A120 A121 | I103-Q117 HydrophobicContact CD1-CB 3.7Å; I103-Q117 VanDerWaalsContact CD1-OE1 3.27Å; I103-Q117 VanDerWaalsContact CG1-OE1 3.27Å; H113-Q117 PolarHBondContact O-N 2.86Å; L114-Q117 PolarHBondContact O-N 2.93Å; Q117-A120 PolarHBondContact O-N 3.46Å; Q117-A121 PolarHBondContact O-N 2.91Å |
| 118 | M | 90.9 | Very high | 89.1 | Confident | 42 Ų | 42 | 87 Ų | 87 | 21% | 0.207 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 172.8 | -72.7 | -56 | -40.5 | 0 | 0 | 112.2 | L99 Q100 L114 A120 A121 D122 | L99-M118 HydrophobicContact CB-SD 4.31Å; L99-M118 HydrophobicContact CD2-CE 4.29Å; L99-M118 HydrophobicContact CD2-SD 3.83Å; L99-M118 HydrophobicContact CG-SD 3.97Å; Q100-M118 HydrophobicContact CB-SD 4.33Å; L114-M118 HydrophobicContact CD1-CG 3.78Å; L114-M118 HydrophobicContact CD1-SD 4.35Å; L114-M118 HydrophobicContact CG-CG 4.38Å; L114-M118 WeakPolarHBondContact O-CG 3.19Å; L114-M118 PolarHBondContact O-N 3.2Å; M118-A120 VanDerWaalsContact C-N 3.27Å; M118-A120 PolarHBondContact O-N 3.02Å; M118-A121 PolarHBondContact O-N 3.4Å; M118-D122 WeakPolarHBondContact O-CB 3.39Å; M118-D122 PolarHBondContact O-N 2.88Å |
| 119 | V | 89.8 | Confident | 88.7 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.5 | -30.8 | 178.9 | 169.7 | 0 | 0 | 0 | 0 | 112.3 | N115 V116 K123 | N115-V119 VanDerWaalsContact O-CG2 3.31Å; N115-V119 WeakPolarHBondContact O-CG2 3.45Å; N115-V119 PolarHBondContact O-N 3.11Å; V116-V119 PolarHBondContact O-N 3.1Å; V119-K123 WeakPolarHBondContact O-CB 3.29Å; V119-K123 VanDerWaalsContact O-CG 3.31Å; V119-K123 WeakPolarHBondContact O-CG 3.43Å; V119-K123 PolarHBondContact O-N 3.12Å; V119-K123 VanDerWaalsContact O-N 3.16Å |
| 120 | A | 87.4 | Confident | 88.4 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.5 | -45.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | V116 Q117 M118 K123 L124 | V116-A120 WeakPolarHBondContact O-CB 3.43Å; V116-A120 PolarHBondContact O-N 3.23Å; Q117-A120 PolarHBondContact O-N 3.46Å; M118-A120 VanDerWaalsContact C-N 3.27Å; M118-A120 PolarHBondContact O-N 3.02Å; A120-K123 PolarHBondContact O-N 3.39Å; A120-L124 PolarHBondContact O-N 3.44Å; A120-L124 VanDerWaalsContact O-N 3.12Å |
| 121 | A | 85.1 | Confident | 88.4 | Confident | 33 Ų | 33 | 88.8 Ų | 88.8 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L99 Q117 M118 K123 L124 A125 | L99-A121 HydrophobicContact CD2-CB 3.4Å; L99-A121 VanDerWaalsContact CD2-CB 3.4Å; Q117-A121 PolarHBondContact O-N 2.91Å; M118-A121 PolarHBondContact O-N 3.4Å; A121-K123 PolarHBondContact O-N 3.22Å; A121-L124 PolarHBondContact O-N 2.9Å; A121-L124 VanDerWaalsContact O-N 3.15Å; A121-A125 PolarHBondContact O-N 3.15Å |
| 122 | D | 84.3 | Confident | 88.4 | Confident | 80 Ų | 80 | 90.5 Ų | 90.5 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 176.1 | -72.8 | -13.4 | 0 | 0 | 0 | 111.3 | M118 Q126 | M118-D122 WeakPolarHBondContact O-CB 3.39Å; M118-D122 PolarHBondContact O-N 2.88Å; D122-Q126 WeakPolarHBondContact O-CG 3.4Å; D122-Q126 PolarHBondContact O-N 3.37Å; D122-Q126 PolarHBondContact O-NE2 3.44Å |
| 123 | K | 87 | Confident | 88.4 | Confident | 138 Ų | 138 | 90.1 Ų | 90.1 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.8 | -43.9 | 174.3 | -83.7 | -178.4 | 173.8 | -168.3 | 0 | 112.9 | V119 A120 A121 A125 Q126 C127 | V119-K123 WeakPolarHBondContact O-CB 3.29Å; V119-K123 VanDerWaalsContact O-CG 3.31Å; V119-K123 WeakPolarHBondContact O-CG 3.43Å; V119-K123 PolarHBondContact O-N 3.12Å; V119-K123 VanDerWaalsContact O-N 3.16Å; A120-K123 PolarHBondContact O-N 3.39Å; A121-K123 PolarHBondContact O-N 3.22Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 2.96Å; K123-Q126 WeakPolarHBondContact O-CB 3.33Å; K123-Q126 PolarHBondContact O-N 3.08Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; K123-C127 PolarHBondContact O-N 3.02Å |
| 124 | L | 87.3 | Confident | 88.5 | Confident | 107 Ų | 107 | 88.5 Ų | 88.5 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 175.9 | -69.3 | 170.4 | 0 | 0 | 0 | 111 | A120 A121 Q126 C127 F132 | A120-L124 PolarHBondContact O-N 3.44Å; A120-L124 VanDerWaalsContact O-N 3.12Å; A121-L124 PolarHBondContact O-N 2.9Å; A121-L124 VanDerWaalsContact O-N 3.15Å; L124-Q126 PolarHBondContact O-N 3.32Å; L124-C127 WeakPolarHBondContact O-CB 3.28Å; L124-C127 PolarHBondContact O-N 2.98Å; L124-C127 VanDerWaalsContact O-N 3.14Å; L124-F132 HydrophobicContact CD2-CE1 4.31Å; L124-F132 HydrophobicContact CD2-CZ 4.22Å |
| 125 | A | 82 | Confident | 88.6 | Confident | 86 Ų | 86 | 91.4 Ų | 91.4 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A121 K123 | A121-A125 PolarHBondContact O-N 3.15Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 2.96Å |
| 126 | Q | 83.4 | Confident | 88.7 | Confident | 155 Ų | 155 | 89.1 Ų | 89.1 | 72% | 0.724 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -11.5 | 171.2 | -80.3 | 166.1 | 81.3 | 0 | 0 | 112.9 | D122 K123 L124 | D122-Q126 WeakPolarHBondContact O-CG 3.4Å; D122-Q126 PolarHBondContact O-N 3.37Å; D122-Q126 PolarHBondContact O-NE2 3.44Å; K123-Q126 WeakPolarHBondContact O-CB 3.33Å; K123-Q126 PolarHBondContact O-N 3.08Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; L124-Q126 PolarHBondContact O-N 3.32Å |
| 127 | C | 86.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 91.4 Ų | 91.4 | 32% | 0.324 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -72.4 | 142.1 | 169.1 | -66.9 | 0 | 0 | 0 | 0 | 109.6 | K123 L124 L131 F132 | K123-C127 PolarHBondContact O-N 3.02Å; L124-C127 WeakPolarHBondContact O-CB 3.28Å; L124-C127 PolarHBondContact O-N 2.98Å; L124-C127 VanDerWaalsContact O-N 3.14Å; C127-L131 HydrophobicContact CB-CD2 4.34Å; C127-F132 HydrophobicContact CB-CE2 3.69Å; C127-F132 HydrophobicContact CB-CZ 3.7Å |
| 128 | P | 89.1 | Confident | 88.3 | Confident | 73 Ų | 73 | 91 Ų | 91 | 47% | 0.474 | 50% | 0.5 | S | S | . | . | trans | -63.7 | 142.2 | 172 | 28 | -33.3 | 0 | 0 | 0 | 109.7 | E130 L131 | P128-E130 PolarHBondContact O-N 3.19Å; P128-L131 HydrophobicContact CG-CB 4.33Å; P128-L131 WeakPolarHBondContact O-CB 3.37Å; P128-L131 PolarHBondContact O-N 3.04Å; P128-L131 VanDerWaalsContact O-N 3.08Å | ||
| 129 | P | 80.8 | Confident | 87.8 | Confident | 85 Ų | 85 | 94 Ų | 94 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -61.4 | -28.3 | -179.1 | 24.8 | -33.8 | 0 | 0 | 0 | 112.3 | L131 F132 I135 | P129-L131 PolarHBondContact O-N 3.14Å; P129-F132 PolarHBondContact O-N 3.25Å; P129-I135 HydrophobicContact CB-CD1 3.61Å |
| 130 | E | 88.4 | Confident | 87.7 | Confident | 185 Ų | 185 | 95.1 Ų | 95.1 | 86% | 0.864 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -60 | -9.1 | 174.9 | -58.4 | 174.8 | 177.9 | 0 | 0 | 114.6 | P128 | P128-E130 PolarHBondContact O-N 3.19Š|
| 131 | L | 91.8 | Very high | 87.5 | Confident | 118 Ų | 118 | 98.6 Ų | 98.6 | 62% | 0.618 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -88.2 | -7.4 | 175 | -169.3 | 59.9 | 0 | 0 | 0 | 113.3 | C127 P128 P129 | C127-L131 HydrophobicContact CB-CD2 4.34Å; P128-L131 HydrophobicContact CG-CB 4.33Å; P128-L131 WeakPolarHBondContact O-CB 3.37Å; P128-L131 PolarHBondContact O-N 3.04Å; P128-L131 VanDerWaalsContact O-N 3.08Å; P129-L131 PolarHBondContact O-N 3.14Å |
| 132 | F | 92.6 | Very high | 87.7 | Confident | 78 Ų | 78 | 103.1 Ų | 103.1 | 34% | 0.342 | 54% | 0.543 | S | S | . | . | trans | -117.7 | 125.6 | -177.5 | -53.2 | -79.2 | 0 | 0 | 0 | 110.4 | L124 C127 P129 V134 I135 | L124-F132 HydrophobicContact CD2-CE1 4.31Å; L124-F132 HydrophobicContact CD2-CZ 4.22Å; C127-F132 HydrophobicContact CB-CE2 3.69Å; C127-F132 HydrophobicContact CB-CZ 3.7Å; P129-F132 PolarHBondContact O-N 3.25Å; F132-V134 VanDerWaalsContact C-N 3.25Å; F132-V134 PolarHBondContact O-N 3.26Å; F132-I135 HydrophobicContact CB-CD1 4.32Å; F132-I135 HydrophobicContact CB-CG1 3.86Å; F132-I135 HydrophobicContact CD2-CD1 4.25Å; F132-I135 HydrophobicContact CD2-CG1 4.47Å; F132-I135 HydrophobicContact CG-CG1 4.46Å | ||
| 133 | D | 91.6 | Very high | 88.1 | Confident | 141 Ų | 141 | 103.2 Ų | 103.2 | 75% | 0.754 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -67.5 | -27 | 179.3 | -50.3 | -80.7 | 0 | 0 | 0 | 112.8 | Y151 | D133-Y151 WeakPolarHBondContact O-CE2 2.97Š|
| 134 | V | 93.4 | Very high | 88 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 28% | 0.279 | 52% | 0.523 | S | S | . | . | trans | -140.9 | 138.5 | 176.5 | -170.4 | 0 | 0 | 0 | 0 | 109 | F132 L136 Y151 | F132-V134 VanDerWaalsContact C-N 3.25Å; F132-V134 PolarHBondContact O-N 3.26Å; V134-L136 HydrophobicContact CG1-CD2 3.95Å; V134-L136 HydrophobicContact CG1-CG 4.26Å; V134-Y151 HydrophobicContact CG2-CD1 3.32Å; V134-Y151 HydrophobicContact CG2-CD2 3.72Å; V134-Y151 HydrophobicContact CG2-CE1 3.44Å; V134-Y151 VanDerWaalsContact CG2-CE1 3.44Å; V134-Y151 HydrophobicContact CG2-CE2 3.82Å; V134-Y151 HydrophobicContact CG2-CG 3.48Å; V134-Y151 VanDerWaalsContact CG2-CG 3.48Å | ||
| 135 | I | 91.8 | Very high | 88.4 | Confident | 83 Ų | 83 | 95.8 Ų | 95.8 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | trans | -127.3 | 123.7 | 170.1 | -58.8 | 176.9 | 0 | 0 | 0 | 107 | P129 F132 H147 | P129-I135 HydrophobicContact CB-CD1 3.61Å; F132-I135 HydrophobicContact CB-CD1 4.32Å; F132-I135 HydrophobicContact CB-CG1 3.86Å; F132-I135 HydrophobicContact CD2-CD1 4.25Å; F132-I135 HydrophobicContact CD2-CG1 4.47Å; F132-I135 HydrophobicContact CG-CG1 4.46Å; I135-H147 PolarHBondContact O-CE1 3.33Å | ||
| 136 | L | 92.4 | Very high | 89.1 | Confident | 80 Ų | 80 | 98 Ų | 98 | 42% | 0.419 | 51% | 0.514 | S | S | . | . | trans | -106.1 | 114.5 | 174.3 | -57.6 | 178.5 | 0 | 0 | 0 | 108.1 | V134 E138 H147 L148 | V134-L136 HydrophobicContact CG1-CD2 3.95Å; V134-L136 HydrophobicContact CG1-CG 4.26Å; L136-E138 VanDerWaalsContact CA-OE2 3.23Å; L136-E138 WeakPolarHBondContact CA-OE2 3.41Å; L136-E138 WeakPolarHBondContact CB-OE2 3.43Å; L136-H147 HydrophobicContact CD2-CB 4.06Å; L136-L148 HydrophobicContact CD1-CB 4.45Å; L136-L148 HydrophobicContact CD2-CB 4.47Å | ||
| 137 | D | 89 | Confident | 89.8 | Confident | 143 Ų | 143 | 94.1 Ų | 94.1 | 77% | 0.765 | 50% | 0.496 | S | S | * | . | trans | -115.6 | 4.8 | 175.8 | 76.8 | -18 | 0 | 0 | 0 | 113.2 | ||||
| 138 | E | 90.1 | Very high | 90.3 | Very high | 55 Ų | 55 | 95.3 Ų | 95.3 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | trans | -69.9 | 138.4 | -179.3 | -52.3 | 76.7 | -171.2 | 0 | 0 | 111.9 | L136 D143 A144 H147 | L136-E138 VanDerWaalsContact CA-OE2 3.23Å; L136-E138 WeakPolarHBondContact CA-OE2 3.41Å; L136-E138 WeakPolarHBondContact CB-OE2 3.43Å; E138-D143 HydrophobicContact CB-CB 3.86Å; E138-D143 HydrophobicContact CG-CB 3.93Å; E138-A144 HydrophobicContact CB-CB 4.09Å; E138-H147 IonicContact OE1-CE1 2.71Å; E138-H147 IonicContact OE1-CG 3.87Å; E138-H147 IonicContact OE1-ND1 2.73Å; E138-H147 PolarHBondContact OE1-ND1 2.91Å | ||
| 139 | N | 80.8 | Confident | 90.6 | Very high | 107 Ų | 107 | 94.5 Ų | 94.5 | 57% | 0.572 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -88.7 | -15 | -178.8 | -177.2 | 96.7 | 0 | 0 | 0 | 113.3 | ||
| 140 | Q | 87 | Confident | 91.4 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -99.1 | 153.6 | 175.4 | -49.7 | -62.6 | 8.4 | 0 | 0 | 110.9 | D143 A144 | Q140-D143 HydrophobicContact CB-CB 4.32Å; Q140-D143 WeakPolarHBondContact CB-OD2 3.16Å; Q140-D143 WeakPolarHBondContact CG-OD2 3.5Å; Q140-A144 WeakPolarHBondContact O-CB 3.31Å; Q140-A144 PolarHBondContact O-N 3.32Å |
| 141 | L | 84.1 | Confident | 91.8 | Very high | 124 Ų | 124 | 90.3 Ų | 90.3 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70 | -40.3 | 178 | 176.9 | 62.2 | 0 | 0 | 0 | 110.9 | C145 | L141-C145 VanDerWaalsContact O-CB 3.28Å; L141-C145 WeakPolarHBondContact O-CB 3.28Å; L141-C145 PolarHBondContact O-N 3.19Å; L141-C145 PolarHBondContact O-SG 3.33Å; L141-C145 VanDerWaalsContact O-SG 3.32Å |
| 142 | E | 89.6 | Confident | 92.1 | Very high | 128 Ų | 128 | 89.1 Ų | 89.1 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.8 | -55.8 | -177.8 | -66.1 | 69.7 | -159.2 | 0 | 0 | 110.6 | A144 C145 E146 | E142-A144 PolarHBondContact O-N 3.16Å; E142-C145 PolarHBondContact O-N 3.06Å; E142-C145 VanDerWaalsContact O-N 3.15Å; E142-E146 PolarHBondContact O-N 3.4Å |
| 143 | D | 90.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 90.3 Ų | 90.3 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 178.3 | -49 | -10.5 | 0 | 0 | 0 | 111.8 | E138 Q140 C145 E146 H147 | E138-D143 HydrophobicContact CB-CB 3.86Å; E138-D143 HydrophobicContact CG-CB 3.93Å; Q140-D143 HydrophobicContact CB-CB 4.32Å; Q140-D143 WeakPolarHBondContact CB-OD2 3.16Å; Q140-D143 WeakPolarHBondContact CG-OD2 3.5Å; D143-C145 VanDerWaalsContact C-N 3.34Å; D143-C145 PolarHBondContact O-N 3.15Å; D143-E146 PolarHBondContact O-N 3.12Å; D143-H147 PolarHBondContact O-N 3.26Å; D143-H147 VanDerWaalsContact O-N 3.07Å |
| 144 | A | 86.3 | Confident | 92.4 | Very high | 19 Ų | 19 | 86.3 Ų | 86.3 | 16% | 0.157 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E138 Q140 E142 L148 | E138-A144 HydrophobicContact CB-CB 4.09Å; Q140-A144 WeakPolarHBondContact O-CB 3.31Å; Q140-A144 PolarHBondContact O-N 3.32Å; E142-A144 PolarHBondContact O-N 3.16Å; A144-L148 WeakPolarHBondContact O-CB 3.31Å; A144-L148 PolarHBondContact O-N 3.21Å |
| 145 | C | 96.2 | Very high | 92.6 | Very high | 70 Ų | 70 | 90.5 Ų | 90.5 | 47% | 0.473 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.9 | -34.1 | 175.2 | -79 | 0 | 0 | 0 | 0 | 112.4 | L141 E142 D143 A149 | L141-C145 VanDerWaalsContact O-CB 3.28Å; L141-C145 WeakPolarHBondContact O-CB 3.28Å; L141-C145 PolarHBondContact O-N 3.19Å; L141-C145 PolarHBondContact O-SG 3.33Å; L141-C145 VanDerWaalsContact O-SG 3.32Å; E142-C145 PolarHBondContact O-N 3.06Å; E142-C145 VanDerWaalsContact O-N 3.15Å; D143-C145 VanDerWaalsContact C-N 3.34Å; D143-C145 PolarHBondContact O-N 3.15Å; C145-A149 VanDerWaalsContact O-CB 3.29Å; C145-A149 WeakPolarHBondContact O-CB 3.48Å; C145-A149 PolarHBondContact O-N 3.43Å |
| 146 | E | 96.9 | Very high | 92.8 | Very high | 133 Ų | 133 | 94.1 Ų | 94.1 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.4 | -50.1 | 175.3 | -172.2 | 166.1 | -142.5 | 0 | 0 | 110.8 | E142 D143 L148 A149 D150 | E142-E146 PolarHBondContact O-N 3.4Å; D143-E146 PolarHBondContact O-N 3.12Å; E146-L148 PolarHBondContact O-N 3.02Å; E146-A149 PolarHBondContact O-N 3.48Å; E146-A149 VanDerWaalsContact O-N 3.12Å; E146-D150 PolarHBondContact O-N 3.41Å |
| 147 | H | 96.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 96.2 Ų | 96.2 | 34% | 0.343 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 176.1 | -177.6 | -174.8 | 0 | 0 | 0 | 112.3 | I135 L136 E138 D143 A149 D150 Y151 | I135-H147 PolarHBondContact O-CE1 3.33Å; L136-H147 HydrophobicContact CD2-CB 4.06Å; E138-H147 IonicContact OE1-CE1 2.71Å; E138-H147 IonicContact OE1-CG 3.87Å; E138-H147 IonicContact OE1-ND1 2.73Å; E138-H147 PolarHBondContact OE1-ND1 2.91Å; D143-H147 PolarHBondContact O-N 3.26Å; D143-H147 VanDerWaalsContact O-N 3.07Å; H147-A149 VanDerWaalsContact C-N 3.33Å; H147-A149 PolarHBondContact O-N 3.03Å; H147-D150 PolarHBondContact O-N 3.28Å; H147-Y151 PolarHBondContact O-N 2.86Å |
| 148 | L | 96.7 | Very high | 93.2 | Very high | 72 Ų | 72 | 93.4 Ų | 93.4 | 38% | 0.377 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.2 | -177.6 | 60.7 | 0 | 0 | 0 | 112.5 | L136 A144 E146 L152 | L136-L148 HydrophobicContact CD1-CB 4.45Å; L136-L148 HydrophobicContact CD2-CB 4.47Å; A144-L148 WeakPolarHBondContact O-CB 3.31Å; A144-L148 PolarHBondContact O-N 3.21Å; E146-L148 PolarHBondContact O-N 3.02Å; L148-L152 HydrophobicContact CD1-CD1 4.16Å; L148-L152 HydrophobicContact CD1-CG 4.4Å; L148-L152 HydrophobicContact CG-CD1 4.14Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 2.98Å; L148-L152 VanDerWaalsContact O-N 3.15Å |
| 149 | A | 96.3 | Very high | 93.4 | Very high | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C145 E146 H147 Y151 L152 E153 | C145-A149 VanDerWaalsContact O-CB 3.29Å; C145-A149 WeakPolarHBondContact O-CB 3.48Å; C145-A149 PolarHBondContact O-N 3.43Å; E146-A149 PolarHBondContact O-N 3.48Å; E146-A149 VanDerWaalsContact O-N 3.12Å; H147-A149 VanDerWaalsContact C-N 3.33Å; H147-A149 PolarHBondContact O-N 3.03Å; A149-Y151 PolarHBondContact O-N 3.13Å; A149-L152 PolarHBondContact O-N 3.12Å; A149-E153 PolarHBondContact O-N 3.17Å |
| 150 | D | 97.6 | Very high | 93.8 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 57% | 0.572 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.9 | -44.1 | 177.8 | -98.4 | 2.7 | 0 | 0 | 0 | 111.8 | E146 H147 E153 A154 | E146-D150 PolarHBondContact O-N 3.41Å; H147-D150 PolarHBondContact O-N 3.28Å; D150-E153 PolarHBondContact O-N 3.31Å; D150-A154 WeakPolarHBondContact O-CB 3.44Å; D150-A154 PolarHBondContact O-N 2.95Å |
| 151 | Y | 97.5 | Very high | 93.6 | Very high | 74 Ų | 74 | 90.4 Ų | 90.4 | 29% | 0.29 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 174.3 | 176.1 | -92.1 | 0 | 0 | 0 | 111.6 | D133 V134 H147 A149 E153 A154 Y155 | D133-Y151 WeakPolarHBondContact O-CE2 2.97Å; V134-Y151 HydrophobicContact CG2-CD1 3.32Å; V134-Y151 HydrophobicContact CG2-CD2 3.72Å; V134-Y151 HydrophobicContact CG2-CE1 3.44Å; V134-Y151 VanDerWaalsContact CG2-CE1 3.44Å; V134-Y151 HydrophobicContact CG2-CE2 3.82Å; V134-Y151 HydrophobicContact CG2-CG 3.48Å; V134-Y151 VanDerWaalsContact CG2-CG 3.48Å; H147-Y151 PolarHBondContact O-N 2.86Å; A149-Y151 PolarHBondContact O-N 3.13Å; Y151-E153 PolarHBondContact O-N 3.32Å; Y151-A154 PolarHBondContact O-N 3.17Å; Y151-Y155 WeakPolarHBondContact O-CB 3.37Å; Y151-Y155 PolarHBondContact O-N 3.35Å |
| 152 | L | 97.1 | Very high | 93.1 | Very high | 93 Ų | 93 | 90.2 Ų | 90.2 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.6 | -34 | -179 | -71.2 | 172.8 | 0 | 0 | 0 | 112.3 | L148 A149 W156 | L148-L152 HydrophobicContact CD1-CD1 4.16Å; L148-L152 HydrophobicContact CD1-CG 4.4Å; L148-L152 HydrophobicContact CG-CD1 4.14Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 2.98Å; L148-L152 VanDerWaalsContact O-N 3.15Å; A149-L152 PolarHBondContact O-N 3.12Å; L152-W156 VanDerWaalsContact O-CB 3.24Å; L152-W156 WeakPolarHBondContact O-CB 3.23Å; L152-W156 PolarHBondContact O-N 3.19Å |
| 153 | E | 95.5 | Very high | 92 | Very high | 104 Ų | 104 | 88.6 Ų | 88.6 | 49% | 0.486 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.3 | -36.8 | 174.7 | -159.2 | -176.3 | 135.3 | 0 | 0 | 111.6 | A149 D150 Y151 W156 K157 | A149-E153 PolarHBondContact O-N 3.17Å; D150-E153 PolarHBondContact O-N 3.31Å; Y151-E153 PolarHBondContact O-N 3.32Å; E153-W156 PolarHBondContact O-N 2.75Å; E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 HydrophobicContact CG-CD 4.42Å; E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 WeakPolarHBondContact O-CD 3.29Å; E153-K157 VanDerWaalsContact O-CG 3.23Å; E153-K157 WeakPolarHBondContact O-CG 3.45Å; E153-K157 PolarHBondContact O-N 2.9Å; E153-K157 WeakPolarHBondContact OE1-CE 3.36Å; E153-K157 IonicContact OE1-NZ 2.67Å; E153-K157 PolarHBondContact OE1-NZ 2.87Å |
| 154 | A | 96.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 88.3 Ų | 88.3 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | D150 Y151 W156 K157 A158 | D150-A154 WeakPolarHBondContact O-CB 3.44Å; D150-A154 PolarHBondContact O-N 2.95Å; Y151-A154 PolarHBondContact O-N 3.17Å; A154-W156 VanDerWaalsContact C-N 3.35Å; A154-W156 PolarHBondContact O-N 3.38Å; A154-K157 PolarHBondContact O-N 2.91Å; A154-A158 WeakPolarHBondContact O-CB 3.24Å; A154-A158 PolarHBondContact O-N 3.49Å |
| 155 | Y | 96.9 | Very high | 89.3 | Confident | 134 Ų | 134 | 91.2 Ų | 91.2 | 53% | 0.525 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 174.4 | -178.2 | -95 | 0 | 0 | 0 | 112 | Y151 A158 T159 | Y151-Y155 WeakPolarHBondContact O-CB 3.37Å; Y151-Y155 PolarHBondContact O-N 3.35Å; Y155-A158 PolarHBondContact O-N 3.32Å; Y155-T159 HydrophobicContact CD1-CG2 4.35Å; Y155-T159 HydrophobicContact CE1-CG2 3.88Å; Y155-T159 HydrophobicContact CE2-CG2 4.25Å; Y155-T159 WeakPolarHBondContact O-CG2 3.46Å; Y155-T159 PolarHBondContact O-N 2.83Å; Y155-T159 PolarHBondContact O-OG1 2.84Å |
| 156 | W | 95.6 | Very high | 87.7 | Confident | 158 Ų | 158 | 95.3 Ų | 95.3 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.9 | -47.4 | 174.2 | -176.3 | -91.6 | 0 | 0 | 0 | 111.8 | L152 E153 A154 A158 T159 H160 | L152-W156 VanDerWaalsContact O-CB 3.24Å; L152-W156 WeakPolarHBondContact O-CB 3.23Å; L152-W156 PolarHBondContact O-N 3.19Å; E153-W156 PolarHBondContact O-N 2.75Å; A154-W156 VanDerWaalsContact C-N 3.35Å; A154-W156 PolarHBondContact O-N 3.38Å; W156-A158 VanDerWaalsContact C-N 3.3Å; W156-A158 PolarHBondContact O-N 3.48Å; W156-T159 WeakPolarHBondContact CA-OG1 3Å; W156-T159 PolarHBondContact O-N 2.97Å; W156-T159 PolarHBondContact O-OG1 2.6Å; W156-T159 VanDerWaalsContact O-OG1 3.06Å; W156-H160 AromaticContact CD2-CE1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.49Å; W156-H160 AromaticContact CE2-CE1 3.84Å; W156-H160 AromaticContact CE2-CG 3.72Å; W156-H160 AromaticContact CE2-ND1 3.56Å; W156-H160 AromaticContact CE3-CE1 3.51Å; W156-H160 AromaticContact CE3-ND1 3.69Å; W156-H160 AromaticContact CH2-CE1 3.45Å; W156-H160 VanDerWaalsContact CH2-CE1 3.45Å; W156-H160 WeakPolarHBondContact CH2-CE1 3.32Å; W156-H160 AromaticContact CH2-NE2 3.45Å; W156-H160 WeakPolarHBondContact CH2-NE2 3.34Å; W156-H160 AromaticContact CZ2-CD2 3.74Å; W156-H160 AromaticContact CZ2-CE1 3.71Å; W156-H160 AromaticContact CZ2-CG 3.87Å; W156-H160 AromaticContact CZ2-ND1 3.85Å; W156-H160 AromaticContact CZ2-NE2 3.65Å; W156-H160 AromaticContact CZ3-CE1 3.35Å; W156-H160 WeakPolarHBondContact CZ3-CE1 3.27Å; W156-H160 AromaticContact CZ3-ND1 3.96Å; W156-H160 AromaticContact CZ3-NE2 3.83Å; W156-H160 AromaticContact NE1-CG 3.96Å; W156-H160 WeakPolarHBondContact O-CB 3.22Å; W156-H160 PolarHBondContact O-N 3.15Å; W156-H160 PolarHBondContact O-ND1 3.42Å |
| 157 | K | 94.1 | Very high | 86.2 | Confident | 125 Ų | 125 | 93.8 Ų | 93.8 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 176 | -73.1 | 161.4 | -177.3 | 156.9 | 0 | 112.7 | E153 A154 | E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 HydrophobicContact CG-CD 4.42Å; E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 WeakPolarHBondContact O-CD 3.29Å; E153-K157 VanDerWaalsContact O-CG 3.23Å; E153-K157 WeakPolarHBondContact O-CG 3.45Å; E153-K157 PolarHBondContact O-N 2.9Å; E153-K157 WeakPolarHBondContact OE1-CE 3.36Å; E153-K157 IonicContact OE1-NZ 2.67Å; E153-K157 PolarHBondContact OE1-NZ 2.87Å; A154-K157 PolarHBondContact O-N 2.91Å |
| 158 | A | 95 | Very high | 84.5 | Confident | 83 Ų | 83 | 94.6 Ų | 94.6 | 69% | 0.686 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.1 | -34.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A154 Y155 W156 | A154-A158 WeakPolarHBondContact O-CB 3.24Å; A154-A158 PolarHBondContact O-N 3.49Å; Y155-A158 PolarHBondContact O-N 3.32Å; W156-A158 VanDerWaalsContact C-N 3.3Å; W156-A158 PolarHBondContact O-N 3.48Å |
| 159 | T | 94.9 | Very high | 83.2 | Confident | 62 Ų | 62 | 95.8 Ų | 95.8 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -85.9 | -23.8 | 179.8 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | Y155 W156 P161 | Y155-T159 HydrophobicContact CD1-CG2 4.35Å; Y155-T159 HydrophobicContact CE1-CG2 3.88Å; Y155-T159 HydrophobicContact CE2-CG2 4.25Å; Y155-T159 WeakPolarHBondContact O-CG2 3.46Å; Y155-T159 PolarHBondContact O-N 2.83Å; Y155-T159 PolarHBondContact O-OG1 2.84Å; W156-T159 WeakPolarHBondContact CA-OG1 3Å; W156-T159 PolarHBondContact O-N 2.97Å; W156-T159 PolarHBondContact O-OG1 2.6Å; W156-T159 VanDerWaalsContact O-OG1 3.06Å; T159-P161 VanDerWaalsContact O-CD 3.27Å; T159-P161 WeakPolarHBondContact O-CD 3.44Å |
| 160 | H | 90.4 | Very high | 81.5 | Confident | 78 Ų | 78 | 99 Ų | 99 | 36% | 0.361 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -117.2 | 79.9 | -177.5 | -63.9 | 78.2 | 0 | 0 | 0 | 111.3 | W156 | W156-H160 AromaticContact CD2-CE1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.49Å; W156-H160 AromaticContact CE2-CE1 3.84Å; W156-H160 AromaticContact CE2-CG 3.72Å; W156-H160 AromaticContact CE2-ND1 3.56Å; W156-H160 AromaticContact CE3-CE1 3.51Å; W156-H160 AromaticContact CE3-ND1 3.69Å; W156-H160 AromaticContact CH2-CE1 3.45Å; W156-H160 VanDerWaalsContact CH2-CE1 3.45Å; W156-H160 WeakPolarHBondContact CH2-CE1 3.32Å; W156-H160 AromaticContact CH2-NE2 3.45Å; W156-H160 WeakPolarHBondContact CH2-NE2 3.34Å; W156-H160 AromaticContact CZ2-CD2 3.74Å; W156-H160 AromaticContact CZ2-CE1 3.71Å; W156-H160 AromaticContact CZ2-CG 3.87Å; W156-H160 AromaticContact CZ2-ND1 3.85Å; W156-H160 AromaticContact CZ2-NE2 3.65Å; W156-H160 AromaticContact CZ3-CE1 3.35Å; W156-H160 WeakPolarHBondContact CZ3-CE1 3.27Å; W156-H160 AromaticContact CZ3-ND1 3.96Å; W156-H160 AromaticContact CZ3-NE2 3.83Å; W156-H160 AromaticContact NE1-CG 3.96Å; W156-H160 WeakPolarHBondContact O-CB 3.22Å; W156-H160 PolarHBondContact O-N 3.15Å; W156-H160 PolarHBondContact O-ND1 3.42Å |
| 161 | P | 82.6 | Confident | 79.8 | Confident | 65 Ų | 65 | 99.3 Ų | 99.3 | 42% | 0.422 | 55% | 0.553 | S | S | . | * | trans | -60.5 | 145 | 174.9 | 26.3 | -34.7 | 0 | 0 | 0 | 110.4 | T159 S163 S164 | T159-P161 VanDerWaalsContact O-CD 3.27Å; T159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-S163 PolarHBondContact O-N 3.2Å; P161-S164 WeakPolarHBondContact O-CB 3.47Å; P161-S164 PolarHBondContact O-N 3.5Å; P161-S164 PolarHBondContact O-OG 3.14Å | ||
| 162 | P | 73.2 | Confident | 78.2 | Confident | 119 Ų | 119 | 98.7 Ų | 98.7 | 77% | 0.773 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -4.2 | -171 | 26.2 | -35.6 | 0 | 0 | 0 | 115 | S165 | P162-S165 PolarHBondContact O-OG 3.27Š|
| 163 | S | 65.2 | Low | 76.7 | Confident | 94 Ų | 94 | 103.2 Ų | 103.2 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -16.5 | 169.1 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | P161 | P161-S163 PolarHBondContact O-N 3.2Š|
| 164 | S | 60.7 | Low | 75.2 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 53% | 0.531 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -70 | -32.8 | 176.4 | 61 | 0 | 0 | 0 | 0 | 112.6 | P161 L166 | P161-S164 WeakPolarHBondContact O-CB 3.47Å; P161-S164 PolarHBondContact O-N 3.5Å; P161-S164 PolarHBondContact O-OG 3.14Å; S164-L166 PolarHBondContact O-N 3.41Å |
| 165 | S | 61.3 | Low | 73.6 | Confident | 81 Ų | 81 | 106 Ų | 106 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -93.8 | 77.5 | 176.1 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | P162 P167 | P162-S165 PolarHBondContact O-OG 3.27Å; S165-P167 VanDerWaalsContact O-CD 3.24Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å; S165-P167 VanDerWaalsContact O-N 3.16Å |
| 166 | L | 61.1 | Low | 71.9 | Confident | 155 Ų | 155 | 102.5 Ų | 102.5 | 81% | 0.812 | 58% | 0.582 | S | S | * | * | trans | -60.5 | 115.9 | 169.6 | -72.7 | 175.2 | 0 | 0 | 0 | 110.2 | S164 N168 | S164-L166 PolarHBondContact O-N 3.41Å; L166-N168 PolarHBondContact O-N 3.49Å | ||
| 167 | P | 66.3 | Low | 70.2 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 66% | 0.662 | 58% | 0.581 | S | S | * | * | trans | -71.9 | 117.5 | -177.5 | 28.3 | -33.3 | 0 | 0 | 0 | 110.2 | S165 P169 | S165-P167 VanDerWaalsContact O-CD 3.24Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å; S165-P167 VanDerWaalsContact O-N 3.16Å; P167-P169 VanDerWaalsContact O-CD 3.31Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å; P167-P169 VanDerWaalsContact O-N 3.12Å | ||
| 168 | N | 60.6 | Low | 68.2 | Low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | trans | -62.5 | 113 | 176.2 | -176.6 | -20.9 | 0 | 0 | 0 | 109.6 | L166 L170 L171 | L166-N168 PolarHBondContact O-N 3.49Å; N168-L170 PolarHBondContact O-N 3.4Å; N168-L170 PolarHBondContact OD1-N 3.28Å; N168-L171 PolarHBondContact O-N 3.23Å | ||
| 169 | P | 68.4 | Low | 66.1 | Low | 96 Ų | 96 | 98.5 Ų | 98.5 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.9 | -14.3 | -164.7 | 26 | -35.8 | 0 | 0 | 0 | 114.1 | P167 R173 | P167-P169 VanDerWaalsContact O-CD 3.31Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å; P167-P169 VanDerWaalsContact O-N 3.12Å; P169-R173 PolarHBondContact O-N 3.01Å |
| 170 | L | 61.5 | Low | 64.2 | Low | 124 Ų | 124 | 101.7 Ų | 101.7 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.1 | -34.2 | 175.1 | -58.3 | 179.6 | 0 | 0 | 0 | 112.3 | N168 T174 | N168-L170 PolarHBondContact O-N 3.4Å; N168-L170 PolarHBondContact OD1-N 3.28Å; L170-T174 PolarHBondContact O-N 2.84Å; L170-T174 PolarHBondContact O-OG1 3.39Å |
| 171 | L | 62.3 | Low | 62 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.1 | -41.3 | 177 | -62.4 | 178.6 | 0 | 0 | 0 | 110.9 | N168 R173 T174 L175 | N168-L171 PolarHBondContact O-N 3.23Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.1Å; L171-T174 PolarHBondContact O-N 3.32Å; L171-T174 VanDerWaalsContact O-N 3.15Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.16Å |
| 172 | S | 64.2 | Low | 60.2 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 42% | 0.42 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -56.2 | -44.1 | 177.2 | -43.4 | 0 | 0 | 0 | 0 | 112.2 | A176 | S172-A176 VanDerWaalsContact O-CB 3.32Å; S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 3.23Å; S172-A176 VanDerWaalsContact O-N 3.1Å |
| 173 | R | 65.1 | Low | 58.8 | Low | 188 Ų | 188 | 107.4 Ų | 107.4 | 71% | 0.709 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.6 | -42 | 177.7 | -177.3 | 177.5 | -68.1 | -111.9 | -0.6 | 112.1 | P169 L171 A176 T177 | P169-R173 PolarHBondContact O-N 3.01Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.1Å; R173-A176 PolarHBondContact O-N 2.85Å; R173-T177 WeakPolarHBondContact O-CB 3.36Å; R173-T177 PolarHBondContact O-N 3.06Å; R173-T177 PolarHBondContact O-OG1 2.99Å |
| 174 | T | 64.7 | Low | 57.9 | Low | 95 Ų | 95 | 108.9 Ų | 108.9 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64 | -48.1 | -177.2 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | L170 L171 T177 S178 | L170-T174 PolarHBondContact O-N 2.84Å; L170-T174 PolarHBondContact O-OG1 3.39Å; L171-T174 PolarHBondContact O-N 3.32Å; L171-T174 VanDerWaalsContact O-N 3.15Å; T174-T177 PolarHBondContact O-N 3.21Å; T174-S178 PolarHBondContact O-N 2.69Å |
| 175 | L | 62.5 | Low | 56.7 | Low | 126 Ų | 126 | 112 Ų | 112 | 66% | 0.66 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.8 | -38.3 | 178.3 | -63.7 | 175.4 | 0 | 0 | 0 | 112.6 | L171 T177 S178 | L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.16Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 2.79Å; L175-S178 PolarHBondContact O-N 3.47Å; L175-S178 PolarHBondContact O-OG 3.15Å |
| 176 | A | 59.7 | Low | 55.6 | Low | 60 Ų | 60 | 116.2 Ų | 116.2 | 50% | 0.496 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -67.7 | -25.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | S172 R173 S179 | S172-A176 VanDerWaalsContact O-CB 3.32Å; S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 3.23Å; S172-A176 VanDerWaalsContact O-N 3.1Å; R173-A176 PolarHBondContact O-N 2.85Å; A176-S179 PolarHBondContact O-OG 3.36Å |
| 177 | T | 59.5 | Low | 54.3 | Low | 94 Ų | 94 | 113.3 Ų | 113.3 | 58% | 0.577 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.7 | -25.9 | 178.6 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | R173 T174 L175 S179 | R173-T177 WeakPolarHBondContact O-CB 3.36Å; R173-T177 PolarHBondContact O-N 3.06Å; R173-T177 PolarHBondContact O-OG1 2.99Å; T174-T177 PolarHBondContact O-N 3.21Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 2.79Å; T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.46Å |
| 178 | S | 53 | Low | 52.7 | Low | 95 Ų | 95 | 113.7 Ų | 113.7 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -9.1 | 179 | 55.7 | 0 | 0 | 0 | 0 | 115.3 | T174 L175 | T174-S178 PolarHBondContact O-N 2.69Å; L175-S178 PolarHBondContact O-N 3.47Å; L175-S178 PolarHBondContact O-OG 3.15Å |
| 179 | S | 50.5 | Low | 51.4 | Low | 93 Ų | 93 | 116.1 Ų | 116.1 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 1 | -176.2 | 59.2 | 0 | 0 | 0 | 0 | 115 | A176 T177 | A176-S179 PolarHBondContact O-OG 3.36Å; T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.46Å |
| 180 | L | 54.9 | Low | 50 | Low | 129 Ų | 129 | 115.3 Ų | 115.3 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -94.8 | 130.1 | 177 | -64.9 | 179.4 | 0 | 0 | 0 | 111.5 | L182 | L180-L182 PolarHBondContact O-N 3.33Š|
| 181 | P | 44.1 | Very low | 48.7 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -69.6 | 132 | 175.2 | 28.6 | -33.5 | 0 | 0 | 0 | 111 | S183 | P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.16Å | ||
| 182 | L | 45.9 | Very low | 47.2 | Very low | 177 Ų | 177 | 117.1 Ų | 117.1 | 93% | 0.927 | 71% | 0.711 | S | S | * | * | trans | -68.6 | 88.4 | 174 | -69.8 | 172.8 | 0 | 0 | 0 | 110.5 | L180 P184 | L180-L182 PolarHBondContact O-N 3.33Å; L182-P184 WeakPolarHBondContact O-CD 3.45Å | ||
| 183 | S | 42.3 | Very low | 45.6 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | -73.5 | 121.9 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | P181 T185 | P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.16Å; S183-T185 PolarHBondContact O-N 3.38Å | ||
| 184 | P | 47.9 | Very low | 44.2 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | -78.3 | 117.2 | 179 | 30.3 | -33.1 | 0 | 0 | 0 | 111.3 | L182 L186 | L182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-L186 PolarHBondContact O-N 3.48Å | ||
| 185 | T | 34.9 | Very low | 42.6 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | trans | -75.8 | 109.9 | 174.7 | -55 | 0 | 0 | 0 | 0 | 110.6 | S183 | S183-T185 PolarHBondContact O-N 3.38Š| ||
| 186 | L | 37.9 | Very low | 41.3 | Very low | 170 Ų | 170 | 119.2 Ų | 119.2 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | trans | -68.5 | 141.2 | 169.3 | -88.9 | 161.9 | 0 | 0 | 0 | 111.5 | P184 | P184-L186 PolarHBondContact O-N 3.48Š| ||
| 187 | A | 34.5 | Very low | 40.6 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -127.8 | 148.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 188 | S | 31.6 | Very low | 39.4 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -68.9 | 170.4 | -178.7 | -42.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 189 | N | 34.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | -160.5 | 152.4 | 21.2 | -151.8 | 15.5 | 0 | 0 | 0 | 114.1 | ||||
| 190 | S | 38 | Very low | 37.3 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | trans | 28.6 | 121.5 | 147.7 | 65.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 191 | Q | 34.8 | Very low | 36.3 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | 163.2 | 123.7 | 105.5 | -87.2 | -171.6 | -101.1 | 0 | 0 | 114.9 | |||||
| 192 | G | 30.1 | Very low | 35.6 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | 76.5 | 157.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 193 | S | 32.3 | Very low | 34.9 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -166.3 | 134.4 | -14.2 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 194 | Q | 33.8 | Very low | 35.1 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | 58.7 | 155.5 | 170.3 | -64.4 | 171.2 | -13.5 | 0 | 0 | 116.9 | ||||
| 195 | G | 32.8 | Very low | 34.2 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | -167.8 | 130.5 | -11.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 196 | D | 35.3 | Very low | 34.2 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | 98.3 | 150.5 | 97 | -156.1 | -7.4 | 0 | 0 | 0 | 112.7 | |||||
| 197 | Q | 43.4 | Very low | 33.8 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 65.3 | 144 | -179.3 | -51.1 | -176.1 | 107 | 0 | 0 | 117.1 | ||||
| 198 | R | 35.1 | Very low | 33.4 | Very low | 207 Ų | 207 | 133.6 Ų | 133.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | cis | 156.7 | 120.7 | -30.8 | -103 | 179.7 | 170.4 | -92.4 | 1.8 | 106.8 | ||||
| 199 | T | 29.6 | Very low | 33.3 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | 45.7 | 140.2 | 145.4 | 55.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 200 | D | 30.1 | Very low | 33 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 58% | 0.578 | 75% | 0.754 | S | S | * | * | cis | -136.9 | -135.3 | 31.8 | -153.2 | -153.6 | 0 | 0 | 0 | 111.4 | ||||
| 201 | R | 33.1 | Very low | 32.5 | Very low | 215 Ų | 215 | 134.1 Ų | 134.1 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | cis | -148.7 | 152.7 | 6.8 | -176.5 | 100.7 | -76.8 | -134.6 | 2 | 109.6 | ||||
| 202 | S | 30.4 | Very low | 32.2 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | trans | -73.2 | 160.5 | -176 | -37.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 203 | A | 31.6 | Very low | 32.2 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -72.6 | 177.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 204 | P | 44.6 | Very low | 32 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | -159.5 | 148.4 | 97.6 | 41.5 | -21.8 | 0 | 0 | 0 | 119.5 | |||||
| 205 | I | 29.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | 65.1 | 123.2 | 125.9 | -62.4 | 176 | 0 | 0 | 0 | 122.6 | |||||
| 206 | R | 34.3 | Very low | 31.6 | Very low | 230 Ų | 230 | 137.2 Ų | 137.2 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | trans | 66.5 | 164.6 | 151.6 | -72.7 | 170.6 | -176.9 | -175 | -0.8 | 119.4 | ||||
| 207 | S | 30.7 | Very low | 31.4 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -178.1 | 151.7 | -34.1 | -91.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 208 | A | 26.5 | Very low | 30.9 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 73% | 0.732 | S | S | * | * | trans | 66 | 161.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 209 | S | 28.6 | Very low | 31.1 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | cis | -173.7 | 147.6 | -24.2 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 210 | Q | 27.4 | Very low | 31.1 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | 63.8 | 164.7 | 163.6 | -69.5 | 179.5 | -88.5 | 0 | 0 | 116.5 | ||||
| 211 | A | 27.3 | Very low | 31.2 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 54% | 0.537 | 73% | 0.731 | S | S | . | * | cis | -170.2 | 165.7 | -30.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 212 | E | 29.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | 59.5 | 157.8 | 172.5 | -30.5 | -56.7 | 72.8 | 0 | 0 | 116.1 | ||||
| 213 | E | 29.3 | Very low | 31.2 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | cis | -148.4 | -176.4 | -15.8 | -145 | -170.4 | 111.2 | 0 | 0 | 108.9 | ||||
| 214 | E | 28.8 | Very low | 31.1 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -55.4 | 165.1 | 166.1 | -90.6 | -76.2 | 121.8 | 0 | 0 | 112.8 | S216 | E214-S216 PolarHBondContact OE2-N 2.71Š| ||
| 215 | P | 35.1 | Very low | 30.4 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | cis | -148.4 | 164.2 | 36.1 | 42.9 | -22.2 | 0 | 0 | 0 | 121.2 | ||||
| 216 | S | 23.1 | Very low | 30.4 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | trans | 27.5 | 124.4 | 135.4 | -169.3 | 0 | 0 | 0 | 0 | 121.4 | E214 | E214-S216 PolarHBondContact OE2-N 2.71Š| ||
| 217 | V | 32.2 | Very low | 30.4 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | -172.8 | 148.3 | 103.9 | -87.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 218 | E | 31.9 | Very low | 30.7 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | -77.7 | 155.4 | 161.6 | -147.4 | -147.7 | 133.3 | 0 | 0 | 110.3 | V220 | E218-V220 WeakPolarHBondContact OE1-CG2 3.35Å; E218-V220 PolarHBondContact OE1-N 2.91Å | ||
| 219 | P | 39.9 | Very low | 31 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | -157.3 | 131.4 | 98.2 | 37.1 | -16.1 | 0 | 0 | 0 | 118.9 | |||||
| 220 | V | 29.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 51% | 0.509 | 75% | 0.752 | S | S | . | * | 63.1 | 125.5 | 115.9 | -177.3 | 0 | 0 | 0 | 0 | 121.8 | E218 | E218-V220 WeakPolarHBondContact OE1-CG2 3.35Å; E218-V220 PolarHBondContact OE1-N 2.91Å | |||
| 221 | K | 32.2 | Very low | 31.7 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 83.1 | 89.7 | 153.1 | -76.1 | 160.5 | -156.5 | 156.3 | 0 | 121.9 | ||||
| 222 | K | 33.9 | Very low | 32.4 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | 59.5 | 105.4 | 100.4 | -169.1 | 177.6 | -173.4 | 174.9 | 0 | 119.7 | |||||
| 223 | S | 28.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -156.9 | 157 | 147 | -140.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 224 | Q | 30.1 | Very low | 32.8 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | cis | -134.5 | -112.4 | -3.3 | -159.2 | 179.8 | 38.8 | 0 | 0 | 111.5 | ||||
| 225 | H | 29 | Very low | 33 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -151.5 | 143.6 | -170.4 | -80.4 | -106.2 | 0 | 0 | 0 | 113.5 | ||||
| 226 | R | 30.3 | Very low | 32.9 | Very low | 255 Ų | 255 | 137.1 Ų | 137.1 | 96% | 0.962 | 75% | 0.745 | S | S | * | * | trans | -142.2 | 118.4 | 135.1 | -85 | -159.9 | 175.5 | -139.9 | -0.1 | 110.2 | ||||
| 227 | S | 34.6 | Very low | 33.4 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -99.7 | 173.1 | 163.9 | -37.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 228 | S | 36.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | cis | -147.4 | -171.7 | -1.9 | -42.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 229 | S | 34.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -154.4 | -170.8 | -5.2 | 55.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 230 | S | 32.3 | Very low | 33.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -141.1 | -164.6 | 6.5 | -53.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 231 | A | 36.7 | Very low | 33.6 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | cis | -148.4 | 168.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 232 | P | 43.1 | Very low | 33.7 | Very low | 101 Ų | 101 | 145 Ų | 145 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | -121.1 | -176.5 | -157.9 | 20.4 | 3.3 | 0 | 0 | 0 | 117.1 | ||||
| 233 | H | 34 | Very low | 33.6 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | 86.4 | 143.8 | 164.6 | -53.2 | -77.2 | 0 | 0 | 0 | 117.4 | ||||
| 234 | H | 32.8 | Very low | 34 | Very low | 149 Ų | 149 | 142 Ų | 142 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | cis | -146.2 | 156.1 | -9.1 | -119.8 | -58.2 | 0 | 0 | 0 | 109.8 | ||||
| 235 | N | 33.1 | Very low | 34.1 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -124.1 | 134.2 | 178.7 | -169.9 | 2.7 | 0 | 0 | 0 | 110.2 | ||||
| 236 | H | 32.3 | Very low | 34.5 | Very low | 167 Ų | 167 | 141 Ų | 141 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -133.1 | 120.6 | -177.4 | -80.1 | -76.4 | 0 | 0 | 0 | 112.7 | ||||
| 237 | R | 34.6 | Very low | 34.8 | Very low | 243 Ų | 243 | 136.8 Ų | 136.8 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -136 | 110.4 | 170.3 | -178.5 | -170.1 | -175.6 | -153.1 | 3.4 | 109.4 | ||||
| 238 | S | 32.1 | Very low | 34.9 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 92% | 0.923 | 77% | 0.771 | S | S | * | * | trans | -161.8 | 166.7 | 165.6 | -87.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 239 | G | 35 | Very low | 35.1 | Very low | 62 Ų | 62 | 139.1 Ų | 139.1 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | trans | -160.9 | -159.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 240 | T | 37.1 | Very low | 35 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | 85.1 | 134.6 | -179.3 | 73.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 241 | S | 33.7 | Very low | 35.1 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 90.5 | 117.5 | 156.8 | 79.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 242 | R | 34.2 | Very low | 35.1 | Very low | 244 Ų | 244 | 144.7 Ų | 144.7 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | 59.3 | 101.1 | 141.3 | -63.9 | 178.8 | 173.9 | 127.2 | -2.5 | 120.7 | ||||
| 243 | G | 32 | Very low | 34.7 | Very low | 71 Ų | 71 | 149 Ų | 149 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | 112.2 | 122.8 | 100.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 244 | L | 35.3 | Very low | 34.9 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | trans | 66.4 | 156.1 | 167.3 | -45 | 178.9 | 0 | 0 | 0 | 114.9 | ||||
| 245 | S | 33.2 | Very low | 35.3 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | cis | -129.8 | 160 | -5.2 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 246 | R | 38.1 | Very low | 35.4 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -100.3 | 121.7 | 176.4 | -173 | 174.5 | -177.3 | -95.6 | 2.5 | 108.4 | E248 | R246-E248 IonicContact CZ-OE1 3.37Å; R246-E248 VanDerWaalsContact CZ-OE1 3.27Å; R246-E248 IonicContact CZ-OE2 3.96Å; R246-E248 VanDerWaalsContact NH1-CD 3.26Å; R246-E248 IonicContact NH1-OE1 2.68Å; R246-E248 IonicContact NH1-OE2 3.23Å; R246-E248 PolarHBondContact NH1-OE2 3.23Å; R246-E248 IonicContact NH2-OE1 2.66Å; R246-E248 PolarHBondContact NH2-OE1 2.63Å; R246-E248 IonicContact NH2-OE2 3.72Å; R246-E248 PolarHBondContact NH2-OE2 2.92Å | ||
| 247 | Q | 34.8 | Very low | 35.8 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -122.3 | 105.7 | 174.3 | -167.7 | 80.6 | 53.9 | 0 | 0 | 108 | ||||
| 248 | E | 38.1 | Very low | 36 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | trans | -93.4 | 137 | 163.9 | -73.9 | 173.9 | 147.2 | 0 | 0 | 108.3 | R246 | R246-E248 IonicContact CZ-OE1 3.37Å; R246-E248 VanDerWaalsContact CZ-OE1 3.27Å; R246-E248 IonicContact CZ-OE2 3.96Å; R246-E248 VanDerWaalsContact NH1-CD 3.26Å; R246-E248 IonicContact NH1-OE1 2.68Å; R246-E248 IonicContact NH1-OE2 3.23Å; R246-E248 PolarHBondContact NH1-OE2 3.23Å; R246-E248 IonicContact NH2-OE1 2.66Å; R246-E248 PolarHBondContact NH2-OE1 2.63Å; R246-E248 IonicContact NH2-OE2 3.72Å; R246-E248 PolarHBondContact NH2-OE2 2.92Å | ||
| 249 | T | 40.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 136.5 | 159.3 | 46.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 250 | F | 31.8 | Very low | 36 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -84.2 | -179.7 | -164.4 | -162.9 | -106.2 | 0 | 0 | 0 | 112.8 | ||||
| 251 | D | 34.1 | Very low | 35.7 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | -51 | 161.7 | -171.6 | -65.6 | -94 | 0 | 0 | 0 | 117.1 | ||||
| 252 | S | 36.2 | Very low | 35.7 | Very low | 115 Ų | 115 | 152 Ų | 152 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -143.2 | 118.7 | 155.9 | -70.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 253 | E | 34.3 | Very low | 36 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -84.1 | 111.4 | -175 | -58.8 | 167.3 | 111.6 | 0 | 0 | 110.6 | ||||
| 254 | T | 39.6 | Very low | 36.5 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -102.2 | 87.9 | 173 | 46.8 | 0 | 0 | 0 | 0 | 112 | E256 | T254-E256 PolarHBondContact O-N 2.66Å; T254-E256 VanDerWaalsContact O-N 3.12Å | ||
| 255 | Q | 41.1 | Very low | 36.8 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -73.8 | 87 | 165.6 | -179.9 | 88.6 | 10.4 | 0 | 0 | 109.3 | ||||
| 256 | E | 35.4 | Very low | 36.8 | Very low | 149 Ų | 149 | 151 Ų | 151 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -129.8 | 159.1 | 177.9 | 73.6 | -180 | 132.4 | 0 | 0 | 114.9 | T254 | T254-E256 PolarHBondContact O-N 2.66Å; T254-E256 VanDerWaalsContact O-N 3.12Å | ||
| 257 | S | 39.5 | Very low | 36.7 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 60.9 | 66.8 | 163.6 | -59.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 258 | R | 38.6 | Very low | 36.8 | Very low | 248 Ų | 248 | 150.2 Ų | 150.2 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -79.7 | 109.8 | 131.1 | -83.8 | -175.9 | 166.5 | 112.1 | -5.5 | 108.1 | ||||
| 259 | D | 28.5 | Very low | 36.6 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -167.4 | 177.6 | 114.4 | -150.7 | -5.3 | 0 | 0 | 0 | 111.4 | |||||
| 260 | S | 39.3 | Very low | 36.8 | Very low | 105 Ų | 105 | 154.6 Ų | 154.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -98.2 | 152.8 | -151.6 | -47.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 261 | A | 31.1 | Very low | 37.1 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -149.1 | 59.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 262 | Y | 33.5 | Very low | 37.2 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -76.8 | 130.3 | 168.3 | -176.5 | -108 | 0 | 0 | 0 | 109.1 | E264 | Y262-E264 HydrophobicContact CD1-CB 4.19Å; Y262-E264 HydrophobicContact CE1-CB 3.82Å; Y262-E264 HydrophobicContact CE1-CG 4.23Å | ||
| 263 | V | 40.6 | Very low | 37.3 | Very low | 133 Ų | 133 | 158.6 Ų | 158.6 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -106.3 | 102.8 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 264 | E | 42.1 | Very low | 37.3 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 144.5 | 168 | -157.5 | 163.6 | -169.4 | 0 | 0 | 109.9 | Y262 | Y262-E264 HydrophobicContact CD1-CB 4.19Å; Y262-E264 HydrophobicContact CE1-CB 3.82Å; Y262-E264 HydrophobicContact CE1-CG 4.23Å |
| 265 | P | 41.1 | Very low | 37.1 | Very low | 121 Ų | 121 | 155 Ų | 155 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 155.3 | -178.8 | -23.5 | 35.7 | 0 | 0 | 0 | 114.1 | ||
| 266 | K | 34.8 | Very low | 36.9 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 140.1 | 175 | -62.8 | -180 | 173.8 | -169.8 | 0 | 112.3 | ||
| 267 | E | 35.1 | Very low | 37 | Very low | 196 Ų | 196 | 157.4 Ų | 157.4 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -130 | 137.8 | 144.7 | -63.7 | -166.7 | 155.3 | 0 | 0 | 108.6 | ||||
| 268 | D | 36.8 | Very low | 36.8 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -83 | 134.1 | -176.6 | -70.8 | -61.5 | 0 | 0 | 0 | 111.6 | ||||
| 269 | Y | 34.8 | Very low | 36.6 | Very low | 243 Ų | 243 | 150.7 Ų | 150.7 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -158.1 | 140.5 | 149.4 | -114.1 | -73.6 | 0 | 0 | 0 | 112.4 | ||||
| 270 | S | 43.8 | Very low | 37.7 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -109.4 | 139.5 | -171.4 | -43.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 271 | H | 40 | Very low | 37.6 | Very low | 186 Ų | 186 | 158 Ų | 158 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -157.2 | 137.1 | 145.4 | -139 | 65.7 | 0 | 0 | 0 | 113.7 | ||||
| 272 | D | 34.4 | Very low | 37.7 | Very low | 138 Ų | 138 | 159 Ų | 159 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -81.6 | 147.2 | 169.1 | -59.9 | -101.4 | 0 | 0 | 0 | 111.4 | ||||
| 273 | H | 40 | Very low | 38.1 | Very low | 183 Ų | 183 | 158.8 Ų | 158.8 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -152.7 | 153.1 | 134.4 | -146 | -83.2 | 0 | 0 | 0 | 112.1 | ||||
| 274 | V | 34.1 | Very low | 37.7 | Very low | 106 Ų | 106 | 160.4 Ų | 160.4 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | -105.5 | 155.7 | -175.9 | -155.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 275 | D | 35.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 162 Ų | 162 | 66% | 0.658 | 81% | 0.806 | S | S | * | * | 125.2 | 150.4 | 120.4 | -118.1 | -38.3 | 0 | 0 | 0 | 122 | |||||
| 276 | H | 37.3 | Very low | 37 | Very low | 159 Ų | 159 | 166.2 Ų | 166.2 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 82.4 | 83.1 | 154.8 | -62.4 | -1.6 | 0 | 0 | 0 | 123.1 | ||||
| 277 | Y | 36.3 | Very low | 37 | Very low | 233 Ų | 233 | 162.8 Ų | 162.8 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | 41.8 | 124.4 | 114.8 | -107.5 | -91 | 0 | 0 | 0 | 123.8 | |||||
| 278 | A | 36.3 | Very low | 36.7 | Very low | 98 Ų | 98 | 160.8 Ų | 160.8 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 157.1 | 147.4 | 132.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 279 | S | 33.3 | Very low | 36.6 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -158.2 | 156.1 | -21 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 280 | H | 51.9 | Low | 36.5 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | trans | -76.1 | 156.5 | -179.6 | -70.9 | -94.7 | 0 | 0 | 0 | 113.4 | ||||
| 281 | R | 36.9 | Very low | 35.8 | Very low | 222 Ų | 222 | 154.1 Ų | 154.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -148.7 | 120.7 | 151.3 | -163 | 157.6 | -171.5 | 156.3 | 9.6 | 116.1 | ||||
| 282 | D | 32.7 | Very low | 35.4 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | trans | 49.8 | 112.8 | 152.8 | -53.3 | -20.1 | 0 | 0 | 0 | 121.3 | ||||
| 283 | H | 42.4 | Very low | 35.2 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 159.6 | 150.2 | -71.7 | -67.1 | 0 | 0 | 0 | 111.1 | ||||
| 284 | N | 33 | Very low | 34.9 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -151.5 | 147.8 | 135.8 | -116.8 | -67.7 | 0 | 0 | 0 | 112.3 | ||||
| 285 | H | 37.3 | Very low | 34.9 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -131.9 | 131.2 | -178.9 | -163.7 | -62.5 | 0 | 0 | 0 | 106.6 | ||||
| 286 | R | 31.6 | Very low | 34.7 | Very low | 210 Ų | 210 | 153.6 Ų | 153.6 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -138.8 | 134 | 170.7 | -177.2 | 166 | 171.4 | 155.7 | -4 | 111.4 | E288 | R286-E288 IonicContact CZ-OE2 2.71Å; R286-E288 IonicContact NE-OE2 2.63Å; R286-E288 PolarHBondContact NE-OE2 3.43Å; R286-E288 IonicContact NH2-OE1 2.6Å; R286-E288 IonicContact NH2-OE2 3.55Å; R286-E288 PolarHBondContact NH2-OE2 3Å | ||
| 287 | D | 34.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | -94.8 | 149.2 | 176.5 | -179.7 | -90.1 | 0 | 0 | 0 | 110 | T289 | D287-T289 WeakPolarHBondContact OD1-CG2 3.31Š| ||
| 288 | E | 28.2 | Very low | 34.1 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -163 | 157.9 | 148.7 | -115.4 | 163.8 | 127.1 | 0 | 0 | 111.1 | R286 | R286-E288 IonicContact CZ-OE2 2.71Å; R286-E288 IonicContact NE-OE2 2.63Å; R286-E288 PolarHBondContact NE-OE2 3.43Å; R286-E288 IonicContact NH2-OE1 2.6Å; R286-E288 IonicContact NH2-OE2 3.55Å; R286-E288 PolarHBondContact NH2-OE2 3Å | ||
| 289 | T | 34.3 | Very low | 33.8 | Very low | 84 Ų | 84 | 154.6 Ų | 154.6 | 52% | 0.515 | 77% | 0.769 | S | S | . | * | trans | -131.4 | 171.7 | -144.8 | 42.3 | 0 | 0 | 0 | 0 | 116.5 | D287 | D287-T289 WeakPolarHBondContact OD1-CG2 3.31Š| ||
| 290 | H | 33.8 | Very low | 34.2 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | 90.1 | 140.4 | 159.2 | -48.1 | -63.5 | 0 | 0 | 0 | 119.4 | ||||
| 291 | G | 28.7 | Very low | 33.2 | Very low | 83 Ų | 83 | 156.8 Ų | 156.8 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 160.5 | 79.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 292 | S | 31.2 | Very low | 33.4 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -93.2 | 139.8 | -178.1 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 293 | S | 31 | Very low | 33.4 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | -158.8 | 157.5 | 161.1 | -82.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 294 | D | 32.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 158.1 Ų | 158.1 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | -126.6 | 177 | -149.4 | -153.4 | -43.3 | 0 | 0 | 0 | 112.4 | ||||
| 295 | H | 34.5 | Very low | 32.7 | Very low | 142 Ų | 142 | 161 Ų | 161 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 90.8 | 90.8 | 157.2 | -53.4 | -17.1 | 0 | 0 | 0 | 121.2 | ||||
| 296 | R | 31.6 | Very low | 32.5 | Very low | 215 Ų | 215 | 159.6 Ų | 159.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | 60.1 | 120.6 | 110.6 | -68.4 | 175.6 | -171 | -164.9 | 4.4 | 121.8 | |||||
| 297 | H | 30.9 | Very low | 33.3 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 63.8 | 123.6 | 130.5 | -101.5 | -54.5 | 0 | 0 | 0 | 122.5 | ||||
| 298 | R | 29.6 | Very low | 33.9 | Very low | 193 Ų | 193 | 157.5 Ų | 157.5 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | 102.5 | 143.2 | 117.3 | -167.2 | 177.3 | 171.7 | 140.7 | 15 | 120.5 | |||||
| 299 | E | 29.6 | Very low | 34.8 | Very low | 139 Ų | 139 | 160.5 Ų | 160.5 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | 75.1 | 127 | 162 | -113.6 | 106 | -123.5 | 0 | 0 | 120.8 | ||||
| 300 | S | 41.5 | Very low | 35.2 | Very low | 114 Ų | 114 | 165.7 Ų | 165.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -84.6 | 135.8 | 172.2 | -33.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 301 | R | 32.4 | Very low | 35.7 | Very low | 237 Ų | 237 | 166.2 Ų | 166.2 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -144.4 | 134.9 | 155.8 | -70 | -164.2 | 176.9 | 175.1 | 1.7 | 112.1 | ||||
| 302 | H | 39.6 | Very low | 36.5 | Very low | 188 Ų | 188 | 169 Ų | 169 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -71.4 | 146.8 | 176.3 | -54 | -98.6 | 0 | 0 | 0 | 112.2 | ||||
| 303 | R | 32.3 | Very low | 37.3 | Very low | 251 Ų | 251 | 171.8 Ų | 171.8 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -141.1 | 159 | 145.3 | -86.7 | -159.2 | 167.8 | 133.6 | -0.7 | 110.6 | ||||
| 304 | S | 30.3 | Very low | 38.1 | Very low | 116 Ų | 116 | 173.6 Ų | 173.6 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -100.7 | 174.7 | -157.4 | -36.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 305 | R | 31.6 | Very low | 38.6 | Very low | 229 Ų | 229 | 173.9 Ų | 173.9 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | 93.6 | 144.9 | -177.3 | -63.3 | -174.7 | 177.2 | -176.9 | -2.9 | 113.2 | ||||
| 306 | D | 33.2 | Very low | 38.9 | Very low | 147 Ų | 147 | 173.4 Ų | 173.4 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | cis | -108.5 | 164.5 | 7.6 | -76.4 | -67.6 | 0 | 0 | 0 | 114.8 | ||||
| 307 | V | 48 | Very low | 39.4 | Very low | 146 Ų | 146 | 170.9 Ų | 170.9 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -118.9 | 92.9 | 171.7 | 175.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 308 | D | 46.8 | Very low | 40.1 | Very low | 136 Ų | 136 | 171.4 Ų | 171.4 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -161.7 | 157 | 168.4 | -143.9 | -38.1 | 0 | 0 | 0 | 111.3 | ||||
| 309 | R | 46.7 | Very low | 40.8 | Very low | 217 Ų | 217 | 168.8 Ų | 168.8 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | trans | 68.4 | 54.7 | 175.4 | -55 | -177.2 | -176.7 | 73.6 | 3.8 | 119.4 | ||||
| 310 | E | 43.5 | Very low | 41.3 | Very low | 194 Ų | 194 | 174 Ų | 174 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | -135.8 | 62.5 | 148.1 | -78.3 | -156 | 132.8 | 0 | 0 | 111.5 | ||||
| 311 | Q | 44.9 | Very low | 41.3 | Very low | 198 Ų | 198 | 174 Ų | 174 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -161.8 | 69 | 166.4 | -132.4 | 158.2 | 114.5 | 0 | 0 | 114.2 | ||||
| 312 | D | 44.5 | Very low | 42.1 | Very low | 142 Ų | 142 | 173.4 Ų | 173.4 | 76% | 0.759 | 83% | 0.829 | S | S | * | * | trans | -140.9 | 169.5 | 162.7 | -155.1 | -38.2 | 0 | 0 | 0 | 108.9 | ||||
| 313 | H | 47.8 | Very low | 41.9 | Very low | 171 Ų | 171 | 173.5 Ų | 173.5 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 79.8 | 44.7 | 172.1 | -46 | -14.8 | 0 | 0 | 0 | 116.3 | ||
| 314 | N | 48.8 | Very low | 42.2 | Very low | 165 Ų | 165 | 171.9 Ų | 171.9 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -144.7 | 10.9 | 161.3 | -147.8 | 5 | 0 | 0 | 0 | 117.4 | ||
| 315 | E | 43.4 | Very low | 42.6 | Very low | 133 Ų | 133 | 172 Ų | 172 | 62% | 0.621 | 83% | 0.83 | S | S | * | * | trans | -112.4 | -0.2 | -175.5 | -134.6 | -162.4 | 136.9 | 0 | 0 | 116.9 | N317 Q319 | E315-N317 VanDerWaalsContact C-N 3.26Å; E315-N317 PolarHBondContact O-N 3.02Å; E315-N317 VanDerWaalsContact O-N 3.14Å; E315-Q319 PolarHBondContact OE1-NE2 3.03Å | ||
| 316 | C | 40.8 | Very low | 42.6 | Very low | 132 Ų | 132 | 169.6 Ų | 169.6 | 89% | 0.892 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -24 | -172.7 | -161.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 317 | N | 41.4 | Very low | 42.6 | Very low | 162 Ų | 162 | 168.5 Ų | 168.5 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 17.9 | -169.4 | -160 | 31.8 | 0 | 0 | 0 | 115.8 | E315 | E315-N317 VanDerWaalsContact C-N 3.26Å; E315-N317 PolarHBondContact O-N 3.02Å; E315-N317 VanDerWaalsContact O-N 3.14Å |
| 318 | K | 45.4 | Very low | 42.1 | Very low | 189 Ų | 189 | 173.6 Ų | 173.6 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -19.6 | 178.7 | -85.5 | -174 | 175 | 178 | 0 | 116.5 | ||
| 319 | Q | 43.7 | Very low | 41.4 | Very low | 139 Ų | 139 | 177.8 Ų | 177.8 | 65% | 0.65 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -94.2 | -7.5 | -168.4 | -61 | -167.5 | 2.2 | 0 | 0 | 115.5 | E315 S321 | E315-Q319 PolarHBondContact OE1-NE2 3.03Å; Q319-S321 VanDerWaalsContact C-N 3.3Å; Q319-S321 PolarHBondContact O-N 3.22Å |
| 320 | R | 40.2 | Very low | 40.8 | Very low | 249 Ų | 249 | 172.4 Ų | 172.4 | 94% | 0.94 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 9.4 | -172.9 | -146.7 | 176.7 | -171.8 | -96.2 | 3.3 | 116 | ||
| 321 | S | 42.6 | Very low | 40.3 | Very low | 113 Ų | 113 | 170.3 Ų | 170.3 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 3.8 | -172.6 | -151.2 | 0 | 0 | 0 | 0 | 115.5 | Q319 | Q319-S321 VanDerWaalsContact C-N 3.3Å; Q319-S321 PolarHBondContact O-N 3.22Å |
| 322 | R | 48.6 | Very low | 39.7 | Very low | 224 Ų | 224 | 167.7 Ų | 167.7 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -140.8 | 95.1 | -179.3 | -75.3 | -174.2 | 170.5 | 177.8 | -3.8 | 112.8 | ||||
| 323 | H | 35.1 | Very low | 39.2 | Very low | 190 Ų | 190 | 168.5 Ų | 168.5 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | 169.1 | 102.1 | 141.5 | -93.8 | -168.4 | 0 | 0 | 0 | 111.9 | ||||
| 324 | K | 38.4 | Very low | 38.5 | Very low | 218 Ų | 218 | 164 Ų | 164 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | trans | -169.7 | 54.4 | 142 | -113.1 | 175 | -177.4 | -179.6 | 0 | 114.5 | ||||
| 325 | S | 39.1 | Very low | 38.1 | Very low | 118 Ų | 118 | 164.7 Ų | 164.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -108.6 | 94 | 165.8 | 41.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 326 | K | 31.7 | Very low | 37.7 | Very low | 178 Ų | 178 | 165 Ų | 165 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | -157.6 | 93 | 167.6 | -161.2 | 74.2 | -172 | 142 | 0 | 112.3 | ||||
| 327 | D | 34.1 | Very low | 37.6 | Very low | 124 Ų | 124 | 165.3 Ų | 165.3 | 66% | 0.663 | 81% | 0.805 | S | S | * | * | trans | 27.6 | 121.3 | 142.2 | -37.7 | -46.7 | 0 | 0 | 0 | 119.2 | ||||
| 328 | R | 37.4 | Very low | 37.4 | Very low | 254 Ų | 254 | 162.1 Ų | 162.1 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -135.3 | 149.6 | 130.7 | -119.9 | -173.8 | -71.7 | -161.8 | 1.4 | 110.4 | ||||
| 329 | Y | 31.3 | Very low | 37.1 | Very low | 223 Ų | 223 | 162.2 Ų | 162.2 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -84.5 | 164.2 | -159 | -167.5 | -99.6 | 0 | 0 | 0 | 113.5 | ||||
| 330 | C | 35.3 | Very low | 36.9 | Very low | 104 Ų | 104 | 164.1 Ų | 164.1 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | trans | -77 | 156.4 | -172.1 | -49.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 331 | E | 31.9 | Very low | 36.7 | Very low | 150 Ų | 150 | 164 Ų | 164 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | 179.8 | 156.1 | 115.3 | -98.3 | -136.7 | 109.3 | 0 | 0 | 114.4 | |||||
| 332 | K | 31.6 | Very low | 36.2 | Very low | 143 Ų | 143 | 163 Ų | 163 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | trans | 61.3 | 107.2 | 154.4 | -72.2 | 174.9 | 171.5 | 67 | 0 | 121.5 | ||||
| 333 | D | 35.8 | Very low | 35.5 | Very low | 160 Ų | 160 | 160.6 Ų | 160.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | 37.7 | 128.8 | 112.9 | -45.4 | -47.7 | 0 | 0 | 0 | 120.4 | |||||
| 334 | G | 31.9 | Very low | 35.4 | Very low | 76 Ų | 76 | 156.7 Ų | 156.7 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -178 | 80.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 335 | E | 41.1 | Very low | 35.1 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -75.3 | 119 | 170.5 | 178.7 | -170.6 | -173.1 | 0 | 0 | 111.3 | ||||
| 336 | V | 34.7 | Very low | 34.9 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -145.2 | 130.8 | 167.2 | -172 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 337 | I | 37.9 | Very low | 35 | Very low | 138 Ų | 138 | 155.6 Ų | 155.6 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -95.8 | 135.1 | 177.2 | -59.6 | 155.1 | 0 | 0 | 0 | 110.6 | ||||
| 338 | S | 38.5 | Very low | 35.3 | Very low | 95 Ų | 95 | 155 Ų | 155 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | 175.7 | 138.6 | 142.5 | -92.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 339 | K | 38.2 | Very low | 35.3 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 95.3 | 134.6 | -64.6 | 168.9 | -175.2 | 169.5 | 0 | 122.1 | ||||
| 340 | K | 39.9 | Very low | 35.7 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | 26.1 | 127.5 | 111.1 | -177.5 | 179.3 | -177.4 | 175.6 | 0 | 119 | N342 | K340-N342 WeakPolarHBondContact CE-OD1 3.47Š| |||
| 341 | R | 35.9 | Very low | 36.1 | Very low | 248 Ų | 248 | 150.5 Ų | 150.5 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | -142 | 151 | 137.1 | -157.5 | 168 | 73.7 | -162.9 | 2.9 | 110.4 | ||||
| 342 | N | 32.7 | Very low | 36.4 | Very low | 92 Ų | 92 | 153.8 Ų | 153.8 | 49% | 0.492 | 78% | 0.775 | S | S | . | * | trans | -92.9 | 156.8 | -166.8 | -96.9 | 34.1 | 0 | 0 | 0 | 115.1 | K340 | K340-N342 WeakPolarHBondContact CE-OD1 3.47Š| ||
| 343 | E | 33.3 | Very low | 36.8 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 41.7 | 132.6 | 137.4 | -60.8 | 168.2 | 118 | 0 | 0 | 122.2 | ||||
| 344 | A | 33 | Very low | 36.7 | Very low | 108 Ų | 108 | 157.9 Ų | 157.9 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | -156.4 | 138.7 | 123.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 345 | G | 32.9 | Very low | 37.1 | Very low | 63 Ų | 63 | 166.4 Ų | 166.4 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | 122.2 | 8.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | W347 | G345-W347 PolarHBondContact O-N 3.12Š| ||
| 346 | E | 34.2 | Very low | 36.9 | Very low | 194 Ų | 194 | 165.7 Ų | 165.7 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -79.1 | 118.3 | 175.2 | -168.8 | 168.3 | -117.7 | 0 | 0 | 111.6 | ||||
| 347 | W | 33.7 | Very low | 37.1 | Very low | 235 Ų | 235 | 167.1 Ų | 167.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -111.4 | 81.4 | 179.3 | -77.1 | 88.6 | 0 | 0 | 0 | 111.4 | G345 | G345-W347 PolarHBondContact O-N 3.12Š| ||
| 348 | N | 39.6 | Very low | 37 | Very low | 112 Ų | 112 | 168.7 Ų | 168.7 | 60% | 0.599 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 131.5 | 165 | -177.6 | -69.1 | 0 | 0 | 0 | 110.6 | D350 | N348-D350 PolarHBondContact ND2-OD2 3.23Å; N348-D350 PolarHBondContact OD1-N 2.68Å | ||
| 349 | R | 39.1 | Very low | 36.9 | Very low | 228 Ų | 228 | 173 Ų | 173 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -150 | 84.4 | 151.9 | -70.3 | -160.9 | -171.8 | -163.2 | 3.7 | 111.4 | ||||
| 350 | D | 39.2 | Very low | 36.9 | Very low | 130 Ų | 130 | 171.9 Ų | 171.9 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | trans | -75.6 | 120.6 | 166 | -67.7 | -72.1 | 0 | 0 | 0 | 111.7 | N348 | N348-D350 PolarHBondContact ND2-OD2 3.23Å; N348-D350 PolarHBondContact OD1-N 2.68Å | ||
| 351 | V | 43.8 | Very low | 36.7 | Very low | 127 Ų | 127 | 171.5 Ų | 171.5 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -146.2 | 110.4 | 161.8 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 352 | Y | 37.3 | Very low | 36.7 | Very low | 220 Ų | 220 | 166 Ų | 166 | 86% | 0.863 | 81% | 0.806 | S | S | * | * | trans | 27.2 | 146.5 | 140.8 | -64.8 | -94.1 | 0 | 0 | 0 | 120.9 | ||||
| 353 | I | 40.2 | Very low | 37 | Very low | 152 Ų | 152 | 171.7 Ų | 171.7 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | cis | -141.7 | 155.5 | 38.3 | -78.4 | 179.4 | 0 | 0 | 0 | 112 | ||||
| 354 | R | 33.2 | Very low | 37.3 | Very low | 236 Ų | 236 | 171.7 Ų | 171.7 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -107.2 | 137.1 | 163.4 | 177.1 | -167 | -162.9 | 159.5 | 6.9 | 109.8 | ||||
| 355 | Q | 41.8 | Very low | 37.7 | Very low | 255 Ų | 255 | 177.5 Ų | 177.5 | 100% | 1.192 | 83% | 0.827 | S | S | * | * | trans | -142.1 | 0 | 158.9 | -168.4 | 151 | 103.7 | 0 | 0 | 109 |
Retrieved 355 of 355 residues in 183 ms
(Link to these results)