| 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 | 30.6 | Very low | 27 | Very low | 241 Ų | 241 | 153.5 Ų | 153.5 | 100% | 1.187 | 87% | 0.866 | S | S | * | * | 0 | 146 | 0 | -74.6 | 176.5 | 167.5 | 0 | 0 | 108.3 | |||||
| 2 | L | 28.6 | Very low | 26.9 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 87% | 0.869 | 87% | 0.867 | S | S | * | * | trans | 25.8 | 87.5 | 163 | -68.3 | 168.5 | 0 | 0 | 0 | 118.8 | ||||
| 3 | T | 30.1 | Very low | 26.9 | Very low | 135 Ų | 135 | 156.9 Ų | 156.9 | 83% | 0.828 | 87% | 0.871 | S | S | * | * | -175.8 | 89.2 | 128.3 | 28.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 4 | N | 25.4 | Very low | 26.7 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 88% | 0.882 | 87% | 0.871 | S | S | * | * | trans | -164.8 | 83 | 165 | -109.6 | -12.9 | 0 | 0 | 0 | 108.5 | ||||
| 5 | S | 25.7 | Very low | 26.9 | Very low | 108 Ų | 108 | 157.7 Ų | 157.7 | 76% | 0.755 | 86% | 0.863 | S | S | * | * | trans | -155 | 36.2 | -168.8 | -49.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 6 | I | 28.4 | Very low | 26.8 | Very low | 176 Ų | 176 | 155 Ų | 155 | 90% | 0.903 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -133.9 | 60.8 | 172.7 | -46.8 | -179 | 0 | 0 | 0 | 109.9 | ||
| 7 | S | 25.4 | Very low | 26.9 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 76% | 0.762 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -163.3 | 35.8 | 177.8 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 8 | S | 24.6 | Very low | 27.1 | Very low | 109 Ų | 109 | 156.7 Ų | 156.7 | 76% | 0.762 | 85% | 0.852 | S | S | * | * | trans | -152.6 | 32.2 | -175.9 | -53.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 9 | I | 27.4 | Very low | 27.1 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | trans | -135.5 | 68.5 | 172.3 | -47.9 | -179.5 | 0 | 0 | 0 | 110.4 | ||||
| 10 | Q | 26.7 | Very low | 27.3 | Very low | 201 Ų | 201 | 153.7 Ų | 153.7 | 94% | 0.939 | 84% | 0.844 | S | S | * | * | trans | -157 | 46.8 | 167 | -142.5 | 161.7 | 2.1 | 0 | 0 | 113 | ||||
| 11 | S | 24.2 | Very low | 27.8 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 76% | 0.755 | 84% | 0.842 | S | S | * | * | trans | -146.1 | 42 | -176.1 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 12 | M | 25.3 | Very low | 28.3 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -141.2 | 87.9 | 170.4 | -75.6 | -167.4 | 168.2 | 0 | 0 | 110.3 | ||||
| 13 | N | 27 | Very low | 29.4 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -178.6 | 68.7 | 154.3 | -96.3 | -6 | 0 | 0 | 0 | 108.1 | ||||
| 14 | E | 25.2 | Very low | 31.1 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -112.7 | 115.4 | 162.1 | -68.2 | -151.2 | 150 | 0 | 0 | 108.7 | P16 | E14-P16 WeakPolarHBondContact O-CD 3.48Š| ||
| 15 | D | 28.5 | Very low | 33.6 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -71.5 | 118.3 | 173.6 | -71.1 | -59.6 | 0 | 0 | 0 | 109.6 | C17 R18 | D15-C17 PolarHBondContact O-N 3.46Å; D15-R18 PolarHBondContact O-N 2.83Å | ||
| 16 | P | 26.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 2.2 | -176 | 28.5 | -35.4 | 0 | 0 | 0 | 114.1 | E14 | E14-P16 WeakPolarHBondContact O-CD 3.48Š|
| 17 | C | 28.4 | Very low | 38.4 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 9.4 | -179.6 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | D15 | D15-C17 PolarHBondContact O-N 3.46Š|
| 18 | R | 30.6 | Very low | 41.2 | Very low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -104.7 | -11.5 | 179.4 | -134.1 | 177.6 | -166.6 | -174.3 | 4.1 | 115.4 | D15 | D15-R18 PolarHBondContact O-N 2.83Š|
| 19 | N | 25.5 | Very low | 44.2 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 141.2 | 170.8 | -76.4 | -31.5 | 0 | 0 | 0 | 110.4 | ||
| 20 | S | 31 | Very low | 47 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.2 | 45.2 | -170.4 | 65.4 | 0 | 0 | 0 | 0 | 115.7 | I22 | S20-I22 PolarHBondContact O-N 3.42Š|
| 21 | K | 39 | Very low | 49.8 | Very low | 186 Ų | 186 | 116.9 Ų | 116.9 | 81% | 0.809 | 61% | 0.61 | S | S | * | * | trans | -62.4 | 99.6 | 136.6 | -116.4 | -157.9 | 176.8 | -159.7 | 0 | 106.2 | F23 | K21-F23 PolarHBondContact O-N 2.8Š| ||
| 22 | I | 40.8 | Very low | 52.9 | Low | 139 Ų | 139 | 116.1 Ų | 116.1 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | -55.7 | 124 | 166.9 | -63.5 | 172.5 | 0 | 0 | 0 | 105.9 | S20 M24 | S20-I22 PolarHBondContact O-N 3.42Å; I22-M24 PolarHBondContact O-N 2.79Å | ||
| 23 | F | 52.1 | Low | 56 | Low | 206 Ų | 206 | 108 Ų | 108 | 90% | 0.904 | 55% | 0.553 | S | S | * | * | trans | -70.2 | 87.3 | 170.9 | -106 | -90.2 | 0 | 0 | 0 | 107.4 | K21 S25 | K21-F23 PolarHBondContact O-N 2.8Å; F23-S25 PolarHBondContact O-N 3.27Å | ||
| 24 | M | 65.1 | Low | 58.9 | Low | 77 Ų | 77 | 101.3 Ų | 101.3 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | trans | -54.6 | 134.9 | 159.5 | -68.5 | 175 | 29.9 | 0 | 0 | 107.6 | I22 E28 A29 K32 | I22-M24 PolarHBondContact O-N 2.79Å; M24-E28 HydrophobicContact CB-CB 3.97Å; M24-E28 HydrophobicContact CE-CB 4.38Å; M24-E28 HydrophobicContact CG-CB 4.45Å; M24-E28 WeakPolarHBondContact CG-OE2 3.14Å; M24-A29 HydrophobicContact CE-CB 3.78Å; M24-K32 HydrophobicContact CE-CD 3.59Å; M24-K32 HydrophobicContact SD-CD 4Å; M24-K32 PolarHBondContact SD-NZ 3.02Å | ||
| 25 | S | 77.7 | Confident | 61.9 | Low | 54 Ų | 54 | 96.3 Ų | 96.3 | 38% | 0.378 | 50% | 0.495 | S | S | . | . | trans | -61.6 | 158.7 | 166.6 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | F23 E27 E28 A29 | F23-S25 PolarHBondContact O-N 3.27Å; S25-E27 PolarHBondContact O-N 2.93Å; S25-E28 PolarHBondContact O-N 3.23Å; S25-E28 VanDerWaalsContact O-N 3.14Å; S25-E28 PolarHBondContact OG-N 2.79Å; S25-A29 PolarHBondContact O-N 3.4Å | ||
| 26 | H | 75.7 | Confident | 65 | Low | 66 Ų | 66 | 96.4 Ų | 96.4 | 31% | 0.306 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -53.3 | -41.2 | 169.8 | 174.6 | 52.5 | 0 | 0 | 0 | 110.6 | A29 L30 R48 F77 D79 | H26-A29 WeakPolarHBondContact O-CB 3.47Å; H26-A29 PolarHBondContact O-N 3.29Å; H26-A29 VanDerWaalsContact O-N 3.12Å; H26-L30 WeakPolarHBondContact O-CG 3.47Å; H26-L30 PolarHBondContact O-N 2.84Å; H26-R48 PolarHBondContact NE2-NH2 3.21Å; H26-F77 WeakPolarHBondContact CE1-CB 3.43Å; H26-F77 AromaticContact CE1-CG 3.78Å; H26-F77 AromaticContact NE2-CG 3.87Å; H26-D79 VanDerWaalsContact CE1-CG 3.49Å; H26-D79 IonicContact CE1-OD1 2.97Å; H26-D79 PolarHBondContact CE1-OD1 3.07Å; H26-D79 VanDerWaalsContact CE1-OD1 3.32Å; H26-D79 IonicContact CE1-OD2 3.44Å; H26-D79 IonicContact CG-OD2 3.3Å; H26-D79 IonicContact ND1-OD1 3.8Å; H26-D79 PolarHBondContact ND1-OD1 3.25Å; H26-D79 IonicContact ND1-OD2 3.97Å; H26-D79 PolarHBondContact ND1-OD2 3.46Å |
| 27 | E | 79.5 | Confident | 68 | Low | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57 | -53.5 | 172.6 | -171.4 | 171.5 | -137.1 | 0 | 0 | 112.4 | S25 A29 L30 V31 I652 | S25-E27 PolarHBondContact O-N 2.93Å; E27-A29 PolarHBondContact O-N 3.02Å; E27-A29 VanDerWaalsContact O-N 3.09Å; E27-L30 WeakPolarHBondContact O-CB 3.28Å; E27-L30 PolarHBondContact O-N 2.98Å; E27-L30 VanDerWaalsContact O-N 3.08Å; E27-V31 WeakPolarHBondContact O-CG2 3.46Å; E27-V31 PolarHBondContact O-N 3.19Å; E27-I652 HydrophobicContact CG-CG2 4.02Å; E27-I652 WeakPolarHBondContact CG-O 3.3Å; E27-I652 WeakPolarHBondContact OE1-CA 3.09Å |
| 28 | E | 84.9 | Confident | 71 | Confident | 82 Ų | 82 | 89.9 Ų | 89.9 | 38% | 0.383 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.2 | -31 | 174.1 | -91.8 | -162.7 | -133.4 | 0 | 0 | 113.5 | M24 S25 K32 | M24-E28 HydrophobicContact CB-CB 3.97Å; M24-E28 HydrophobicContact CE-CB 4.38Å; M24-E28 HydrophobicContact CG-CB 4.45Å; M24-E28 WeakPolarHBondContact CG-OE2 3.14Å; S25-E28 PolarHBondContact O-N 3.23Å; S25-E28 VanDerWaalsContact O-N 3.14Å; S25-E28 PolarHBondContact OG-N 2.79Å; E28-K32 WeakPolarHBondContact O-CD 3.14Å; E28-K32 WeakPolarHBondContact O-CG 3.3Å; E28-K32 PolarHBondContact O-N 3.07Å; E28-K32 VanDerWaalsContact O-N 3.14Å; E28-K32 IonicContact OE2-NZ 2.67Å; E28-K32 PolarHBondContact OE2-NZ 2.77Å |
| 29 | A | 87.2 | Confident | 73.9 | Confident | 22 Ų | 22 | 80.7 Ų | 80.7 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -75 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M24 S25 H26 E27 K32 L33 D79 | M24-A29 HydrophobicContact CE-CB 3.78Å; S25-A29 PolarHBondContact O-N 3.4Å; H26-A29 WeakPolarHBondContact O-CB 3.47Å; H26-A29 PolarHBondContact O-N 3.29Å; H26-A29 VanDerWaalsContact O-N 3.12Å; E27-A29 PolarHBondContact O-N 3.02Å; E27-A29 VanDerWaalsContact O-N 3.09Å; A29-K32 PolarHBondContact O-N 2.86Å; A29-L33 WeakPolarHBondContact O-CB 3.33Å; A29-L33 PolarHBondContact O-N 2.84Å; A29-D79 HydrophobicContact CB-CB 3.69Å |
| 30 | L | 85.8 | Confident | 77 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 169.5 | -66 | 174.8 | 0 | 0 | 0 | 111.4 | H26 E27 K32 L33 T34 I41 E78 D79 | H26-L30 WeakPolarHBondContact O-CG 3.47Å; H26-L30 PolarHBondContact O-N 2.84Å; E27-L30 WeakPolarHBondContact O-CB 3.28Å; E27-L30 PolarHBondContact O-N 2.98Å; E27-L30 VanDerWaalsContact O-N 3.08Å; L30-K32 PolarHBondContact O-N 3.4Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 PolarHBondContact O-N 2.83Å; L30-L33 VanDerWaalsContact O-N 3.1Å; L30-T34 PolarHBondContact O-N 3.18Å; L30-T34 PolarHBondContact O-OG1 3.42Å; L30-I41 HydrophobicContact CD2-CD1 4.14Å; L30-E78 HydrophobicContact CD2-CG 3.6Å; L30-D79 HydrophobicContact CD2-CB 4.49Å |
| 31 | V | 86.3 | Confident | 79.9 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.2 | -52.9 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | E27 L33 T34 E35 I652 Y653 | E27-V31 WeakPolarHBondContact O-CG2 3.46Å; E27-V31 PolarHBondContact O-N 3.19Å; V31-L33 VanDerWaalsContact C-N 3.3Å; V31-L33 PolarHBondContact O-N 3.42Å; V31-T34 PolarHBondContact O-N 3.11Å; V31-E35 WeakPolarHBondContact CG1-OE1 3.42Å; V31-E35 WeakPolarHBondContact O-CB 3.31Å; V31-E35 WeakPolarHBondContact O-CG 2.89Å; V31-E35 PolarHBondContact O-N 3.23Å; V31-I652 WeakPolarHBondContact CG2-O 3.35Å; V31-Y653 HydrophobicContact CB-CD1 3.99Å; V31-Y653 HydrophobicContact CB-CE1 4.37Å; V31-Y653 HydrophobicContact CG1-CD1 3.97Å; V31-Y653 HydrophobicContact CG2-CD1 3.62Å; V31-Y653 HydrophobicContact CG2-CE1 4.05Å; V31-Y653 HydrophobicContact CG2-CG 3.9Å |
| 32 | K | 89.1 | Confident | 82.3 | Confident | 93 Ų | 93 | 69 Ų | 69 | 40% | 0.404 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.4 | -27.8 | 179 | -69.8 | 161.5 | -168.9 | 159.9 | 0 | 112.6 | M24 E28 A29 L30 R36 | M24-K32 HydrophobicContact CE-CD 3.59Å; M24-K32 HydrophobicContact SD-CD 4Å; M24-K32 PolarHBondContact SD-NZ 3.02Å; E28-K32 WeakPolarHBondContact O-CD 3.14Å; E28-K32 WeakPolarHBondContact O-CG 3.3Å; E28-K32 PolarHBondContact O-N 3.07Å; E28-K32 VanDerWaalsContact O-N 3.14Å; E28-K32 IonicContact OE2-NZ 2.67Å; E28-K32 PolarHBondContact OE2-NZ 2.77Å; A29-K32 PolarHBondContact O-N 2.86Å; L30-K32 PolarHBondContact O-N 3.4Å; K32-R36 WeakPolarHBondContact O-CB 3.31Å; K32-R36 PolarHBondContact O-N 3.21Å |
| 33 | L | 89.6 | Confident | 84.5 | Confident | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.6 | -51.1 | 174.2 | 178.8 | 59.5 | 0 | 0 | 0 | 111.8 | A29 L30 V31 E35 R36 T37 I41 Y50 I82 | A29-L33 WeakPolarHBondContact O-CB 3.33Å; A29-L33 PolarHBondContact O-N 2.84Å; L30-L33 WeakPolarHBondContact O-CB 3.29Å; L30-L33 PolarHBondContact O-N 2.83Å; L30-L33 VanDerWaalsContact O-N 3.1Å; V31-L33 VanDerWaalsContact C-N 3.3Å; V31-L33 PolarHBondContact O-N 3.42Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 2.14Å; L33-R36 PolarHBondContact O-N 2.82Å; L33-T37 HydrophobicContact CD1-CG2 3.98Å; L33-T37 WeakPolarHBondContact O-CB 3.42Å; L33-T37 VanDerWaalsContact O-CG2 3.3Å; L33-T37 WeakPolarHBondContact O-CG2 3.4Å; L33-T37 PolarHBondContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 3Å; L33-I41 HydrophobicContact CD2-CD1 4.35Å; L33-Y50 HydrophobicContact CD1-CE2 4.23Å; L33-Y50 HydrophobicContact CD2-CD2 4.39Å; L33-Y50 HydrophobicContact CD2-CE2 4.25Å; L33-Y50 HydrophobicContact CG-CE2 4.1Å; L33-I82 HydrophobicContact CD1-CB 4.38Å; L33-I82 HydrophobicContact CD1-CG2 3.96Å; L33-I82 HydrophobicContact CD2-CB 4.13Å; L33-I82 HydrophobicContact CD2-CG1 4.16Å; L33-I82 HydrophobicContact CD2-CG2 4.47Å |
| 34 | T | 88.1 | Confident | 85.9 | Confident | 30 Ų | 30 | 64 Ų | 64 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | L30 V31 T37 S38 I41 Y653 | L30-T34 PolarHBondContact O-N 3.18Å; L30-T34 PolarHBondContact O-OG1 3.42Å; V31-T34 PolarHBondContact O-N 3.11Å; T34-T37 PolarHBondContact O-N 3.13Å; T34-S38 VanDerWaalsContact O-CA 3.23Å; T34-S38 WeakPolarHBondContact O-CA 3.07Å; T34-S38 PolarHBondContact O-N 2.59Å; T34-I41 WeakPolarHBondContact OG1-CD1 3.38Å; T34-Y653 HydrophobicContact CG2-CE1 3.95Å; T34-Y653 PolarHBondContact OG1-OH 3.01Å |
| 35 | E | 89 | Confident | 86.6 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 177.1 | -73.5 | 179.9 | -173.4 | 0 | 0 | 114.2 | V31 L33 T37 K655 | V31-E35 WeakPolarHBondContact CG1-OE1 3.42Å; V31-E35 WeakPolarHBondContact O-CB 3.31Å; V31-E35 WeakPolarHBondContact O-CG 2.89Å; V31-E35 PolarHBondContact O-N 3.23Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 2.14Å; E35-T37 VanDerWaalsContact C-N 3.28Å; E35-T37 PolarHBondContact O-N 3.46Å; E35-K655 VanDerWaalsContact OE1-CD 3.23Å; E35-K655 WeakPolarHBondContact OE1-CD 3.05Å; E35-K655 WeakPolarHBondContact OE1-CE 3.26Å; E35-K655 IonicContact OE1-NZ 2.72Å; E35-K655 PolarHBondContact OE1-NZ 3.12Å; E35-K655 IonicContact OE2-NZ 3.83Å; E35-K655 PolarHBondContact OE2-NZ 3.17Å |
| 36 | R | 92.2 | Very high | 86.9 | Confident | 142 Ų | 142 | 65.3 Ų | 65.3 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -32 | 179.4 | 177.5 | -174.8 | 70.1 | 97.9 | 3.3 | 112.3 | K32 L33 E86 | K32-R36 WeakPolarHBondContact O-CB 3.31Å; K32-R36 PolarHBondContact O-N 3.21Å; L33-R36 PolarHBondContact O-N 2.82Å; R36-E86 IonicContact CZ-OE1 3.05Å; R36-E86 IonicContact CZ-OE2 3.64Å; R36-E86 VanDerWaalsContact CZ-OE2 3.27Å; R36-E86 IonicContact NH1-OE1 2.98Å; R36-E86 IonicContact NH1-OE2 2.82Å; R36-E86 PolarHBondContact NH1-OE2 3.03Å; R36-E86 IonicContact NH2-OE1 2.94Å; R36-E86 PolarHBondContact NH2-OE1 2.94Å; R36-E86 IonicContact NH2-OE2 2.66Å; R36-E86 PolarHBondContact NH2-OE2 2.87Å |
| 37 | T | 90.3 | Very high | 87.7 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -114.9 | -28.1 | -164.2 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | L33 T34 E35 Y39 Y50 | L33-T37 HydrophobicContact CD1-CG2 3.98Å; L33-T37 WeakPolarHBondContact O-CB 3.42Å; L33-T37 VanDerWaalsContact O-CG2 3.3Å; L33-T37 WeakPolarHBondContact O-CG2 3.4Å; L33-T37 PolarHBondContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 3Å; T34-T37 PolarHBondContact O-N 3.13Å; E35-T37 VanDerWaalsContact C-N 3.28Å; E35-T37 PolarHBondContact O-N 3.46Å; T37-Y39 WeakPolarHBondContact O-CD2 2.91Å; T37-Y39 PolarHBondContact O-N 3.29Å; T37-Y39 PolarHBondContact OG1-N 3.43Å; T37-Y50 WeakPolarHBondContact CG2-OH 3.43Å |
| 38 | S | 90.8 | Very high | 88.4 | Confident | 79 Ų | 79 | 62 Ų | 62 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | trans | 55.8 | 22.2 | -167.6 | -55.9 | 0 | 0 | 0 | 0 | 114.4 | T34 P54 | T34-S38 VanDerWaalsContact O-CA 3.23Å; T34-S38 WeakPolarHBondContact O-CA 3.07Å; T34-S38 PolarHBondContact O-N 2.59Å; S38-P54 WeakPolarHBondContact O-CB 3.29Å; S38-P54 VanDerWaalsContact O-CG 3.25Å; S38-P54 WeakPolarHBondContact O-CG 3.19Å | ||
| 39 | Y | 92.7 | Very high | 88.8 | Confident | 22 Ų | 22 | 59 Ų | 59 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | trans | -77.2 | 140.3 | 171.1 | -78 | -131.2 | 0 | 0 | 0 | 108.7 | T37 Y50 P53 K90 I91 | T37-Y39 WeakPolarHBondContact O-CD2 2.91Å; T37-Y39 PolarHBondContact O-N 3.29Å; T37-Y39 PolarHBondContact OG1-N 3.43Å; Y39-Y50 VanDerWaalsContact CB-CE2 3.5Å; Y39-Y50 AromaticContact CD1-CD1 3.94Å; Y39-Y50 HydrophobicContact CD1-CD1 3.94Å; Y39-Y50 AromaticContact CD1-CE1 3.47Å; Y39-Y50 HydrophobicContact CD1-CE1 3.47Å; Y39-Y50 VanDerWaalsContact CD1-CE1 3.47Å; Y39-Y50 HydrophobicContact CD1-CE2 4.24Å; Y39-Y50 AromaticContact CD1-CZ 3.64Å; Y39-Y50 AromaticContact CE1-CE1 3.9Å; Y39-Y50 HydrophobicContact CE1-CE1 3.9Å; Y39-Y50 AromaticContact CG-CE1 3.99Å; Y39-Y50 HydrophobicContact CG-CE1 3.99Å; Y39-Y50 AromaticContact CG-CE2 3.95Å; Y39-Y50 HydrophobicContact CG-CE2 3.95Å; Y39-Y50 AromaticContact CG-CZ 3.64Å; Y39-P53 HydrophobicContact CE1-CB 3.87Å; Y39-P53 HydrophobicContact CE1-CG 3.72Å; Y39-P53 HydrophobicContact CE2-CB 4.1Å; Y39-K90 WeakPolarHBondContact OH-CE 3.05Å; Y39-I91 PolarHBondContact OH-O 2.97Å | ||
| 40 | P | 90.1 | Very high | 89.2 | Confident | 49 Ų | 49 | 58 Ų | 58 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | trans | -67.5 | 143.9 | 169.6 | 30.9 | -33.9 | 0 | 0 | 0 | 109.8 | L42 Y50 G51 P52 | P40-L42 HydrophobicContact CB-CG 4.44Å; P40-Y50 WeakPolarHBondContact O-CA 3.41Å; P40-G51 PolarHBondContact O-N 3.13Å; P40-P52 VanDerWaalsContact CD-O 3.26Å; P40-P52 WeakPolarHBondContact CD-O 3.04Å | ||
| 41 | I | 90.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.5 | 165.3 | -58.5 | -179.9 | 0 | 0 | 0 | 106.3 | L30 L33 T34 C49 Y50 E78 | L30-I41 HydrophobicContact CD2-CD1 4.14Å; L33-I41 HydrophobicContact CD2-CD1 4.35Å; T34-I41 WeakPolarHBondContact OG1-CD1 3.38Å; I41-C49 CarbonylContact C-O 3.54Å; I41-C49 WeakPolarHBondContact CA-O 3.08Å; I41-Y50 HydrophobicContact CD1-CD2 4.27Å; I41-Y50 HydrophobicContact CG1-CD2 3.94Å; I41-E78 HydrophobicContact CD1-CG 4.37Å |
| 42 | L | 89.9 | Confident | 89.8 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 56% | 0.56 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.5 | -174 | -64.1 | 172.6 | 0 | 0 | 0 | 110.2 | P40 C49 | P40-L42 HydrophobicContact CB-CG 4.44Å; L42-C49 PolarHBondContact N-O 2.94Å; L42-C49 PolarHBondContact O-N 3.1Å |
| 43 | Q | 87.5 | Confident | 89.9 | Confident | 140 Ų | 140 | 55.6 Ų | 55.6 | 65% | 0.654 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.3 | 169.7 | -172.1 | 157.4 | -55.4 | 0 | 0 | 109.1 | Q47 R48 | Q43-Q47 WeakPolarHBondContact CA-O 3.03Å; Q43-R48 HydrophobicContact CB-CG 4.28Å; Q43-R48 HydrophobicContact CG-CG 4.17Å; Q43-R48 VanDerWaalsContact OE1-CD 3.3Å |
| 44 | E | 81.8 | Confident | 89.6 | Confident | 102 Ų | 102 | 58.2 Ų | 58.2 | 48% | 0.477 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 129.4 | -179.4 | -169.9 | -148.1 | 121.4 | 0 | 0 | 109 | G46 Q47 K199 | E44-G46 VanDerWaalsContact C-N 3.31Å; E44-G46 PolarHBondContact O-N 3.45Å; E44-G46 VanDerWaalsContact O-N 3.15Å; E44-Q47 PolarHBondContact N-O 3.22Å; E44-Q47 WeakPolarHBondContact O-CB 2.92Å; E44-Q47 PolarHBondContact O-N 3.39Å; E44-K199 IonicContact OE1-NZ 3.51Å |
| 45 | N | 80.2 | Confident | 89.4 | Confident | 132 Ų | 132 | 62.5 Ų | 62.5 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 45 | 168.6 | -69.8 | -53.3 | 0 | 0 | 0 | 114.3 | ||
| 46 | G | 83.3 | Confident | 89.3 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 26% | 0.258 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 26 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E44 M98 | E44-G46 VanDerWaalsContact C-N 3.31Å; E44-G46 PolarHBondContact O-N 3.45Å; E44-G46 VanDerWaalsContact O-N 3.15Å; G46-M98 WeakPolarHBondContact O-CB 3.44Å; G46-M98 PolarHBondContact O-N 2.87Å |
| 47 | Q | 91.8 | Very high | 88.8 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.1 | 178.4 | -47.4 | -176 | 25.9 | 0 | 0 | 110.6 | Q43 E44 L96 M97 | Q43-Q47 WeakPolarHBondContact CA-O 3.03Å; E44-Q47 PolarHBondContact N-O 3.22Å; E44-Q47 WeakPolarHBondContact O-CB 2.92Å; E44-Q47 PolarHBondContact O-N 3.39Å; Q47-L96 CarbonylContact C-O 3.55Å; Q47-L96 WeakPolarHBondContact CA-O 3.04Å; Q47-M97 HydrophobicContact CG-CE 4.22Å; Q47-M97 HydrophobicContact CG-SD 3.64Å |
| 48 | R | 94.3 | Very high | 88.5 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 114.6 | 167.3 | -79.5 | 170.3 | 68.4 | 159.9 | -5.7 | 109 | H26 Q43 E78 R95 L96 M98 | H26-R48 PolarHBondContact NE2-NH2 3.21Å; Q43-R48 HydrophobicContact CB-CG 4.28Å; Q43-R48 HydrophobicContact CG-CG 4.17Å; Q43-R48 VanDerWaalsContact OE1-CD 3.3Å; R48-E78 IonicContact CZ-OE1 3.8Å; R48-E78 VanDerWaalsContact CZ-OE1 3.23Å; R48-E78 IonicContact CZ-OE2 3.93Å; R48-E78 IonicContact NE-OE1 2.94Å; R48-E78 PolarHBondContact NE-OE1 2.95Å; R48-E78 IonicContact NE-OE2 3.57Å; R48-E78 PolarHBondContact NE-OE2 3.21Å; R48-E78 VanDerWaalsContact NH2-CD 3.27Å; R48-E78 IonicContact NH2-OE1 3.74Å; R48-E78 PolarHBondContact NH2-OE1 3.3Å; R48-E78 IonicContact NH2-OE2 3.29Å; R48-E78 PolarHBondContact NH2-OE2 2.95Å; R48-R95 WeakPolarHBondContact O-CA 3.47Å; R48-L96 HydrophobicContact CB-CB 4.31Å; R48-L96 PolarHBondContact N-O 3.48Å; R48-L96 PolarHBondContact O-N 2.81Å; R48-M98 HydrophobicContact CB-CG 4.31Å; R48-M98 HydrophobicContact CB-SD 4.36Å; R48-M98 HydrophobicContact CG-CG 3.91Å; R48-M98 HydrophobicContact CG-SD 4.16Å |
| 49 | C | 93.5 | Very high | 88.2 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.1 | -171.8 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | I41 L42 F94 | I41-C49 CarbonylContact C-O 3.54Å; I41-C49 WeakPolarHBondContact CA-O 3.08Å; L42-C49 PolarHBondContact N-O 2.94Å; L42-C49 PolarHBondContact O-N 3.1Å; C49-F94 CarbonylContact C-O 3.56Å; C49-F94 WeakPolarHBondContact CA-O 3.3Å |
| 50 | Y | 95.4 | Very high | 88 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.9 | 171.6 | 164.3 | -87.7 | 0 | 0 | 0 | 109.5 | L33 T37 Y39 P40 I41 I82 E86 I91 M93 F94 | L33-Y50 HydrophobicContact CD1-CE2 4.23Å; L33-Y50 HydrophobicContact CD2-CD2 4.39Å; L33-Y50 HydrophobicContact CD2-CE2 4.25Å; L33-Y50 HydrophobicContact CG-CE2 4.1Å; T37-Y50 WeakPolarHBondContact CG2-OH 3.43Å; Y39-Y50 VanDerWaalsContact CB-CE2 3.5Å; Y39-Y50 AromaticContact CD1-CD1 3.94Å; Y39-Y50 HydrophobicContact CD1-CD1 3.94Å; Y39-Y50 AromaticContact CD1-CE1 3.47Å; Y39-Y50 HydrophobicContact CD1-CE1 3.47Å; Y39-Y50 VanDerWaalsContact CD1-CE1 3.47Å; Y39-Y50 HydrophobicContact CD1-CE2 4.24Å; Y39-Y50 AromaticContact CD1-CZ 3.64Å; Y39-Y50 AromaticContact CE1-CE1 3.9Å; Y39-Y50 HydrophobicContact CE1-CE1 3.9Å; Y39-Y50 AromaticContact CG-CE1 3.99Å; Y39-Y50 HydrophobicContact CG-CE1 3.99Å; Y39-Y50 AromaticContact CG-CE2 3.95Å; Y39-Y50 HydrophobicContact CG-CE2 3.95Å; Y39-Y50 AromaticContact CG-CZ 3.64Å; P40-Y50 WeakPolarHBondContact O-CA 3.41Å; I41-Y50 HydrophobicContact CD1-CD2 4.27Å; I41-Y50 HydrophobicContact CG1-CD2 3.94Å; Y50-I82 HydrophobicContact CD1-CD1 3.43Å; Y50-I82 VanDerWaalsContact CD1-CD1 3.43Å; Y50-I82 HydrophobicContact CD1-CG1 4.05Å; Y50-I82 HydrophobicContact CD1-CG2 4.49Å; Y50-I82 HydrophobicContact CD2-CG1 4.36Å; Y50-I82 HydrophobicContact CE1-CD1 3.78Å; Y50-I82 HydrophobicContact CE1-CG1 4.22Å; Y50-I82 HydrophobicContact CE1-CG2 3.83Å; Y50-I82 HydrophobicContact CE2-CG2 4.28Å; Y50-I82 HydrophobicContact CG-CD1 3.86Å; Y50-I82 HydrophobicContact CG-CG1 4.11Å; Y50-E86 PolarHBondContact OH-OE1 3.15Å; Y50-I91 HydrophobicContact CD1-CG2 4.35Å; Y50-I91 HydrophobicContact CE1-CG2 4.31Å; Y50-M93 CarbonylContact O-C 3.58Å; Y50-M93 VanDerWaalsContact O-CA 3.31Å; Y50-M93 WeakPolarHBondContact O-CA 3.45Å; Y50-F94 HydrophobicContact CD1-CB 4.25Å; Y50-F94 PolarHBondContact N-O 2.86Å; Y50-F94 PolarHBondContact O-N 3.01Å |
| 51 | G | 92.8 | Very high | 88 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | trans | 101.2 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P40 | P40-G51 PolarHBondContact O-N 3.13Š| ||
| 52 | P | 92.2 | Very high | 87.6 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | cis | -74.7 | 169.6 | 13.4 | 31 | -37.5 | 0 | 0 | 0 | 114.8 | P40 Y92 | P40-P52 VanDerWaalsContact CD-O 3.26Å; P40-P52 WeakPolarHBondContact CD-O 3.04Å; P52-Y92 WeakPolarHBondContact CA-O 3.46Å; P52-Y92 HydrophobicContact CB-CE2 4.07Å | ||
| 53 | P | 92.1 | Very high | 87.1 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | trans | -64.9 | 138.1 | -178 | -16.9 | 31 | 0 | 0 | 0 | 111.1 | Y39 N55 W56 Y92 | Y39-P53 HydrophobicContact CE1-CB 3.87Å; Y39-P53 HydrophobicContact CE1-CG 3.72Å; Y39-P53 HydrophobicContact CE2-CB 4.1Å; P53-N55 PolarHBondContact O-N 2.97Å; P53-W56 HydrophobicContact CB-CB 4.2Å; P53-W56 HydrophobicContact CG-CB 4.25Å; P53-W56 HydrophobicContact CG-CE3 4.34Å; P53-W56 WeakPolarHBondContact O-CB 3.15Å; P53-W56 PolarHBondContact O-N 3.44Å; P53-Y92 WeakPolarHBondContact CD-O 3.49Å; P53-Y92 HydrophobicContact CG-CD2 4.24Å | ||
| 54 | P | 82.7 | Confident | 87 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.7 | -170 | 25.5 | -37.5 | 0 | 0 | 0 | 115.6 | S38 | S38-P54 WeakPolarHBondContact O-CB 3.29Å; S38-P54 VanDerWaalsContact O-CG 3.25Å; S38-P54 WeakPolarHBondContact O-CG 3.19Å |
| 55 | N | 84 | Confident | 87.5 | Confident | 120 Ų | 120 | 61.4 Ų | 61.4 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | 32.1 | 177.6 | -73.3 | -65.4 | 0 | 0 | 0 | 112 | P53 Y57 | P53-N55 PolarHBondContact O-N 2.97Å; N55-Y57 HydrophobicContact CB-CE2 4.13Å; N55-Y57 VanDerWaalsContact O-CD2 3.3Å; N55-Y57 WeakPolarHBondContact O-CD2 3.31Å; N55-Y57 PolarHBondContact O-N 2.92Å |
| 56 | W | 86.6 | Confident | 88.1 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | trans | -84.9 | 96 | 177.1 | -172.2 | -88.1 | 0 | 0 | 0 | 112.3 | P53 G58 P59 Y92 T113 | P53-W56 HydrophobicContact CB-CB 4.2Å; P53-W56 HydrophobicContact CG-CB 4.25Å; P53-W56 HydrophobicContact CG-CE3 4.34Å; P53-W56 WeakPolarHBondContact O-CB 3.15Å; P53-W56 PolarHBondContact O-N 3.44Å; W56-G58 PolarHBondContact NE1-O 3.04Å; W56-G58 PolarHBondContact O-N 2.96Å; W56-P59 PolarHBondContact NE1-O 3.5Å; W56-Y92 AromaticContact CD1-CE2 3.64Å; W56-Y92 AromaticContact CD2-CD2 3.91Å; W56-Y92 HydrophobicContact CD2-CD2 3.91Å; W56-Y92 AromaticContact CD2-CE2 3.93Å; W56-Y92 HydrophobicContact CD2-CE2 3.93Å; W56-Y92 AromaticContact CE2-CD2 3.95Å; W56-Y92 AromaticContact CE2-CE2 3.83Å; W56-Y92 HydrophobicContact CE3-CD2 4.32Å; W56-Y92 HydrophobicContact CG-CD2 4.19Å; W56-Y92 AromaticContact CG-CE2 3.8Å; W56-Y92 HydrophobicContact CG-CE2 3.8Å; W56-Y92 HydrophobicContact CZ2-CD2 4.37Å; W56-Y92 AromaticContact NE1-CE2 3.62Å; W56-T113 HydrophobicContact CE3-CG2 4.13Å; W56-T113 HydrophobicContact CH2-CG2 3.84Å; W56-T113 HydrophobicContact CZ3-CG2 3.39Å | ||
| 57 | Y | 81.7 | Confident | 88.6 | Confident | 203 Ų | 203 | 54.5 Ų | 54.5 | 80% | 0.796 | 29% | 0.291 | S | S | * | . | trans | -96.6 | 87.3 | 174.5 | -58.8 | -81.6 | 0 | 0 | 0 | 110.4 | N55 | N55-Y57 HydrophobicContact CB-CE2 4.13Å; N55-Y57 VanDerWaalsContact O-CD2 3.3Å; N55-Y57 WeakPolarHBondContact O-CD2 3.31Å; N55-Y57 PolarHBondContact O-N 2.92Å | ||
| 58 | G | 83.6 | Confident | 88.8 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 170.3 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W56 | W56-G58 PolarHBondContact NE1-O 3.04Å; W56-G58 PolarHBondContact O-N 2.96Å |
| 59 | P | 86.2 | Confident | 88.9 | Confident | 113 Ų | 113 | 51.2 Ų | 51.2 | 73% | 0.734 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 161.2 | 173.3 | 29.3 | -35.9 | 0 | 0 | 0 | 111.4 | W56 | W56-P59 PolarHBondContact NE1-O 3.5Š|
| 60 | K | 87 | Confident | 89.1 | Confident | 129 Ų | 129 | 50.4 Ų | 50.4 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 151 | 168.6 | 68 | -175.4 | 179.5 | -172.2 | 0 | 111 | Y92 | K60-Y92 HydrophobicContact CB-CE1 4.26Š|
| 61 | P | 90.5 | Very high | 89.1 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.071 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 149.7 | 177.5 | -23.5 | 33.2 | 0 | 0 | 0 | 112.7 | C65 Y92 L111 Y112 | P61-C65 HydrophobicContact CB-CB 4.01Å; P61-Y92 HydrophobicContact CG-CD1 3.93Å; P61-Y92 HydrophobicContact CG-CD2 3.88Å; P61-Y92 HydrophobicContact CG-CE1 4.5Å; P61-Y92 HydrophobicContact CG-CE2 4.46Å; P61-Y92 HydrophobicContact CG-CG 3.57Å; P61-L111 HydrophobicContact CB-CD1 4.09Å; P61-L111 HydrophobicContact CG-CD1 4.42Å; P61-L111 HydrophobicContact CG-CG 4.36Å; P61-Y112 VanDerWaalsContact CB-O 3.28Å; P61-Y112 WeakPolarHBondContact CB-O 3.28Å; P61-Y112 WeakPolarHBondContact CG-O 3.35Å |
| 62 | P | 83.1 | Confident | 89.4 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 163.7 | -176 | 28.3 | -34.6 | 0 | 0 | 0 | 113.2 | C65 | P62-C65 WeakPolarHBondContact O-CB 3.34Å; P62-C65 PolarHBondContact O-N 3.47Å; P62-C65 PolarHBondContact O-SG 2.82Å |
| 63 | K | 79.8 | Confident | 89.5 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 142.7 | 178.4 | -67.7 | -168.6 | -178.5 | -173.4 | 0 | 112.1 | C65 R115 D143 C145 E196 | K63-C65 VanDerWaalsContact C-N 3.35Å; K63-R115 PolarHBondContact O-NH2 2.94Å; K63-D143 WeakPolarHBondContact CA-OD2 3.24Å; K63-D143 WeakPolarHBondContact CB-OD2 3.28Å; K63-D143 HydrophobicContact CD-CB 4.34Å; K63-C145 PolarHBondContact NZ-SG 2.94Å; K63-E196 WeakPolarHBondContact CE-O 3.38Å; K63-E196 PolarHBondContact NZ-O 3.35Å; K63-E196 VanDerWaalsContact NZ-O 3.09Å |
| 64 | G | 84.2 | Confident | 89.6 | Confident | 8 Ų | 8 | 55 Ų | 55 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 26.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D143 | G64-D143 PolarHBondContact N-OD2 3.49Š|
| 65 | C | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | trans | -97.1 | 2.6 | 161.4 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | P61 P62 K63 L111 Y112 R115 T118 | P61-C65 HydrophobicContact CB-CB 4.01Å; P62-C65 WeakPolarHBondContact O-CB 3.34Å; P62-C65 PolarHBondContact O-N 3.47Å; P62-C65 PolarHBondContact O-SG 2.82Å; K63-C65 VanDerWaalsContact C-N 3.35Å; C65-L111 HydrophobicContact CB-CD1 3.77Å; C65-Y112 WeakPolarHBondContact CB-O 3.29Å; C65-Y112 PolarHBondContact O-N 3.37Å; C65-R115 PolarHBondContact SG-N 2.92Å; C65-R115 VanDerWaalsContact SG-N 3.42Å; C65-T118 VanDerWaalsContact C-CG2 3.44Å; C65-T118 WeakPolarHBondContact CA-OG1 3.32Å; C65-T118 WeakPolarHBondContact O-CG2 3.24Å; C65-T118 PolarHBondContact O-OG1 3.46Å | ||
| 66 | E | 92.7 | Very high | 90.5 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.1 | -177.5 | -168.8 | 179.4 | -108.4 | 0 | 0 | 112.3 | R95 F109 C110 L111 S141 | E66-R95 IonicContact OE1-CZ 2.69Å; E66-R95 IonicContact OE1-NE 2.68Å; E66-R95 IonicContact OE1-NH2 3.18Å; E66-R95 PolarHBondContact OE1-NH2 2.83Å; E66-R95 IonicContact OE2-NH2 3.2Å; E66-F109 HydrophobicContact CG-CB 4.12Å; E66-F109 HydrophobicContact CG-CD1 4.33Å; E66-F109 WeakPolarHBondContact OE2-CD1 3.48Å; E66-C110 WeakPolarHBondContact CA-O 3.21Å; E66-L111 HydrophobicContact CB-CB 4.35Å; E66-L111 HydrophobicContact CB-CD1 4.05Å; E66-L111 HydrophobicContact CG-CB 4.23Å; E66-S141 VanDerWaalsContact O-CB 3.31Å; E66-S141 WeakPolarHBondContact O-CB 3.25Å; E66-S141 PolarHBondContact O-N 3.18Å; E66-S141 VanDerWaalsContact OE2-CB 3.26Å; E66-S141 WeakPolarHBondContact OE2-CB 3.49Å; E66-S141 PolarHBondContact OE2-OG 3.35Å |
| 67 | V | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.3 | 164.6 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | I69 F85 F109 C110 Y112 T118 A121 V122 V138 C139 | V67-I69 HydrophobicContact CG2-CD1 4.46Å; V67-I69 HydrophobicContact CG2-CG1 4.11Å; V67-F85 HydrophobicContact CG2-CE1 4.43Å; V67-F109 WeakPolarHBondContact O-CA 3.37Å; V67-C110 HydrophobicContact CG2-CB 3.78Å; V67-C110 PolarHBondContact N-O 3.22Å; V67-C110 PolarHBondContact O-N 3.32Å; V67-Y112 HydrophobicContact CG2-CE2 4.08Å; V67-T118 HydrophobicContact CG1-CG2 3.62Å; V67-A121 HydrophobicContact CG1-CB 4.09Å; V67-V122 HydrophobicContact CG1-CG2 3.63Å; V67-V138 HydrophobicContact CB-CG1 3.94Å; V67-V138 HydrophobicContact CG1-CG1 4.22Å; V67-V138 HydrophobicContact CG2-CG1 4.03Å; V67-C139 CarbonylContact C-O 3.57Å; V67-C139 VanDerWaalsContact CA-O 3.24Å; V67-C139 WeakPolarHBondContact CA-O 3.38Å; V67-C139 WeakPolarHBondContact CB-O 3.17Å |
| 68 | F | 95.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 38 Ų | 38 | 9% | 0.088 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.6 | 160 | 169.4 | -89.3 | 0 | 0 | 0 | 109 | Y107 F109 V138 C139 F341 | F68-Y107 AromaticContact CE2-CD2 3.75Å; F68-Y107 HydrophobicContact CE2-CD2 3.75Å; F68-Y107 HydrophobicContact CE2-CG 4.06Å; F68-Y107 HydrophobicContact CZ-CG 4.41Å; F68-F109 HydrophobicContact CB-CD1 4.41Å; F68-F109 HydrophobicContact CB-CE1 4.23Å; F68-F109 AromaticContact CD2-CE1 3.85Å; F68-F109 HydrophobicContact CD2-CE1 3.85Å; F68-F109 HydrophobicContact CD2-CE2 4.48Å; F68-F109 AromaticContact CD2-CZ 3.83Å; F68-F109 HydrophobicContact CD2-CZ 3.83Å; F68-F109 HydrophobicContact CE2-CZ 4.46Å; F68-V138 WeakPolarHBondContact O-CA 3.36Å; F68-C139 PolarHBondContact N-O 2.62Å; F68-C139 PolarHBondContact O-N 3.07Å; F68-F341 HydrophobicContact CD1-CE2 4.47Å; F68-F341 HydrophobicContact CD2-CE2 4.37Å; F68-F341 HydrophobicContact CD2-CZ 4.16Å; F68-F341 AromaticContact CE1-CE2 3.94Å; F68-F341 HydrophobicContact CE1-CE2 3.94Å; F68-F341 AromaticContact CE2-CE2 3.8Å; F68-F341 HydrophobicContact CE2-CE2 3.8Å; F68-F341 AromaticContact CE2-CZ 3.89Å; F68-F341 HydrophobicContact CE2-CZ 3.89Å; F68-F341 HydrophobicContact CZ-CD2 4.15Å; F68-F341 AromaticContact CZ-CE2 3.56Å; F68-F341 HydrophobicContact CZ-CE2 3.56Å; F68-F341 HydrophobicContact CZ-CZ 4.14Å |
| 69 | I | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.3 | 179.5 | -52.7 | 159.8 | 0 | 0 | 0 | 106.7 | V67 I72 F85 F94 Y107 G108 C110 G137 V138 | V67-I69 HydrophobicContact CG2-CD1 4.46Å; V67-I69 HydrophobicContact CG2-CG1 4.11Å; I69-I72 HydrophobicContact CB-CD1 4.29Å; I69-I72 HydrophobicContact CG2-CD1 3.83Å; I69-I72 HydrophobicContact CG2-CG1 3.82Å; I69-F85 HydrophobicContact CB-CZ 4.26Å; I69-F85 HydrophobicContact CD1-CD1 3.99Å; I69-F85 HydrophobicContact CD1-CD2 4.12Å; I69-F85 HydrophobicContact CD1-CE1 3.53Å; I69-F85 HydrophobicContact CD1-CE2 3.68Å; I69-F85 HydrophobicContact CD1-CG 4.29Å; I69-F85 HydrophobicContact CD1-CZ 3.38Å; I69-F85 HydrophobicContact CG1-CE1 3.69Å; I69-F85 HydrophobicContact CG1-CE2 4.29Å; I69-F85 HydrophobicContact CG1-CZ 3.54Å; I69-F85 HydrophobicContact CG2-CE2 4.14Å; I69-F85 HydrophobicContact CG2-CZ 3.67Å; I69-F94 HydrophobicContact CD1-CD2 4.35Å; I69-F94 HydrophobicContact CD1-CE2 3.42Å; I69-F94 VanDerWaalsContact CD1-CE2 3.42Å; I69-F94 HydrophobicContact CD1-CZ 3.82Å; I69-Y107 CarbonylContact O-C 3.47Å; I69-Y107 WeakPolarHBondContact O-CA 3.26Å; I69-Y107 VanDerWaalsContact O-CB 3.23Å; I69-Y107 WeakPolarHBondContact O-CB 3.34Å; I69-G108 PolarHBondContact N-O 2.89Å; I69-G108 PolarHBondContact O-N 2.84Å; I69-C110 HydrophobicContact CD1-CB 3.81Å; I69-G137 CarbonylContact C-O 3.6Å; I69-G137 WeakPolarHBondContact CA-O 3.13Å; I69-V138 HydrophobicContact CG2-CG2 4.45Å |
| 70 | G | 96.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 174.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I72 G106 G137 | G70-I72 PolarHBondContact O-N 3.21Å; G70-G106 CarbonylContact C-O 3.59Å; G70-G137 PolarHBondContact N-O 2.92Å; G70-G137 PolarHBondContact O-N 3Å |
| 71 | K | 96.3 | Very high | 92.7 | Very high | 69 Ų | 69 | 29.1 Ų | 29.1 | 30% | 0.3 | 15% | 0.145 | S | C | . | . | trans | 61.2 | 26.5 | -172.7 | -51.5 | -172.9 | 177.7 | -168.7 | 0 | 113.5 | G106 L135 Y340 | K71-G106 PolarHBondContact N-O 3.17Å; K71-G106 VanDerWaalsContact N-O 3.12Å; K71-L135 WeakPolarHBondContact CB-O 3.33Å; K71-Y340 HydrophobicContact CG-CD2 4.15Å; K71-Y340 HydrophobicContact CG-CE2 3.89Å | ||
| 72 | I | 97.6 | Very high | 93 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | trans | -64.7 | 134.6 | 168.9 | -50.8 | -179 | 0 | 0 | 0 | 107.5 | I69 G70 C76 L81 L96 G106 L136 | I69-I72 HydrophobicContact CB-CD1 4.29Å; I69-I72 HydrophobicContact CG2-CD1 3.83Å; I69-I72 HydrophobicContact CG2-CG1 3.82Å; G70-I72 PolarHBondContact O-N 3.21Å; I72-C76 HydrophobicContact CG2-CB 4.13Å; I72-L81 HydrophobicContact CD1-CD1 4.33Å; I72-L81 HydrophobicContact CG2-CD1 3.99Å; I72-L81 HydrophobicContact CG2-CD2 4.23Å; I72-L96 HydrophobicContact CD1-CD1 3.83Å; I72-G106 PolarHBondContact N-O 2.79Å; I72-G106 WeakPolarHBondContact O-CA 3.14Å; I72-L136 HydrophobicContact CG1-CD2 4.26Å | ||
| 73 | P | 95.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 7% | 0.065 | 14% | 0.135 | C | C | . | . | trans | -60.9 | 137.4 | 168.6 | -19.6 | 31.7 | 0 | 0 | 0 | 110.3 | D75 C76 N104 I130 K134 | P73-D75 WeakPolarHBondContact CB-OD1 3.28Å; P73-D75 PolarHBondContact O-N 2.87Å; P73-C76 HydrophobicContact CB-CB 3.89Å; P73-C76 HydrophobicContact CG-CB 4.03Å; P73-C76 WeakPolarHBondContact O-CB 3.19Å; P73-C76 PolarHBondContact O-N 3.29Å; P73-N104 PolarHBondContact O-ND2 2.89Å; P73-N104 PolarHBondContact O-OD1 3.1Å; P73-I130 HydrophobicContact CG-CG2 4.22Å; P73-K134 HydrophobicContact CG-CB 4.18Å; P73-K134 HydrophobicContact CG-CG 4.22Å | ||
| 74 | R | 93.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 24.6 Ų | 24.6 | 36% | 0.358 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -26.4 | -176.9 | -63.6 | -78.8 | -68.6 | 179.6 | -6.1 | 113.7 | D99 L103 N104 | R74-D99 IonicContact CZ-OD2 3.76Å; R74-D99 IonicContact NH1-OD2 3.79Å; R74-D99 PolarHBondContact NH1-OD2 3.17Å; R74-D99 IonicContact NH2-OD2 2.92Å; R74-D99 PolarHBondContact NH2-OD2 2.91Å; R74-L103 HydrophobicContact CB-CB 4.32Å; R74-L103 HydrophobicContact CB-CD1 4.3Å; R74-L103 WeakPolarHBondContact O-CB 3.5Å; R74-N104 VanDerWaalsContact C-ND2 3.32Å; R74-N104 VanDerWaalsContact CD-O 3.25Å; R74-N104 WeakPolarHBondContact CD-O 3.25Å; R74-N104 PolarHBondContact NE-O 3.11Å; R74-N104 PolarHBondContact NH1-O 2.82Å; R74-N104 PolarHBondContact O-N 3.11Å; R74-N104 PolarHBondContact O-ND2 2.86Å; R74-N104 VanDerWaalsContact O-ND2 3.11Å |
| 75 | D | 91.1 | Very high | 94.9 | Very high | 86 Ų | 86 | 24.2 Ų | 24.2 | 46% | 0.46 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 24.5 | -174.4 | 69 | -36.2 | 0 | 0 | 0 | 113 | P73 R131 | P73-D75 WeakPolarHBondContact CB-OD1 3.28Å; P73-D75 PolarHBondContact O-N 2.87Å; D75-R131 PolarHBondContact O-NH2 2.89Å; D75-R131 IonicContact OD1-CZ 2.72Å; D75-R131 IonicContact OD1-NH1 3.27Å; D75-R131 PolarHBondContact OD1-NH1 3.11Å; D75-R131 IonicContact OD2-CZ 3.53Å; D75-R131 IonicContact OD2-NH1 3.44Å; D75-R131 PolarHBondContact OD2-NH1 2.89Å; D75-R131 IonicContact OD2-NH2 2.78Å |
| 76 | C | 93.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -123.3 | 123.1 | -176.5 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | I72 P73 E80 N104 I130 | I72-C76 HydrophobicContact CG2-CB 4.13Å; P73-C76 HydrophobicContact CB-CB 3.89Å; P73-C76 HydrophobicContact CG-CB 4.03Å; P73-C76 WeakPolarHBondContact O-CB 3.19Å; P73-C76 PolarHBondContact O-N 3.29Å; C76-E80 PolarHBondContact SG-OE2 3.07Å; C76-E80 VanDerWaalsContact SG-OE2 3.4Å; C76-N104 PolarHBondContact O-ND2 2.87Å; C76-I130 WeakPolarHBondContact SG-CD1 3.34Å | ||
| 77 | F | 94.5 | Very high | 95.2 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 11% | 0.114 | 16% | 0.156 | C | C | . | . | trans | -122.5 | -177 | -165.6 | -67.2 | -93.1 | 0 | 0 | 0 | 111.8 | H26 D79 E80 L81 L96 M98 | H26-F77 WeakPolarHBondContact CE1-CB 3.43Å; H26-F77 AromaticContact CE1-CG 3.78Å; H26-F77 AromaticContact NE2-CG 3.87Å; F77-D79 WeakPolarHBondContact CB-OD1 3.37Å; F77-D79 PolarHBondContact O-N 3.38Å; F77-D79 VanDerWaalsContact O-N 3.14Å; F77-E80 PolarHBondContact O-N 2.98Å; F77-E80 VanDerWaalsContact O-N 3.09Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 WeakPolarHBondContact O-CD1 2.94Å; F77-L81 VanDerWaalsContact O-CG 3.27Å; F77-L81 WeakPolarHBondContact O-CG 3.49Å; F77-L81 PolarHBondContact O-N 2.7Å; F77-L96 HydrophobicContact CB-CD2 4.45Å; F77-L96 HydrophobicContact CD1-CD2 3.91Å; F77-L96 HydrophobicContact CG-CD2 4.45Å; F77-M98 HydrophobicContact CD1-CE 4.47Å; F77-M98 HydrophobicContact CE1-CE 3.62Å; F77-M98 HydrophobicContact CE1-SD 4.43Å; F77-M98 HydrophobicContact CZ-CE 4.42Å | ||
| 78 | E | 93.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -21.7 | -177.2 | 56.2 | -89.9 | -154.8 | 0 | 0 | 114.7 | L30 I41 R48 I82 | L30-E78 HydrophobicContact CD2-CG 3.6Å; I41-E78 HydrophobicContact CD1-CG 4.37Å; R48-E78 IonicContact CZ-OE1 3.8Å; R48-E78 VanDerWaalsContact CZ-OE1 3.23Å; R48-E78 IonicContact CZ-OE2 3.93Å; R48-E78 IonicContact NE-OE1 2.94Å; R48-E78 PolarHBondContact NE-OE1 2.95Å; R48-E78 IonicContact NE-OE2 3.57Å; R48-E78 PolarHBondContact NE-OE2 3.21Å; R48-E78 VanDerWaalsContact NH2-CD 3.27Å; R48-E78 IonicContact NH2-OE1 3.74Å; R48-E78 PolarHBondContact NH2-OE1 3.3Å; R48-E78 IonicContact NH2-OE2 3.29Å; R48-E78 PolarHBondContact NH2-OE2 2.95Å; E78-I82 HydrophobicContact CB-CG1 3.82Å; E78-I82 WeakPolarHBondContact O-CB 3.08Å; E78-I82 WeakPolarHBondContact O-CG1 3.28Å; E78-I82 PolarHBondContact O-N 2.9Å |
| 79 | D | 92.5 | Very high | 95.2 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.3 | -37.7 | 172.5 | 63.4 | -30.1 | 0 | 0 | 0 | 113.7 | H26 A29 L30 F77 P83 | H26-D79 VanDerWaalsContact CE1-CG 3.49Å; H26-D79 IonicContact CE1-OD1 2.97Å; H26-D79 PolarHBondContact CE1-OD1 3.07Å; H26-D79 VanDerWaalsContact CE1-OD1 3.32Å; H26-D79 IonicContact CE1-OD2 3.44Å; H26-D79 IonicContact CG-OD2 3.3Å; H26-D79 IonicContact ND1-OD1 3.8Å; H26-D79 PolarHBondContact ND1-OD1 3.25Å; H26-D79 IonicContact ND1-OD2 3.97Å; H26-D79 PolarHBondContact ND1-OD2 3.46Å; A29-D79 HydrophobicContact CB-CB 3.69Å; L30-D79 HydrophobicContact CD2-CB 4.49Å; F77-D79 WeakPolarHBondContact CB-OD1 3.37Å; F77-D79 PolarHBondContact O-N 3.38Å; F77-D79 VanDerWaalsContact O-N 3.14Å; D79-P83 VanDerWaalsContact O-CD 3.25Å; D79-P83 WeakPolarHBondContact O-CD 3.46Å; D79-P83 VanDerWaalsContact O-CG 3.31Å; D79-P83 WeakPolarHBondContact O-CG 3.38Å |
| 80 | E | 94.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -84.2 | -37.6 | 170.5 | -79 | -176.1 | -135 | 0 | 0 | 112.3 | C76 F77 I84 R131 | C76-E80 PolarHBondContact SG-OE2 3.07Å; C76-E80 VanDerWaalsContact SG-OE2 3.4Å; F77-E80 PolarHBondContact O-N 2.98Å; F77-E80 VanDerWaalsContact O-N 3.09Å; E80-I84 WeakPolarHBondContact O-CD1 3.06Å; E80-R131 IonicContact OE1-CZ 3.46Å; E80-R131 IonicContact OE1-NE 2.71Å; E80-R131 PolarHBondContact OE1-NE 2.86Å; E80-R131 IonicContact OE1-NH2 3.49Å; E80-R131 PolarHBondContact OE1-NH2 2.78Å; E80-R131 IonicContact OE2-CZ 3.6Å; E80-R131 IonicContact OE2-NE 3.32Å; E80-R131 PolarHBondContact OE2-NE 3.38Å; E80-R131 IonicContact OE2-NH2 3.67Å; E80-R131 PolarHBondContact OE2-NH2 2.98Å |
| 81 | L | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -78.5 | -46.2 | -171.6 | -66.9 | 163.6 | 0 | 0 | 0 | 113 | I72 F77 I84 F85 F94 L96 I130 | I72-L81 HydrophobicContact CD1-CD1 4.33Å; I72-L81 HydrophobicContact CG2-CD1 3.99Å; I72-L81 HydrophobicContact CG2-CD2 4.23Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 WeakPolarHBondContact O-CD1 2.94Å; F77-L81 VanDerWaalsContact O-CG 3.27Å; F77-L81 WeakPolarHBondContact O-CG 3.49Å; F77-L81 PolarHBondContact O-N 2.7Å; L81-I84 PolarHBondContact O-N 3.39Å; L81-I84 VanDerWaalsContact O-N 3.07Å; L81-F85 HydrophobicContact CB-CD2 4.5Å; L81-F85 HydrophobicContact CD2-CE2 4.21Å; L81-F85 WeakPolarHBondContact O-CD2 3.36Å; L81-F85 PolarHBondContact O-N 2.93Å; L81-F94 HydrophobicContact CB-CE1 4.4Å; L81-F94 HydrophobicContact CB-CE2 4.42Å; L81-F94 HydrophobicContact CB-CZ 3.87Å; L81-F94 HydrophobicContact CD1-CE1 4.18Å; L81-F94 HydrophobicContact CD1-CZ 3.99Å; L81-F94 HydrophobicContact CG-CZ 4.42Å; L81-L96 HydrophobicContact CD1-CD1 3.99Å; L81-L96 HydrophobicContact CD1-CD2 4.42Å; L81-I130 HydrophobicContact CD2-CD1 3.6Å; L81-I130 HydrophobicContact CG-CD1 4.37Å |
| 82 | I | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | -175.6 | -64.8 | -63.3 | 0 | 0 | 0 | 112.6 | L33 Y50 E78 I84 F85 E86 I91 F94 | L33-I82 HydrophobicContact CD1-CB 4.38Å; L33-I82 HydrophobicContact CD1-CG2 3.96Å; L33-I82 HydrophobicContact CD2-CB 4.13Å; L33-I82 HydrophobicContact CD2-CG1 4.16Å; L33-I82 HydrophobicContact CD2-CG2 4.47Å; Y50-I82 HydrophobicContact CD1-CD1 3.43Å; Y50-I82 VanDerWaalsContact CD1-CD1 3.43Å; Y50-I82 HydrophobicContact CD1-CG1 4.05Å; Y50-I82 HydrophobicContact CD1-CG2 4.49Å; Y50-I82 HydrophobicContact CD2-CG1 4.36Å; Y50-I82 HydrophobicContact CE1-CD1 3.78Å; Y50-I82 HydrophobicContact CE1-CG1 4.22Å; Y50-I82 HydrophobicContact CE1-CG2 3.83Å; Y50-I82 HydrophobicContact CE2-CG2 4.28Å; Y50-I82 HydrophobicContact CG-CD1 3.86Å; Y50-I82 HydrophobicContact CG-CG1 4.11Å; E78-I82 HydrophobicContact CB-CG1 3.82Å; E78-I82 WeakPolarHBondContact O-CB 3.08Å; E78-I82 WeakPolarHBondContact O-CG1 3.28Å; E78-I82 PolarHBondContact O-N 2.9Å; I82-I84 PolarHBondContact O-N 2.81Å; I82-I84 VanDerWaalsContact O-N 3.15Å; I82-F85 PolarHBondContact O-N 3.13Å; I82-E86 HydrophobicContact CG2-CG 4Å; I82-E86 WeakPolarHBondContact CG2-OE1 3.44Å; I82-E86 WeakPolarHBondContact O-CB 3.25Å; I82-E86 WeakPolarHBondContact O-CG 3.34Å; I82-E86 PolarHBondContact O-N 3.23Å; I82-I91 HydrophobicContact CD1-CD1 3.82Å; I82-I91 HydrophobicContact CG2-CD1 4.2Å; I82-F94 HydrophobicContact CD1-CB 3.46Å; I82-F94 VanDerWaalsContact CD1-CB 3.46Å; I82-F94 HydrophobicContact CD1-CD1 4.12Å; I82-F94 HydrophobicContact CD1-CD2 3.76Å; I82-F94 HydrophobicContact CD1-CG 3.53Å |
| 83 | P | 94.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 37 Ų | 37 | 40% | 0.403 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.1 | -26.1 | 176.3 | -26.2 | 36.6 | 0 | 0 | 0 | 114.4 | D79 L87 | D79-P83 VanDerWaalsContact O-CD 3.25Å; D79-P83 WeakPolarHBondContact O-CD 3.46Å; D79-P83 VanDerWaalsContact O-CG 3.31Å; D79-P83 WeakPolarHBondContact O-CG 3.38Å; P83-L87 WeakPolarHBondContact O-CG 3.49Å |
| 84 | I | 96 | Very high | 95 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 9% | 0.087 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -81.4 | -46.7 | 176.7 | -63.2 | 165.3 | 0 | 0 | 0 | 110.3 | E80 L81 I82 E86 L87 L125 Y128 I130 | E80-I84 WeakPolarHBondContact O-CD1 3.06Å; L81-I84 PolarHBondContact O-N 3.39Å; L81-I84 VanDerWaalsContact O-N 3.07Å; I82-I84 PolarHBondContact O-N 2.81Å; I82-I84 VanDerWaalsContact O-N 3.15Å; I84-E86 VanDerWaalsContact C-N 3.31Å; I84-E86 PolarHBondContact O-N 3.1Å; I84-L87 VanDerWaalsContact O-CB 3.28Å; I84-L87 WeakPolarHBondContact O-CB 3.32Å; I84-L87 WeakPolarHBondContact O-CG 2.92Å; I84-L87 PolarHBondContact O-N 2.92Å; I84-L87 VanDerWaalsContact O-N 3.15Å; I84-L125 HydrophobicContact CG2-CD1 4.46Å; I84-L125 HydrophobicContact CG2-CD2 3.94Å; I84-Y128 HydrophobicContact CD1-CD1 4.28Å; I84-Y128 HydrophobicContact CD1-CE1 3.69Å; I84-Y128 HydrophobicContact CG1-CE1 4.02Å; I84-Y128 HydrophobicContact CG2-CD1 4Å; I84-Y128 HydrophobicContact CG2-CE1 3.92Å; I84-Y128 HydrophobicContact CG2-CE2 4.46Å; I84-Y128 HydrophobicContact CG2-CG 4.33Å; I84-I130 HydrophobicContact CD1-CB 4.27Å; I84-I130 HydrophobicContact CD1-CD1 3.52Å; I84-I130 HydrophobicContact CD1-CG1 3.6Å |
| 85 | F | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.6 | -22.3 | -179.2 | -75.7 | -81.6 | 0 | 0 | 0 | 113.4 | V67 I69 L81 I82 L87 I91 F94 C110 Y112 L125 L136 V138 | V67-F85 HydrophobicContact CG2-CE1 4.43Å; I69-F85 HydrophobicContact CB-CZ 4.26Å; I69-F85 HydrophobicContact CD1-CD1 3.99Å; I69-F85 HydrophobicContact CD1-CD2 4.12Å; I69-F85 HydrophobicContact CD1-CE1 3.53Å; I69-F85 HydrophobicContact CD1-CE2 3.68Å; I69-F85 HydrophobicContact CD1-CG 4.29Å; I69-F85 HydrophobicContact CD1-CZ 3.38Å; I69-F85 HydrophobicContact CG1-CE1 3.69Å; I69-F85 HydrophobicContact CG1-CE2 4.29Å; I69-F85 HydrophobicContact CG1-CZ 3.54Å; I69-F85 HydrophobicContact CG2-CE2 4.14Å; I69-F85 HydrophobicContact CG2-CZ 3.67Å; L81-F85 HydrophobicContact CB-CD2 4.5Å; L81-F85 HydrophobicContact CD2-CE2 4.21Å; L81-F85 WeakPolarHBondContact O-CD2 3.36Å; L81-F85 PolarHBondContact O-N 2.93Å; I82-F85 PolarHBondContact O-N 3.13Å; F85-L87 VanDerWaalsContact C-N 3.27Å; F85-L87 PolarHBondContact O-N 2.99Å; F85-I91 HydrophobicContact CB-CD1 3.87Å; F85-F94 HydrophobicContact CB-CE2 4.46Å; F85-F94 AromaticContact CD2-CE2 3.72Å; F85-F94 HydrophobicContact CD2-CE2 3.72Å; F85-F94 HydrophobicContact CD2-CZ 4.45Å; F85-F94 HydrophobicContact CE2-CE2 4.25Å; F85-F94 HydrophobicContact CG-CE2 4.06Å; F85-C110 HydrophobicContact CD1-CB 4.28Å; F85-Y112 WeakPolarHBondContact CD1-OH 3.42Å; F85-Y112 WeakPolarHBondContact O-CE1 3.44Å; F85-Y112 PolarHBondContact O-OH 3.07Å; F85-L125 HydrophobicContact CD1-CD1 3.48Å; F85-L125 VanDerWaalsContact CD1-CD1 3.48Å; F85-L125 HydrophobicContact CE1-CB 4.38Å; F85-L125 HydrophobicContact CE1-CD1 3.67Å; F85-L125 HydrophobicContact CG-CD1 4.1Å; F85-L125 HydrophobicContact CZ-CD1 4.42Å; F85-L136 HydrophobicContact CE2-CD1 4.07Å; F85-L136 HydrophobicContact CZ-CD1 4.14Å; F85-V138 HydrophobicContact CE1-CG1 4.3Å; F85-V138 HydrophobicContact CE1-CG2 4.01Å; F85-V138 HydrophobicContact CZ-CG2 3.93Å |
| 86 | E | 96.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 30.8 Ų | 30.8 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -65.9 | -23.1 | 168.4 | -79.6 | -177.8 | -178.5 | 0 | 0 | 113.5 | R36 Y50 I82 I84 A88 G89 I91 | R36-E86 IonicContact CZ-OE1 3.05Å; R36-E86 IonicContact CZ-OE2 3.64Å; R36-E86 VanDerWaalsContact CZ-OE2 3.27Å; R36-E86 IonicContact NH1-OE1 2.98Å; R36-E86 IonicContact NH1-OE2 2.82Å; R36-E86 PolarHBondContact NH1-OE2 3.03Å; R36-E86 IonicContact NH2-OE1 2.94Å; R36-E86 PolarHBondContact NH2-OE1 2.94Å; R36-E86 IonicContact NH2-OE2 2.66Å; R36-E86 PolarHBondContact NH2-OE2 2.87Å; Y50-E86 PolarHBondContact OH-OE1 3.15Å; I82-E86 HydrophobicContact CG2-CG 4Å; I82-E86 WeakPolarHBondContact CG2-OE1 3.44Å; I82-E86 WeakPolarHBondContact O-CB 3.25Å; I82-E86 WeakPolarHBondContact O-CG 3.34Å; I82-E86 PolarHBondContact O-N 3.23Å; I84-E86 VanDerWaalsContact C-N 3.31Å; I84-E86 PolarHBondContact O-N 3.1Å; E86-A88 VanDerWaalsContact C-N 3.27Å; E86-A88 PolarHBondContact O-N 2.81Å; E86-G89 PolarHBondContact O-N 2.92Å; E86-I91 HydrophobicContact CG-CD1 3.96Å; E86-I91 HydrophobicContact CG-CG1 4.36Å |
| 87 | L | 94.6 | Very high | 95.4 | Very high | 112 Ų | 112 | 31.7 Ų | 31.7 | 59% | 0.586 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | -63.8 | -32.7 | 178.8 | -60.7 | 174.9 | 0 | 0 | 0 | 112.7 | P83 I84 F85 | P83-L87 WeakPolarHBondContact O-CG 3.49Å; I84-L87 VanDerWaalsContact O-CB 3.28Å; I84-L87 WeakPolarHBondContact O-CB 3.32Å; I84-L87 WeakPolarHBondContact O-CG 2.92Å; I84-L87 PolarHBondContact O-N 2.92Å; I84-L87 VanDerWaalsContact O-N 3.15Å; F85-L87 VanDerWaalsContact C-N 3.27Å; F85-L87 PolarHBondContact O-N 2.99Å |
| 88 | A | 95.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -87.2 | -8.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E86 D117 A121 L125 | E86-A88 VanDerWaalsContact C-N 3.27Å; E86-A88 PolarHBondContact O-N 2.81Å; A88-D117 WeakPolarHBondContact O-CA 3.43Å; A88-A121 HydrophobicContact CB-CB 3.72Å; A88-L125 HydrophobicContact CB-CD1 3.91Å; A88-L125 HydrophobicContact CB-CG 4.37Å |
| 89 | G | 94.9 | Very high | 95 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 21% | 0.206 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 146.4 | -172.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E86 I91 D117 | E86-G89 PolarHBondContact O-N 2.92Å; G89-I91 PolarHBondContact O-N 2.93Å; G89-D117 VanDerWaalsContact CA-OD2 3.3Å; G89-D117 WeakPolarHBondContact CA-OD2 3.33Å |
| 90 | K | 94.8 | Very high | 94.4 | Very high | 109 Ų | 109 | 38.8 Ų | 38.8 | 47% | 0.474 | 19% | 0.19 | S | C | . | . | trans | -82.6 | 108.1 | -174.4 | -175.6 | 175 | 178.7 | 177.7 | 0 | 110.6 | Y39 T113 D117 | Y39-K90 WeakPolarHBondContact OH-CE 3.05Å; K90-T113 HydrophobicContact CB-CG2 4.25Å; K90-T113 HydrophobicContact CD-CG2 4.1Å; K90-T113 HydrophobicContact CG-CG2 3.87Å; K90-T113 WeakPolarHBondContact O-CG2 3.49Å; K90-T113 PolarHBondContact O-N 3.43Å; K90-T113 PolarHBondContact O-OG1 3.49Å; K90-D117 PolarHBondContact N-OD2 3.09Å | ||
| 91 | I | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 134.7 | 168.9 | -55.5 | -178.7 | 0 | 0 | 0 | 109.3 | Y39 Y50 I82 F85 E86 G89 F94 Y112 | Y39-I91 PolarHBondContact OH-O 2.97Å; Y50-I91 HydrophobicContact CD1-CG2 4.35Å; Y50-I91 HydrophobicContact CE1-CG2 4.31Å; I82-I91 HydrophobicContact CD1-CD1 3.82Å; I82-I91 HydrophobicContact CG2-CD1 4.2Å; F85-I91 HydrophobicContact CB-CD1 3.87Å; E86-I91 HydrophobicContact CG-CD1 3.96Å; E86-I91 HydrophobicContact CG-CG1 4.36Å; G89-I91 PolarHBondContact O-N 2.93Å; I91-F94 HydrophobicContact CG2-CB 4.31Å; I91-Y112 HydrophobicContact CG1-CE1 4.14Å |
| 92 | Y | 96.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 42.7 Ų | 42.7 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -47.7 | 164.6 | 171.1 | -94.2 | 0 | 0 | 0 | 110 | P52 P53 W56 K60 P61 L111 | P52-Y92 WeakPolarHBondContact CA-O 3.46Å; P52-Y92 HydrophobicContact CB-CE2 4.07Å; P53-Y92 WeakPolarHBondContact CD-O 3.49Å; P53-Y92 HydrophobicContact CG-CD2 4.24Å; W56-Y92 AromaticContact CD1-CE2 3.64Å; W56-Y92 AromaticContact CD2-CD2 3.91Å; W56-Y92 HydrophobicContact CD2-CD2 3.91Å; W56-Y92 AromaticContact CD2-CE2 3.93Å; W56-Y92 HydrophobicContact CD2-CE2 3.93Å; W56-Y92 AromaticContact CE2-CD2 3.95Å; W56-Y92 AromaticContact CE2-CE2 3.83Å; W56-Y92 HydrophobicContact CE3-CD2 4.32Å; W56-Y92 HydrophobicContact CG-CD2 4.19Å; W56-Y92 AromaticContact CG-CE2 3.8Å; W56-Y92 HydrophobicContact CG-CE2 3.8Å; W56-Y92 HydrophobicContact CZ2-CD2 4.37Å; W56-Y92 AromaticContact NE1-CE2 3.62Å; K60-Y92 HydrophobicContact CB-CE1 4.26Å; P61-Y92 HydrophobicContact CG-CD1 3.93Å; P61-Y92 HydrophobicContact CG-CD2 3.88Å; P61-Y92 HydrophobicContact CG-CE1 4.5Å; P61-Y92 HydrophobicContact CG-CE2 4.46Å; P61-Y92 HydrophobicContact CG-CG 3.57Å; Y92-L111 WeakPolarHBondContact CA-O 3.43Å; Y92-L111 WeakPolarHBondContact CB-O 3.36Å; Y92-L111 HydrophobicContact CD1-CD2 3.65Å; Y92-L111 HydrophobicContact CD1-CG 3.94Å; Y92-L111 HydrophobicContact CE1-CD2 4.04Å; Y92-L111 PolarHBondContact N-O 2.99Å |
| 93 | M | 94.8 | Very high | 92.9 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 134.4 | 176.7 | -177 | -178.5 | 61.1 | 0 | 0 | 110.3 | Y50 R95 L111 | Y50-M93 CarbonylContact O-C 3.58Å; Y50-M93 VanDerWaalsContact O-CA 3.31Å; Y50-M93 WeakPolarHBondContact O-CA 3.45Å; M93-R95 HydrophobicContact CE-CG 4.03Å; M93-R95 HydrophobicContact CG-CG 4.09Å; M93-R95 HydrophobicContact SD-CG 4.13Å; M93-L111 HydrophobicContact CB-CB 4.46Å; M93-L111 HydrophobicContact CE-CD2 4.21Å; M93-L111 PolarHBondContact N-O 3.22Å; M93-L111 PolarHBondContact O-N 2.82Å |
| 94 | F | 96.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.1 | 169.7 | -168.6 | -83.5 | 0 | 0 | 0 | 109.1 | C49 Y50 I69 L81 I82 F85 I91 L96 F109 C110 | C49-F94 CarbonylContact C-O 3.56Å; C49-F94 WeakPolarHBondContact CA-O 3.3Å; Y50-F94 HydrophobicContact CD1-CB 4.25Å; Y50-F94 PolarHBondContact N-O 2.86Å; Y50-F94 PolarHBondContact O-N 3.01Å; I69-F94 HydrophobicContact CD1-CD2 4.35Å; I69-F94 HydrophobicContact CD1-CE2 3.42Å; I69-F94 VanDerWaalsContact CD1-CE2 3.42Å; I69-F94 HydrophobicContact CD1-CZ 3.82Å; L81-F94 HydrophobicContact CB-CE1 4.4Å; L81-F94 HydrophobicContact CB-CE2 4.42Å; L81-F94 HydrophobicContact CB-CZ 3.87Å; L81-F94 HydrophobicContact CD1-CE1 4.18Å; L81-F94 HydrophobicContact CD1-CZ 3.99Å; L81-F94 HydrophobicContact CG-CZ 4.42Å; I82-F94 HydrophobicContact CD1-CB 3.46Å; I82-F94 VanDerWaalsContact CD1-CB 3.46Å; I82-F94 HydrophobicContact CD1-CD1 4.12Å; I82-F94 HydrophobicContact CD1-CD2 3.76Å; I82-F94 HydrophobicContact CD1-CG 3.53Å; F85-F94 HydrophobicContact CB-CE2 4.46Å; F85-F94 AromaticContact CD2-CE2 3.72Å; F85-F94 HydrophobicContact CD2-CE2 3.72Å; F85-F94 HydrophobicContact CD2-CZ 4.45Å; F85-F94 HydrophobicContact CE2-CE2 4.25Å; F85-F94 HydrophobicContact CG-CE2 4.06Å; I91-F94 HydrophobicContact CG2-CB 4.31Å; F94-L96 HydrophobicContact CE1-CB 4.14Å; F94-F109 CarbonylContact C-O 3.52Å; F94-F109 WeakPolarHBondContact CA-O 3.17Å; F94-C110 HydrophobicContact CD2-CB 3.67Å; F94-C110 HydrophobicContact CE2-CB 4.03Å |
| 95 | R | 95.2 | Very high | 92.8 | Very high | 59 Ų | 59 | 44 Ų | 44 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 104.3 | -179.5 | -61.4 | -174.9 | -72.5 | 147.3 | -2.8 | 109.7 | R48 E66 M93 M97 G108 F109 | R48-R95 WeakPolarHBondContact O-CA 3.47Å; E66-R95 IonicContact OE1-CZ 2.69Å; E66-R95 IonicContact OE1-NE 2.68Å; E66-R95 IonicContact OE1-NH2 3.18Å; E66-R95 PolarHBondContact OE1-NH2 2.83Å; E66-R95 IonicContact OE2-NH2 3.2Å; M93-R95 HydrophobicContact CE-CG 4.03Å; M93-R95 HydrophobicContact CG-CG 4.09Å; M93-R95 HydrophobicContact SD-CG 4.13Å; R95-M97 HydrophobicContact CB-CE 4.42Å; R95-G108 CarbonylContact O-C 3.43Å; R95-G108 WeakPolarHBondContact O-CA 3.45Å; R95-F109 PolarHBondContact N-O 3.02Å; R95-F109 PolarHBondContact O-N 2.91Å |
| 96 | L | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.1 | 170.4 | -170.9 | 59.6 | 0 | 0 | 0 | 108.4 | Q47 R48 I72 F77 L81 F94 M98 N104 | Q47-L96 CarbonylContact C-O 3.55Å; Q47-L96 WeakPolarHBondContact CA-O 3.04Å; R48-L96 HydrophobicContact CB-CB 4.31Å; R48-L96 PolarHBondContact N-O 3.48Å; R48-L96 PolarHBondContact O-N 2.81Å; I72-L96 HydrophobicContact CD1-CD1 3.83Å; F77-L96 HydrophobicContact CB-CD2 4.45Å; F77-L96 HydrophobicContact CD1-CD2 3.91Å; F77-L96 HydrophobicContact CG-CD2 4.45Å; L81-L96 HydrophobicContact CD1-CD1 3.99Å; L81-L96 HydrophobicContact CD1-CD2 4.42Å; F94-L96 HydrophobicContact CE1-CB 4.14Å; L96-M98 HydrophobicContact CD2-SD 4Å; L96-M98 HydrophobicContact CG-SD 3.95Å; L96-N104 HydrophobicContact CD1-CB 3.8Å; L96-N104 HydrophobicContact CD2-CB 3.94Å; L96-N104 HydrophobicContact CG-CB 3.78Å |
| 97 | M | 94.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.8 | 177.3 | -62 | -70.3 | 162.4 | 0 | 0 | 108.5 | Q47 R95 N104 R105 Y107 F109 | Q47-M97 HydrophobicContact CG-CE 4.22Å; Q47-M97 HydrophobicContact CG-SD 3.64Å; R95-M97 HydrophobicContact CB-CE 4.42Å; M97-N104 CarbonylContact O-C 3.58Å; M97-N104 WeakPolarHBondContact O-CA 3.36Å; M97-N104 WeakPolarHBondContact O-CB 3.29Å; M97-R105 HydrophobicContact CB-CB 4.05Å; M97-R105 PolarHBondContact O-N 2.98Å; M97-Y107 HydrophobicContact CB-CD2 4.4Å; M97-Y107 HydrophobicContact CB-CE2 4.08Å; M97-Y107 HydrophobicContact CG-CD2 3.96Å; M97-Y107 HydrophobicContact CG-CE2 3.56Å; M97-Y107 PolarHBondContact N-O 3.17Å; M97-F109 HydrophobicContact CE-CD2 3.61Å; M97-F109 HydrophobicContact CE-CE2 3.74Å; M97-F109 HydrophobicContact CG-CE2 4.47Å |
| 98 | M | 92.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 144.8 | -176.1 | -59 | -48.9 | -59.8 | 0 | 0 | 110.8 | G46 R48 F77 L96 G102 L103 N104 R105 | G46-M98 WeakPolarHBondContact O-CB 3.44Å; G46-M98 PolarHBondContact O-N 2.87Å; R48-M98 HydrophobicContact CB-CG 4.31Å; R48-M98 HydrophobicContact CB-SD 4.36Å; R48-M98 HydrophobicContact CG-CG 3.91Å; R48-M98 HydrophobicContact CG-SD 4.16Å; F77-M98 HydrophobicContact CD1-CE 4.47Å; F77-M98 HydrophobicContact CE1-CE 3.62Å; F77-M98 HydrophobicContact CE1-SD 4.43Å; F77-M98 HydrophobicContact CZ-CE 4.42Å; L96-M98 HydrophobicContact CD2-SD 4Å; L96-M98 HydrophobicContact CG-SD 3.95Å; M98-G102 WeakPolarHBondContact CE-O 3.45Å; M98-L103 VanDerWaalsContact CE-C 3.4Å; M98-L103 WeakPolarHBondContact CE-O 3.29Å; M98-N104 HydrophobicContact CE-CB 4.31Å; M98-N104 HydrophobicContact SD-CB 4.01Å; M98-R105 WeakPolarHBondContact O-CD 3.5Å; M98-R105 PolarHBondContact O-NE 2.97Å; M98-R105 VanDerWaalsContact O-NE 3.15Å; M98-R105 PolarHBondContact O-NH1 2.9Å |
| 99 | D | 89 | Confident | 92.9 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | trans | -86.9 | 169.1 | 159.4 | -93.4 | -34.1 | 0 | 0 | 0 | 110 | R74 N101 G102 L103 R105 | R74-D99 IonicContact CZ-OD2 3.76Å; R74-D99 IonicContact NH1-OD2 3.79Å; R74-D99 PolarHBondContact NH1-OD2 3.17Å; R74-D99 IonicContact NH2-OD2 2.92Å; R74-D99 PolarHBondContact NH2-OD2 2.91Å; D99-N101 VanDerWaalsContact C-N 3.34Å; D99-N101 WeakPolarHBondContact CB-OD1 3.41Å; D99-G102 PolarHBondContact O-N 2.88Å; D99-L103 PolarHBondContact N-O 2.89Å; D99-R105 HydrophobicContact CB-CG 4.2Å; D99-R105 VanDerWaalsContact CG-CG 3.48Å; D99-R105 WeakPolarHBondContact OD1-CG 3.29Å; D99-R105 IonicContact OD1-CZ 2.61Å; D99-R105 IonicContact OD1-NE 3.41Å; D99-R105 PolarHBondContact OD1-NE 2.9Å; D99-R105 IonicContact OD1-NH2 3.44Å; D99-R105 PolarHBondContact OD1-NH2 2.9Å | ||
| 100 | F | 79.2 | Confident | 93 | Very high | 166 Ų | 166 | 38.3 Ų | 38.3 | 73% | 0.728 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -38.8 | 178.6 | -53.4 | -71.7 | 0 | 0 | 0 | 111.5 | G102 R105 | F100-G102 PolarHBondContact O-N 2.94Å; F100-R105 VanDerWaalsContact CE2-NH2 3.29Å |
| 101 | N | 83.1 | Confident | 93 | Very high | 105 Ų | 105 | 34.1 Ų | 34.1 | 56% | 0.561 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 22 | 173.2 | 62.6 | 33.7 | 0 | 0 | 0 | 116.7 | D99 L103 | D99-N101 VanDerWaalsContact C-N 3.34Å; D99-N101 WeakPolarHBondContact CB-OD1 3.41Å; N101-L103 PolarHBondContact O-N 2.81Å; N101-L103 WeakPolarHBondContact OD1-CB 3.43Å; N101-L103 PolarHBondContact OD1-N 2.89Å |
| 102 | G | 83.1 | Confident | 93 | Very high | 46 Ų | 46 | 34 Ų | 34 | 47% | 0.474 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 69.1 | -11.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | M98 D99 F100 | M98-G102 WeakPolarHBondContact CE-O 3.45Å; D99-G102 PolarHBondContact O-N 2.88Å; F100-G102 PolarHBondContact O-N 2.94Å |
| 103 | L | 90.6 | Very high | 92.9 | Very high | 67 Ų | 67 | 33.6 Ų | 33.6 | 35% | 0.351 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -84.4 | 157.7 | 174.8 | -60.4 | 176.9 | 0 | 0 | 0 | 111.3 | R74 M98 D99 N101 | R74-L103 HydrophobicContact CB-CB 4.32Å; R74-L103 HydrophobicContact CB-CD1 4.3Å; R74-L103 WeakPolarHBondContact O-CB 3.5Å; M98-L103 VanDerWaalsContact CE-C 3.4Å; M98-L103 WeakPolarHBondContact CE-O 3.29Å; D99-L103 PolarHBondContact N-O 2.89Å; N101-L103 PolarHBondContact O-N 2.81Å; N101-L103 WeakPolarHBondContact OD1-CB 3.43Å; N101-L103 PolarHBondContact OD1-N 2.89Å |
| 104 | N | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 152.6 | 176.2 | 74.5 | 64.7 | 0 | 0 | 0 | 112 | P73 R74 C76 L96 M97 M98 G106 | P73-N104 PolarHBondContact O-ND2 2.89Å; P73-N104 PolarHBondContact O-OD1 3.1Å; R74-N104 VanDerWaalsContact C-ND2 3.32Å; R74-N104 VanDerWaalsContact CD-O 3.25Å; R74-N104 WeakPolarHBondContact CD-O 3.25Å; R74-N104 PolarHBondContact NE-O 3.11Å; R74-N104 PolarHBondContact NH1-O 2.82Å; R74-N104 PolarHBondContact O-N 3.11Å; R74-N104 PolarHBondContact O-ND2 2.86Å; R74-N104 VanDerWaalsContact O-ND2 3.11Å; C76-N104 PolarHBondContact O-ND2 2.87Å; L96-N104 HydrophobicContact CD1-CB 3.8Å; L96-N104 HydrophobicContact CD2-CB 3.94Å; L96-N104 HydrophobicContact CG-CB 3.78Å; M97-N104 CarbonylContact O-C 3.58Å; M97-N104 WeakPolarHBondContact O-CA 3.36Å; M97-N104 WeakPolarHBondContact O-CB 3.29Å; M98-N104 HydrophobicContact CE-CB 4.31Å; M98-N104 HydrophobicContact SD-CB 4.01Å; N104-G106 PolarHBondContact O-N 2.92Å; N104-G106 WeakPolarHBondContact OD1-CA 3.21Å; N104-G106 PolarHBondContact OD1-N 2.9Å |
| 105 | R | 94.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 14% | 0.143 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 8.5 | 176.9 | -80 | 173.5 | 166.7 | 141.2 | 2.4 | 114.4 | M97 M98 D99 F100 Y107 | M97-R105 HydrophobicContact CB-CB 4.05Å; M97-R105 PolarHBondContact O-N 2.98Å; M98-R105 WeakPolarHBondContact O-CD 3.5Å; M98-R105 PolarHBondContact O-NE 2.97Å; M98-R105 VanDerWaalsContact O-NE 3.15Å; M98-R105 PolarHBondContact O-NH1 2.9Å; D99-R105 HydrophobicContact CB-CG 4.2Å; D99-R105 VanDerWaalsContact CG-CG 3.48Å; D99-R105 WeakPolarHBondContact OD1-CG 3.29Å; D99-R105 IonicContact OD1-CZ 2.61Å; D99-R105 IonicContact OD1-NE 3.41Å; D99-R105 PolarHBondContact OD1-NE 2.9Å; D99-R105 IonicContact OD1-NH2 3.44Å; D99-R105 PolarHBondContact OD1-NH2 2.9Å; F100-R105 VanDerWaalsContact CE2-NH2 3.29Å; R105-Y107 HydrophobicContact CB-CD1 3.98Å; R105-Y107 HydrophobicContact CB-CE1 3.68Å; R105-Y107 VanDerWaalsContact O-CD1 3.29Å; R105-Y107 WeakPolarHBondContact O-CD1 3.34Å; R105-Y107 PolarHBondContact O-N 3.02Å |
| 106 | G | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.2 | 4.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G70 K71 I72 N104 Y340 | G70-G106 CarbonylContact C-O 3.59Å; K71-G106 PolarHBondContact N-O 3.17Å; K71-G106 VanDerWaalsContact N-O 3.12Å; I72-G106 PolarHBondContact N-O 2.79Å; I72-G106 WeakPolarHBondContact O-CA 3.14Å; N104-G106 PolarHBondContact O-N 2.92Å; N104-G106 WeakPolarHBondContact OD1-CA 3.21Å; N104-G106 PolarHBondContact OD1-N 2.9Å; G106-Y340 WeakPolarHBondContact O-CD1 3.44Å; G106-Y340 WeakPolarHBondContact O-CE1 3.33Å |
| 107 | Y | 96.6 | Very high | 92.4 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 163.1 | 177 | 72.2 | -85.4 | 0 | 0 | 0 | 113 | F68 I69 M97 R105 F109 | F68-Y107 AromaticContact CE2-CD2 3.75Å; F68-Y107 HydrophobicContact CE2-CD2 3.75Å; F68-Y107 HydrophobicContact CE2-CG 4.06Å; F68-Y107 HydrophobicContact CZ-CG 4.41Å; I69-Y107 CarbonylContact O-C 3.47Å; I69-Y107 WeakPolarHBondContact O-CA 3.26Å; I69-Y107 VanDerWaalsContact O-CB 3.23Å; I69-Y107 WeakPolarHBondContact O-CB 3.34Å; M97-Y107 HydrophobicContact CB-CD2 4.4Å; M97-Y107 HydrophobicContact CB-CE2 4.08Å; M97-Y107 HydrophobicContact CG-CD2 3.96Å; M97-Y107 HydrophobicContact CG-CE2 3.56Å; M97-Y107 PolarHBondContact N-O 3.17Å; R105-Y107 HydrophobicContact CB-CD1 3.98Å; R105-Y107 HydrophobicContact CB-CE1 3.68Å; R105-Y107 VanDerWaalsContact O-CD1 3.29Å; R105-Y107 WeakPolarHBondContact O-CD1 3.34Å; R105-Y107 PolarHBondContact O-N 3.02Å; Y107-F109 HydrophobicContact CD2-CE2 4.03Å; Y107-F109 HydrophobicContact CE2-CE2 4.03Å |
| 108 | G | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | -177.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I69 R95 | I69-G108 PolarHBondContact N-O 2.89Å; I69-G108 PolarHBondContact O-N 2.84Å; R95-G108 CarbonylContact O-C 3.43Å; R95-G108 WeakPolarHBondContact O-CA 3.45Å |
| 109 | F | 95.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.5 | -175.7 | -63.1 | -96.8 | 0 | 0 | 0 | 110.9 | E66 V67 F68 F94 R95 M97 Y107 | E66-F109 HydrophobicContact CG-CB 4.12Å; E66-F109 HydrophobicContact CG-CD1 4.33Å; E66-F109 WeakPolarHBondContact OE2-CD1 3.48Å; V67-F109 WeakPolarHBondContact O-CA 3.37Å; F68-F109 HydrophobicContact CB-CD1 4.41Å; F68-F109 HydrophobicContact CB-CE1 4.23Å; F68-F109 AromaticContact CD2-CE1 3.85Å; F68-F109 HydrophobicContact CD2-CE1 3.85Å; F68-F109 HydrophobicContact CD2-CE2 4.48Å; F68-F109 AromaticContact CD2-CZ 3.83Å; F68-F109 HydrophobicContact CD2-CZ 3.83Å; F68-F109 HydrophobicContact CE2-CZ 4.46Å; F94-F109 CarbonylContact C-O 3.52Å; F94-F109 WeakPolarHBondContact CA-O 3.17Å; R95-F109 PolarHBondContact N-O 3.02Å; R95-F109 PolarHBondContact O-N 2.91Å; M97-F109 HydrophobicContact CE-CD2 3.61Å; M97-F109 HydrophobicContact CE-CE2 3.74Å; M97-F109 HydrophobicContact CG-CE2 4.47Å; Y107-F109 HydrophobicContact CD2-CE2 4.03Å; Y107-F109 HydrophobicContact CE2-CE2 4.03Å |
| 110 | C | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 108.2 | 173.7 | -178 | 0 | 0 | 0 | 0 | 110.5 | E66 V67 I69 F85 F94 Y112 | E66-C110 WeakPolarHBondContact CA-O 3.21Å; V67-C110 HydrophobicContact CG2-CB 3.78Å; V67-C110 PolarHBondContact N-O 3.22Å; V67-C110 PolarHBondContact O-N 3.32Å; I69-C110 HydrophobicContact CD1-CB 3.81Å; F85-C110 HydrophobicContact CD1-CB 4.28Å; F94-C110 HydrophobicContact CD2-CB 3.67Å; F94-C110 HydrophobicContact CE2-CB 4.03Å; C110-Y112 HydrophobicContact CB-CE2 4.22Å; C110-Y112 VanDerWaalsContact SG-CE2 3.52Å |
| 111 | L | 95.4 | Very high | 93.5 | Very high | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 112.9 | 173.9 | 176.5 | 56 | 0 | 0 | 0 | 108.9 | P61 C65 E66 Y92 M93 | P61-L111 HydrophobicContact CB-CD1 4.09Å; P61-L111 HydrophobicContact CG-CD1 4.42Å; P61-L111 HydrophobicContact CG-CG 4.36Å; C65-L111 HydrophobicContact CB-CD1 3.77Å; E66-L111 HydrophobicContact CB-CB 4.35Å; E66-L111 HydrophobicContact CB-CD1 4.05Å; E66-L111 HydrophobicContact CG-CB 4.23Å; Y92-L111 WeakPolarHBondContact CA-O 3.43Å; Y92-L111 WeakPolarHBondContact CB-O 3.36Å; Y92-L111 HydrophobicContact CD1-CD2 3.65Å; Y92-L111 HydrophobicContact CD1-CG 3.94Å; Y92-L111 HydrophobicContact CE1-CD2 4.04Å; Y92-L111 PolarHBondContact N-O 2.99Å; M93-L111 HydrophobicContact CB-CB 4.46Å; M93-L111 HydrophobicContact CE-CD2 4.21Å; M93-L111 PolarHBondContact N-O 3.22Å; M93-L111 PolarHBondContact O-N 2.82Å |
| 112 | Y | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 157.7 | 176 | -73.6 | -86.5 | 0 | 0 | 0 | 111.9 | P61 C65 V67 F85 I91 C110 N114 D117 A121 | P61-Y112 VanDerWaalsContact CB-O 3.28Å; P61-Y112 WeakPolarHBondContact CB-O 3.28Å; P61-Y112 WeakPolarHBondContact CG-O 3.35Å; C65-Y112 WeakPolarHBondContact CB-O 3.29Å; C65-Y112 PolarHBondContact O-N 3.37Å; V67-Y112 HydrophobicContact CG2-CE2 4.08Å; F85-Y112 WeakPolarHBondContact CD1-OH 3.42Å; F85-Y112 WeakPolarHBondContact O-CE1 3.44Å; F85-Y112 PolarHBondContact O-OH 3.07Å; I91-Y112 HydrophobicContact CG1-CE1 4.14Å; C110-Y112 HydrophobicContact CB-CE2 4.22Å; C110-Y112 VanDerWaalsContact SG-CE2 3.52Å; Y112-N114 PolarHBondContact O-N 3.18Å; Y112-D117 HydrophobicContact CD1-CB 3.62Å; Y112-D117 HydrophobicContact CE1-CB 4.36Å; Y112-D117 HydrophobicContact CG-CB 3.86Å; Y112-A121 HydrophobicContact CD2-CB 4.49Å; Y112-A121 HydrophobicContact CE2-CB 3.53Å |
| 113 | T | 93.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -64.8 | -22.7 | 176 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | W56 K90 | W56-T113 HydrophobicContact CE3-CG2 4.13Å; W56-T113 HydrophobicContact CH2-CG2 3.84Å; W56-T113 HydrophobicContact CZ3-CG2 3.39Å; K90-T113 HydrophobicContact CB-CG2 4.25Å; K90-T113 HydrophobicContact CD-CG2 4.1Å; K90-T113 HydrophobicContact CG-CG2 3.87Å; K90-T113 WeakPolarHBondContact O-CG2 3.49Å; K90-T113 PolarHBondContact O-N 3.43Å; K90-T113 PolarHBondContact O-OG1 3.49Å |
| 114 | N | 92.9 | Very high | 94.8 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 33% | 0.326 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -150.7 | 161.6 | 176.9 | 80.4 | 81.7 | 0 | 0 | 0 | 112.5 | Y112 N116 D117 T118 | Y112-N114 PolarHBondContact O-N 3.18Å; N114-N116 PolarHBondContact O-N 3.44Å; N114-N116 WeakPolarHBondContact OD1-CA 3.48Å; N114-N116 VanDerWaalsContact OD1-CB 3.28Å; N114-N116 WeakPolarHBondContact OD1-CB 3.47Å; N114-N116 PolarHBondContact OD1-N 3.17Å; N114-D117 PolarHBondContact ND2-OD1 2.94Å; N114-D117 PolarHBondContact ND2-OD2 3.26Å; N114-D117 VanDerWaalsContact ND2-OD2 3.1Å; N114-D117 PolarHBondContact OD1-N 2.91Å; N114-D117 PolarHBondContact OD1-OD1 3.29Å; N114-T118 PolarHBondContact O-N 2.9Å; N114-T118 PolarHBondContact O-OG1 3.39Å; N114-T118 VanDerWaalsContact O-OG1 3.05Å |
| 115 | R | 91 | Very high | 94.9 | Very high | 123 Ų | 123 | 41 Ų | 41 | 46% | 0.464 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.8 | -23.1 | -174 | -175.9 | 178 | -67.6 | 166.6 | -1.5 | 114.6 | K63 C65 T118 K119 | K63-R115 PolarHBondContact O-NH2 2.94Å; C65-R115 PolarHBondContact SG-N 2.92Å; C65-R115 VanDerWaalsContact SG-N 3.42Å; R115-T118 WeakPolarHBondContact O-CB 3.08Å; R115-T118 PolarHBondContact O-N 3.36Å; R115-K119 PolarHBondContact O-N 3.27Å |
| 116 | N | 93.5 | Very high | 95 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.3 | -43.3 | 177.7 | 177 | 87.6 | 0 | 0 | 0 | 110.6 | N114 T118 K119 Q120 | N114-N116 PolarHBondContact O-N 3.44Å; N114-N116 WeakPolarHBondContact OD1-CA 3.48Å; N114-N116 VanDerWaalsContact OD1-CB 3.28Å; N114-N116 WeakPolarHBondContact OD1-CB 3.47Å; N114-N116 PolarHBondContact OD1-N 3.17Å; N116-T118 VanDerWaalsContact C-N 3.31Å; N116-T118 PolarHBondContact O-N 2.69Å; N116-K119 WeakPolarHBondContact O-CB 3.36Å; N116-K119 PolarHBondContact O-N 2.9Å; N116-K119 VanDerWaalsContact O-N 3.14Å; N116-Q120 PolarHBondContact ND2-NE2 2.75Å; N116-Q120 VanDerWaalsContact ND2-NE2 3.19Å; N116-Q120 WeakPolarHBondContact O-CG 3.48Å; N116-Q120 PolarHBondContact O-N 3.12Å |
| 117 | D | 95.7 | Very high | 94.9 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | 173 | -61.3 | 17.4 | 0 | 0 | 0 | 110.6 | A88 G89 K90 Y112 N114 K119 Q120 A121 | A88-D117 WeakPolarHBondContact O-CA 3.43Å; G89-D117 VanDerWaalsContact CA-OD2 3.3Å; G89-D117 WeakPolarHBondContact CA-OD2 3.33Å; K90-D117 PolarHBondContact N-OD2 3.09Å; Y112-D117 HydrophobicContact CD1-CB 3.62Å; Y112-D117 HydrophobicContact CE1-CB 4.36Å; Y112-D117 HydrophobicContact CG-CB 3.86Å; N114-D117 PolarHBondContact ND2-OD1 2.94Å; N114-D117 PolarHBondContact ND2-OD2 3.26Å; N114-D117 VanDerWaalsContact ND2-OD2 3.1Å; N114-D117 PolarHBondContact OD1-N 2.91Å; N114-D117 PolarHBondContact OD1-OD1 3.29Å; D117-K119 VanDerWaalsContact C-N 3.3Å; D117-K119 PolarHBondContact O-N 2.65Å; D117-Q120 CarbonylContact O-C 3.46Å; D117-Q120 PolarHBondContact O-N 3.37Å; D117-Q120 VanDerWaalsContact O-N 3.12Å; D117-A121 PolarHBondContact O-N 3.05Å |
| 118 | T | 94 | Very high | 94.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.1 | -42.8 | 173.7 | -40.2 | 0 | 0 | 0 | 0 | 112.4 | C65 V67 N114 R115 N116 A121 V122 Y140 | C65-T118 VanDerWaalsContact C-CG2 3.44Å; C65-T118 WeakPolarHBondContact CA-OG1 3.32Å; C65-T118 WeakPolarHBondContact O-CG2 3.24Å; C65-T118 PolarHBondContact O-OG1 3.46Å; V67-T118 HydrophobicContact CG1-CG2 3.62Å; N114-T118 PolarHBondContact O-N 2.9Å; N114-T118 PolarHBondContact O-OG1 3.39Å; N114-T118 VanDerWaalsContact O-OG1 3.05Å; R115-T118 WeakPolarHBondContact O-CB 3.08Å; R115-T118 PolarHBondContact O-N 3.36Å; N116-T118 VanDerWaalsContact C-N 3.31Å; N116-T118 PolarHBondContact O-N 2.69Å; T118-A121 PolarHBondContact O-N 3.16Å; T118-V122 PolarHBondContact O-N 2.92Å; T118-Y140 HydrophobicContact CG2-CD1 4.1Å; T118-Y140 HydrophobicContact CG2-CE1 4.31Å |
| 119 | K | 93.1 | Very high | 94.9 | Very high | 99 Ų | 99 | 53.2 Ų | 53.2 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 175.1 | 171.2 | 165.8 | -179.1 | 177 | 0 | 111.3 | R115 N116 D117 A121 V122 D123 Y140 | R115-K119 PolarHBondContact O-N 3.27Å; N116-K119 WeakPolarHBondContact O-CB 3.36Å; N116-K119 PolarHBondContact O-N 2.9Å; N116-K119 VanDerWaalsContact O-N 3.14Å; D117-K119 VanDerWaalsContact C-N 3.3Å; D117-K119 PolarHBondContact O-N 2.65Å; K119-A121 PolarHBondContact O-N 3.17Å; K119-V122 PolarHBondContact O-N 2.9Å; K119-D123 WeakPolarHBondContact CE-OD2 3.22Å; K119-D123 VanDerWaalsContact CG-OD2 3.3Å; K119-D123 WeakPolarHBondContact CG-OD2 3.31Å; K119-D123 WeakPolarHBondContact O-CB 2.97Å; K119-D123 VanDerWaalsContact O-CG 3.32Å; K119-D123 PolarHBondContact O-N 3.27Å; K119-Y140 WeakPolarHBondContact CA-OH 3.43Å; K119-Y140 HydrophobicContact CB-CE1 4.48Å; K119-Y140 WeakPolarHBondContact CB-OH 3.49Å; K119-Y140 WeakPolarHBondContact CG-OH 3.33Å |
| 120 | Q | 95.6 | Very high | 94.9 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 177.1 | -72.1 | -172.1 | 11.5 | 0 | 0 | 112 | N116 D117 D123 Q124 | N116-Q120 PolarHBondContact ND2-NE2 2.75Å; N116-Q120 VanDerWaalsContact ND2-NE2 3.19Å; N116-Q120 WeakPolarHBondContact O-CG 3.48Å; N116-Q120 PolarHBondContact O-N 3.12Å; D117-Q120 CarbonylContact O-C 3.46Å; D117-Q120 PolarHBondContact O-N 3.37Å; D117-Q120 VanDerWaalsContact O-N 3.12Å; Q120-D123 PolarHBondContact O-N 3.38Å; Q120-Q124 WeakPolarHBondContact O-CB 3.43Å; Q120-Q124 VanDerWaalsContact O-CG 3.25Å; Q120-Q124 WeakPolarHBondContact O-CG 3.38Å; Q120-Q124 PolarHBondContact O-N 3.46Å |
| 121 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V67 A88 Y112 D117 T118 K119 L125 | V67-A121 HydrophobicContact CG1-CB 4.09Å; A88-A121 HydrophobicContact CB-CB 3.72Å; Y112-A121 HydrophobicContact CD2-CB 4.49Å; Y112-A121 HydrophobicContact CE2-CB 3.53Å; D117-A121 PolarHBondContact O-N 3.05Å; T118-A121 PolarHBondContact O-N 3.16Å; K119-A121 PolarHBondContact O-N 3.17Å; A121-L125 HydrophobicContact CB-CD1 4.29Å; A121-L125 WeakPolarHBondContact O-CA 3.43Å; A121-L125 VanDerWaalsContact O-CB 3.25Å; A121-L125 WeakPolarHBondContact O-CB 3.28Å; A121-L125 PolarHBondContact O-N 3.35Å |
| 122 | V | 94.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 65 Ų | 65 | 13% | 0.127 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 174.6 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | V67 T118 K119 N126 V138 Y140 | V67-V122 HydrophobicContact CG1-CG2 3.63Å; T118-V122 PolarHBondContact O-N 2.92Å; K119-V122 PolarHBondContact O-N 2.9Å; V122-N126 WeakPolarHBondContact O-CB 3.44Å; V122-V138 HydrophobicContact CG2-CG1 4.45Å; V122-Y140 HydrophobicContact CB-CE2 4.09Å; V122-Y140 HydrophobicContact CG1-CD2 4.3Å; V122-Y140 HydrophobicContact CG1-CE2 3.91Å; V122-Y140 HydrophobicContact CG2-CD1 4.17Å; V122-Y140 HydrophobicContact CG2-CD2 4.01Å; V122-Y140 HydrophobicContact CG2-CE1 4.14Å; V122-Y140 HydrophobicContact CG2-CE2 3.94Å; V122-Y140 HydrophobicContact CG2-CG 4.12Å |
| 123 | D | 93.5 | Very high | 94.4 | Very high | 106 Ų | 106 | 68 Ų | 68 | 57% | 0.567 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -73.2 | -24.8 | -177.3 | -69 | -13.1 | 0 | 0 | 0 | 113 | K119 Q120 | K119-D123 WeakPolarHBondContact CE-OD2 3.22Å; K119-D123 VanDerWaalsContact CG-OD2 3.3Å; K119-D123 WeakPolarHBondContact CG-OD2 3.31Å; K119-D123 WeakPolarHBondContact O-CB 2.97Å; K119-D123 VanDerWaalsContact O-CG 3.32Å; K119-D123 PolarHBondContact O-N 3.27Å; Q120-D123 PolarHBondContact O-N 3.38Å |
| 124 | Q | 95.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 72.3 Ų | 72.3 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -112.4 | -35.3 | -175.4 | -61 | 177.4 | 40.6 | 0 | 0 | 115.2 | Q120 | Q120-Q124 WeakPolarHBondContact O-CB 3.43Å; Q120-Q124 VanDerWaalsContact O-CG 3.25Å; Q120-Q124 WeakPolarHBondContact O-CG 3.38Å; Q120-Q124 PolarHBondContact O-N 3.46Å |
| 125 | L | 96.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -100.4 | -10.2 | -171.1 | -53 | 178.7 | 0 | 0 | 0 | 113.3 | I84 F85 A88 A121 G127 Y128 V138 | I84-L125 HydrophobicContact CG2-CD1 4.46Å; I84-L125 HydrophobicContact CG2-CD2 3.94Å; F85-L125 HydrophobicContact CD1-CD1 3.48Å; F85-L125 VanDerWaalsContact CD1-CD1 3.48Å; F85-L125 HydrophobicContact CE1-CB 4.38Å; F85-L125 HydrophobicContact CE1-CD1 3.67Å; F85-L125 HydrophobicContact CG-CD1 4.1Å; F85-L125 HydrophobicContact CZ-CD1 4.42Å; A88-L125 HydrophobicContact CB-CD1 3.91Å; A88-L125 HydrophobicContact CB-CG 4.37Å; A121-L125 HydrophobicContact CB-CD1 4.29Å; A121-L125 WeakPolarHBondContact O-CA 3.43Å; A121-L125 VanDerWaalsContact O-CB 3.25Å; A121-L125 WeakPolarHBondContact O-CB 3.28Å; A121-L125 PolarHBondContact O-N 3.35Å; L125-G127 PolarHBondContact O-N 3.15Å; L125-Y128 HydrophobicContact CD2-CD2 4.22Å; L125-Y128 WeakPolarHBondContact O-CB 3.44Å; L125-Y128 PolarHBondContact O-N 2.9Å; L125-Y128 VanDerWaalsContact O-N 3.11Å; L125-V138 HydrophobicContact CB-CG2 4.1Å; L125-V138 WeakPolarHBondContact O-CG2 3.44Å |
| 126 | N | 95.3 | Very high | 95 | Very high | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 118.1 | 173.5 | -173.9 | 33 | 0 | 0 | 0 | 110.7 | V122 V138 | V122-N126 WeakPolarHBondContact O-CB 3.44Å; N126-V138 HydrophobicContact CB-CB 4.04Å; N126-V138 WeakPolarHBondContact CB-O 3.27Å; N126-V138 PolarHBondContact OD1-N 2.84Å; N126-V138 PolarHBondContact OD1-O 2.82Å |
| 127 | G | 94.2 | Very high | 95.1 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 9.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L125 E129 L136 | L125-G127 PolarHBondContact O-N 3.15Å; G127-E129 PolarHBondContact O-N 2.85Å; G127-L136 WeakPolarHBondContact CA-O 3.41Å; G127-L136 PolarHBondContact N-O 3.35Å |
| 128 | Y | 96.1 | Very high | 95.1 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | trans | -64.9 | 128.8 | 177.5 | -173.1 | -86 | 0 | 0 | 0 | 111.7 | I84 L125 I130 L135 L136 | I84-Y128 HydrophobicContact CD1-CD1 4.28Å; I84-Y128 HydrophobicContact CD1-CE1 3.69Å; I84-Y128 HydrophobicContact CG1-CE1 4.02Å; I84-Y128 HydrophobicContact CG2-CD1 4Å; I84-Y128 HydrophobicContact CG2-CE1 3.92Å; I84-Y128 HydrophobicContact CG2-CE2 4.46Å; I84-Y128 HydrophobicContact CG2-CG 4.33Å; L125-Y128 HydrophobicContact CD2-CD2 4.22Å; L125-Y128 WeakPolarHBondContact O-CB 3.44Å; L125-Y128 PolarHBondContact O-N 2.9Å; L125-Y128 VanDerWaalsContact O-N 3.11Å; Y128-I130 HydrophobicContact CD1-CB 4.34Å; Y128-I130 PolarHBondContact O-N 3.34Å; Y128-L135 WeakPolarHBondContact O-CA 3.25Å; Y128-L136 HydrophobicContact CD1-CD1 4.49Å; Y128-L136 PolarHBondContact O-N 2.97Å | ||
| 129 | E | 95.9 | Very high | 95.1 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 87.5 | 178.3 | -169.5 | 172.9 | -169.5 | 0 | 0 | 110.7 | G127 R131 K132 G133 K134 L135 | G127-E129 PolarHBondContact O-N 2.85Å; E129-R131 VanDerWaalsContact CG-O 3.3Å; E129-R131 WeakPolarHBondContact CG-O 3.42Å; E129-K132 VanDerWaalsContact OE1-CA 3.31Å; E129-K132 WeakPolarHBondContact OE1-CA 3.49Å; E129-G133 PolarHBondContact OE1-N 2.8Å; E129-K134 WeakPolarHBondContact CA-O 3.48Å; E129-L135 HydrophobicContact CB-CD2 3.65Å; E129-L135 HydrophobicContact CG-CD2 3.94Å |
| 130 | I | 95.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -37.5 | -179.1 | -175.3 | 158.6 | 0 | 0 | 0 | 112.3 | P73 C76 L81 I84 Y128 K134 L136 | P73-I130 HydrophobicContact CG-CG2 4.22Å; C76-I130 WeakPolarHBondContact SG-CD1 3.34Å; L81-I130 HydrophobicContact CD2-CD1 3.6Å; L81-I130 HydrophobicContact CG-CD1 4.37Å; I84-I130 HydrophobicContact CD1-CB 4.27Å; I84-I130 HydrophobicContact CD1-CD1 3.52Å; I84-I130 HydrophobicContact CD1-CG1 3.6Å; Y128-I130 HydrophobicContact CD1-CB 4.34Å; Y128-I130 PolarHBondContact O-N 3.34Å; I130-K134 HydrophobicContact CG2-CB 4.23Å; I130-K134 PolarHBondContact N-O 3.44Å; I130-K134 VanDerWaalsContact N-O 3.15Å; I130-L136 HydrophobicContact CB-CD1 4.28Å; I130-L136 HydrophobicContact CB-CD2 4.48Å; I130-L136 HydrophobicContact CB-CG 4.19Å; I130-L136 HydrophobicContact CD1-CD1 4.28Å; I130-L136 HydrophobicContact CG2-CD2 3.93Å; I130-L136 HydrophobicContact CG2-CG 4.01Å |
| 131 | R | 93.7 | Very high | 94.6 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 25% | 0.253 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.4 | 173.5 | -58.6 | -175.5 | -171.7 | 164 | -6.2 | 108.3 | D75 E80 E129 G133 K134 | D75-R131 PolarHBondContact O-NH2 2.89Å; D75-R131 IonicContact OD1-CZ 2.72Å; D75-R131 IonicContact OD1-NH1 3.27Å; D75-R131 PolarHBondContact OD1-NH1 3.11Å; D75-R131 IonicContact OD2-CZ 3.53Å; D75-R131 IonicContact OD2-NH1 3.44Å; D75-R131 PolarHBondContact OD2-NH1 2.89Å; D75-R131 IonicContact OD2-NH2 2.78Å; E80-R131 IonicContact OE1-CZ 3.46Å; E80-R131 IonicContact OE1-NE 2.71Å; E80-R131 PolarHBondContact OE1-NE 2.86Å; E80-R131 IonicContact OE1-NH2 3.49Å; E80-R131 PolarHBondContact OE1-NH2 2.78Å; E80-R131 IonicContact OE2-CZ 3.6Å; E80-R131 IonicContact OE2-NE 3.32Å; E80-R131 PolarHBondContact OE2-NE 3.38Å; E80-R131 IonicContact OE2-NH2 3.67Å; E80-R131 PolarHBondContact OE2-NH2 2.98Å; E129-R131 VanDerWaalsContact CG-O 3.3Å; E129-R131 WeakPolarHBondContact CG-O 3.42Å; R131-G133 PolarHBondContact O-N 2.88Å; R131-G133 VanDerWaalsContact O-N 3.08Å; R131-K134 HydrophobicContact CB-CB 4.32Å; R131-K134 HydrophobicContact CB-CG 4.37Å; R131-K134 WeakPolarHBondContact O-CA 3.47Å; R131-K134 WeakPolarHBondContact O-CB 3.41Å; R131-K134 PolarHBondContact O-N 3.36Å |
| 132 | K | 91.2 | Very high | 93.7 | Very high | 211 Ų | 211 | 68.9 Ų | 68.9 | 92% | 0.917 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 115.3 | -173.5 | -169.9 | 178.5 | -179 | -178.4 | 0 | 112.3 | E129 | E129-K132 VanDerWaalsContact OE1-CA 3.31Å; E129-K132 WeakPolarHBondContact OE1-CA 3.49Å |
| 133 | G | 93.3 | Very high | 92.8 | Very high | 63 Ų | 63 | 70.4 Ų | 70.4 | 65% | 0.649 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 8 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | E129 R131 | E129-G133 PolarHBondContact OE1-N 2.8Å; R131-G133 PolarHBondContact O-N 2.88Å; R131-G133 VanDerWaalsContact O-N 3.08Å |
| 134 | K | 95.5 | Very high | 92.3 | Very high | 114 Ų | 114 | 66.7 Ų | 66.7 | 50% | 0.496 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 102 | 179 | -61.1 | -67.4 | -172.9 | 171.7 | 0 | 109.7 | P73 E129 I130 R131 | P73-K134 HydrophobicContact CG-CB 4.18Å; P73-K134 HydrophobicContact CG-CG 4.22Å; E129-K134 WeakPolarHBondContact CA-O 3.48Å; I130-K134 HydrophobicContact CG2-CB 4.23Å; I130-K134 PolarHBondContact N-O 3.44Å; I130-K134 VanDerWaalsContact N-O 3.15Å; R131-K134 HydrophobicContact CB-CB 4.32Å; R131-K134 HydrophobicContact CB-CG 4.37Å; R131-K134 WeakPolarHBondContact O-CA 3.47Å; R131-K134 WeakPolarHBondContact O-CB 3.41Å; R131-K134 PolarHBondContact O-N 3.36Å |
| 135 | L | 96.8 | Very high | 92 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.9 | -179.7 | -52 | -178.2 | 0 | 0 | 0 | 110.6 | K71 Y128 E129 | K71-L135 WeakPolarHBondContact CB-O 3.33Å; Y128-L135 WeakPolarHBondContact O-CA 3.25Å; E129-L135 HydrophobicContact CB-CD2 3.65Å; E129-L135 HydrophobicContact CG-CD2 3.94Å |
| 136 | L | 97.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | trans | -66.9 | 139.8 | 172.9 | -62.9 | 179.3 | 0 | 0 | 0 | 110.7 | I72 F85 G127 Y128 I130 V138 | I72-L136 HydrophobicContact CG1-CD2 4.26Å; F85-L136 HydrophobicContact CE2-CD1 4.07Å; F85-L136 HydrophobicContact CZ-CD1 4.14Å; G127-L136 WeakPolarHBondContact CA-O 3.41Å; G127-L136 PolarHBondContact N-O 3.35Å; Y128-L136 HydrophobicContact CD1-CD1 4.49Å; Y128-L136 PolarHBondContact O-N 2.97Å; I130-L136 HydrophobicContact CB-CD1 4.28Å; I130-L136 HydrophobicContact CB-CD2 4.48Å; I130-L136 HydrophobicContact CB-CG 4.19Å; I130-L136 HydrophobicContact CD1-CD1 4.28Å; I130-L136 HydrophobicContact CG2-CD2 3.93Å; I130-L136 HydrophobicContact CG2-CG 4.01Å; L136-V138 HydrophobicContact CB-CG2 4.34Å | ||
| 137 | G | 96 | Very high | 91.8 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 115.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I69 G70 | I69-G137 CarbonylContact C-O 3.6Å; I69-G137 WeakPolarHBondContact CA-O 3.13Å; G70-G137 PolarHBondContact N-O 2.92Å; G70-G137 PolarHBondContact O-N 3Å |
| 138 | V | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.8 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | V67 F68 I69 F85 V122 L125 N126 L136 | V67-V138 HydrophobicContact CB-CG1 3.94Å; V67-V138 HydrophobicContact CG1-CG1 4.22Å; V67-V138 HydrophobicContact CG2-CG1 4.03Å; F68-V138 WeakPolarHBondContact O-CA 3.36Å; I69-V138 HydrophobicContact CG2-CG2 4.45Å; F85-V138 HydrophobicContact CE1-CG1 4.3Å; F85-V138 HydrophobicContact CE1-CG2 4.01Å; F85-V138 HydrophobicContact CZ-CG2 3.93Å; V122-V138 HydrophobicContact CG2-CG1 4.45Å; L125-V138 HydrophobicContact CB-CG2 4.1Å; L125-V138 WeakPolarHBondContact O-CG2 3.44Å; N126-V138 HydrophobicContact CB-CB 4.04Å; N126-V138 WeakPolarHBondContact CB-O 3.27Å; N126-V138 PolarHBondContact OD1-N 2.84Å; N126-V138 PolarHBondContact OD1-O 2.82Å; L136-V138 HydrophobicContact CB-CG2 4.34Å |
| 139 | C | 92.7 | Very high | 91.7 | Very high | 59 Ų | 59 | 56.2 Ų | 56.2 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 165.5 | 175.7 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | V67 F68 S141 | V67-C139 CarbonylContact C-O 3.57Å; V67-C139 VanDerWaalsContact CA-O 3.24Å; V67-C139 WeakPolarHBondContact CA-O 3.38Å; V67-C139 WeakPolarHBondContact CB-O 3.17Å; F68-C139 PolarHBondContact N-O 2.62Å; F68-C139 PolarHBondContact O-N 3.07Å; C139-S141 PolarHBondContact O-N 3.27Å |
| 140 | Y | 90.5 | Very high | 91.6 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 134.5 | 173.4 | -61.2 | -82.8 | 0 | 0 | 0 | 110.9 | T118 K119 V122 | T118-Y140 HydrophobicContact CG2-CD1 4.1Å; T118-Y140 HydrophobicContact CG2-CE1 4.31Å; K119-Y140 WeakPolarHBondContact CA-OH 3.43Å; K119-Y140 HydrophobicContact CB-CE1 4.48Å; K119-Y140 WeakPolarHBondContact CB-OH 3.49Å; K119-Y140 WeakPolarHBondContact CG-OH 3.33Å; V122-Y140 HydrophobicContact CB-CE2 4.09Å; V122-Y140 HydrophobicContact CG1-CD2 4.3Å; V122-Y140 HydrophobicContact CG1-CE2 3.91Å; V122-Y140 HydrophobicContact CG2-CD1 4.17Å; V122-Y140 HydrophobicContact CG2-CD2 4.01Å; V122-Y140 HydrophobicContact CG2-CE1 4.14Å; V122-Y140 HydrophobicContact CG2-CE2 3.94Å; V122-Y140 HydrophobicContact CG2-CG 4.12Å |
| 141 | S | 88.2 | Confident | 91.4 | Very high | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | trans | -67.9 | 147.3 | 173.4 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | E66 C139 | E66-S141 VanDerWaalsContact O-CB 3.31Å; E66-S141 WeakPolarHBondContact O-CB 3.25Å; E66-S141 PolarHBondContact O-N 3.18Å; E66-S141 VanDerWaalsContact OE2-CB 3.26Å; E66-S141 WeakPolarHBondContact OE2-CB 3.49Å; E66-S141 PolarHBondContact OE2-OG 3.35Å; C139-S141 PolarHBondContact O-N 3.27Å | ||
| 142 | I | 78.4 | Confident | 91.4 | Very high | 111 Ų | 111 | 49 Ų | 49 | 57% | 0.569 | 27% | 0.267 | S | S | * | . | trans | -103.2 | 94.1 | 178.7 | -57.1 | -179.4 | 0 | 0 | 0 | 107.8 | N144 P227 | I142-N144 HydrophobicContact CG2-CB 4.3Å; I142-N144 PolarHBondContact O-N 3.09Å; I142-P227 HydrophobicContact CG2-CB 3.87Å; I142-P227 HydrophobicContact CG2-CG 3.98Å | ||
| 143 | D | 75.3 | Confident | 91.5 | Very high | 53 Ų | 53 | 40 Ų | 40 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | trans | -62.2 | 67.4 | 172 | -83.1 | -51.2 | 0 | 0 | 0 | 111.1 | K63 G64 C145 | K63-D143 WeakPolarHBondContact CA-OD2 3.24Å; K63-D143 WeakPolarHBondContact CB-OD2 3.28Å; K63-D143 HydrophobicContact CD-CB 4.34Å; G64-D143 PolarHBondContact N-OD2 3.49Å; D143-C145 VanDerWaalsContact C-N 3.28Å; D143-C145 PolarHBondContact O-N 3.28Å; D143-C145 PolarHBondContact O-SG 3.32Å; D143-C145 VanDerWaalsContact O-SG 3.35Å | ||
| 144 | N | 83.1 | Confident | 91.5 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | trans | -76.5 | 83.5 | -175.3 | -135.5 | 20.5 | 0 | 0 | 0 | 109.3 | I142 H198 W224 A225 P227 | I142-N144 HydrophobicContact CG2-CB 4.3Å; I142-N144 PolarHBondContact O-N 3.09Å; N144-H198 PolarHBondContact O-ND1 3.09Å; N144-W224 HydrophobicContact CB-CE3 4.29Å; N144-W224 HydrophobicContact CB-CZ3 4.46Å; N144-W224 WeakPolarHBondContact O-CZ3 3.35Å; N144-A225 PolarHBondContact ND2-O 3.25Å; N144-P227 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 145 | C | 89.8 | Confident | 91.4 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | trans | -100.2 | 9.9 | -174.5 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | K63 D143 Y195 H198 | K63-C145 PolarHBondContact NZ-SG 2.94Å; D143-C145 VanDerWaalsContact C-N 3.28Å; D143-C145 PolarHBondContact O-N 3.28Å; D143-C145 PolarHBondContact O-SG 3.32Å; D143-C145 VanDerWaalsContact O-SG 3.35Å; C145-Y195 WeakPolarHBondContact CB-O 3.23Å; C145-Y195 PolarHBondContact O-N 3.32Å; C145-H198 PolarHBondContact SG-N 3.47Å | ||
| 146 | R | 93.2 | Very high | 91.3 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.5 | -172.8 | -170.5 | -176.7 | -71.5 | 172.9 | 1.2 | 110.4 | F192 V193 E194 A225 E228 | R146-F192 HydrophobicContact CG-CB 4.03Å; R146-F192 HydrophobicContact CG-CD1 4.5Å; R146-V193 CarbonylContact C-O 3.49Å; R146-V193 VanDerWaalsContact CA-O 3.3Å; R146-V193 WeakPolarHBondContact CA-O 3.36Å; R146-E194 HydrophobicContact CG-CB 4.49Å; R146-E194 IonicContact CZ-OE2 2.82Å; R146-E194 IonicContact NE-OE2 3.62Å; R146-E194 PolarHBondContact NE-OE2 3.42Å; R146-E194 IonicContact NH2-OE2 2.65Å; R146-E194 PolarHBondContact NH2-OE2 2.83Å; R146-A225 HydrophobicContact CB-CB 3.87Å; R146-A225 HydrophobicContact CG-CB 3.71Å; R146-A225 VanDerWaalsContact O-CB 3.23Å; R146-A225 WeakPolarHBondContact O-CB 3.19Å; R146-A225 PolarHBondContact O-N 3.19Å; R146-E228 IonicContact CZ-OE1 2.66Å; R146-E228 IonicContact NH1-OE1 3.13Å; R146-E228 PolarHBondContact NH1-OE1 2.68Å; R146-E228 IonicContact NH2-OE1 3.82Å; R146-E228 PolarHBondContact NH2-OE1 2.95Å |
| 147 | L | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.8 | 174 | -58.1 | -176.6 | 0 | 0 | 0 | 110.3 | I149 F192 V193 Y195 A204 R205 V222 D223 W224 | L147-I149 HydrophobicContact CB-CD1 4.03Å; L147-F192 CarbonylContact O-C 3.6Å; L147-F192 VanDerWaalsContact O-CA 3.25Å; L147-F192 WeakPolarHBondContact O-CA 3.48Å; L147-V193 PolarHBondContact N-O 3.41Å; L147-V193 PolarHBondContact O-N 3.17Å; L147-Y195 HydrophobicContact CB-CE2 4.41Å; L147-Y195 HydrophobicContact CD1-CE2 3.72Å; L147-Y195 HydrophobicContact CG-CD2 4.34Å; L147-Y195 HydrophobicContact CG-CE2 3.89Å; L147-A204 HydrophobicContact CD1-CB 4.01Å; L147-R205 HydrophobicContact CD1-CB 4.02Å; L147-R205 HydrophobicContact CD2-CB 3.93Å; L147-R205 HydrophobicContact CD2-CG 4.35Å; L147-V222 HydrophobicContact CD1-CG1 4.02Å; L147-D223 CarbonylContact C-O 3.48Å; L147-D223 WeakPolarHBondContact CA-O 3.41Å; L147-W224 HydrophobicContact CD2-CD2 4.15Å; L147-W224 HydrophobicContact CD2-CE3 3.48Å; L147-W224 VanDerWaalsContact CD2-CE3 3.48Å; L147-W224 HydrophobicContact CD2-CH2 4.39Å; L147-W224 HydrophobicContact CD2-CZ3 3.61Å |
| 148 | F | 95.1 | Very high | 91 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 28% | 0.281 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129 | 161.2 | 169.7 | -91.9 | 0 | 0 | 0 | 108.5 | F190 F192 V222 D223 | F148-F190 HydrophobicContact CD2-CD2 4.23Å; F148-F190 HydrophobicContact CE2-CB 3.6Å; F148-F190 HydrophobicContact CE2-CD1 4.4Å; F148-F190 AromaticContact CE2-CD2 3.62Å; F148-F190 HydrophobicContact CE2-CD2 3.62Å; F148-F190 HydrophobicContact CE2-CE2 4.38Å; F148-F190 AromaticContact CE2-CG 3.64Å; F148-F190 HydrophobicContact CE2-CG 3.64Å; F148-F190 HydrophobicContact CZ-CB 3.74Å; F148-F190 HydrophobicContact CZ-CG 4.15Å; F148-F192 HydrophobicContact CB-CD1 4.1Å; F148-F192 HydrophobicContact CB-CE1 3.94Å; F148-F192 HydrophobicContact CD2-CD1 4.36Å; F148-F192 AromaticContact CD2-CE1 3.82Å; F148-F192 HydrophobicContact CD2-CE1 3.82Å; F148-F192 AromaticContact CD2-CZ 3.99Å; F148-F192 HydrophobicContact CD2-CZ 3.99Å; F148-F192 HydrophobicContact CG-CE1 4.38Å; F148-V222 WeakPolarHBondContact O-CA 3.48Å; F148-D223 PolarHBondContact N-O 3.32Å; F148-D223 PolarHBondContact O-N 2.92Å; F148-D223 VanDerWaalsContact O-N 3.1Å |
| 149 | I | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 105.5 | 175.9 | -47.7 | -63.4 | 0 | 0 | 0 | 108.4 | L147 I152 M165 F190 A191 V193 L208 I220 V222 | L147-I149 HydrophobicContact CB-CD1 4.03Å; I149-I152 HydrophobicContact CB-CD1 4.15Å; I149-I152 HydrophobicContact CG2-CD1 3.93Å; I149-I152 HydrophobicContact CG2-CG1 4.08Å; I149-M165 HydrophobicContact CD1-CE 4Å; I149-M165 HydrophobicContact CG1-CE 4.13Å; I149-M165 HydrophobicContact CG1-SD 4.33Å; I149-M165 HydrophobicContact CG2-SD 4.47Å; I149-F190 CarbonylContact O-C 3.58Å; I149-F190 WeakPolarHBondContact O-CA 3.18Å; I149-F190 WeakPolarHBondContact O-CB 3.14Å; I149-A191 PolarHBondContact N-O 3.44Å; I149-A191 PolarHBondContact O-N 3.24Å; I149-V193 HydrophobicContact CG1-CB 4.37Å; I149-V193 HydrophobicContact CG1-CG2 3.63Å; I149-L208 HydrophobicContact CD1-CD1 4.25Å; I149-I220 HydrophobicContact CG2-CB 4.4Å; I149-I220 HydrophobicContact CG2-CG2 4.4Å; I149-V222 HydrophobicContact CD1-CB 4.2Å; I149-V222 HydrophobicContact CD1-CG1 3.78Å; I149-V222 HydrophobicContact CD1-CG2 3.56Å; I149-V222 HydrophobicContact CG2-CG2 4.49Å |
| 150 | G | 93.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 165.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I220 A221 | G150-I220 WeakPolarHBondContact O-CA 3.12Å; G150-A221 PolarHBondContact N-O 3.07Å; G150-A221 PolarHBondContact O-N 2.77Å |
| 151 | G | 90.5 | Very high | 91.3 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | trans | 89 | 3.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G189 | G151-G189 PolarHBondContact N-O 3.3Å; G151-G189 VanDerWaalsContact N-O 3.07Å | ||
| 152 | I | 93.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -67.9 | 136.7 | -178.1 | -60.5 | -176.9 | 0 | 0 | 0 | 110.6 | I149 K154 K156 I161 G189 A191 W216 | I149-I152 HydrophobicContact CB-CD1 4.15Å; I149-I152 HydrophobicContact CG2-CD1 3.93Å; I149-I152 HydrophobicContact CG2-CG1 4.08Å; I152-K154 PolarHBondContact O-N 3.32Å; I152-K156 HydrophobicContact CG2-CB 4.37Å; I152-I161 HydrophobicContact CD1-CD1 4.24Å; I152-I161 HydrophobicContact CD1-CG1 4.45Å; I152-I161 HydrophobicContact CD1-CG2 4.03Å; I152-I161 HydrophobicContact CG2-CD1 3.76Å; I152-I161 HydrophobicContact CG2-CG1 3.97Å; I152-G189 PolarHBondContact N-O 3.44Å; I152-G189 WeakPolarHBondContact O-CA 3.28Å; I152-A191 HydrophobicContact CD1-CB 3.61Å; I152-W216 HydrophobicContact CB-CZ3 4.45Å; I152-W216 HydrophobicContact CG1-CZ3 4.32Å; I152-W216 HydrophobicContact CG2-CH2 4.27Å; I152-W216 HydrophobicContact CG2-CZ3 3.88Å | ||
| 153 | P | 93.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | trans | -60.5 | 130.9 | 174.7 | -22.1 | 32.7 | 0 | 0 | 0 | 112.1 | S155 K156 N187 W216 | P153-S155 PolarHBondContact O-N 3.21Å; P153-K156 HydrophobicContact CB-CG 4.23Å; P153-K156 PolarHBondContact O-N 3.19Å; P153-N187 PolarHBondContact O-ND2 3.33Å; P153-W216 HydrophobicContact CG-CB 4.24Å; P153-W216 HydrophobicContact CG-CD2 4.42Å; P153-W216 HydrophobicContact CG-CE3 3.96Å | ||
| 154 | K | 94.3 | Very high | 93.4 | Very high | 123 Ų | 123 | 47.7 Ų | 47.7 | 54% | 0.535 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.3 | -171.3 | -67.2 | -175.5 | -179.9 | 176.1 | 0 | 115.5 | I152 K186 N187 | I152-K154 PolarHBondContact O-N 3.32Å; K154-K186 HydrophobicContact CB-CB 4.42Å; K154-K186 CarbonylContact O-C 3.59Å; K154-K186 VanDerWaalsContact O-CA 3.26Å; K154-K186 WeakPolarHBondContact O-CA 3.43Å; K154-K186 VanDerWaalsContact O-CB 3.28Å; K154-K186 WeakPolarHBondContact O-CB 3.42Å; K154-N187 WeakPolarHBondContact CA-OD1 3.07Å; K154-N187 PolarHBondContact O-N 3.37Å; K154-N187 PolarHBondContact O-ND2 3.21Å |
| 155 | S | 93.1 | Very high | 93.9 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.3 | 176 | 45.8 | 0 | 0 | 0 | 0 | 114.2 | P153 | P153-S155 PolarHBondContact O-N 3.21Š|
| 156 | K | 93.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 49 Ų | 49 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | trans | -76.2 | 137 | -173.3 | -68.3 | -58.2 | -167.2 | -174.5 | 0 | 113.4 | I152 P153 E160 I161 N187 W216 | I152-K156 HydrophobicContact CG2-CB 4.37Å; P153-K156 HydrophobicContact CB-CG 4.23Å; P153-K156 PolarHBondContact O-N 3.19Å; K156-E160 WeakPolarHBondContact CA-OE2 3.44Å; K156-E160 HydrophobicContact CD-CB 4.1Å; K156-E160 VanDerWaalsContact CD-CD 3.42Å; K156-E160 HydrophobicContact CD-CG 4.42Å; K156-E160 VanDerWaalsContact CD-OE1 3.3Å; K156-E160 WeakPolarHBondContact CD-OE1 3.37Å; K156-E160 WeakPolarHBondContact CD-OE2 3.48Å; K156-E160 IonicContact NZ-OE1 3.52Å; K156-E160 PolarHBondContact NZ-OE1 3.35Å; K156-I161 HydrophobicContact CB-CD1 4.2Å; K156-I161 HydrophobicContact CB-CG1 3.95Å; K156-N187 PolarHBondContact N-ND2 2.98Å; K156-N187 PolarHBondContact O-ND2 3.38Å; K156-W216 HydrophobicContact CG-CD2 4.37Å; K156-W216 HydrophobicContact CG-CZ2 4.36Å | ||
| 157 | T | 93.7 | Very high | 94.1 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | trans | -80.8 | 169.5 | 175.6 | 76 | 0 | 0 | 0 | 0 | 111.9 | D159 E160 I161 | T157-D159 VanDerWaalsContact C-N 3.28Å; T157-D159 PolarHBondContact O-N 3Å; T157-D159 PolarHBondContact OG1-N 3.04Å; T157-E160 PolarHBondContact N-OE2 3.12Å; T157-E160 PolarHBondContact OG1-N 3.32Å; T157-I161 VanDerWaalsContact O-CD1 3.29Å; T157-I161 WeakPolarHBondContact O-CD1 3.39Å; T157-I161 WeakPolarHBondContact O-CG1 3.46Å; T157-I161 PolarHBondContact O-N 2.82Å; T157-I161 VanDerWaalsContact O-N 3.12Å | ||
| 158 | K | 94.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -52.1 | -48.1 | 170.6 | 169.6 | 175.5 | 170.1 | 141.4 | 0 | 111.6 | I161 M162 D174 V175 V177 | K158-I161 PolarHBondContact O-N 3.29Å; K158-M162 WeakPolarHBondContact O-CB 3.41Å; K158-M162 PolarHBondContact O-N 3.1Å; K158-D174 WeakPolarHBondContact CE-OD1 3.37Å; K158-D174 IonicContact NZ-OD1 3.62Å; K158-D174 PolarHBondContact NZ-OD1 3.16Å; K158-D174 IonicContact NZ-OD2 3.74Å; K158-V175 VanDerWaalsContact CD-O 3.27Å; K158-V175 WeakPolarHBondContact CD-O 3.19Å; K158-V175 WeakPolarHBondContact CE-O 3.33Å; K158-V175 HydrophobicContact CG-CB 4.32Å; K158-V175 PolarHBondContact NZ-O 3.21Å; K158-V177 HydrophobicContact CB-CG2 4.02Å |
| 159 | D | 95.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -75.1 | -33.8 | -169.3 | -42.5 | -59.9 | 0 | 0 | 0 | 111.3 | T157 M162 L163 | T157-D159 VanDerWaalsContact C-N 3.28Å; T157-D159 PolarHBondContact O-N 3Å; T157-D159 PolarHBondContact OG1-N 3.04Å; D159-M162 PolarHBondContact O-N 3.44Å; D159-L163 VanDerWaalsContact O-CB 3.26Å; D159-L163 WeakPolarHBondContact O-CB 3.23Å; D159-L163 PolarHBondContact O-N 3.01Å |
| 160 | E | 95.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 169.7 | -69.4 | -176.8 | 101.9 | 0 | 0 | 112.4 | K156 T157 E164 | K156-E160 WeakPolarHBondContact CA-OE2 3.44Å; K156-E160 HydrophobicContact CD-CB 4.1Å; K156-E160 VanDerWaalsContact CD-CD 3.42Å; K156-E160 HydrophobicContact CD-CG 4.42Å; K156-E160 VanDerWaalsContact CD-OE1 3.3Å; K156-E160 WeakPolarHBondContact CD-OE1 3.37Å; K156-E160 WeakPolarHBondContact CD-OE2 3.48Å; K156-E160 IonicContact NZ-OE1 3.52Å; K156-E160 PolarHBondContact NZ-OE1 3.35Å; T157-E160 PolarHBondContact N-OE2 3.12Å; T157-E160 PolarHBondContact OG1-N 3.32Å; E160-E164 PolarHBondContact O-N 3.14Å |
| 161 | I | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 177.3 | -64.6 | 160.2 | 0 | 0 | 0 | 109.7 | I152 K156 T157 K158 E164 M165 V175 V177 A191 W216 | I152-I161 HydrophobicContact CD1-CD1 4.24Å; I152-I161 HydrophobicContact CD1-CG1 4.45Å; I152-I161 HydrophobicContact CD1-CG2 4.03Å; I152-I161 HydrophobicContact CG2-CD1 3.76Å; I152-I161 HydrophobicContact CG2-CG1 3.97Å; K156-I161 HydrophobicContact CB-CD1 4.2Å; K156-I161 HydrophobicContact CB-CG1 3.95Å; T157-I161 VanDerWaalsContact O-CD1 3.29Å; T157-I161 WeakPolarHBondContact O-CD1 3.39Å; T157-I161 WeakPolarHBondContact O-CG1 3.46Å; T157-I161 PolarHBondContact O-N 2.82Å; T157-I161 VanDerWaalsContact O-N 3.12Å; K158-I161 PolarHBondContact O-N 3.29Å; I161-E164 PolarHBondContact O-N 2.91Å; I161-M165 HydrophobicContact CG2-CG 4.15Å; I161-M165 WeakPolarHBondContact O-CB 2.93Å; I161-M165 WeakPolarHBondContact O-CG 3.41Å; I161-M165 PolarHBondContact O-N 2.89Å; I161-V175 HydrophobicContact CB-CG1 4.27Å; I161-V175 HydrophobicContact CG2-CG1 3.78Å; I161-V177 HydrophobicContact CD1-CG1 4.42Å; I161-V177 HydrophobicContact CD1-CG2 3.83Å; I161-A191 HydrophobicContact CD1-CB 4.43Å; I161-A191 HydrophobicContact CG2-CB 4.25Å; I161-W216 HydrophobicContact CB-CH2 4.29Å; I161-W216 HydrophobicContact CG1-CH2 3.83Å; I161-W216 HydrophobicContact CG1-CZ2 4.3Å; I161-W216 HydrophobicContact CG2-CH2 4.39Å |
| 162 | M | 95.9 | Very high | 94.1 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.5 | -171.4 | 168.5 | -179.6 | 0 | 0 | 111.6 | K158 D159 E164 M165 S166 V172 V175 | K158-M162 WeakPolarHBondContact O-CB 3.41Å; K158-M162 PolarHBondContact O-N 3.1Å; D159-M162 PolarHBondContact O-N 3.44Å; M162-E164 VanDerWaalsContact C-N 3.35Å; M162-E164 PolarHBondContact O-N 2.95Å; M162-M165 PolarHBondContact O-N 2.97Å; M162-S166 WeakPolarHBondContact O-CB 3.08Å; M162-S166 PolarHBondContact O-N 3.32Å; M162-S166 PolarHBondContact O-OG 3.4Å; M162-V172 HydrophobicContact CG-CG1 4.26Å; M162-V175 HydrophobicContact CB-CB 4.28Å; M162-V175 HydrophobicContact CB-CG2 3.65Å; M162-V175 HydrophobicContact CG-CG2 3.95Å |
| 163 | L | 95 | Very high | 94.1 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 56% | 0.56 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.3 | -41.1 | 177.5 | 179.6 | 61.6 | 0 | 0 | 0 | 112.4 | D159 K167 | D159-L163 VanDerWaalsContact O-CB 3.26Å; D159-L163 WeakPolarHBondContact O-CB 3.23Å; D159-L163 PolarHBondContact O-N 3.01Å; L163-K167 WeakPolarHBondContact O-CG 3.13Å; L163-K167 PolarHBondContact O-N 3.43Å |
| 164 | E | 93.7 | Very high | 94.2 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.7 | -42 | 179.7 | -153.9 | 76.3 | 167.3 | 0 | 0 | 112.1 | E160 I161 M162 S166 K167 V168 L215 W216 | E160-E164 PolarHBondContact O-N 3.14Å; I161-E164 PolarHBondContact O-N 2.91Å; M162-E164 VanDerWaalsContact C-N 3.35Å; M162-E164 PolarHBondContact O-N 2.95Å; E164-S166 VanDerWaalsContact C-N 3.31Å; E164-S166 PolarHBondContact O-N 3.13Å; E164-K167 PolarHBondContact O-N 3.46Å; E164-K167 IonicContact OE2-NZ 2.77Å; E164-K167 PolarHBondContact OE2-NZ 2.74Å; E164-V168 PolarHBondContact O-N 3.22Å; E164-L215 HydrophobicContact CG-CD2 4.3Å; E164-W216 HydrophobicContact CB-CH2 4.19Å; E164-W216 HydrophobicContact CB-CZ2 3.43Å; E164-W216 VanDerWaalsContact CB-CZ2 3.43Å; E164-W216 HydrophobicContact CG-CZ2 3.8Å |
| 165 | M | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.5 | -68.5 | -66.7 | -52.1 | 0 | 0 | 111.9 | I149 I161 M162 K167 V168 T169 V172 V193 Y195 L208 L215 | I149-M165 HydrophobicContact CD1-CE 4Å; I149-M165 HydrophobicContact CG1-CE 4.13Å; I149-M165 HydrophobicContact CG1-SD 4.33Å; I149-M165 HydrophobicContact CG2-SD 4.47Å; I161-M165 HydrophobicContact CG2-CG 4.15Å; I161-M165 WeakPolarHBondContact O-CB 2.93Å; I161-M165 WeakPolarHBondContact O-CG 3.41Å; I161-M165 PolarHBondContact O-N 2.89Å; M162-M165 PolarHBondContact O-N 2.97Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.18Å; M165-V168 PolarHBondContact O-N 2.98Å; M165-T169 PolarHBondContact O-N 2.85Å; M165-T169 PolarHBondContact O-OG1 2.79Å; M165-V172 HydrophobicContact CB-CG2 4.21Å; M165-V193 HydrophobicContact CE-CB 4.41Å; M165-V193 HydrophobicContact CE-CG1 4.27Å; M165-V193 HydrophobicContact CE-CG2 3.99Å; M165-V193 HydrophobicContact CG-CG2 4.03Å; M165-V193 HydrophobicContact SD-CG2 4.34Å; M165-Y195 WeakPolarHBondContact CE-OH 3.17Å; M165-L208 HydrophobicContact CE-CD1 3.45Å; M165-L208 VanDerWaalsContact CE-CD1 3.45Å; M165-L215 HydrophobicContact SD-CD1 3.73Å |
| 166 | S | 94.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.9 | -15.9 | 177.6 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | M162 E164 V172 | M162-S166 WeakPolarHBondContact O-CB 3.08Å; M162-S166 PolarHBondContact O-N 3.32Å; M162-S166 PolarHBondContact O-OG 3.4Å; E164-S166 VanDerWaalsContact C-N 3.31Å; E164-S166 PolarHBondContact O-N 3.13Å; S166-V172 WeakPolarHBondContact OG-CB 3.32Å |
| 167 | K | 92.6 | Very high | 94.2 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -76.8 | -30.4 | 169.1 | -68.2 | 166.6 | -169.2 | 169.8 | 0 | 112.2 | L163 E164 M165 | L163-K167 WeakPolarHBondContact O-CG 3.13Å; L163-K167 PolarHBondContact O-N 3.43Å; E164-K167 PolarHBondContact O-N 3.46Å; E164-K167 IonicContact OE2-NZ 2.77Å; E164-K167 PolarHBondContact OE2-NZ 2.74Å; M165-K167 VanDerWaalsContact C-N 3.32Å; M165-K167 PolarHBondContact O-N 3.18Å |
| 168 | V | 90.4 | Very high | 94 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -100.1 | -32.3 | -171.4 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | E164 M165 K207 L208 I213 L215 | E164-V168 PolarHBondContact O-N 3.22Å; M165-V168 PolarHBondContact O-N 2.98Å; V168-K207 VanDerWaalsContact O-CD 3.3Å; V168-K207 WeakPolarHBondContact O-CD 3.4Å; V168-K207 WeakPolarHBondContact O-CE 3.4Å; V168-K207 PolarHBondContact O-NZ 3.19Å; V168-L208 HydrophobicContact CB-CD2 4.47Å; V168-L208 HydrophobicContact CG1-CD2 3.64Å; V168-I213 HydrophobicContact CG1-CD1 3.54Å; V168-I213 HydrophobicContact CG1-CG2 4.28Å; V168-L215 HydrophobicContact CG2-CD2 3.95Å |
| 169 | T | 93.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -136.1 | 139 | -174.7 | 58.6 | 0 | 0 | 0 | 0 | 113 | M165 V172 Y195 A204 K207 L208 | M165-T169 PolarHBondContact O-N 2.85Å; M165-T169 PolarHBondContact O-OG1 2.79Å; T169-V172 WeakPolarHBondContact O-CG2 3.14Å; T169-Y195 PolarHBondContact OG1-OH 2.93Å; T169-A204 HydrophobicContact CG2-CB 3.74Å; T169-K207 HydrophobicContact CG2-CD 4.5Å; T169-L208 HydrophobicContact CG2-CD1 3.67Å; T169-L208 HydrophobicContact CG2-CD2 4.02Å; T169-L208 HydrophobicContact CG2-CG 3.7Å |
| 170 | D | 92.6 | Very high | 93.3 | Very high | 118 Ų | 118 | 48.6 Ų | 48.6 | 63% | 0.631 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 149.8 | -172.8 | -47.5 | -84.8 | 0 | 0 | 0 | 112.6 | V172 Y195 | D170-V172 VanDerWaalsContact C-N 3.35Å; D170-V172 PolarHBondContact O-N 3.48Å; D170-Y195 WeakPolarHBondContact O-CD1 3.29Å |
| 171 | G | 93.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 28.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K173 Y195 E196 | G171-K173 PolarHBondContact O-N 3.23Å; G171-Y195 CarbonylContact O-C 3.53Å; G171-Y195 VanDerWaalsContact O-CA 3.25Å; G171-Y195 WeakPolarHBondContact O-CA 3.46Å; G171-E196 PolarHBondContact O-N 3.34Å |
| 172 | V | 96.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 118.7 | 167.7 | 173.6 | 0 | 0 | 0 | 0 | 108.9 | M162 M165 S166 T169 D170 V175 V193 Y195 | M162-V172 HydrophobicContact CG-CG1 4.26Å; M165-V172 HydrophobicContact CB-CG2 4.21Å; S166-V172 WeakPolarHBondContact OG-CB 3.32Å; T169-V172 WeakPolarHBondContact O-CG2 3.14Å; D170-V172 VanDerWaalsContact C-N 3.35Å; D170-V172 PolarHBondContact O-N 3.48Å; V172-V175 HydrophobicContact CG1-CG2 4.45Å; V172-V193 HydrophobicContact CG1-CG1 3.88Å; V172-V193 HydrophobicContact CG2-CG1 4.17Å; V172-Y195 HydrophobicContact CB-CE1 4.45Å; V172-Y195 HydrophobicContact CG2-CD1 4.11Å; V172-Y195 HydrophobicContact CG2-CE1 3.45Å; V172-Y195 VanDerWaalsContact CG2-CE1 3.45Å |
| 173 | K | 93.9 | Very high | 91.3 | Very high | 116 Ų | 116 | 54.5 Ų | 54.5 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -42.8 | -175.7 | 178.2 | -162.3 | 159.1 | -156.4 | 0 | 112.3 | G171 E194 E196 | G171-K173 PolarHBondContact O-N 3.23Å; K173-E194 WeakPolarHBondContact CA-O 3.33Å; K173-E194 WeakPolarHBondContact CB-O 3.36Å; K173-E194 PolarHBondContact N-O 3.13Å; K173-E194 IonicContact NZ-OE1 3.72Å; K173-E194 PolarHBondContact NZ-OE1 2.76Å; K173-E196 HydrophobicContact CB-CG 4.41Å |
| 174 | D | 94.8 | Very high | 90.8 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 159.2 | 178.6 | -167.9 | 32.4 | 0 | 0 | 0 | 112.7 | K158 E194 | K158-D174 WeakPolarHBondContact CE-OD1 3.37Å; K158-D174 IonicContact NZ-OD1 3.62Å; K158-D174 PolarHBondContact NZ-OD1 3.16Å; K158-D174 IonicContact NZ-OD2 3.74Å; D174-E194 HydrophobicContact CB-CB 4.48Å; D174-E194 PolarHBondContact N-O 3.29Å; D174-E194 PolarHBondContact O-N 3.42Å |
| 175 | V | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.9 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | K158 I161 M162 V172 V177 A191 F192 V193 | K158-V175 VanDerWaalsContact CD-O 3.27Å; K158-V175 WeakPolarHBondContact CD-O 3.19Å; K158-V175 WeakPolarHBondContact CE-O 3.33Å; K158-V175 HydrophobicContact CG-CB 4.32Å; K158-V175 PolarHBondContact NZ-O 3.21Å; I161-V175 HydrophobicContact CB-CG1 4.27Å; I161-V175 HydrophobicContact CG2-CG1 3.78Å; M162-V175 HydrophobicContact CB-CB 4.28Å; M162-V175 HydrophobicContact CB-CG2 3.65Å; M162-V175 HydrophobicContact CG-CG2 3.95Å; V172-V175 HydrophobicContact CG1-CG2 4.45Å; V175-V177 HydrophobicContact CG1-CG2 3.83Å; V175-A191 HydrophobicContact CG1-CB 3.97Å; V175-F192 CarbonylContact C-O 3.59Å; V175-F192 WeakPolarHBondContact CA-O 3.4Å; V175-V193 HydrophobicContact CG1-CG2 4.47Å; V175-V193 HydrophobicContact CG2-CG1 4.31Å; V175-V193 HydrophobicContact CG2-CG2 4.17Å |
| 176 | I | 93.4 | Very high | 90.2 | Very high | 34 Ų | 34 | 60 Ų | 60 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.7 | 177.3 | -57.6 | 167.9 | 0 | 0 | 0 | 108.5 | Y178 A191 F192 | I176-Y178 HydrophobicContact CG2-CE2 3.85Å; I176-A191 WeakPolarHBondContact O-CA 3.17Å; I176-F192 HydrophobicContact CB-CB 4.37Å; I176-F192 PolarHBondContact N-O 2.92Å; I176-F192 PolarHBondContact O-N 3.22Å |
| 177 | V | 93.1 | Very high | 90.1 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.2 | -179.3 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | K158 I161 V175 N187 A191 | K158-V177 HydrophobicContact CB-CG2 4.02Å; I161-V177 HydrophobicContact CD1-CG1 4.42Å; I161-V177 HydrophobicContact CD1-CG2 3.83Å; V175-V177 HydrophobicContact CG1-CG2 3.83Å; V177-N187 HydrophobicContact CG1-CB 3.39Å; V177-A191 HydrophobicContact CG2-CB 4.05Å |
| 178 | Y | 89.2 | Confident | 90.1 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.9 | 178.5 | -71.3 | -88.4 | 0 | 0 | 0 | 111.3 | I176 R188 F190 F192 | I176-Y178 HydrophobicContact CG2-CE2 3.85Å; Y178-R188 WeakPolarHBondContact O-CG 3.29Å; Y178-R188 PolarHBondContact O-N 3.15Å; Y178-F190 AromaticContact CD2-CE2 3.9Å; Y178-F190 HydrophobicContact CD2-CE2 3.9Å; Y178-F190 HydrophobicContact CD2-CZ 4.47Å; Y178-F192 HydrophobicContact CD2-CD2 4.4Å; Y178-F192 HydrophobicContact CD2-CE2 4.32Å; Y178-F192 AromaticContact CE2-CD2 3.81Å; Y178-F192 HydrophobicContact CE2-CD2 3.81Å; Y178-F192 AromaticContact CE2-CE2 3.74Å; Y178-F192 HydrophobicContact CE2-CE2 3.74Å |
| 179 | P | 87 | Confident | 90.2 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 29% | 0.286 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 142.5 | 173 | -23.4 | 33.8 | 0 | 0 | 0 | 112.3 | K184 R188 | P179-K184 HydrophobicContact CB-CB 4.35Å; P179-K184 HydrophobicContact CB-CG 4.27Å; P179-R188 VanDerWaalsContact O-CZ 3.31Å; P179-R188 PolarHBondContact O-NE 3.25Å; P179-R188 PolarHBondContact O-NH2 3.1Å |
| 180 | S | 87.6 | Confident | 90.3 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 144.8 | 177.2 | 161.7 | 0 | 0 | 0 | 0 | 111.8 | V182 D183 K186 | S180-V182 VanDerWaalsContact C-N 3.26Å; S180-V182 PolarHBondContact O-N 2.89Å; S180-V182 PolarHBondContact OG-N 3.37Å; S180-D183 VanDerWaalsContact CB-O 3.28Å; S180-D183 WeakPolarHBondContact CB-O 3.45Å; S180-K186 WeakPolarHBondContact CB-O 3.37Å; S180-K186 PolarHBondContact N-O 2.65Å |
| 181 | L | 79.9 | Confident | 90.4 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 32% | 0.319 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -66.9 | -26.8 | -177.6 | -63.1 | 173.9 | 0 | 0 | 0 | 113.4 | L249 D278 | L181-L249 WeakPolarHBondContact O-CD1 3.45Å; L181-D278 HydrophobicContact CD2-CB 3.55Å; L181-D278 WeakPolarHBondContact CD2-OD1 3.21Å; L181-D278 WeakPolarHBondContact CD2-OD2 3.31Å |
| 182 | V | 80.7 | Confident | 90.5 | Very high | 137 Ų | 137 | 51.7 Ų | 51.7 | 83% | 0.83 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -98.6 | -28.3 | -175.4 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | S180 | S180-V182 VanDerWaalsContact C-N 3.26Å; S180-V182 PolarHBondContact O-N 2.89Å; S180-V182 PolarHBondContact OG-N 3.37Å |
| 183 | D | 85.1 | Confident | 90.5 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | trans | -151.6 | 103.7 | -172.4 | 175.4 | -2.1 | 0 | 0 | 0 | 109.2 | S180 T185 K186 | S180-D183 VanDerWaalsContact CB-O 3.28Å; S180-D183 WeakPolarHBondContact CB-O 3.45Å; D183-T185 VanDerWaalsContact CG-OG1 3.31Å; D183-T185 PolarHBondContact O-N 3.38Å; D183-T185 WeakPolarHBondContact OD1-CB 3.09Å; D183-T185 PolarHBondContact OD1-N 2.95Å; D183-T185 PolarHBondContact OD1-OG1 3.49Å; D183-T185 PolarHBondContact OD2-OG1 3.07Å; D183-K186 PolarHBondContact O-N 3.15Å; D183-K186 VanDerWaalsContact O-N 3.14Å; D183-K186 WeakPolarHBondContact OD2-CD 3.07Å; D183-K186 WeakPolarHBondContact OD2-CE 3.43Å; D183-K186 IonicContact OD2-NZ 2.95Å; D183-K186 PolarHBondContact OD2-NZ 2.98Å | ||
| 184 | K | 84 | Confident | 90.5 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -4.8 | -175.2 | -67.3 | -172.2 | 176.8 | 178.7 | 0 | 114.3 | P179 N246 L247 M248 A305 | P179-K184 HydrophobicContact CB-CB 4.35Å; P179-K184 HydrophobicContact CB-CG 4.27Å; K184-N246 VanDerWaalsContact CD-OD1 3.29Å; K184-N246 WeakPolarHBondContact CD-OD1 3.49Å; K184-N246 WeakPolarHBondContact CE-OD1 3.27Å; K184-N246 VanDerWaalsContact NZ-C 3.34Å; K184-N246 PolarHBondContact NZ-O 3.45Å; K184-N246 PolarHBondContact NZ-OD1 3.36Å; K184-L247 VanDerWaalsContact NZ-C 3.28Å; K184-L247 PolarHBondContact NZ-O 3.41Å; K184-M248 HydrophobicContact CD-CE 3.62Å; K184-M248 HydrophobicContact CG-CE 4.2Å; K184-A305 HydrophobicContact CD-CB 4.02Å |
| 185 | T | 85.6 | Confident | 90.5 | Very high | 117 Ų | 117 | 44.4 Ų | 44.4 | 72% | 0.718 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -15 | 168.8 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | D183 | D183-T185 VanDerWaalsContact CG-OG1 3.31Å; D183-T185 PolarHBondContact O-N 3.38Å; D183-T185 WeakPolarHBondContact OD1-CB 3.09Å; D183-T185 PolarHBondContact OD1-N 2.95Å; D183-T185 PolarHBondContact OD1-OG1 3.49Å; D183-T185 PolarHBondContact OD2-OG1 3.07Å |
| 186 | K | 89.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 39% | 0.391 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -114.1 | 150.2 | -175.4 | -68.3 | -179.1 | -177.7 | 62.8 | 0 | 111.9 | K154 S180 D183 | K154-K186 HydrophobicContact CB-CB 4.42Å; K154-K186 CarbonylContact O-C 3.59Å; K154-K186 VanDerWaalsContact O-CA 3.26Å; K154-K186 WeakPolarHBondContact O-CA 3.43Å; K154-K186 VanDerWaalsContact O-CB 3.28Å; K154-K186 WeakPolarHBondContact O-CB 3.42Å; S180-K186 WeakPolarHBondContact CB-O 3.37Å; S180-K186 PolarHBondContact N-O 2.65Å; D183-K186 PolarHBondContact O-N 3.15Å; D183-K186 VanDerWaalsContact O-N 3.14Å; D183-K186 WeakPolarHBondContact OD2-CD 3.07Å; D183-K186 WeakPolarHBondContact OD2-CE 3.43Å; D183-K186 IonicContact OD2-NZ 2.95Å; D183-K186 PolarHBondContact OD2-NZ 2.98Å |
| 187 | N | 93.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.032 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 167.4 | 171.4 | 73.7 | 61.2 | 0 | 0 | 0 | 112 | P153 K154 K156 V177 G189 | P153-N187 PolarHBondContact O-ND2 3.33Å; K154-N187 WeakPolarHBondContact CA-OD1 3.07Å; K154-N187 PolarHBondContact O-N 3.37Å; K154-N187 PolarHBondContact O-ND2 3.21Å; K156-N187 PolarHBondContact N-ND2 2.98Å; K156-N187 PolarHBondContact O-ND2 3.38Å; V177-N187 HydrophobicContact CG1-CB 3.39Å; N187-G189 VanDerWaalsContact C-N 3.26Å; N187-G189 PolarHBondContact O-N 2.91Å; N187-G189 WeakPolarHBondContact OD1-CA 3.33Å; N187-G189 PolarHBondContact OD1-N 3.04Å |
| 188 | R | 91.9 | Very high | 89.5 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -4.9 | -179.6 | -74 | 180 | -164.2 | -163.4 | 0.3 | 115.4 | Y178 P179 F190 D278 | Y178-R188 WeakPolarHBondContact O-CG 3.29Å; Y178-R188 PolarHBondContact O-N 3.15Å; P179-R188 VanDerWaalsContact O-CZ 3.31Å; P179-R188 PolarHBondContact O-NE 3.25Å; P179-R188 PolarHBondContact O-NH2 3.1Å; R188-F190 HydrophobicContact CB-CD1 3.76Å; R188-F190 HydrophobicContact CB-CE1 3.41Å; R188-F190 VanDerWaalsContact CB-CE1 3.41Å; R188-F190 HydrophobicContact CB-CZ 4.03Å; R188-F190 HydrophobicContact CG-CE1 4.28Å; R188-D278 IonicContact CZ-OD2 3.46Å; R188-D278 IonicContact NH1-OD2 3.8Å; R188-D278 PolarHBondContact NH1-OD2 3.44Å; R188-D278 IonicContact NH2-OD2 3.71Å; R188-D278 PolarHBondContact NH2-OD2 2.9Å |
| 189 | G | 93.2 | Very high | 89.3 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.5 | 11.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | G151 I152 N187 | G151-G189 PolarHBondContact N-O 3.3Å; G151-G189 VanDerWaalsContact N-O 3.07Å; I152-G189 PolarHBondContact N-O 3.44Å; I152-G189 WeakPolarHBondContact O-CA 3.28Å; N187-G189 VanDerWaalsContact C-N 3.26Å; N187-G189 PolarHBondContact O-N 2.91Å; N187-G189 WeakPolarHBondContact OD1-CA 3.33Å; N187-G189 PolarHBondContact OD1-N 3.04Å |
| 190 | F | 94.8 | Very high | 89.5 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 23% | 0.228 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 160.4 | 176.8 | 67.9 | -95.4 | 0 | 0 | 0 | 111.1 | F148 I149 Y178 R188 F192 | F148-F190 HydrophobicContact CD2-CD2 4.23Å; F148-F190 HydrophobicContact CE2-CB 3.6Å; F148-F190 HydrophobicContact CE2-CD1 4.4Å; F148-F190 AromaticContact CE2-CD2 3.62Å; F148-F190 HydrophobicContact CE2-CD2 3.62Å; F148-F190 HydrophobicContact CE2-CE2 4.38Å; F148-F190 AromaticContact CE2-CG 3.64Å; F148-F190 HydrophobicContact CE2-CG 3.64Å; F148-F190 HydrophobicContact CZ-CB 3.74Å; F148-F190 HydrophobicContact CZ-CG 4.15Å; I149-F190 CarbonylContact O-C 3.58Å; I149-F190 WeakPolarHBondContact O-CA 3.18Å; I149-F190 WeakPolarHBondContact O-CB 3.14Å; Y178-F190 AromaticContact CD2-CE2 3.9Å; Y178-F190 HydrophobicContact CD2-CE2 3.9Å; Y178-F190 HydrophobicContact CD2-CZ 4.47Å; R188-F190 HydrophobicContact CB-CD1 3.76Å; R188-F190 HydrophobicContact CB-CE1 3.41Å; R188-F190 VanDerWaalsContact CB-CE1 3.41Å; R188-F190 HydrophobicContact CB-CZ 4.03Å; R188-F190 HydrophobicContact CG-CE1 4.28Å; F190-F192 HydrophobicContact CD2-CE2 4.31Å; F190-F192 AromaticContact CE2-CE2 3.94Å; F190-F192 HydrophobicContact CE2-CE2 3.94Å |
| 191 | A | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 166.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | I149 I152 I161 V175 I176 V177 | I149-A191 PolarHBondContact N-O 3.44Å; I149-A191 PolarHBondContact O-N 3.24Å; I152-A191 HydrophobicContact CD1-CB 3.61Å; I161-A191 HydrophobicContact CD1-CB 4.43Å; I161-A191 HydrophobicContact CG2-CB 4.25Å; V175-A191 HydrophobicContact CG1-CB 3.97Å; I176-A191 WeakPolarHBondContact O-CA 3.17Å; V177-A191 HydrophobicContact CG2-CB 4.05Å |
| 192 | F | 96 | Very high | 90.3 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 19% | 0.193 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.9 | 162 | -63.3 | -88.5 | 0 | 0 | 0 | 109.5 | R146 L147 F148 V175 I176 Y178 F190 A225 | R146-F192 HydrophobicContact CG-CB 4.03Å; R146-F192 HydrophobicContact CG-CD1 4.5Å; L147-F192 CarbonylContact O-C 3.6Å; L147-F192 VanDerWaalsContact O-CA 3.25Å; L147-F192 WeakPolarHBondContact O-CA 3.48Å; F148-F192 HydrophobicContact CB-CD1 4.1Å; F148-F192 HydrophobicContact CB-CE1 3.94Å; F148-F192 HydrophobicContact CD2-CD1 4.36Å; F148-F192 AromaticContact CD2-CE1 3.82Å; F148-F192 HydrophobicContact CD2-CE1 3.82Å; F148-F192 AromaticContact CD2-CZ 3.99Å; F148-F192 HydrophobicContact CD2-CZ 3.99Å; F148-F192 HydrophobicContact CG-CE1 4.38Å; V175-F192 CarbonylContact C-O 3.59Å; V175-F192 WeakPolarHBondContact CA-O 3.4Å; I176-F192 HydrophobicContact CB-CB 4.37Å; I176-F192 PolarHBondContact N-O 2.92Å; I176-F192 PolarHBondContact O-N 3.22Å; Y178-F192 HydrophobicContact CD2-CD2 4.4Å; Y178-F192 HydrophobicContact CD2-CE2 4.32Å; Y178-F192 AromaticContact CE2-CD2 3.81Å; Y178-F192 HydrophobicContact CE2-CD2 3.81Å; Y178-F192 AromaticContact CE2-CE2 3.74Å; Y178-F192 HydrophobicContact CE2-CE2 3.74Å; F190-F192 HydrophobicContact CD2-CE2 4.31Å; F190-F192 AromaticContact CE2-CE2 3.94Å; F190-F192 HydrophobicContact CE2-CE2 3.94Å; F192-A225 HydrophobicContact CD1-CB 3.64Å; F192-A225 HydrophobicContact CE1-CB 3.88Å |
| 193 | V | 95.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.2 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | R146 L147 I149 M165 V172 V175 Y195 | R146-V193 CarbonylContact C-O 3.49Å; R146-V193 VanDerWaalsContact CA-O 3.3Å; R146-V193 WeakPolarHBondContact CA-O 3.36Å; L147-V193 PolarHBondContact N-O 3.41Å; L147-V193 PolarHBondContact O-N 3.17Å; I149-V193 HydrophobicContact CG1-CB 4.37Å; I149-V193 HydrophobicContact CG1-CG2 3.63Å; M165-V193 HydrophobicContact CE-CB 4.41Å; M165-V193 HydrophobicContact CE-CG1 4.27Å; M165-V193 HydrophobicContact CE-CG2 3.99Å; M165-V193 HydrophobicContact CG-CG2 4.03Å; M165-V193 HydrophobicContact SD-CG2 4.34Å; V172-V193 HydrophobicContact CG1-CG1 3.88Å; V172-V193 HydrophobicContact CG2-CG1 4.17Å; V175-V193 HydrophobicContact CG1-CG2 4.47Å; V175-V193 HydrophobicContact CG2-CG1 4.31Å; V175-V193 HydrophobicContact CG2-CG2 4.17Å; V193-Y195 HydrophobicContact CB-CE2 4.01Å; V193-Y195 HydrophobicContact CG1-CD2 4.25Å; V193-Y195 HydrophobicContact CG1-CE2 3.56Å |
| 194 | E | 94.2 | Very high | 91.1 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 15% | 0.15 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.6 | 175.2 | -173.2 | 171.4 | 130.6 | 0 | 0 | 109.6 | R146 K173 D174 | R146-E194 HydrophobicContact CG-CB 4.49Å; R146-E194 IonicContact CZ-OE2 2.82Å; R146-E194 IonicContact NE-OE2 3.62Å; R146-E194 PolarHBondContact NE-OE2 3.42Å; R146-E194 IonicContact NH2-OE2 2.65Å; R146-E194 PolarHBondContact NH2-OE2 2.83Å; K173-E194 WeakPolarHBondContact CA-O 3.33Å; K173-E194 WeakPolarHBondContact CB-O 3.36Å; K173-E194 PolarHBondContact N-O 3.13Å; K173-E194 IonicContact NZ-OE1 3.72Å; K173-E194 PolarHBondContact NZ-OE1 2.76Å; D174-E194 HydrophobicContact CB-CB 4.48Å; D174-E194 PolarHBondContact N-O 3.29Å; D174-E194 PolarHBondContact O-N 3.42Å |
| 195 | Y | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 159.2 | 175.9 | -66.8 | -95.8 | 0 | 0 | 0 | 110.5 | C145 L147 M165 T169 D170 G171 V172 V193 N197 A201 A204 | C145-Y195 WeakPolarHBondContact CB-O 3.23Å; C145-Y195 PolarHBondContact O-N 3.32Å; L147-Y195 HydrophobicContact CB-CE2 4.41Å; L147-Y195 HydrophobicContact CD1-CE2 3.72Å; L147-Y195 HydrophobicContact CG-CD2 4.34Å; L147-Y195 HydrophobicContact CG-CE2 3.89Å; M165-Y195 WeakPolarHBondContact CE-OH 3.17Å; T169-Y195 PolarHBondContact OG1-OH 2.93Å; D170-Y195 WeakPolarHBondContact O-CD1 3.29Å; G171-Y195 CarbonylContact O-C 3.53Å; G171-Y195 VanDerWaalsContact O-CA 3.25Å; G171-Y195 WeakPolarHBondContact O-CA 3.46Å; V172-Y195 HydrophobicContact CB-CE1 4.45Å; V172-Y195 HydrophobicContact CG2-CD1 4.11Å; V172-Y195 HydrophobicContact CG2-CE1 3.45Å; V172-Y195 VanDerWaalsContact CG2-CE1 3.45Å; V193-Y195 HydrophobicContact CB-CE2 4.01Å; V193-Y195 HydrophobicContact CG1-CD2 4.25Å; V193-Y195 HydrophobicContact CG1-CE2 3.56Å; Y195-N197 VanDerWaalsContact C-N 3.29Å; Y195-N197 PolarHBondContact O-N 2.82Å; Y195-A201 HydrophobicContact CD2-CB 4.03Å; Y195-A201 HydrophobicContact CG-CB 4.13Å; Y195-A204 HydrophobicContact CD1-CB 4.21Å; Y195-A204 HydrophobicContact CE1-CB 3.47Å; Y195-A204 VanDerWaalsContact CE1-CB 3.47Å; Y195-A204 HydrophobicContact CE2-CB 4.02Å; Y195-A204 WeakPolarHBondContact OH-CB 3.14Å |
| 196 | E | 90 | Very high | 91.6 | Very high | 111 Ų | 111 | 50.4 Ų | 50.4 | 52% | 0.519 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -53.3 | -45.2 | 177.5 | -70 | 174.2 | -164.6 | 0 | 0 | 112.9 | K63 G171 K173 | K63-E196 WeakPolarHBondContact CE-O 3.38Å; K63-E196 PolarHBondContact NZ-O 3.35Å; K63-E196 VanDerWaalsContact NZ-O 3.09Å; G171-E196 PolarHBondContact O-N 3.34Å; K173-E196 HydrophobicContact CB-CG 4.41Å |
| 197 | N | 85.7 | Confident | 91.6 | Very high | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -148.3 | 169.6 | -170.4 | 68.2 | 81.2 | 0 | 0 | 0 | 112 | Y195 K199 T200 A201 | Y195-N197 VanDerWaalsContact C-N 3.29Å; Y195-N197 PolarHBondContact O-N 2.82Å; N197-K199 WeakPolarHBondContact OD1-CA 3.1Å; N197-K199 WeakPolarHBondContact OD1-CB 3.47Å; N197-K199 PolarHBondContact OD1-N 3.39Å; N197-T200 PolarHBondContact ND2-OG1 3.12Å; N197-T200 PolarHBondContact O-OG1 3.43Å; N197-T200 VanDerWaalsContact O-OG1 3.12Å; N197-T200 PolarHBondContact OD1-N 3.16Å; N197-T200 PolarHBondContact OD1-OG1 3.25Å; N197-A201 PolarHBondContact O-N 2.93Å; N197-A201 VanDerWaalsContact O-N 3.13Å |
| 198 | H | 86 | Confident | 91.4 | Very high | 86 Ų | 86 | 50.7 Ų | 50.7 | 40% | 0.398 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.1 | -32.8 | -177 | -176.2 | 62 | 0 | 0 | 0 | 113.4 | N144 C145 A201 A202 W224 | N144-H198 PolarHBondContact O-ND1 3.09Å; C145-H198 PolarHBondContact SG-N 3.47Å; H198-A201 PolarHBondContact O-N 2.97Å; H198-A202 VanDerWaalsContact O-CB 3.31Å; H198-A202 WeakPolarHBondContact O-CB 3.34Å; H198-A202 PolarHBondContact O-N 3.38Å; H198-W224 AromaticContact CE1-CH2 3.44Å; H198-W224 VanDerWaalsContact CE1-CH2 3.44Å; H198-W224 WeakPolarHBondContact CE1-CH2 3.19Å; H198-W224 AromaticContact CE1-CZ2 3.79Å; H198-W224 AromaticContact ND1-CH2 3.69Å |
| 199 | K | 84.1 | Confident | 90.8 | Very high | 129 Ų | 129 | 51 Ų | 51 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63 | -45 | 176.4 | -170.8 | 171.9 | -178 | 171.2 | 0 | 110.5 | E44 N197 A202 M203 | E44-K199 IonicContact OE1-NZ 3.51Å; N197-K199 WeakPolarHBondContact OD1-CA 3.1Å; N197-K199 WeakPolarHBondContact OD1-CB 3.47Å; N197-K199 PolarHBondContact OD1-N 3.39Å; K199-A202 PolarHBondContact O-N 3.19Å; K199-M203 WeakPolarHBondContact O-CG 3.2Å; K199-M203 PolarHBondContact O-N 2.85Å |
| 200 | T | 91.2 | Very high | 89.5 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | N197 A202 M203 A204 | N197-T200 PolarHBondContact ND2-OG1 3.12Å; N197-T200 PolarHBondContact O-OG1 3.43Å; N197-T200 VanDerWaalsContact O-OG1 3.12Å; N197-T200 PolarHBondContact OD1-N 3.16Å; N197-T200 PolarHBondContact OD1-OG1 3.25Å; T200-A202 PolarHBondContact O-N 2.98Å; T200-M203 PolarHBondContact O-N 2.96Å; T200-A204 WeakPolarHBondContact O-CB 3.37Å; T200-A204 PolarHBondContact O-N 3.25Å |
| 201 | A | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y195 N197 H198 R205 W224 | Y195-A201 HydrophobicContact CD2-CB 4.03Å; Y195-A201 HydrophobicContact CG-CB 4.13Å; N197-A201 PolarHBondContact O-N 2.93Å; N197-A201 VanDerWaalsContact O-N 3.13Å; H198-A201 PolarHBondContact O-N 2.97Å; A201-R205 PolarHBondContact O-N 3.18Å; A201-W224 HydrophobicContact CB-CH2 4.15Å; A201-W224 HydrophobicContact CB-CZ3 3.81Å |
| 202 | A | 90 | Very high | 86.7 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | H198 K199 T200 R205 R206 W224 | H198-A202 VanDerWaalsContact O-CB 3.31Å; H198-A202 WeakPolarHBondContact O-CB 3.34Å; H198-A202 PolarHBondContact O-N 3.38Å; K199-A202 PolarHBondContact O-N 3.19Å; T200-A202 PolarHBondContact O-N 2.98Å; A202-R205 PolarHBondContact O-N 3.38Å; A202-R206 PolarHBondContact O-N 3.39Å; A202-W224 HydrophobicContact CB-CH2 3.97Å; A202-W224 HydrophobicContact CB-CZ2 4.2Å |
| 203 | M | 88.4 | Confident | 85.6 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 174.4 | -68.4 | -57 | -165.5 | 0 | 0 | 111.8 | K199 T200 R206 K207 | K199-M203 WeakPolarHBondContact O-CG 3.2Å; K199-M203 PolarHBondContact O-N 2.85Å; T200-M203 PolarHBondContact O-N 2.96Å; M203-R206 PolarHBondContact O-N 3.36Å; M203-K207 WeakPolarHBondContact O-CB 3.27Å; M203-K207 PolarHBondContact O-N 2.91Å |
| 204 | A | 94.3 | Very high | 85 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | L147 T169 Y195 T200 R206 K207 L208 | L147-A204 HydrophobicContact CD1-CB 4.01Å; T169-A204 HydrophobicContact CG2-CB 3.74Å; Y195-A204 HydrophobicContact CD1-CB 4.21Å; Y195-A204 HydrophobicContact CE1-CB 3.47Å; Y195-A204 VanDerWaalsContact CE1-CB 3.47Å; Y195-A204 HydrophobicContact CE2-CB 4.02Å; Y195-A204 WeakPolarHBondContact OH-CB 3.14Å; T200-A204 WeakPolarHBondContact O-CB 3.37Å; T200-A204 PolarHBondContact O-N 3.25Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.9Å; A204-K207 PolarHBondContact O-N 2.81Å; A204-L208 VanDerWaalsContact O-CB 3.31Å; A204-L208 WeakPolarHBondContact O-CB 3.28Å; A204-L208 WeakPolarHBondContact O-CD1 3.24Å; A204-L208 VanDerWaalsContact O-CG 3.23Å; A204-L208 WeakPolarHBondContact O-CG 3.24Å; A204-L208 PolarHBondContact O-N 3.16Å |
| 205 | R | 92.7 | Very high | 84.4 | Confident | 88 Ų | 88 | 65.5 Ų | 65.5 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 174.8 | -173 | 175.8 | -177.1 | -87.9 | 6.5 | 111.6 | L147 A201 A202 I209 V222 D223 W224 | L147-R205 HydrophobicContact CD1-CB 4.02Å; L147-R205 HydrophobicContact CD2-CB 3.93Å; L147-R205 HydrophobicContact CD2-CG 4.35Å; A201-R205 PolarHBondContact O-N 3.18Å; A202-R205 PolarHBondContact O-N 3.38Å; R205-I209 WeakPolarHBondContact O-CG1 3.44Å; R205-I209 PolarHBondContact O-N 3.09Å; R205-V222 HydrophobicContact CG-CG1 4.27Å; R205-D223 IonicContact CZ-OD1 2.62Å; R205-D223 IonicContact NE-OD1 2.67Å; R205-D223 PolarHBondContact NE-OD1 2.71Å; R205-D223 IonicContact NH2-OD1 3.59Å; R205-D223 PolarHBondContact NH2-OD1 3.49Å; R205-W224 VanDerWaalsContact CD-CE2 3.49Å |
| 206 | R | 89.2 | Confident | 84.2 | Confident | 134 Ų | 134 | 68.4 Ų | 68.4 | 51% | 0.506 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 177.6 | -175.2 | 179.2 | -76.9 | 141.6 | -9.5 | 112.6 | A202 M203 A204 I209 C345 | A202-R206 PolarHBondContact O-N 3.39Å; M203-R206 PolarHBondContact O-N 3.36Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.9Å; R206-I209 WeakPolarHBondContact O-CD1 3.26Å; R206-I209 WeakPolarHBondContact O-CG1 3.42Å; R206-C345 PolarHBondContact NH2-SG 3.42Å |
| 207 | K | 89.4 | Confident | 83.8 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.6 | -34.2 | 178.5 | -164.3 | 172 | -176 | -172.4 | 0 | 112.5 | V168 T169 M203 A204 I213 | V168-K207 VanDerWaalsContact O-CD 3.3Å; V168-K207 WeakPolarHBondContact O-CD 3.4Å; V168-K207 WeakPolarHBondContact O-CE 3.4Å; V168-K207 PolarHBondContact O-NZ 3.19Å; T169-K207 HydrophobicContact CG2-CD 4.5Å; M203-K207 WeakPolarHBondContact O-CB 3.27Å; M203-K207 PolarHBondContact O-N 2.91Å; A204-K207 PolarHBondContact O-N 2.81Å; K207-I213 HydrophobicContact CG-CD1 4.18Å; K207-I213 WeakPolarHBondContact O-CD1 3.24Å |
| 208 | L | 88.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 18.7 | -177.8 | -60.5 | 167.1 | 0 | 0 | 0 | 114.3 | I149 M165 V168 T169 A204 I213 I220 V222 | I149-L208 HydrophobicContact CD1-CD1 4.25Å; M165-L208 HydrophobicContact CE-CD1 3.45Å; M165-L208 VanDerWaalsContact CE-CD1 3.45Å; V168-L208 HydrophobicContact CB-CD2 4.47Å; V168-L208 HydrophobicContact CG1-CD2 3.64Å; T169-L208 HydrophobicContact CG2-CD1 3.67Å; T169-L208 HydrophobicContact CG2-CD2 4.02Å; T169-L208 HydrophobicContact CG2-CG 3.7Å; A204-L208 VanDerWaalsContact O-CB 3.31Å; A204-L208 WeakPolarHBondContact O-CB 3.28Å; A204-L208 WeakPolarHBondContact O-CD1 3.24Å; A204-L208 VanDerWaalsContact O-CG 3.23Å; A204-L208 WeakPolarHBondContact O-CG 3.24Å; A204-L208 PolarHBondContact O-N 3.16Å; L208-I213 HydrophobicContact CD2-CD1 4.32Å; L208-I213 HydrophobicContact CD2-CG2 4.49Å; L208-I220 HydrophobicContact CB-CD1 4.15Å; L208-I220 HydrophobicContact CD2-CD1 3.9Å; L208-V222 HydrophobicContact CB-CB 4.37Å; L208-V222 HydrophobicContact CB-CG1 4.32Å; L208-V222 HydrophobicContact CB-CG2 3.8Å; L208-V222 WeakPolarHBondContact O-CG2 3.04Å |
| 209 | I | 78.6 | Confident | 83.6 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 41% | 0.41 | 35% | 0.352 | S | S | . | . | trans | -57.6 | 132.9 | 176.7 | -68.9 | 175.8 | 0 | 0 | 0 | 109.6 | R205 R206 G211 R212 | R205-I209 WeakPolarHBondContact O-CG1 3.44Å; R205-I209 PolarHBondContact O-N 3.09Å; R206-I209 WeakPolarHBondContact O-CD1 3.26Å; R206-I209 WeakPolarHBondContact O-CG1 3.42Å; I209-G211 PolarHBondContact O-N 2.82Å; I209-R212 PolarHBondContact O-N 2.83Å | ||
| 210 | P | 66.7 | Low | 83.9 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 132.4 | -179.7 | -27 | 34.9 | 0 | 0 | 0 | 112.4 | ||
| 211 | G | 64.8 | Low | 83.9 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.9 | -40.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | I209 | I209-G211 PolarHBondContact O-N 2.82Š|
| 212 | R | 67.5 | Low | 83.9 | Confident | 200 Ų | 200 | 66.4 Ų | 66.4 | 76% | 0.755 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.4 | 178.7 | -67.8 | -170.5 | -178.2 | -163.5 | 0.6 | 113.6 | I209 | I209-R212 PolarHBondContact O-N 2.83Š|
| 213 | I | 73.2 | Confident | 84 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | trans | -135.2 | 137.9 | -171.8 | -58 | -169.7 | 0 | 0 | 0 | 112.2 | V168 K207 L208 L215 | V168-I213 HydrophobicContact CG1-CD1 3.54Å; V168-I213 HydrophobicContact CG1-CG2 4.28Å; K207-I213 HydrophobicContact CG-CD1 4.18Å; K207-I213 WeakPolarHBondContact O-CD1 3.24Å; L208-I213 HydrophobicContact CD2-CD1 4.32Å; L208-I213 HydrophobicContact CD2-CG2 4.49Å; I213-L215 HydrophobicContact CG2-CD2 3.97Å | ||
| 214 | H | 82.3 | Confident | 84.2 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.8 | 171.6 | -67.3 | 81 | 0 | 0 | 0 | 109.8 | H218 | H214-H218 CarbonylContact C-O 3.57Å; H214-H218 VanDerWaalsContact CA-O 3.31Å; H214-H218 WeakPolarHBondContact CA-O 3.29Å |
| 215 | L | 82.5 | Confident | 84.1 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.6 | 174.6 | -59.3 | -173.6 | 0 | 0 | 0 | 109.5 | E164 M165 V168 I213 G217 H218 I220 | E164-L215 HydrophobicContact CG-CD2 4.3Å; M165-L215 HydrophobicContact SD-CD1 3.73Å; V168-L215 HydrophobicContact CG2-CD2 3.95Å; I213-L215 HydrophobicContact CG2-CD2 3.97Å; L215-G217 PolarHBondContact O-N 3.42Å; L215-G217 VanDerWaalsContact O-N 3.17Å; L215-H218 PolarHBondContact N-O 2.94Å; L215-H218 WeakPolarHBondContact O-CB 3.42Å; L215-H218 PolarHBondContact O-N 3.42Å; L215-I220 HydrophobicContact CB-CG2 4.05Å; L215-I220 HydrophobicContact CD1-CD1 4Å; L215-I220 HydrophobicContact CD1-CG2 4.1Å; L215-I220 HydrophobicContact CG-CD1 4.1Å; L215-I220 HydrophobicContact CG-CG2 4.05Å |
| 216 | W | 88.7 | Confident | 83.7 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36 | -172.6 | -43 | -72.2 | 0 | 0 | 0 | 113.4 | I152 P153 K156 I161 E164 H218 | I152-W216 HydrophobicContact CB-CZ3 4.45Å; I152-W216 HydrophobicContact CG1-CZ3 4.32Å; I152-W216 HydrophobicContact CG2-CH2 4.27Å; I152-W216 HydrophobicContact CG2-CZ3 3.88Å; P153-W216 HydrophobicContact CG-CB 4.24Å; P153-W216 HydrophobicContact CG-CD2 4.42Å; P153-W216 HydrophobicContact CG-CE3 3.96Å; K156-W216 HydrophobicContact CG-CD2 4.37Å; K156-W216 HydrophobicContact CG-CZ2 4.36Å; I161-W216 HydrophobicContact CB-CH2 4.29Å; I161-W216 HydrophobicContact CG1-CH2 3.83Å; I161-W216 HydrophobicContact CG1-CZ2 4.3Å; I161-W216 HydrophobicContact CG2-CH2 4.39Å; E164-W216 HydrophobicContact CB-CH2 4.19Å; E164-W216 HydrophobicContact CB-CZ2 3.43Å; E164-W216 VanDerWaalsContact CB-CZ2 3.43Å; E164-W216 HydrophobicContact CG-CZ2 3.8Å; W216-H218 PolarHBondContact O-N 2.83Å; W216-H218 PolarHBondContact O-ND1 3.46Å |
| 217 | G | 82.8 | Confident | 83.1 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 68% | 0.68 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 7.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | L215 | L215-G217 PolarHBondContact O-N 3.42Å; L215-G217 VanDerWaalsContact O-N 3.17Å |
| 218 | H | 82.6 | Confident | 82.3 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.3 | 177.1 | -68.1 | 57.6 | 0 | 0 | 0 | 110.3 | H214 L215 W216 I220 | H214-H218 CarbonylContact C-O 3.57Å; H214-H218 VanDerWaalsContact CA-O 3.31Å; H214-H218 WeakPolarHBondContact CA-O 3.29Å; L215-H218 PolarHBondContact N-O 2.94Å; L215-H218 WeakPolarHBondContact O-CB 3.42Å; L215-H218 PolarHBondContact O-N 3.42Å; W216-H218 PolarHBondContact O-N 2.83Å; W216-H218 PolarHBondContact O-ND1 3.46Å; H218-I220 PolarHBondContact O-N 2.8Å |
| 219 | Q | 85 | Confident | 81.4 | Confident | 118 Ų | 118 | 74.9 Ų | 74.9 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.4 | 169.9 | -169.5 | -175.9 | 38.4 | 0 | 0 | 108.8 | ||
| 220 | I | 90.9 | Very high | 81 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 153.8 | 177 | 57.4 | 170.6 | 0 | 0 | 0 | 111.3 | I149 G150 L208 L215 H218 V222 | I149-I220 HydrophobicContact CG2-CB 4.4Å; I149-I220 HydrophobicContact CG2-CG2 4.4Å; G150-I220 WeakPolarHBondContact O-CA 3.12Å; L208-I220 HydrophobicContact CB-CD1 4.15Å; L208-I220 HydrophobicContact CD2-CD1 3.9Å; L215-I220 HydrophobicContact CB-CG2 4.05Å; L215-I220 HydrophobicContact CD1-CD1 4Å; L215-I220 HydrophobicContact CD1-CG2 4.1Å; L215-I220 HydrophobicContact CG-CD1 4.1Å; L215-I220 HydrophobicContact CG-CG2 4.05Å; H218-I220 PolarHBondContact O-N 2.8Å; I220-V222 HydrophobicContact CD1-CG2 3.67Å; I220-V222 HydrophobicContact CG1-CG2 4.1Å |
| 221 | A | 91 | Very high | 81.4 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | G150 | G150-A221 PolarHBondContact N-O 3.07Å; G150-A221 PolarHBondContact O-N 2.77Å |
| 222 | V | 92.5 | Very high | 81.8 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 11% | 0.109 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.3 | -175.7 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | L147 F148 I149 R205 L208 I220 | L147-V222 HydrophobicContact CD1-CG1 4.02Å; F148-V222 WeakPolarHBondContact O-CA 3.48Å; I149-V222 HydrophobicContact CD1-CB 4.2Å; I149-V222 HydrophobicContact CD1-CG1 3.78Å; I149-V222 HydrophobicContact CD1-CG2 3.56Å; I149-V222 HydrophobicContact CG2-CG2 4.49Å; R205-V222 HydrophobicContact CG-CG1 4.27Å; L208-V222 HydrophobicContact CB-CB 4.37Å; L208-V222 HydrophobicContact CB-CG1 4.32Å; L208-V222 HydrophobicContact CB-CG2 3.8Å; L208-V222 WeakPolarHBondContact O-CG2 3.04Å; I220-V222 HydrophobicContact CD1-CG2 3.67Å; I220-V222 HydrophobicContact CG1-CG2 4.1Å |
| 223 | D | 92.7 | Very high | 82.4 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 42% | 0.422 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 173.9 | 171 | -157.2 | 7.6 | 0 | 0 | 0 | 111.8 | L147 F148 R205 | L147-D223 CarbonylContact C-O 3.48Å; L147-D223 WeakPolarHBondContact CA-O 3.41Å; F148-D223 PolarHBondContact N-O 3.32Å; F148-D223 PolarHBondContact O-N 2.92Å; F148-D223 VanDerWaalsContact O-N 3.1Å; R205-D223 IonicContact CZ-OD1 2.62Å; R205-D223 IonicContact NE-OD1 2.67Å; R205-D223 PolarHBondContact NE-OD1 2.71Å; R205-D223 IonicContact NH2-OD1 3.59Å; R205-D223 PolarHBondContact NH2-OD1 3.49Å |
| 224 | W | 92.1 | Very high | 82.9 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 134.9 | 170.3 | -70 | 116.5 | 0 | 0 | 0 | 110.9 | N144 L147 H198 A201 A202 R205 | N144-W224 HydrophobicContact CB-CE3 4.29Å; N144-W224 HydrophobicContact CB-CZ3 4.46Å; N144-W224 WeakPolarHBondContact O-CZ3 3.35Å; L147-W224 HydrophobicContact CD2-CD2 4.15Å; L147-W224 HydrophobicContact CD2-CE3 3.48Å; L147-W224 VanDerWaalsContact CD2-CE3 3.48Å; L147-W224 HydrophobicContact CD2-CH2 4.39Å; L147-W224 HydrophobicContact CD2-CZ3 3.61Å; H198-W224 AromaticContact CE1-CH2 3.44Å; H198-W224 VanDerWaalsContact CE1-CH2 3.44Å; H198-W224 WeakPolarHBondContact CE1-CH2 3.19Å; H198-W224 AromaticContact CE1-CZ2 3.79Å; H198-W224 AromaticContact ND1-CH2 3.69Å; A201-W224 HydrophobicContact CB-CH2 4.15Å; A201-W224 HydrophobicContact CB-CZ3 3.81Å; A202-W224 HydrophobicContact CB-CH2 3.97Å; A202-W224 HydrophobicContact CB-CZ2 4.2Å; R205-W224 VanDerWaalsContact CD-CE2 3.49Å |
| 225 | A | 92.6 | Very high | 83 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 3% | 0.033 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -70 | 148.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N144 R146 F192 P227 | N144-A225 PolarHBondContact ND2-O 3.25Å; R146-A225 HydrophobicContact CB-CB 3.87Å; R146-A225 HydrophobicContact CG-CB 3.71Å; R146-A225 VanDerWaalsContact O-CB 3.23Å; R146-A225 WeakPolarHBondContact O-CB 3.19Å; R146-A225 PolarHBondContact O-N 3.19Å; F192-A225 HydrophobicContact CD1-CB 3.64Å; F192-A225 HydrophobicContact CE1-CB 3.88Å; A225-P227 WeakPolarHBondContact O-CD 3.16Å |
| 226 | E | 85.2 | Confident | 83.2 | Confident | 164 Ų | 164 | 80.7 Ų | 80.7 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 122.2 | 170.5 | -169.6 | 174.6 | -167.6 | 0 | 0 | 109 | E228 | E226-E228 PolarHBondContact O-N 3.34Š|
| 227 | P | 75.4 | Confident | 83.2 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 131.4 | -173.2 | 18 | -28 | 0 | 0 | 0 | 111.4 | I142 N144 A225 R229 | I142-P227 HydrophobicContact CG2-CB 3.87Å; I142-P227 HydrophobicContact CG2-CG 3.98Å; N144-P227 WeakPolarHBondContact OD1-CB 3.38Å; A225-P227 WeakPolarHBondContact O-CD 3.16Å; P227-R229 PolarHBondContact O-N 2.77Å |
| 228 | E | 72.8 | Confident | 83.5 | Confident | 112 Ų | 112 | 85 Ų | 85 | 52% | 0.523 | 42% | 0.421 | S | S | . | . | trans | -65.2 | 107.6 | 175.5 | -84.4 | -161.5 | -120.5 | 0 | 0 | 110.7 | R146 E226 Q230 K313 | R146-E228 IonicContact CZ-OE1 2.66Å; R146-E228 IonicContact NH1-OE1 3.13Å; R146-E228 PolarHBondContact NH1-OE1 2.68Å; R146-E228 IonicContact NH2-OE1 3.82Å; R146-E228 PolarHBondContact NH2-OE1 2.95Å; E226-E228 PolarHBondContact O-N 3.34Å; E228-Q230 PolarHBondContact O-N 2.69Å; E228-K313 IonicContact OE2-NZ 3.32Å; E228-K313 PolarHBondContact OE2-NZ 2.8Å | ||
| 229 | R | 70 | Confident | 84 | Confident | 140 Ų | 140 | 81.2 Ų | 81.2 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | trans | -44.6 | 117.9 | 170.1 | -76.7 | -179.9 | -74.9 | -178 | -3.9 | 110.3 | P227 K313 D319 | P227-R229 PolarHBondContact O-N 2.77Å; R229-K313 PolarHBondContact O-NZ 3.46Å; R229-D319 VanDerWaalsContact CD-OD2 3.29Å; R229-D319 WeakPolarHBondContact CD-OD2 3.49Å; R229-D319 IonicContact CZ-OD2 3.01Å; R229-D319 IonicContact NE-OD2 3.38Å; R229-D319 IonicContact NH1-OD2 2.79Å; R229-D319 PolarHBondContact NH1-OD2 3.37Å | ||
| 230 | Q | 69.3 | Low | 84.5 | Confident | 141 Ų | 141 | 79.9 Ų | 79.9 | 66% | 0.659 | 40% | 0.395 | S | S | * | . | trans | -75 | 132.1 | 166.7 | -62.1 | -173.9 | 39.9 | 0 | 0 | 107.5 | E228 | E228-Q230 PolarHBondContact O-N 2.69Š| ||
| 231 | V | 75 | Confident | 84.8 | Confident | 44 Ų | 44 | 81.9 Ų | 81.9 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | trans | -116 | 134.7 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | E233 I235 M236 K313 P314 | V231-E233 PolarHBondContact O-N 3.43Å; V231-I235 HydrophobicContact CG1-CB 4.21Å; V231-I235 HydrophobicContact CG1-CG2 4.39Å; V231-M236 HydrophobicContact CB-CG 4.01Å; V231-M236 HydrophobicContact CB-SD 4.02Å; V231-M236 HydrophobicContact CG1-CG 3.84Å; V231-M236 HydrophobicContact CG1-SD 3.85Å; V231-K313 HydrophobicContact CG2-CB 4.47Å; V231-P314 HydrophobicContact CG1-CG 4.09Å | ||
| 232 | D | 74 | Confident | 85.1 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | trans | -53.1 | 129.3 | 176.7 | -176.5 | -9 | 0 | 0 | 0 | 111.1 | N234 I235 M236 | D232-N234 PolarHBondContact O-N 2.89Å; D232-N234 WeakPolarHBondContact OD1-CB 3.44Å; D232-N234 PolarHBondContact OD1-N 3.44Å; D232-N234 PolarHBondContact OD1-ND2 3.28Å; D232-I235 HydrophobicContact CB-CD1 4.04Å; D232-I235 HydrophobicContact CB-CG1 4.06Å; D232-I235 WeakPolarHBondContact O-CA 3.33Å; D232-I235 WeakPolarHBondContact O-CB 3.28Å; D232-I235 PolarHBondContact O-N 3.36Å; D232-M236 PolarHBondContact O-N 3.26Å | ||
| 233 | E | 80.3 | Confident | 85.3 | Confident | 152 Ų | 152 | 81.6 Ų | 81.6 | 71% | 0.71 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.3 | -28.7 | 176.7 | -64.3 | -175.5 | -173.6 | 0 | 0 | 112 | V231 I235 M236 S237 | V231-E233 PolarHBondContact O-N 3.43Å; E233-I235 PolarHBondContact O-N 3.28Å; E233-M236 PolarHBondContact O-N 3.41Å; E233-S237 VanDerWaalsContact O-CB 3.24Å; E233-S237 WeakPolarHBondContact O-CB 3.31Å; E233-S237 PolarHBondContact O-N 2.97Å; E233-S237 PolarHBondContact O-OG 2.88Å |
| 234 | N | 82.2 | Confident | 85.4 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.5 | -18.1 | 174.2 | -63.2 | -75.6 | 0 | 0 | 0 | 113.9 | D232 S237 K238 | D232-N234 PolarHBondContact O-N 2.89Å; D232-N234 WeakPolarHBondContact OD1-CB 3.44Å; D232-N234 PolarHBondContact OD1-N 3.44Å; D232-N234 PolarHBondContact OD1-ND2 3.28Å; N234-S237 PolarHBondContact O-OG 2.87Å; N234-K238 WeakPolarHBondContact O-CD 3.38Å; N234-K238 WeakPolarHBondContact O-CE 3.4Å; N234-K238 PolarHBondContact O-NZ 2.66Å |
| 235 | I | 85.6 | Confident | 85.5 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 43% | 0.431 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -92.6 | -46.2 | 171.4 | -55.5 | 174.9 | 0 | 0 | 0 | 108.8 | V231 D232 E233 S237 K238 V239 P314 | V231-I235 HydrophobicContact CG1-CB 4.21Å; V231-I235 HydrophobicContact CG1-CG2 4.39Å; D232-I235 HydrophobicContact CB-CD1 4.04Å; D232-I235 HydrophobicContact CB-CG1 4.06Å; D232-I235 WeakPolarHBondContact O-CA 3.33Å; D232-I235 WeakPolarHBondContact O-CB 3.28Å; D232-I235 PolarHBondContact O-N 3.36Å; E233-I235 PolarHBondContact O-N 3.28Å; I235-S237 PolarHBondContact O-N 3.1Å; I235-K238 WeakPolarHBondContact O-CB 2.73Å; I235-K238 PolarHBondContact O-N 3.47Å; I235-V239 PolarHBondContact O-N 3.13Å; I235-P314 HydrophobicContact CG2-CB 4.45Å; I235-P314 HydrophobicContact CG2-CG 3.79Å |
| 236 | M | 86.5 | Confident | 85.4 | Confident | 44 Ų | 44 | 78.5 Ų | 78.5 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.6 | -31.3 | 177 | -66 | -62.5 | -69.1 | 0 | 0 | 113.1 | V231 D232 E233 K238 V239 W311 P314 | V231-M236 HydrophobicContact CB-CG 4.01Å; V231-M236 HydrophobicContact CB-SD 4.02Å; V231-M236 HydrophobicContact CG1-CG 3.84Å; V231-M236 HydrophobicContact CG1-SD 3.85Å; D232-M236 PolarHBondContact O-N 3.26Å; E233-M236 PolarHBondContact O-N 3.41Å; M236-K238 PolarHBondContact O-N 2.88Å; M236-V239 PolarHBondContact O-N 3.21Å; M236-V239 HydrophobicContact SD-CG2 4.28Å; M236-W311 HydrophobicContact CE-CB 3.61Å; M236-W311 HydrophobicContact CE-CG 4.4Å; M236-P314 HydrophobicContact SD-CG 4.39Å |
| 237 | S | 87.9 | Confident | 85.7 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.6 | 174.6 | 68.3 | 0 | 0 | 0 | 0 | 114.3 | E233 N234 I235 R287 | E233-S237 VanDerWaalsContact O-CB 3.24Å; E233-S237 WeakPolarHBondContact O-CB 3.31Å; E233-S237 PolarHBondContact O-N 2.97Å; E233-S237 PolarHBondContact O-OG 2.88Å; N234-S237 PolarHBondContact O-OG 2.87Å; I235-S237 PolarHBondContact O-N 3.1Å; S237-R287 WeakPolarHBondContact O-CD 3.04Å; S237-R287 PolarHBondContact O-NE 2.96Å; S237-R287 PolarHBondContact O-NH1 2.86Å |
| 238 | K | 89.9 | Confident | 86.4 | Confident | 161 Ų | 161 | 70 Ų | 70 | 70% | 0.7 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -9.2 | 178.5 | -60 | 168.8 | -173.1 | 162.3 | 0 | 112.8 | N234 I235 M236 R240 | N234-K238 WeakPolarHBondContact O-CD 3.38Å; N234-K238 WeakPolarHBondContact O-CE 3.4Å; N234-K238 PolarHBondContact O-NZ 2.66Å; I235-K238 WeakPolarHBondContact O-CB 2.73Å; I235-K238 PolarHBondContact O-N 3.47Å; M236-K238 PolarHBondContact O-N 2.88Å; K238-R240 PolarHBondContact O-N 3.42Å |
| 239 | V | 93.3 | Very high | 87.2 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 11% | 0.109 | 33% | 0.331 | C | S | . | . | trans | -66.8 | 132.3 | 179.8 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | I235 M236 I241 R287 W311 P314 | I235-V239 PolarHBondContact O-N 3.13Å; M236-V239 PolarHBondContact O-N 3.21Å; M236-V239 HydrophobicContact SD-CG2 4.28Å; V239-I241 HydrophobicContact CG1-CB 4.34Å; V239-I241 WeakPolarHBondContact CG1-O 3.47Å; V239-R287 WeakPolarHBondContact O-CD 3.48Å; V239-R287 WeakPolarHBondContact O-CG 3.46Å; V239-R287 PolarHBondContact O-NE 3.13Å; V239-W311 HydrophobicContact CB-CE3 4.25Å; V239-W311 HydrophobicContact CG1-CE3 3.85Å; V239-W311 HydrophobicContact CG1-CZ3 4.46Å; V239-W311 WeakPolarHBondContact O-CZ3 3.03Å; V239-P314 HydrophobicContact CG2-CG 3.9Å | ||
| 240 | R | 95.3 | Very high | 88.2 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | trans | -121.5 | 22.4 | 177.3 | 65.2 | -178.1 | -172.5 | 78.9 | -7.8 | 112.5 | K238 E271 F284 | K238-R240 PolarHBondContact O-N 3.42Å; R240-E271 IonicContact CZ-OE2 3.16Å; R240-E271 IonicContact NH1-OE2 2.67Å; R240-E271 PolarHBondContact NH1-OE2 3.3Å; R240-E271 IonicContact NH2-OE2 2.75Å; R240-E271 PolarHBondContact NH2-OE2 3.44Å; R240-F284 WeakPolarHBondContact CD-O 3.41Å; R240-F284 PolarHBondContact NH1-O 2.93Å; R240-F284 PolarHBondContact O-N 2.92Å | ||
| 241 | I | 96.4 | Very high | 89.3 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.4 | -175.7 | -53.8 | 173.4 | 0 | 0 | 0 | 108.3 | V239 F281 V282 A312 | V239-I241 HydrophobicContact CG1-CB 4.34Å; V239-I241 WeakPolarHBondContact CG1-O 3.47Å; I241-F281 HydrophobicContact CG2-CB 4.1Å; I241-F281 HydrophobicContact CG2-CD1 4.28Å; I241-V282 CarbonylContact C-O 3.47Å; I241-V282 WeakPolarHBondContact CA-O 3.13Å; I241-A312 HydrophobicContact CB-CB 4.03Å; I241-A312 HydrophobicContact CG2-CB 3.76Å; I241-A312 WeakPolarHBondContact O-CB 3.47Å; I241-A312 PolarHBondContact O-N 3.38Å |
| 242 | L | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.1 | 171.6 | -56.7 | -176.9 | 0 | 0 | 0 | 110.1 | F260 F281 V282 F284 A290 A293 L294 V309 T310 W311 | L242-F260 HydrophobicContact CD1-CE1 4.23Å; L242-F281 CarbonylContact O-C 3.59Å; L242-F281 WeakPolarHBondContact O-CA 3.41Å; L242-V282 PolarHBondContact N-O 2.87Å; L242-V282 PolarHBondContact O-N 2.8Å; L242-F284 HydrophobicContact CD1-CD2 4.43Å; L242-F284 HydrophobicContact CD1-CE2 3.67Å; L242-F284 HydrophobicContact CD1-CZ 4.42Å; L242-F284 HydrophobicContact CG-CD2 4.31Å; L242-F284 HydrophobicContact CG-CE2 3.96Å; L242-A290 HydrophobicContact CD2-CB 4.22Å; L242-A290 HydrophobicContact CG-CB 4.26Å; L242-A293 HydrophobicContact CD1-CB 4.09Å; L242-L294 HydrophobicContact CD1-CB 4.12Å; L242-L294 HydrophobicContact CD2-CB 4.16Å; L242-L294 HydrophobicContact CD2-CD1 4.38Å; L242-V309 HydrophobicContact CB-CG1 4.01Å; L242-V309 HydrophobicContact CD1-CG1 3.7Å; L242-V309 HydrophobicContact CG-CG1 4.33Å; L242-T310 CarbonylContact C-O 3.47Å; L242-T310 WeakPolarHBondContact CA-O 3.2Å; L242-W311 HydrophobicContact CD2-CD2 4.08Å; L242-W311 HydrophobicContact CD2-CE3 3.65Å; L242-W311 HydrophobicContact CD2-CH2 4.17Å; L242-W311 HydrophobicContact CD2-CZ3 3.72Å |
| 243 | Y | 96.9 | Very high | 91.3 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.8 | 167.6 | 171.9 | -102.2 | 0 | 0 | 0 | 107.9 | R245 Y279 F281 V309 T310 | Y243-R245 HydrophobicContact CE1-CB 3.82Å; Y243-R245 HydrophobicContact CE1-CG 4.37Å; Y243-Y279 HydrophobicContact CD2-CD2 4.38Å; Y243-Y279 AromaticContact CE2-CD2 3.57Å; Y243-Y279 HydrophobicContact CE2-CD2 3.57Å; Y243-Y279 HydrophobicContact CE2-CE2 4.33Å; Y243-Y279 AromaticContact CE2-CG 3.91Å; Y243-Y279 HydrophobicContact CE2-CG 3.91Å; Y243-F281 HydrophobicContact CD2-CD1 4.18Å; Y243-F281 AromaticContact CD2-CE1 3.63Å; Y243-F281 HydrophobicContact CD2-CE1 3.63Å; Y243-F281 HydrophobicContact CD2-CE2 4.48Å; Y243-F281 AromaticContact CD2-CZ 3.81Å; Y243-F281 HydrophobicContact CD2-CZ 3.81Å; Y243-F281 HydrophobicContact CE2-CE1 4.49Å; Y243-F281 HydrophobicContact CE2-CZ 4.23Å; Y243-F281 HydrophobicContact CG-CE1 4.41Å; Y243-V309 WeakPolarHBondContact O-CA 3.31Å; Y243-T310 PolarHBondContact N-O 2.87Å; Y243-T310 PolarHBondContact O-N 2.81Å |
| 244 | V | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.3 | -178.5 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | L247 F260 Y279 A280 V282 I307 E308 V309 | V244-L247 HydrophobicContact CG1-CD2 3.96Å; V244-L247 HydrophobicContact CG1-CG 4.26Å; V244-F260 HydrophobicContact CB-CZ 4.43Å; V244-F260 HydrophobicContact CG1-CE2 4.48Å; V244-F260 HydrophobicContact CG1-CZ 4.15Å; V244-F260 HydrophobicContact CG2-CE1 3.85Å; V244-F260 HydrophobicContact CG2-CE2 4.16Å; V244-F260 HydrophobicContact CG2-CZ 3.4Å; V244-Y279 CarbonylContact O-C 3.56Å; V244-Y279 WeakPolarHBondContact O-CA 3.17Å; V244-Y279 VanDerWaalsContact O-CB 3.27Å; V244-Y279 WeakPolarHBondContact O-CB 3.35Å; V244-A280 PolarHBondContact N-O 2.93Å; V244-A280 PolarHBondContact O-N 2.99Å; V244-V282 HydrophobicContact CG2-CG2 3.76Å; V244-I307 HydrophobicContact CG1-CB 4.33Å; V244-I307 HydrophobicContact CG1-CD1 4.38Å; V244-E308 CarbonylContact C-O 3.59Å; V244-E308 WeakPolarHBondContact CA-O 3.48Å; V244-V309 HydrophobicContact CG1-CG2 4.29Å; V244-V309 HydrophobicContact CG2-CG1 4.32Å; V244-V309 HydrophobicContact CG2-CG2 4.32Å |
| 245 | R | 92.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 166.8 | 177.6 | 73.4 | 179.8 | -157.1 | -177.8 | 0.7 | 112.2 | Y243 E308 | Y243-R245 HydrophobicContact CE1-CB 3.82Å; Y243-R245 HydrophobicContact CE1-CG 4.37Å; R245-E308 HydrophobicContact CG-CB 3.83Å; R245-E308 HydrophobicContact CG-CG 4.37Å; R245-E308 IonicContact CZ-OE1 3.23Å; R245-E308 IonicContact CZ-OE2 3.68Å; R245-E308 PolarHBondContact N-O 3.48Å; R245-E308 IonicContact NE-OE1 3.89Å; R245-E308 PolarHBondContact NE-OE1 3.43Å; R245-E308 IonicContact NE-OE2 3.28Å; R245-E308 PolarHBondContact NE-OE2 2.92Å; R245-E308 IonicContact NH1-OE1 2.81Å; R245-E308 VanDerWaalsContact NH2-CD 3.29Å; R245-E308 IonicContact NH2-OE1 2.74Å; R245-E308 PolarHBondContact NH2-OE1 2.79Å; R245-E308 VanDerWaalsContact NH2-OE1 3.13Å; R245-E308 IonicContact NH2-OE2 3.4Å; R245-E308 PolarHBondContact NH2-OE2 3.39Å; R245-E308 PolarHBondContact O-N 3.12Å |
| 246 | N | 90.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | trans | 64.8 | 33.5 | -179.5 | -158.9 | 29.6 | 0 | 0 | 0 | 114.9 | K184 D278 A305 Q306 | K184-N246 VanDerWaalsContact CD-OD1 3.29Å; K184-N246 WeakPolarHBondContact CD-OD1 3.49Å; K184-N246 WeakPolarHBondContact CE-OD1 3.27Å; K184-N246 VanDerWaalsContact NZ-C 3.34Å; K184-N246 PolarHBondContact NZ-O 3.45Å; K184-N246 PolarHBondContact NZ-OD1 3.36Å; N246-D278 PolarHBondContact N-O 2.61Å; N246-A305 WeakPolarHBondContact O-CB 3.31Å; N246-Q306 PolarHBondContact ND2-O 2.92Å | ||
| 247 | L | 91.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -67.1 | 162.5 | 166.2 | -61 | 172.2 | 0 | 0 | 0 | 111.2 | K184 V244 V256 K275 D278 A280 F302 I307 | K184-L247 VanDerWaalsContact NZ-C 3.28Å; K184-L247 PolarHBondContact NZ-O 3.41Å; V244-L247 HydrophobicContact CG1-CD2 3.96Å; V244-L247 HydrophobicContact CG1-CG 4.26Å; L247-V256 HydrophobicContact CD1-CG2 4.08Å; L247-V256 HydrophobicContact CD2-CG2 4.2Å; L247-K275 HydrophobicContact CD1-CD 4.17Å; L247-K275 HydrophobicContact CD1-CG 4.29Å; L247-D278 PolarHBondContact N-O 3.25Å; L247-A280 HydrophobicContact CD1-CB 3.63Å; L247-F302 HydrophobicContact CD2-CD1 3.92Å; L247-F302 HydrophobicContact CD2-CE1 4.14Å; L247-I307 HydrophobicContact CD2-CG2 3.84Å | ||
| 248 | M | 90 | Very high | 94.1 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | trans | -76.2 | 163.6 | 166.7 | -64.3 | -97.8 | 82.9 | 0 | 0 | 110.5 | K184 H250 T251 K275 D303 A305 | K184-M248 HydrophobicContact CD-CE 3.62Å; K184-M248 HydrophobicContact CG-CE 4.2Å; M248-H250 WeakPolarHBondContact CB-CE1 3.48Å; M248-T251 WeakPolarHBondContact CA-OG1 3.36Å; M248-T251 VanDerWaalsContact CB-OG1 3.32Å; M248-T251 WeakPolarHBondContact CB-OG1 3.35Å; M248-T251 PolarHBondContact N-OG1 3.26Å; M248-T251 VanDerWaalsContact N-OG1 3.09Å; M248-T251 PolarHBondContact O-OG1 2.87Å; M248-K275 WeakPolarHBondContact O-CE 3.39Å; M248-K275 PolarHBondContact O-NZ 3.4Å; M248-D303 HydrophobicContact CG-CB 4.23Å; M248-D303 WeakPolarHBondContact CG-O 3.43Å; M248-A305 HydrophobicContact CE-CB 4.47Å; M248-A305 HydrophobicContact CG-CB 4.42Å | ||
| 249 | L | 88.8 | Confident | 94.3 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -65.5 | -40.3 | 174.4 | -75.1 | 167.4 | 0 | 0 | 0 | 111.5 | L181 K275 | L181-L249 WeakPolarHBondContact O-CD1 3.45Å; L249-K275 PolarHBondContact O-NZ 2.74Å |
| 250 | H | 90.8 | Very high | 94.5 | Very high | 125 Ų | 125 | 51 Ų | 51 | 58% | 0.579 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -78.9 | -16.2 | -178.8 | 63.4 | -88.1 | 0 | 0 | 0 | 115 | M248 T252 D303 | M248-H250 WeakPolarHBondContact CB-CE1 3.48Å; H250-T252 PolarHBondContact O-N 3.24Å; H250-D303 IonicContact CD2-OD1 3.44Å; H250-D303 IonicContact CD2-OD2 3.49Å; H250-D303 PolarHBondContact CD2-OD2 3.46Å; H250-D303 IonicContact CE1-OD1 2.86Å; H250-D303 IonicContact CE1-OD2 3.33Å; H250-D303 IonicContact NE2-OD1 3.57Å; H250-D303 PolarHBondContact NE2-OD1 3.1Å; H250-D303 IonicContact NE2-OD2 2.61Å; H250-D303 PolarHBondContact NE2-OD2 2.91Å |
| 251 | T | 93.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | trans | -54 | 129.6 | 175.3 | -39.6 | 0 | 0 | 0 | 0 | 110.5 | M248 V256 K275 F302 D303 | M248-T251 WeakPolarHBondContact CA-OG1 3.36Å; M248-T251 VanDerWaalsContact CB-OG1 3.32Å; M248-T251 WeakPolarHBondContact CB-OG1 3.35Å; M248-T251 PolarHBondContact N-OG1 3.26Å; M248-T251 VanDerWaalsContact N-OG1 3.09Å; M248-T251 PolarHBondContact O-OG1 2.87Å; T251-V256 HydrophobicContact CG2-CG2 4.03Å; T251-K275 WeakPolarHBondContact O-CD 3.36Å; T251-K275 WeakPolarHBondContact O-CE 3.25Å; T251-K275 PolarHBondContact O-NZ 3.33Å; T251-F302 HydrophobicContact CG2-CD1 4.3Å; T251-F302 HydrophobicContact CG2-CE1 3.44Å; T251-F302 VanDerWaalsContact CG2-CE1 3.44Å; T251-F302 HydrophobicContact CG2-CZ 3.91Å; T251-D303 WeakPolarHBondContact CA-OD2 3.39Å; T251-D303 VanDerWaalsContact CB-OD2 3.3Å; T251-D303 WeakPolarHBondContact CB-OD2 3.44Å; T251-D303 PolarHBondContact OG1-OD2 3.26Å | ||
| 252 | T | 95.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | trans | -92.5 | 161.5 | -178.1 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | H250 N254 A255 V256 | H250-T252 PolarHBondContact O-N 3.24Å; T252-N254 VanDerWaalsContact C-N 3.28Å; T252-N254 PolarHBondContact O-N 3.36Å; T252-A255 PolarHBondContact O-N 3.14Å; T252-A255 WeakPolarHBondContact OG1-CB 3.49Å; T252-A255 PolarHBondContact OG1-N 3.34Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 2.82Å | ||
| 253 | E | 96.6 | Very high | 94 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 174.3 | -67 | -170.3 | 141.8 | 0 | 0 | 112.2 | V256 K257 V273 K274 K275 | E253-V256 PolarHBondContact O-N 2.65Å; E253-K257 PolarHBondContact O-N 3.02Å; E253-V273 HydrophobicContact CB-CB 4.28Å; E253-V273 HydrophobicContact CB-CG1 4.12Å; E253-V273 HydrophobicContact CG-CG1 4.23Å; E253-K274 VanDerWaalsContact OE1-CA 3.24Å; E253-K274 WeakPolarHBondContact OE1-CA 3.41Å; E253-K275 HydrophobicContact CG-CB 3.64Å; E253-K275 PolarHBondContact OE1-N 3.05Å |
| 254 | N | 96 | Very high | 93.8 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 62% | 0.62 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.2 | -48.9 | 176.3 | -64.8 | 5.4 | 0 | 0 | 0 | 110.8 | T252 V256 K257 D258 | T252-N254 VanDerWaalsContact C-N 3.28Å; T252-N254 PolarHBondContact O-N 3.36Å; N254-V256 PolarHBondContact O-N 3.03Å; N254-K257 WeakPolarHBondContact O-CA 3.25Å; N254-K257 PolarHBondContact O-N 3Å; N254-D258 WeakPolarHBondContact O-CB 3.3Å; N254-D258 PolarHBondContact O-N 3.11Å |
| 255 | A | 96.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 59 Ų | 59 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.5 | -36.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T252 H259 F302 | T252-A255 PolarHBondContact O-N 3.14Å; T252-A255 WeakPolarHBondContact OG1-CB 3.49Å; T252-A255 PolarHBondContact OG1-N 3.34Å; A255-H259 VanDerWaalsContact O-CB 3.23Å; A255-H259 WeakPolarHBondContact O-CB 3.34Å; A255-H259 PolarHBondContact O-N 3.37Å; A255-F302 HydrophobicContact CB-CZ 4.16Å; A255-F302 WeakPolarHBondContact O-CZ 3.46Å |
| 256 | V | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 172.1 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L247 T251 T252 E253 N254 F260 V273 V282 F302 | L247-V256 HydrophobicContact CD1-CG2 4.08Å; L247-V256 HydrophobicContact CD2-CG2 4.2Å; T251-V256 HydrophobicContact CG2-CG2 4.03Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 2.82Å; E253-V256 PolarHBondContact O-N 2.65Å; N254-V256 PolarHBondContact O-N 3.03Å; V256-F260 HydrophobicContact CG1-CD2 4.03Å; V256-F260 HydrophobicContact CG1-CE2 4.21Å; V256-F260 WeakPolarHBondContact O-CB 3.45Å; V256-F260 VanDerWaalsContact O-CD2 3.25Å; V256-F260 WeakPolarHBondContact O-CD2 3.46Å; V256-F260 PolarHBondContact O-N 2.78Å; V256-V273 HydrophobicContact CB-CG1 4.15Å; V256-V273 HydrophobicContact CB-CG2 4.45Å; V256-V273 HydrophobicContact CG1-CG1 3.96Å; V256-V273 HydrophobicContact CG1-CG2 4.11Å; V256-V282 HydrophobicContact CG1-CG2 3.76Å; V256-F302 HydrophobicContact CG2-CE1 3.99Å |
| 257 | K | 96.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 65.8 Ų | 65.8 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 176.8 | 172.5 | 158.5 | 175.3 | 159.1 | 0 | 111.1 | E253 N254 F260 N261 D268 V270 V273 | E253-K257 PolarHBondContact O-N 3.02Å; N254-K257 WeakPolarHBondContact O-CA 3.25Å; N254-K257 PolarHBondContact O-N 3Å; K257-F260 PolarHBondContact O-N 2.87Å; K257-N261 WeakPolarHBondContact CE-ND2 3.47Å; K257-N261 WeakPolarHBondContact O-CB 3.21Å; K257-N261 PolarHBondContact O-N 2.8Å; K257-D268 IonicContact NZ-OD1 2.68Å; K257-D268 PolarHBondContact NZ-OD1 3.14Å; K257-V270 HydrophobicContact CB-CG1 4.28Å; K257-V270 HydrophobicContact CD-CB 4.37Å; K257-V270 HydrophobicContact CD-CG1 4.12Å; K257-V270 VanDerWaalsContact CE-O 3.24Å; K257-V270 WeakPolarHBondContact CE-O 3.47Å; K257-V270 HydrophobicContact CG-CB 4.08Å; K257-V270 HydrophobicContact CG-CG1 3.94Å; K257-V270 PolarHBondContact NZ-O 2.98Å; K257-V273 HydrophobicContact CB-CG2 3.83Å |
| 258 | D | 95 | Very high | 93 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | -176 | -61 | -28.4 | 0 | 0 | 0 | 111.1 | N254 F260 N261 Q262 | N254-D258 WeakPolarHBondContact O-CB 3.3Å; N254-D258 PolarHBondContact O-N 3.11Å; D258-F260 PolarHBondContact O-N 3.48Å; D258-N261 PolarHBondContact O-N 3.22Å; D258-Q262 WeakPolarHBondContact O-CB 3.34Å; D258-Q262 PolarHBondContact O-N 3.35Å |
| 259 | H | 95.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.2 | -172.4 | 57.4 | 0 | 0 | 0 | 112.7 | A255 Q262 A263 F302 | A255-H259 VanDerWaalsContact O-CB 3.23Å; A255-H259 WeakPolarHBondContact O-CB 3.34Å; A255-H259 PolarHBondContact O-N 3.37Å; H259-Q262 PolarHBondContact O-N 3.44Å; H259-A263 PolarHBondContact O-N 2.79Å; H259-A263 VanDerWaalsContact O-N 3.15Å; H259-F302 HydrophobicContact CB-CD2 4.25Å; H259-F302 HydrophobicContact CB-CE2 3.68Å; H259-F302 HydrophobicContact CB-CZ 3.95Å; H259-F302 AromaticContact CD2-CD2 3.45Å; H259-F302 VanDerWaalsContact CD2-CD2 3.45Å; H259-F302 WeakPolarHBondContact CD2-CD2 3.45Å; H259-F302 AromaticContact CD2-CE2 3.79Å; H259-F302 AromaticContact CD2-CG 3.7Å; H259-F302 AromaticContact CE1-CD2 3.97Å; H259-F302 AromaticContact CG-CD2 3.66Å; H259-F302 AromaticContact CG-CE2 3.61Å; H259-F302 AromaticContact ND1-CD2 3.98Å; H259-F302 AromaticContact NE2-CD2 3.67Å; H259-F302 AromaticContact NE2-CG 3.92Å |
| 260 | F | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.5 | -36.3 | 179 | -84.6 | -112.4 | 0 | 0 | 0 | 112.7 | L242 V244 V256 K257 D258 I264 V270 V282 F284 A293 L297 I307 V309 | L242-F260 HydrophobicContact CD1-CE1 4.23Å; V244-F260 HydrophobicContact CB-CZ 4.43Å; V244-F260 HydrophobicContact CG1-CE2 4.48Å; V244-F260 HydrophobicContact CG1-CZ 4.15Å; V244-F260 HydrophobicContact CG2-CE1 3.85Å; V244-F260 HydrophobicContact CG2-CE2 4.16Å; V244-F260 HydrophobicContact CG2-CZ 3.4Å; V256-F260 HydrophobicContact CG1-CD2 4.03Å; V256-F260 HydrophobicContact CG1-CE2 4.21Å; V256-F260 WeakPolarHBondContact O-CB 3.45Å; V256-F260 VanDerWaalsContact O-CD2 3.25Å; V256-F260 WeakPolarHBondContact O-CD2 3.46Å; V256-F260 PolarHBondContact O-N 2.78Å; K257-F260 PolarHBondContact O-N 2.87Å; D258-F260 PolarHBondContact O-N 3.48Å; F260-I264 WeakPolarHBondContact O-CG1 3.21Å; F260-V270 HydrophobicContact CB-CG2 3.88Å; F260-V282 HydrophobicContact CB-CG1 4.35Å; F260-V282 HydrophobicContact CD1-CB 4.44Å; F260-V282 HydrophobicContact CD1-CG1 4.05Å; F260-V282 HydrophobicContact CD1-CG2 4.22Å; F260-V282 HydrophobicContact CE1-CG2 4.29Å; F260-V282 HydrophobicContact CG-CG1 4.29Å; F260-V282 HydrophobicContact CG-CG2 4.42Å; F260-F284 HydrophobicContact CB-CZ 4.37Å; F260-F284 HydrophobicContact CD1-CE2 4.32Å; F260-F284 HydrophobicContact CD1-CZ 4Å; F260-A293 HydrophobicContact CD1-CB 4.27Å; F260-L297 HydrophobicContact CB-CD1 4.26Å; F260-L297 HydrophobicContact CD1-CD1 3.57Å; F260-L297 HydrophobicContact CD2-CD1 3.77Å; F260-L297 HydrophobicContact CE1-CB 4.42Å; F260-L297 HydrophobicContact CE1-CD1 3.67Å; F260-L297 HydrophobicContact CE2-CD1 3.87Å; F260-L297 HydrophobicContact CG-CD1 3.61Å; F260-L297 HydrophobicContact CZ-CB 4.28Å; F260-L297 HydrophobicContact CZ-CD1 3.81Å; F260-I307 HydrophobicContact CE2-CD1 4.3Å; F260-I307 HydrophobicContact CZ-CD1 4.37Å; F260-V309 HydrophobicContact CE1-CG1 4.16Å; F260-V309 HydrophobicContact CE1-CG2 4.38Å; F260-V309 HydrophobicContact CZ-CG1 4.46Å; F260-V309 HydrophobicContact CZ-CG2 3.92Å |
| 261 | N | 95.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 171.3 | -88.1 | -17.1 | 0 | 0 | 0 | 112 | K257 D258 I264 H265 S266 M267 A269 V270 | K257-N261 WeakPolarHBondContact CE-ND2 3.47Å; K257-N261 WeakPolarHBondContact O-CB 3.21Å; K257-N261 PolarHBondContact O-N 2.8Å; D258-N261 PolarHBondContact O-N 3.22Å; N261-I264 WeakPolarHBondContact O-CG1 3.3Å; N261-H265 PolarHBondContact O-N 3.15Å; N261-S266 CarbonylContact C-O 3.51Å; N261-S266 WeakPolarHBondContact CA-O 3.49Å; N261-S266 WeakPolarHBondContact CB-O 3.38Å; N261-S266 VanDerWaalsContact CG-O 3.27Å; N261-S266 PolarHBondContact O-N 2.91Å; N261-S266 VanDerWaalsContact O-N 3.08Å; N261-S266 VanDerWaalsContact O-O 3.12Å; N261-S266 PolarHBondContact OD1-O 2.84Å; N261-M267 PolarHBondContact ND2-O 2.98Å; N261-A269 PolarHBondContact OD1-N 2.97Å; N261-V270 WeakPolarHBondContact OD1-CB 3.43Å; N261-V270 WeakPolarHBondContact OD1-CG2 3.48Å; N261-V270 PolarHBondContact OD1-N 3.46Å |
| 262 | Q | 93.8 | Very high | 94 | Very high | 139 Ų | 139 | 65 Ų | 65 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | -178.8 | -174.2 | 179.6 | 24.7 | 0 | 0 | 112.2 | D258 H259 I264 H265 | D258-Q262 WeakPolarHBondContact O-CB 3.34Å; D258-Q262 PolarHBondContact O-N 3.35Å; H259-Q262 PolarHBondContact O-N 3.44Å; Q262-I264 VanDerWaalsContact C-N 3.31Å; Q262-I264 PolarHBondContact O-N 3.28Å; Q262-H265 PolarHBondContact O-N 3.3Å |
| 263 | A | 90.7 | Very high | 94.1 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.3 | -37.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | H259 H265 Q296 L297 | H259-A263 PolarHBondContact O-N 2.79Å; H259-A263 VanDerWaalsContact O-N 3.15Å; A263-H265 VanDerWaalsContact C-N 3.35Å; A263-Q296 PolarHBondContact O-NE2 3.32Å; A263-Q296 PolarHBondContact O-OE1 2.81Å; A263-Q296 VanDerWaalsContact O-OE1 3.14Å; A263-L297 HydrophobicContact CB-CD1 3.8Å; A263-L297 HydrophobicContact CB-CD2 3.82Å; A263-L297 HydrophobicContact CB-CG 3.89Å |
| 264 | I | 92.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4.3 | 177.8 | 63.2 | -178.9 | 0 | 0 | 0 | 113.3 | F260 N261 Q262 S266 A269 F284 D289 T292 A293 | F260-I264 WeakPolarHBondContact O-CG1 3.21Å; N261-I264 WeakPolarHBondContact O-CG1 3.3Å; Q262-I264 VanDerWaalsContact C-N 3.31Å; Q262-I264 PolarHBondContact O-N 3.28Å; I264-S266 VanDerWaalsContact C-N 3.31Å; I264-S266 PolarHBondContact O-N 3.12Å; I264-A269 HydrophobicContact CD1-CB 3.42Å; I264-A269 VanDerWaalsContact CD1-CB 3.42Å; I264-F284 HydrophobicContact CD1-CD1 4.38Å; I264-F284 HydrophobicContact CD1-CE1 3.69Å; I264-D289 HydrophobicContact CD1-CB 4.11Å; I264-T292 HydrophobicContact CG2-CG2 3.95Å; I264-A293 HydrophobicContact CG2-CB 3.76Å |
| 265 | H | 91.2 | Very high | 94.1 | Very high | 171 Ų | 171 | 58.9 Ų | 58.9 | 79% | 0.792 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.8 | -178 | -49.5 | 111.8 | 0 | 0 | 0 | 114.6 | N261 Q262 A263 | N261-H265 PolarHBondContact O-N 3.15Å; Q262-H265 PolarHBondContact O-N 3.3Å; A263-H265 VanDerWaalsContact C-N 3.35Å |
| 266 | S | 88.6 | Confident | 93.9 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | trans | -132.4 | 123.3 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | N261 I264 D268 | N261-S266 CarbonylContact C-O 3.51Å; N261-S266 WeakPolarHBondContact CA-O 3.49Å; N261-S266 WeakPolarHBondContact CB-O 3.38Å; N261-S266 VanDerWaalsContact CG-O 3.27Å; N261-S266 PolarHBondContact O-N 2.91Å; N261-S266 VanDerWaalsContact O-N 3.08Å; N261-S266 VanDerWaalsContact O-O 3.12Å; N261-S266 PolarHBondContact OD1-O 2.84Å; I264-S266 VanDerWaalsContact C-N 3.31Å; I264-S266 PolarHBondContact O-N 3.12Å; S266-D268 VanDerWaalsContact C-N 3.32Å; S266-D268 PolarHBondContact O-N 3.05Å | ||
| 267 | M | 84.4 | Confident | 93.6 | Very high | 184 Ų | 184 | 68.8 Ų | 68.8 | 91% | 0.906 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.2 | -171.7 | -80.5 | -177 | 150 | 0 | 0 | 115.2 | N261 | N261-M267 PolarHBondContact ND2-O 2.98Š|
| 268 | D | 90.6 | Very high | 93.2 | Very high | 93 Ų | 93 | 67.2 Ų | 67.2 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.6 | 36.9 | -178 | -157.3 | 41.8 | 0 | 0 | 0 | 113.7 | K257 S266 H285 | K257-D268 IonicContact NZ-OD1 2.68Å; K257-D268 PolarHBondContact NZ-OD1 3.14Å; S266-D268 VanDerWaalsContact C-N 3.32Å; S266-D268 PolarHBondContact O-N 3.05Å; D268-H285 PolarHBondContact O-CE1 2.65Å; D268-H285 VanDerWaalsContact O-CE1 3.25Å; D268-H285 PolarHBondContact O-ND1 2.87Å; D268-H285 IonicContact OD2-CE1 3.92Å |
| 269 | A | 94.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | trans | -73 | -30 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N261 I264 E271 F284 H285 D289 | N261-A269 PolarHBondContact OD1-N 2.97Å; I264-A269 HydrophobicContact CD1-CB 3.42Å; I264-A269 VanDerWaalsContact CD1-CB 3.42Å; A269-E271 PolarHBondContact O-N 3.41Å; A269-F284 HydrophobicContact CB-CD1 4.23Å; A269-F284 HydrophobicContact CB-CE1 4.46Å; A269-F284 WeakPolarHBondContact O-CA 3.45Å; A269-H285 PolarHBondContact O-N 2.83Å; A269-H285 PolarHBondContact O-ND1 3.35Å; A269-D289 HydrophobicContact CB-CB 4.08Å | ||
| 270 | V | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 103.5 | 172.4 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | K257 F260 N261 R272 V273 V282 H283 F284 | K257-V270 HydrophobicContact CB-CG1 4.28Å; K257-V270 HydrophobicContact CD-CB 4.37Å; K257-V270 HydrophobicContact CD-CG1 4.12Å; K257-V270 VanDerWaalsContact CE-O 3.24Å; K257-V270 WeakPolarHBondContact CE-O 3.47Å; K257-V270 HydrophobicContact CG-CB 4.08Å; K257-V270 HydrophobicContact CG-CG1 3.94Å; K257-V270 PolarHBondContact NZ-O 2.98Å; F260-V270 HydrophobicContact CB-CG2 3.88Å; N261-V270 WeakPolarHBondContact OD1-CB 3.43Å; N261-V270 WeakPolarHBondContact OD1-CG2 3.48Å; N261-V270 PolarHBondContact OD1-N 3.46Å; V270-R272 PolarHBondContact O-N 2.9Å; V270-V273 HydrophobicContact CG1-CG2 3.94Å; V270-V282 HydrophobicContact CB-CG1 4.38Å; V270-V282 HydrophobicContact CG1-CG1 3.7Å; V270-V282 HydrophobicContact CG2-CG1 3.76Å; V270-H283 CarbonylContact C-O 3.5Å; V270-H283 WeakPolarHBondContact CA-O 3.3Å; V270-F284 HydrophobicContact CG2-CD1 4.12Å; V270-F284 HydrophobicContact CG2-CE1 3.55Å; V270-F284 HydrophobicContact CG2-CE2 4.49Å; V270-F284 HydrophobicContact CG2-CZ 3.77Å |
| 271 | E | 95.4 | Very high | 93.4 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | -52.6 | 170.7 | -179.6 | -160.2 | 115 | 0 | 0 | 110.8 | R240 A269 H283 | R240-E271 IonicContact CZ-OE2 3.16Å; R240-E271 IonicContact NH1-OE2 2.67Å; R240-E271 PolarHBondContact NH1-OE2 3.3Å; R240-E271 IonicContact NH2-OE2 2.75Å; R240-E271 PolarHBondContact NH2-OE2 3.44Å; A269-E271 PolarHBondContact O-N 3.41Å; E271-H283 HydrophobicContact CB-CB 4.08Å; E271-H283 PolarHBondContact N-O 2.97Å; E271-H283 IonicContact OE1-ND1 2.81Å; E271-H283 PolarHBondContact OE1-ND1 2.94Å |
| 272 | R | 95.9 | Very high | 93.5 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 145.3 | -166.6 | -150.3 | -173.4 | 61.3 | 62.1 | 21.8 | 112 | V270 H283 | V270-R272 PolarHBondContact O-N 2.9Å; R272-H283 HydrophobicContact CB-CB 4.19Å; R272-H283 PolarHBondContact N-O 3.15Å; R272-H283 PolarHBondContact NH2-CD2 3.47Å; R272-H283 PolarHBondContact NH2-CE1 2.77Å; R272-H283 PolarHBondContact NH2-NE2 3.16Å; R272-H283 WeakPolarHBondContact O-CB 3.37Å; R272-H283 PolarHBondContact O-N 2.89Å |
| 273 | V | 97.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 152.7 | 168 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | E253 V256 K257 V270 A280 F281 V282 | E253-V273 HydrophobicContact CB-CB 4.28Å; E253-V273 HydrophobicContact CB-CG1 4.12Å; E253-V273 HydrophobicContact CG-CG1 4.23Å; V256-V273 HydrophobicContact CB-CG1 4.15Å; V256-V273 HydrophobicContact CB-CG2 4.45Å; V256-V273 HydrophobicContact CG1-CG1 3.96Å; V256-V273 HydrophobicContact CG1-CG2 4.11Å; K257-V273 HydrophobicContact CB-CG2 3.83Å; V270-V273 HydrophobicContact CG1-CG2 3.94Å; V273-A280 HydrophobicContact CG1-CB 4.13Å; V273-F281 CarbonylContact C-O 3.44Å; V273-F281 WeakPolarHBondContact CA-O 3.47Å; V273-V282 HydrophobicContact CG2-CG1 4.49Å; V273-V282 HydrophobicContact CG2-CG2 4.42Å |
| 274 | K | 97 | Very high | 93.9 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 45% | 0.452 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 103.8 | 162 | -172.8 | 175.4 | -175.6 | 179.2 | 0 | 109.9 | E253 A280 F281 | E253-K274 VanDerWaalsContact OE1-CA 3.24Å; E253-K274 WeakPolarHBondContact OE1-CA 3.41Å; K274-A280 CarbonylContact O-C 3.58Å; K274-A280 WeakPolarHBondContact O-CA 3.37Å; K274-F281 PolarHBondContact N-O 3.28Å; K274-F281 PolarHBondContact O-N 2.95Å |
| 275 | K | 95.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 63 Ų | 63 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.4 | 175.7 | -170.9 | 172.2 | -173.2 | -112.7 | 0 | 110.7 | L247 M248 L249 T251 E253 R277 Y279 A280 | L247-K275 HydrophobicContact CD1-CD 4.17Å; L247-K275 HydrophobicContact CD1-CG 4.29Å; M248-K275 WeakPolarHBondContact O-CE 3.39Å; M248-K275 PolarHBondContact O-NZ 3.4Å; L249-K275 PolarHBondContact O-NZ 2.74Å; T251-K275 WeakPolarHBondContact O-CD 3.36Å; T251-K275 WeakPolarHBondContact O-CE 3.25Å; T251-K275 PolarHBondContact O-NZ 3.33Å; E253-K275 HydrophobicContact CG-CB 3.64Å; E253-K275 PolarHBondContact OE1-N 3.05Å; K275-R277 WeakPolarHBondContact CE-O 3.45Å; K275-R277 PolarHBondContact NZ-O 2.86Å; K275-Y279 WeakPolarHBondContact CA-O 3.44Å; K275-Y279 WeakPolarHBondContact CG-O 3.35Å; K275-A280 HydrophobicContact CB-CB 4.11Å; K275-A280 HydrophobicContact CG-CB 4.33Å |
| 276 | I | 92.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 109.1 | 172.4 | -54 | 177.8 | 0 | 0 | 0 | 106.3 | D278 Y279 | I276-D278 PolarHBondContact O-N 3.08Å; I276-Y279 CarbonylContact C-O 3.5Å; I276-Y279 HydrophobicContact CB-CD2 4.37Å; I276-Y279 HydrophobicContact CB-CE1 4.26Å; I276-Y279 HydrophobicContact CB-CE2 3.78Å; I276-Y279 HydrophobicContact CD1-CE2 4.14Å; I276-Y279 HydrophobicContact CG1-CE2 4.34Å; I276-Y279 HydrophobicContact CG2-CE1 4.26Å; I276-Y279 HydrophobicContact CG2-CE2 4.38Å; I276-Y279 PolarHBondContact N-O 2.83Å; I276-Y279 WeakPolarHBondContact O-CD1 3.34Å; I276-Y279 WeakPolarHBondContact O-CE1 3.37Å; I276-Y279 PolarHBondContact O-N 3.09Å; I276-Y279 VanDerWaalsContact O-N 3.12Å; I276-Y279 VanDerWaalsContact O-O 3.11Å |
| 277 | R | 89.5 | Confident | 94.5 | Very high | 182 Ų | 182 | 61.2 Ų | 61.2 | 69% | 0.687 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -105.7 | -177 | -58.3 | 175.3 | -179.3 | 160.6 | -0.2 | 112.6 | K275 | K275-R277 WeakPolarHBondContact CE-O 3.45Å; K275-R277 PolarHBondContact NZ-O 2.86Å |
| 278 | D | 89.9 | Confident | 95 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 4.4 | -173.2 | 59.2 | -50.9 | 0 | 0 | 0 | 114.3 | L181 R188 N246 L247 I276 | L181-D278 HydrophobicContact CD2-CB 3.55Å; L181-D278 WeakPolarHBondContact CD2-OD1 3.21Å; L181-D278 WeakPolarHBondContact CD2-OD2 3.31Å; R188-D278 IonicContact CZ-OD2 3.46Å; R188-D278 IonicContact NH1-OD2 3.8Å; R188-D278 PolarHBondContact NH1-OD2 3.44Å; R188-D278 IonicContact NH2-OD2 3.71Å; R188-D278 PolarHBondContact NH2-OD2 2.9Å; N246-D278 PolarHBondContact N-O 2.61Å; L247-D278 PolarHBondContact N-O 3.25Å; I276-D278 PolarHBondContact O-N 3.08Å |
| 279 | Y | 94.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 160.9 | 177.5 | 63.1 | -88.8 | 0 | 0 | 0 | 112.4 | Y243 V244 K275 I276 F281 | Y243-Y279 HydrophobicContact CD2-CD2 4.38Å; Y243-Y279 AromaticContact CE2-CD2 3.57Å; Y243-Y279 HydrophobicContact CE2-CD2 3.57Å; Y243-Y279 HydrophobicContact CE2-CE2 4.33Å; Y243-Y279 AromaticContact CE2-CG 3.91Å; Y243-Y279 HydrophobicContact CE2-CG 3.91Å; V244-Y279 CarbonylContact O-C 3.56Å; V244-Y279 WeakPolarHBondContact O-CA 3.17Å; V244-Y279 VanDerWaalsContact O-CB 3.27Å; V244-Y279 WeakPolarHBondContact O-CB 3.35Å; K275-Y279 WeakPolarHBondContact CA-O 3.44Å; K275-Y279 WeakPolarHBondContact CG-O 3.35Å; I276-Y279 CarbonylContact C-O 3.5Å; I276-Y279 HydrophobicContact CB-CD2 4.37Å; I276-Y279 HydrophobicContact CB-CE1 4.26Å; I276-Y279 HydrophobicContact CB-CE2 3.78Å; I276-Y279 HydrophobicContact CD1-CE2 4.14Å; I276-Y279 HydrophobicContact CG1-CE2 4.34Å; I276-Y279 HydrophobicContact CG2-CE1 4.26Å; I276-Y279 HydrophobicContact CG2-CE2 4.38Å; I276-Y279 PolarHBondContact N-O 2.83Å; I276-Y279 WeakPolarHBondContact O-CD1 3.34Å; I276-Y279 WeakPolarHBondContact O-CE1 3.37Å; I276-Y279 PolarHBondContact O-N 3.09Å; I276-Y279 VanDerWaalsContact O-N 3.12Å; I276-Y279 VanDerWaalsContact O-O 3.11Å; Y279-F281 HydrophobicContact CD2-CE2 4.21Å; Y279-F281 AromaticContact CE2-CE2 3.98Å; Y279-F281 HydrophobicContact CE2-CE2 3.98Å |
| 280 | A | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 154.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V244 L247 V273 K274 K275 | V244-A280 PolarHBondContact N-O 2.93Å; V244-A280 PolarHBondContact O-N 2.99Å; L247-A280 HydrophobicContact CD1-CB 3.63Å; V273-A280 HydrophobicContact CG1-CB 4.13Å; K274-A280 CarbonylContact O-C 3.58Å; K274-A280 WeakPolarHBondContact O-CA 3.37Å; K275-A280 HydrophobicContact CB-CB 4.11Å; K275-A280 HydrophobicContact CG-CB 4.33Å |
| 281 | F | 97.5 | Very high | 95.2 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.8 | 167.5 | -64.1 | -84.9 | 0 | 0 | 0 | 109.6 | I241 L242 Y243 V273 K274 Y279 A312 | I241-F281 HydrophobicContact CG2-CB 4.1Å; I241-F281 HydrophobicContact CG2-CD1 4.28Å; L242-F281 CarbonylContact O-C 3.59Å; L242-F281 WeakPolarHBondContact O-CA 3.41Å; Y243-F281 HydrophobicContact CD2-CD1 4.18Å; Y243-F281 AromaticContact CD2-CE1 3.63Å; Y243-F281 HydrophobicContact CD2-CE1 3.63Å; Y243-F281 HydrophobicContact CD2-CE2 4.48Å; Y243-F281 AromaticContact CD2-CZ 3.81Å; Y243-F281 HydrophobicContact CD2-CZ 3.81Å; Y243-F281 HydrophobicContact CE2-CE1 4.49Å; Y243-F281 HydrophobicContact CE2-CZ 4.23Å; Y243-F281 HydrophobicContact CG-CE1 4.41Å; V273-F281 CarbonylContact C-O 3.44Å; V273-F281 WeakPolarHBondContact CA-O 3.47Å; K274-F281 PolarHBondContact N-O 3.28Å; K274-F281 PolarHBondContact O-N 2.95Å; Y279-F281 HydrophobicContact CD2-CE2 4.21Å; Y279-F281 AromaticContact CE2-CE2 3.98Å; Y279-F281 HydrophobicContact CE2-CE2 3.98Å; F281-A312 HydrophobicContact CD1-CB 3.83Å; F281-A312 HydrophobicContact CE1-CB 4Å |
| 282 | V | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 109.8 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | I241 L242 V244 V256 F260 V270 V273 F284 | I241-V282 CarbonylContact C-O 3.47Å; I241-V282 WeakPolarHBondContact CA-O 3.13Å; L242-V282 PolarHBondContact N-O 2.87Å; L242-V282 PolarHBondContact O-N 2.8Å; V244-V282 HydrophobicContact CG2-CG2 3.76Å; V256-V282 HydrophobicContact CG1-CG2 3.76Å; F260-V282 HydrophobicContact CB-CG1 4.35Å; F260-V282 HydrophobicContact CD1-CB 4.44Å; F260-V282 HydrophobicContact CD1-CG1 4.05Å; F260-V282 HydrophobicContact CD1-CG2 4.22Å; F260-V282 HydrophobicContact CE1-CG2 4.29Å; F260-V282 HydrophobicContact CG-CG1 4.29Å; F260-V282 HydrophobicContact CG-CG2 4.42Å; V270-V282 HydrophobicContact CB-CG1 4.38Å; V270-V282 HydrophobicContact CG1-CG1 3.7Å; V270-V282 HydrophobicContact CG2-CG1 3.76Å; V273-V282 HydrophobicContact CG2-CG1 4.49Å; V273-V282 HydrophobicContact CG2-CG2 4.42Å; V282-F284 HydrophobicContact CB-CE2 4.21Å; V282-F284 HydrophobicContact CG1-CD2 4.15Å; V282-F284 HydrophobicContact CG1-CE2 3.54Å; V282-F284 HydrophobicContact CG1-CZ 3.95Å |
| 283 | H | 97.2 | Very high | 95.3 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.1 | 176.4 | -69 | -142.4 | 0 | 0 | 0 | 109.3 | V270 E271 R272 | V270-H283 CarbonylContact C-O 3.5Å; V270-H283 WeakPolarHBondContact CA-O 3.3Å; E271-H283 HydrophobicContact CB-CB 4.08Å; E271-H283 PolarHBondContact N-O 2.97Å; E271-H283 IonicContact OE1-ND1 2.81Å; E271-H283 PolarHBondContact OE1-ND1 2.94Å; R272-H283 HydrophobicContact CB-CB 4.19Å; R272-H283 PolarHBondContact N-O 3.15Å; R272-H283 PolarHBondContact NH2-CD2 3.47Å; R272-H283 PolarHBondContact NH2-CE1 2.77Å; R272-H283 PolarHBondContact NH2-NE2 3.16Å; R272-H283 WeakPolarHBondContact O-CB 3.37Å; R272-H283 PolarHBondContact O-N 2.89Å |
| 284 | F | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.2 | 172.5 | -75.8 | -89.6 | 0 | 0 | 0 | 111.5 | R240 L242 F260 I264 A269 V270 V282 N286 D289 A290 A293 | R240-F284 WeakPolarHBondContact CD-O 3.41Å; R240-F284 PolarHBondContact NH1-O 2.93Å; R240-F284 PolarHBondContact O-N 2.92Å; L242-F284 HydrophobicContact CD1-CD2 4.43Å; L242-F284 HydrophobicContact CD1-CE2 3.67Å; L242-F284 HydrophobicContact CD1-CZ 4.42Å; L242-F284 HydrophobicContact CG-CD2 4.31Å; L242-F284 HydrophobicContact CG-CE2 3.96Å; F260-F284 HydrophobicContact CB-CZ 4.37Å; F260-F284 HydrophobicContact CD1-CE2 4.32Å; F260-F284 HydrophobicContact CD1-CZ 4Å; I264-F284 HydrophobicContact CD1-CD1 4.38Å; I264-F284 HydrophobicContact CD1-CE1 3.69Å; A269-F284 HydrophobicContact CB-CD1 4.23Å; A269-F284 HydrophobicContact CB-CE1 4.46Å; A269-F284 WeakPolarHBondContact O-CA 3.45Å; V270-F284 HydrophobicContact CG2-CD1 4.12Å; V270-F284 HydrophobicContact CG2-CE1 3.55Å; V270-F284 HydrophobicContact CG2-CE2 4.49Å; V270-F284 HydrophobicContact CG2-CZ 3.77Å; V282-F284 HydrophobicContact CB-CE2 4.21Å; V282-F284 HydrophobicContact CG1-CD2 4.15Å; V282-F284 HydrophobicContact CG1-CE2 3.54Å; V282-F284 HydrophobicContact CG1-CZ 3.95Å; F284-N286 WeakPolarHBondContact CB-O 3.48Å; F284-D289 HydrophobicContact CD1-CB 3.68Å; F284-D289 HydrophobicContact CE1-CB 4.26Å; F284-D289 HydrophobicContact CG-CB 4.43Å; F284-A290 HydrophobicContact CB-CB 4Å; F284-A290 HydrophobicContact CD2-CB 3.58Å; F284-A290 HydrophobicContact CE2-CB 4.23Å; F284-A290 HydrophobicContact CG-CB 3.82Å; F284-A293 HydrophobicContact CE1-CB 4.15Å; F284-A293 HydrophobicContact CE2-CB 4.19Å; F284-A293 HydrophobicContact CZ-CB 3.51Å |
| 285 | H | 95.4 | Very high | 95.2 | Very high | 87 Ų | 87 | 55.4 Ų | 55.4 | 40% | 0.403 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -58.5 | -50.9 | 170.4 | -68.8 | 124.5 | 0 | 0 | 0 | 111 | D268 A269 | D268-H285 PolarHBondContact O-CE1 2.65Å; D268-H285 VanDerWaalsContact O-CE1 3.25Å; D268-H285 PolarHBondContact O-ND1 2.87Å; D268-H285 IonicContact OD2-CE1 3.92Å; A269-H285 PolarHBondContact O-N 2.83Å; A269-H285 PolarHBondContact O-ND1 3.35Å |
| 286 | N | 94.5 | Very high | 95.2 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -110.3 | 148 | 178.7 | -46.6 | -73.6 | 0 | 0 | 0 | 112.6 | F284 I288 D289 A290 | F284-N286 WeakPolarHBondContact CB-O 3.48Å; N286-I288 VanDerWaalsContact C-N 3.28Å; N286-I288 PolarHBondContact O-N 2.8Å; N286-D289 VanDerWaalsContact CB-OD2 3.31Å; N286-D289 WeakPolarHBondContact CB-OD2 3.46Å; N286-D289 PolarHBondContact ND2-OD2 3.47Å; N286-D289 PolarHBondContact O-N 2.94Å; N286-A290 PolarHBondContact O-N 3.32Å |
| 287 | R | 94.5 | Very high | 95.4 | Very high | 90 Ų | 90 | 55 Ų | 55 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.6 | -27.2 | 172.8 | -175.1 | 169 | -176.1 | -102.1 | -3.2 | 113.1 | S237 V239 A290 I291 W311 | S237-R287 WeakPolarHBondContact O-CD 3.04Å; S237-R287 PolarHBondContact O-NE 2.96Å; S237-R287 PolarHBondContact O-NH1 2.86Å; V239-R287 WeakPolarHBondContact O-CD 3.48Å; V239-R287 WeakPolarHBondContact O-CG 3.46Å; V239-R287 PolarHBondContact O-NE 3.13Å; R287-A290 PolarHBondContact O-N 3.13Å; R287-I291 HydrophobicContact CG-CD1 4.12Å; R287-I291 HydrophobicContact CG-CG1 4.41Å; R287-I291 VanDerWaalsContact O-CG1 3.29Å; R287-I291 WeakPolarHBondContact O-CG1 3.46Å; R287-I291 PolarHBondContact O-N 2.83Å; R287-W311 HydrophobicContact CG-CH2 4Å; R287-W311 HydrophobicContact CG-CZ3 4.48Å |
| 288 | I | 94.4 | Very high | 95.7 | Very high | 123 Ų | 123 | 50.4 Ų | 50.4 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.8 | -46.7 | 177.9 | -60.5 | 177.2 | 0 | 0 | 0 | 110 | N286 A290 I291 T292 | N286-I288 VanDerWaalsContact C-N 3.28Å; N286-I288 PolarHBondContact O-N 2.8Å; I288-A290 VanDerWaalsContact C-N 3.31Å; I288-A290 PolarHBondContact O-N 3.21Å; I288-I291 WeakPolarHBondContact O-CB 3.41Å; I288-I291 PolarHBondContact O-N 3.32Å; I288-I291 VanDerWaalsContact O-N 3.08Å; I288-T292 PolarHBondContact O-N 3.13Å; I288-T292 PolarHBondContact O-OG1 3.02Å; I288-T292 VanDerWaalsContact O-OG1 3.08Å |
| 289 | D | 95.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.8 | -49.9 | -24.4 | 0 | 0 | 0 | 111 | I264 A269 F284 N286 I291 T292 A293 | I264-D289 HydrophobicContact CD1-CB 4.11Å; A269-D289 HydrophobicContact CB-CB 4.08Å; F284-D289 HydrophobicContact CD1-CB 3.68Å; F284-D289 HydrophobicContact CE1-CB 4.26Å; F284-D289 HydrophobicContact CG-CB 4.43Å; N286-D289 VanDerWaalsContact CB-OD2 3.31Å; N286-D289 WeakPolarHBondContact CB-OD2 3.46Å; N286-D289 PolarHBondContact ND2-OD2 3.47Å; N286-D289 PolarHBondContact O-N 2.94Å; D289-I291 PolarHBondContact O-N 3.36Å; D289-T292 PolarHBondContact O-N 3.46Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.03Å |
| 290 | A | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L242 F284 N286 R287 I288 T292 L294 W311 | L242-A290 HydrophobicContact CD2-CB 4.22Å; L242-A290 HydrophobicContact CG-CB 4.26Å; F284-A290 HydrophobicContact CB-CB 4Å; F284-A290 HydrophobicContact CD2-CB 3.58Å; F284-A290 HydrophobicContact CE2-CB 4.23Å; F284-A290 HydrophobicContact CG-CB 3.82Å; N286-A290 PolarHBondContact O-N 3.32Å; R287-A290 PolarHBondContact O-N 3.13Å; I288-A290 VanDerWaalsContact C-N 3.31Å; I288-A290 PolarHBondContact O-N 3.21Å; A290-T292 VanDerWaalsContact C-N 3.31Å; A290-T292 PolarHBondContact O-N 3.44Å; A290-L294 WeakPolarHBondContact O-CB 3.27Å; A290-L294 PolarHBondContact O-N 3.5Å; A290-W311 HydrophobicContact CB-CH2 3.67Å; A290-W311 HydrophobicContact CB-CZ3 3.73Å |
| 291 | I | 95.6 | Very high | 95.7 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 174.1 | -70.1 | 159.7 | 0 | 0 | 0 | 111 | R287 I288 D289 K295 W311 | R287-I291 HydrophobicContact CG-CD1 4.12Å; R287-I291 HydrophobicContact CG-CG1 4.41Å; R287-I291 VanDerWaalsContact O-CG1 3.29Å; R287-I291 WeakPolarHBondContact O-CG1 3.46Å; R287-I291 PolarHBondContact O-N 2.83Å; I288-I291 WeakPolarHBondContact O-CB 3.41Å; I288-I291 PolarHBondContact O-N 3.32Å; I288-I291 VanDerWaalsContact O-N 3.08Å; D289-I291 PolarHBondContact O-N 3.36Å; I291-K295 HydrophobicContact CG2-CD 4.15Å; I291-K295 VanDerWaalsContact O-CG 3.32Å; I291-K295 WeakPolarHBondContact O-CG 3.46Å; I291-K295 PolarHBondContact O-N 2.99Å; I291-W311 HydrophobicContact CG1-CH2 3.87Å; I291-W311 HydrophobicContact CG1-CZ2 3.64Å |
| 292 | T | 96.1 | Very high | 95.5 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 36% | 0.362 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.7 | -49.7 | -179.4 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | I264 I288 D289 A290 L294 K295 Q296 | I264-T292 HydrophobicContact CG2-CG2 3.95Å; I288-T292 PolarHBondContact O-N 3.13Å; I288-T292 PolarHBondContact O-OG1 3.02Å; I288-T292 VanDerWaalsContact O-OG1 3.08Å; D289-T292 PolarHBondContact O-N 3.46Å; A290-T292 VanDerWaalsContact C-N 3.31Å; A290-T292 PolarHBondContact O-N 3.44Å; T292-L294 PolarHBondContact O-N 3.06Å; T292-K295 PolarHBondContact O-N 3.17Å; T292-K295 VanDerWaalsContact O-N 3.13Å; T292-Q296 PolarHBondContact O-N 3.5Å; T292-Q296 VanDerWaalsContact O-N 3.15Å |
| 293 | A | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L242 F260 I264 F284 D289 K295 Q296 L297 | L242-A293 HydrophobicContact CD1-CB 4.09Å; F260-A293 HydrophobicContact CD1-CB 4.27Å; I264-A293 HydrophobicContact CG2-CB 3.76Å; F284-A293 HydrophobicContact CE1-CB 4.15Å; F284-A293 HydrophobicContact CE2-CB 4.19Å; F284-A293 HydrophobicContact CZ-CB 3.51Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.03Å; A293-K295 VanDerWaalsContact C-N 3.29Å; A293-K295 PolarHBondContact O-N 2.93Å; A293-Q296 PolarHBondContact O-N 3.04Å; A293-Q296 VanDerWaalsContact O-N 3.13Å; A293-L297 WeakPolarHBondContact O-CB 3.47Å; A293-L297 PolarHBondContact O-N 2.99Å |
| 294 | L | 96.5 | Very high | 94.6 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.1 | -45.2 | 175 | 176.9 | 66.8 | 0 | 0 | 0 | 112.1 | L242 A290 T292 Q296 D298 V309 W311 | L242-L294 HydrophobicContact CD1-CB 4.12Å; L242-L294 HydrophobicContact CD2-CB 4.16Å; L242-L294 HydrophobicContact CD2-CD1 4.38Å; A290-L294 WeakPolarHBondContact O-CB 3.27Å; A290-L294 PolarHBondContact O-N 3.5Å; T292-L294 PolarHBondContact O-N 3.06Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 3.5Å; L294-D298 VanDerWaalsContact O-CB 3.31Å; L294-D298 WeakPolarHBondContact O-CB 3.25Å; L294-D298 PolarHBondContact O-N 3.19Å; L294-V309 HydrophobicContact CD1-CB 4.19Å; L294-V309 HydrophobicContact CD1-CG1 3.85Å; L294-V309 WeakPolarHBondContact CD1-O 3.38Å; L294-W311 HydrophobicContact CD2-CD2 4.46Å; L294-W311 HydrophobicContact CD2-CZ2 3.94Å; L294-W311 VanDerWaalsContact CD2-NE1 3.33Å |
| 295 | K | 96.2 | Very high | 94.1 | Very high | 147 Ų | 147 | 59.9 Ų | 59.9 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -75.6 | -15.2 | -178.3 | -73.9 | 171.8 | -179.6 | 170.2 | 0 | 114.7 | I291 T292 A293 | I291-K295 HydrophobicContact CG2-CD 4.15Å; I291-K295 VanDerWaalsContact O-CG 3.32Å; I291-K295 WeakPolarHBondContact O-CG 3.46Å; I291-K295 PolarHBondContact O-N 2.99Å; T292-K295 PolarHBondContact O-N 3.17Å; T292-K295 VanDerWaalsContact O-N 3.13Å; A293-K295 VanDerWaalsContact C-N 3.29Å; A293-K295 PolarHBondContact O-N 2.93Å |
| 296 | Q | 95.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -104.4 | -25.9 | -179.7 | -71.2 | 177 | -65 | 0 | 0 | 113.3 | A263 T292 A293 L294 T300 | A263-Q296 PolarHBondContact O-NE2 3.32Å; A263-Q296 PolarHBondContact O-OE1 2.81Å; A263-Q296 VanDerWaalsContact O-OE1 3.14Å; T292-Q296 PolarHBondContact O-N 3.5Å; T292-Q296 VanDerWaalsContact O-N 3.15Å; A293-Q296 PolarHBondContact O-N 3.04Å; A293-Q296 VanDerWaalsContact O-N 3.13Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 3.5Å; Q296-T300 WeakPolarHBondContact O-CG2 3.5Å |
| 297 | L | 96.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -114.5 | -10.7 | -170.3 | -65.4 | 174.9 | 0 | 0 | 0 | 114.5 | F260 A263 A293 G299 T300 V309 | F260-L297 HydrophobicContact CB-CD1 4.26Å; F260-L297 HydrophobicContact CD1-CD1 3.57Å; F260-L297 HydrophobicContact CD2-CD1 3.77Å; F260-L297 HydrophobicContact CE1-CB 4.42Å; F260-L297 HydrophobicContact CE1-CD1 3.67Å; F260-L297 HydrophobicContact CE2-CD1 3.87Å; F260-L297 HydrophobicContact CG-CD1 3.61Å; F260-L297 HydrophobicContact CZ-CB 4.28Å; F260-L297 HydrophobicContact CZ-CD1 3.81Å; A263-L297 HydrophobicContact CB-CD1 3.8Å; A263-L297 HydrophobicContact CB-CD2 3.82Å; A263-L297 HydrophobicContact CB-CG 3.89Å; A293-L297 WeakPolarHBondContact O-CB 3.47Å; A293-L297 PolarHBondContact O-N 2.99Å; L297-G299 PolarHBondContact O-N 3.3Å; L297-T300 PolarHBondContact O-N 2.87Å; L297-T300 PolarHBondContact O-OG1 3.06Å; L297-T300 VanDerWaalsContact O-OG1 3.11Å; L297-V309 HydrophobicContact CB-CG2 4.19Å; L297-V309 WeakPolarHBondContact O-CG2 3.34Å |
| 298 | D | 96.2 | Very high | 93.8 | Very high | 85 Ų | 85 | 56 Ų | 56 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 128.1 | 170.7 | -169.4 | 30.8 | 0 | 0 | 0 | 110.7 | L294 T300 E308 V309 | L294-D298 VanDerWaalsContact O-CB 3.31Å; L294-D298 WeakPolarHBondContact O-CB 3.25Å; L294-D298 PolarHBondContact O-N 3.19Å; D298-T300 VanDerWaalsContact C-N 3.32Å; D298-T300 PolarHBondContact O-N 3.32Å; D298-E308 WeakPolarHBondContact OD1-CA 3.34Å; D298-V309 HydrophobicContact CB-CB 4.07Å; D298-V309 PolarHBondContact OD1-N 2.88Å |
| 299 | G | 92.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L297 Q306 I307 | L297-G299 PolarHBondContact O-N 3.3Å; G299-Q306 VanDerWaalsContact O-CG 3.32Å; G299-Q306 WeakPolarHBondContact O-CG 3.36Å; G299-Q306 PolarHBondContact O-NE2 3.09Å; G299-I307 WeakPolarHBondContact CA-O 3.26Å; G299-I307 PolarHBondContact N-O 3.01Å |
| 300 | T | 95.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 51 Ų | 51 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | trans | -80 | 164.7 | 178.6 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | Q296 L297 D298 Q306 I307 | Q296-T300 WeakPolarHBondContact O-CG2 3.5Å; L297-T300 PolarHBondContact O-N 2.87Å; L297-T300 PolarHBondContact O-OG1 3.06Å; L297-T300 VanDerWaalsContact O-OG1 3.11Å; D298-T300 VanDerWaalsContact C-N 3.32Å; D298-T300 PolarHBondContact O-N 3.32Å; T300-Q306 CarbonylContact O-C 3.53Å; T300-Q306 VanDerWaalsContact O-CA 3.29Å; T300-Q306 WeakPolarHBondContact O-CA 3.41Å; T300-I307 WeakPolarHBondContact O-CG1 3.4Å; T300-I307 PolarHBondContact O-N 3.44Å | ||
| 301 | I | 93.2 | Very high | 93.9 | Very high | 130 Ų | 130 | 53.5 Ų | 53.5 | 67% | 0.667 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.4 | 173.6 | -58.8 | 175.6 | 0 | 0 | 0 | 109.3 | A305 | I301-A305 WeakPolarHBondContact CA-O 3.42Å |
| 302 | F | 92.5 | Very high | 93.8 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.7 | 175.1 | 177.8 | -125.8 | 0 | 0 | 0 | 109.3 | L247 T251 A255 V256 H259 G304 A305 I307 | L247-F302 HydrophobicContact CD2-CD1 3.92Å; L247-F302 HydrophobicContact CD2-CE1 4.14Å; T251-F302 HydrophobicContact CG2-CD1 4.3Å; T251-F302 HydrophobicContact CG2-CE1 3.44Å; T251-F302 VanDerWaalsContact CG2-CE1 3.44Å; T251-F302 HydrophobicContact CG2-CZ 3.91Å; A255-F302 HydrophobicContact CB-CZ 4.16Å; A255-F302 WeakPolarHBondContact O-CZ 3.46Å; V256-F302 HydrophobicContact CG2-CE1 3.99Å; H259-F302 HydrophobicContact CB-CD2 4.25Å; H259-F302 HydrophobicContact CB-CE2 3.68Å; H259-F302 HydrophobicContact CB-CZ 3.95Å; H259-F302 AromaticContact CD2-CD2 3.45Å; H259-F302 VanDerWaalsContact CD2-CD2 3.45Å; H259-F302 WeakPolarHBondContact CD2-CD2 3.45Å; H259-F302 AromaticContact CD2-CE2 3.79Å; H259-F302 AromaticContact CD2-CG 3.7Å; H259-F302 AromaticContact CE1-CD2 3.97Å; H259-F302 AromaticContact CG-CD2 3.66Å; H259-F302 AromaticContact CG-CE2 3.61Å; H259-F302 AromaticContact ND1-CD2 3.98Å; H259-F302 AromaticContact NE2-CD2 3.67Å; H259-F302 AromaticContact NE2-CG 3.92Å; F302-G304 PolarHBondContact O-N 2.91Å; F302-A305 PolarHBondContact N-O 3.35Å; F302-A305 PolarHBondContact O-N 3.49Å; F302-I307 HydrophobicContact CB-CD1 4.07Å; F302-I307 HydrophobicContact CB-CG1 4.23Å; F302-I307 HydrophobicContact CB-CG2 4Å; F302-I307 HydrophobicContact CD1-CG2 4.36Å |
| 303 | D | 89 | Confident | 93.5 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 39.4 | 179.7 | -158.7 | 6 | 0 | 0 | 0 | 112.9 | M248 H250 T251 A305 | M248-D303 HydrophobicContact CG-CB 4.23Å; M248-D303 WeakPolarHBondContact CG-O 3.43Å; H250-D303 IonicContact CD2-OD1 3.44Å; H250-D303 IonicContact CD2-OD2 3.49Å; H250-D303 PolarHBondContact CD2-OD2 3.46Å; H250-D303 IonicContact CE1-OD1 2.86Å; H250-D303 IonicContact CE1-OD2 3.33Å; H250-D303 IonicContact NE2-OD1 3.57Å; H250-D303 PolarHBondContact NE2-OD1 3.1Å; H250-D303 IonicContact NE2-OD2 2.61Å; H250-D303 PolarHBondContact NE2-OD2 2.91Å; T251-D303 WeakPolarHBondContact CA-OD2 3.39Å; T251-D303 VanDerWaalsContact CB-OD2 3.3Å; T251-D303 WeakPolarHBondContact CB-OD2 3.44Å; T251-D303 PolarHBondContact OG1-OD2 3.26Å; D303-A305 PolarHBondContact O-N 2.91Å |
| 304 | G | 86.7 | Confident | 92.9 | Very high | 77 Ų | 77 | 56 Ų | 56 | 79% | 0.794 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 0.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F302 | F302-G304 PolarHBondContact O-N 2.91Š|
| 305 | A | 87.1 | Confident | 91.9 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K184 N246 M248 I301 F302 D303 I307 | K184-A305 HydrophobicContact CD-CB 4.02Å; N246-A305 WeakPolarHBondContact O-CB 3.31Å; M248-A305 HydrophobicContact CE-CB 4.47Å; M248-A305 HydrophobicContact CG-CB 4.42Å; I301-A305 WeakPolarHBondContact CA-O 3.42Å; F302-A305 PolarHBondContact N-O 3.35Å; F302-A305 PolarHBondContact O-N 3.49Å; D303-A305 PolarHBondContact O-N 2.91Å; A305-I307 PolarHBondContact O-N 3.3Å |
| 306 | Q | 91.3 | Very high | 90.4 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111.4 | 170.7 | -165.8 | 176.2 | 16.3 | 0 | 0 | 109.6 | N246 G299 T300 | N246-Q306 PolarHBondContact ND2-O 2.92Å; G299-Q306 VanDerWaalsContact O-CG 3.32Å; G299-Q306 WeakPolarHBondContact O-CG 3.36Å; G299-Q306 PolarHBondContact O-NE2 3.09Å; T300-Q306 CarbonylContact O-C 3.53Å; T300-Q306 VanDerWaalsContact O-CA 3.29Å; T300-Q306 WeakPolarHBondContact O-CA 3.41Å |
| 307 | I | 93.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | trans | -84.1 | 152.9 | 177.6 | 58.6 | 164.7 | 0 | 0 | 0 | 110.7 | V244 L247 F260 G299 T300 F302 A305 V309 | V244-I307 HydrophobicContact CG1-CB 4.33Å; V244-I307 HydrophobicContact CG1-CD1 4.38Å; L247-I307 HydrophobicContact CD2-CG2 3.84Å; F260-I307 HydrophobicContact CE2-CD1 4.3Å; F260-I307 HydrophobicContact CZ-CD1 4.37Å; G299-I307 WeakPolarHBondContact CA-O 3.26Å; G299-I307 PolarHBondContact N-O 3.01Å; T300-I307 WeakPolarHBondContact O-CG1 3.4Å; T300-I307 PolarHBondContact O-N 3.44Å; F302-I307 HydrophobicContact CB-CD1 4.07Å; F302-I307 HydrophobicContact CB-CG1 4.23Å; F302-I307 HydrophobicContact CB-CG2 4Å; F302-I307 HydrophobicContact CD1-CG2 4.36Å; A305-I307 PolarHBondContact O-N 3.3Å; I307-V309 HydrophobicContact CD1-CG2 4.19Å | ||
| 308 | E | 94.1 | Very high | 86.2 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.9 | 173.1 | 177.7 | -170.5 | 132.2 | 0 | 0 | 108.1 | V244 R245 D298 T310 | V244-E308 CarbonylContact C-O 3.59Å; V244-E308 WeakPolarHBondContact CA-O 3.48Å; R245-E308 HydrophobicContact CG-CB 3.83Å; R245-E308 HydrophobicContact CG-CG 4.37Å; R245-E308 IonicContact CZ-OE1 3.23Å; R245-E308 IonicContact CZ-OE2 3.68Å; R245-E308 PolarHBondContact N-O 3.48Å; R245-E308 IonicContact NE-OE1 3.89Å; R245-E308 PolarHBondContact NE-OE1 3.43Å; R245-E308 IonicContact NE-OE2 3.28Å; R245-E308 PolarHBondContact NE-OE2 2.92Å; R245-E308 IonicContact NH1-OE1 2.81Å; R245-E308 VanDerWaalsContact NH2-CD 3.29Å; R245-E308 IonicContact NH2-OE1 2.74Å; R245-E308 PolarHBondContact NH2-OE1 2.79Å; R245-E308 VanDerWaalsContact NH2-OE1 3.13Å; R245-E308 IonicContact NH2-OE2 3.4Å; R245-E308 PolarHBondContact NH2-OE2 3.39Å; R245-E308 PolarHBondContact O-N 3.12Å; D298-E308 WeakPolarHBondContact OD1-CA 3.34Å; E308-T310 HydrophobicContact CG-CG2 4.45Å |
| 309 | V | 96.8 | Very high | 83.8 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.5 | -169.5 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | L242 Y243 V244 F260 L294 L297 D298 I307 | L242-V309 HydrophobicContact CB-CG1 4.01Å; L242-V309 HydrophobicContact CD1-CG1 3.7Å; L242-V309 HydrophobicContact CG-CG1 4.33Å; Y243-V309 WeakPolarHBondContact O-CA 3.31Å; V244-V309 HydrophobicContact CG1-CG2 4.29Å; V244-V309 HydrophobicContact CG2-CG1 4.32Å; V244-V309 HydrophobicContact CG2-CG2 4.32Å; F260-V309 HydrophobicContact CE1-CG1 4.16Å; F260-V309 HydrophobicContact CE1-CG2 4.38Å; F260-V309 HydrophobicContact CZ-CG1 4.46Å; F260-V309 HydrophobicContact CZ-CG2 3.92Å; L294-V309 HydrophobicContact CD1-CB 4.19Å; L294-V309 HydrophobicContact CD1-CG1 3.85Å; L294-V309 WeakPolarHBondContact CD1-O 3.38Å; L297-V309 HydrophobicContact CB-CG2 4.19Å; L297-V309 WeakPolarHBondContact O-CG2 3.34Å; D298-V309 HydrophobicContact CB-CB 4.07Å; D298-V309 PolarHBondContact OD1-N 2.88Å; I307-V309 HydrophobicContact CD1-CG2 4.19Å |
| 310 | T | 95.1 | Very high | 81.3 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 170.8 | 178.8 | 71.4 | 0 | 0 | 0 | 0 | 110.7 | L242 Y243 E308 | L242-T310 CarbonylContact C-O 3.47Å; L242-T310 WeakPolarHBondContact CA-O 3.2Å; Y243-T310 PolarHBondContact N-O 2.87Å; Y243-T310 PolarHBondContact O-N 2.81Å; E308-T310 HydrophobicContact CG-CG2 4.45Å |
| 311 | W | 95 | Very high | 78.4 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 20% | 0.197 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 136.5 | 165.5 | -69 | 105.6 | 0 | 0 | 0 | 110.4 | M236 V239 L242 R287 A290 I291 L294 K313 | M236-W311 HydrophobicContact CE-CB 3.61Å; M236-W311 HydrophobicContact CE-CG 4.4Å; V239-W311 HydrophobicContact CB-CE3 4.25Å; V239-W311 HydrophobicContact CG1-CE3 3.85Å; V239-W311 HydrophobicContact CG1-CZ3 4.46Å; V239-W311 WeakPolarHBondContact O-CZ3 3.03Å; L242-W311 HydrophobicContact CD2-CD2 4.08Å; L242-W311 HydrophobicContact CD2-CE3 3.65Å; L242-W311 HydrophobicContact CD2-CH2 4.17Å; L242-W311 HydrophobicContact CD2-CZ3 3.72Å; R287-W311 HydrophobicContact CG-CH2 4Å; R287-W311 HydrophobicContact CG-CZ3 4.48Å; A290-W311 HydrophobicContact CB-CH2 3.67Å; A290-W311 HydrophobicContact CB-CZ3 3.73Å; I291-W311 HydrophobicContact CG1-CH2 3.87Å; I291-W311 HydrophobicContact CG1-CZ2 3.64Å; L294-W311 HydrophobicContact CD2-CD2 4.46Å; L294-W311 HydrophobicContact CD2-CZ2 3.94Å; L294-W311 VanDerWaalsContact CD2-NE1 3.33Å; W311-K313 PolarHBondContact O-N 3.37Å |
| 312 | A | 94 | Very high | 75.7 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 7% | 0.066 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 121.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | I241 F281 | I241-A312 HydrophobicContact CB-CB 4.03Å; I241-A312 HydrophobicContact CG2-CB 3.76Å; I241-A312 WeakPolarHBondContact O-CB 3.47Å; I241-A312 PolarHBondContact O-N 3.38Å; F281-A312 HydrophobicContact CD1-CB 3.83Å; F281-A312 HydrophobicContact CE1-CB 4Å |
| 313 | K | 89.8 | Confident | 72.7 | Confident | 99 Ų | 99 | 80 Ų | 80 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 128.7 | 172.2 | -65.4 | -168.5 | -177.1 | -174 | 0 | 109.1 | E228 R229 V231 W311 | E228-K313 IonicContact OE2-NZ 3.32Å; E228-K313 PolarHBondContact OE2-NZ 2.8Å; R229-K313 PolarHBondContact O-NZ 3.46Å; V231-K313 HydrophobicContact CG2-CB 4.47Å; W311-K313 PolarHBondContact O-N 3.37Å |
| 314 | P | 83.7 | Confident | 69.8 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 32% | 0.318 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 143.3 | 174.3 | -26.9 | 34.1 | 0 | 0 | 0 | 112.4 | V231 I235 M236 V239 D316 | V231-P314 HydrophobicContact CG1-CG 4.09Å; I235-P314 HydrophobicContact CG2-CB 4.45Å; I235-P314 HydrophobicContact CG2-CG 3.79Å; M236-P314 HydrophobicContact SD-CG 4.39Å; V239-P314 HydrophobicContact CG2-CG 3.9Å; P314-D316 PolarHBondContact O-N 2.77Å |
| 315 | V | 76.4 | Confident | 67.2 | Low | 107 Ų | 107 | 86 Ų | 86 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | trans | -82.9 | 113.3 | 171.2 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | K317 | V315-K317 PolarHBondContact O-N 2.78Š| ||
| 316 | D | 65 | Low | 64.3 | Low | 90 Ų | 90 | 93.4 Ų | 93.4 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | trans | -73.4 | 124.3 | 174.8 | -151.5 | -41.3 | 0 | 0 | 0 | 110.3 | P314 Y318 D319 | P314-D316 PolarHBondContact O-N 2.77Å; D316-Y318 PolarHBondContact O-N 3.4Å; D316-D319 PolarHBondContact O-N 3.04Å | ||
| 317 | K | 54 | Low | 61.1 | Low | 171 Ų | 171 | 91.2 Ų | 91.2 | 74% | 0.743 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.4 | -170.7 | -69.7 | -176.2 | 177.7 | -179.6 | 0 | 112.8 | V315 H320 | V315-K317 PolarHBondContact O-N 2.78Å; K317-H320 PolarHBondContact O-CD2 2.87Å |
| 318 | Y | 48.3 | Very low | 57.8 | Low | 186 Ų | 186 | 96.4 Ų | 96.4 | 73% | 0.729 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -20.9 | -179.1 | -66.1 | -75.6 | 0 | 0 | 0 | 113.5 | D316 H320 L321 | D316-Y318 PolarHBondContact O-N 3.4Å; Y318-H320 PolarHBondContact O-N 2.71Å; Y318-H320 VanDerWaalsContact O-N 3.17Å; Y318-L321 WeakPolarHBondContact O-CB 3.33Å; Y318-L321 PolarHBondContact O-N 3Å |
| 319 | D | 47 | Very low | 54.5 | Low | 39 Ų | 39 | 97 Ų | 97 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.2 | -19 | 179.9 | -86.9 | -29.1 | 0 | 0 | 0 | 113.5 | R229 D316 L321 R322 T323 | R229-D319 VanDerWaalsContact CD-OD2 3.29Å; R229-D319 WeakPolarHBondContact CD-OD2 3.49Å; R229-D319 IonicContact CZ-OD2 3.01Å; R229-D319 IonicContact NE-OD2 3.38Å; R229-D319 IonicContact NH1-OD2 2.79Å; R229-D319 PolarHBondContact NH1-OD2 3.37Å; D316-D319 PolarHBondContact O-N 3.04Å; D319-L321 PolarHBondContact O-N 2.74Å; D319-R322 PolarHBondContact O-N 3.31Å; D319-R322 VanDerWaalsContact O-N 3.09Å; D319-T323 WeakPolarHBondContact O-CB 2.96Å; D319-T323 PolarHBondContact O-N 2.88Å; D319-T323 PolarHBondContact O-OG1 2.8Å |
| 320 | H | 39.3 | Very low | 51.2 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -25 | 171.9 | -57.6 | -48.2 | 0 | 0 | 0 | 113.2 | K317 Y318 | K317-H320 PolarHBondContact O-CD2 2.87Å; Y318-H320 PolarHBondContact O-N 2.71Å; Y318-H320 VanDerWaalsContact O-N 3.17Å |
| 321 | L | 34.9 | Very low | 47.7 | Very low | 134 Ų | 134 | 105.4 Ų | 105.4 | 70% | 0.702 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -83.9 | -21.9 | 174.7 | -64.2 | 169 | 0 | 0 | 0 | 112.4 | Y318 D319 | Y318-L321 WeakPolarHBondContact O-CB 3.33Å; Y318-L321 PolarHBondContact O-N 3Å; D319-L321 PolarHBondContact O-N 2.74Å |
| 322 | R | 35 | Very low | 44.3 | Very low | 192 Ų | 192 | 108.4 Ų | 108.4 | 73% | 0.725 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -94.9 | -36.9 | -176.8 | -154.8 | 174.2 | -172 | -179.3 | 1.5 | 112.7 | D319 N324 H325 | D319-R322 PolarHBondContact O-N 3.31Å; D319-R322 VanDerWaalsContact O-N 3.09Å; R322-N324 VanDerWaalsContact C-N 3.3Å; R322-N324 PolarHBondContact O-N 3.26Å; R322-H325 PolarHBondContact O-N 3.1Å; R322-H325 VanDerWaalsContact O-N 3.17Å |
| 323 | T | 31 | Very low | 41 | Very low | 57 Ų | 57 | 115 Ų | 115 | 35% | 0.35 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.8 | -26.7 | -179.7 | 41.7 | 0 | 0 | 0 | 0 | 113.9 | D319 H325 N326 S327 | D319-T323 WeakPolarHBondContact O-CB 2.96Å; D319-T323 PolarHBondContact O-N 2.88Å; D319-T323 PolarHBondContact O-OG1 2.8Å; T323-H325 PolarHBondContact O-N 3.09Å; T323-N326 PolarHBondContact O-N 3.14Å; T323-S327 PolarHBondContact O-N 3.27Å; T323-S327 VanDerWaalsContact O-N 3.15Å; T323-S327 PolarHBondContact O-OG 2.93Å |
| 324 | N | 28.1 | Very low | 37.9 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -18.7 | 173 | -86.6 | -4.3 | 0 | 0 | 0 | 113.9 | R322 | R322-N324 VanDerWaalsContact C-N 3.3Å; R322-N324 PolarHBondContact O-N 3.26Å |
| 325 | H | 31.2 | Very low | 35 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 70% | 0.704 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -19.8 | 176.3 | -79.9 | -75.2 | 0 | 0 | 0 | 114.2 | R322 T323 | R322-H325 PolarHBondContact O-N 3.1Å; R322-H325 VanDerWaalsContact O-N 3.17Å; T323-H325 PolarHBondContact O-N 3.09Å |
| 326 | N | 26.4 | Very low | 32.6 | Very low | 159 Ų | 159 | 118.3 Ų | 118.3 | 85% | 0.85 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -5 | -178.1 | -79.8 | 21.2 | 0 | 0 | 0 | 114.5 | T323 | T323-N326 PolarHBondContact O-N 3.14Š|
| 327 | S | 24.3 | Very low | 30.8 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -130.3 | 13.1 | -175 | 65.1 | 0 | 0 | 0 | 0 | 115.7 | T323 | T323-S327 PolarHBondContact O-N 3.27Å; T323-S327 VanDerWaalsContact O-N 3.15Å; T323-S327 PolarHBondContact O-OG 2.93Å |
| 328 | Q | 24.9 | Very low | 29.5 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 51% | 0.514 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -161 | 160.1 | 159.4 | -115.9 | 147 | 97.9 | 0 | 0 | 112.4 | ||
| 329 | S | 24.9 | Very low | 28.4 | Very low | 76 Ų | 76 | 116.3 Ų | 116.3 | 53% | 0.531 | 61% | 0.609 | S | S | . | * | trans | 55.6 | 113.5 | 175.3 | 53.4 | 0 | 0 | 0 | 0 | 119.2 | L331 | S329-L331 PolarHBondContact O-N 3.3Š| ||
| 330 | V | 25.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 70% | 0.703 | 62% | 0.616 | S | S | * | * | trans | -79.4 | 103.5 | 148.3 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | K1163 | V330-K1163 WeakPolarHBondContact O-CE 3.4Å; V330-K1163 PolarHBondContact O-NZ 3.28Å; V330-K1163 VanDerWaalsContact O-NZ 3.09Å | ||
| 331 | L | 22.6 | Very low | 26.9 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | trans | 177.6 | 125.5 | 130.3 | -94.6 | -171.8 | 0 | 0 | 0 | 113.4 | S329 K1163 | S329-L331 PolarHBondContact O-N 3.3Å; L331-K1163 HydrophobicContact CD1-CD 4.03Å; L331-K1163 VanDerWaalsContact CD1-NZ 3.27Å; L331-K1163 VanDerWaalsContact CG-NZ 3.34Å | ||
| 332 | T | 23.8 | Very low | 26.4 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | trans | 68 | 148.2 | 141.9 | -34.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 333 | I | 25.3 | Very low | 25.9 | Very low | 147 Ų | 147 | 114.3 Ų | 114.3 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | trans | 74.8 | 116.8 | 177.6 | -46.2 | 173.6 | 0 | 0 | 0 | 111.6 | ||||
| 334 | N | 24.4 | Very low | 25.6 | Very low | 116 Ų | 116 | 115.5 Ų | 115.5 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | cis | -147.4 | 130.7 | 26.4 | -167.6 | -0.5 | 0 | 0 | 0 | 110.2 | N336 | N334-N336 PolarHBondContact O-N 2.86Š| ||
| 335 | P | 23.3 | Very low | 25.3 | Very low | 85 Ų | 85 | 114.7 Ų | 114.7 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -71.2 | -13.1 | -164.4 | 25.8 | -36.6 | 0 | 0 | 0 | 117.5 | Y337 T338 | P335-Y337 PolarHBondContact O-N 2.78Å; P335-T338 PolarHBondContact O-OG1 3.1Å |
| 336 | N | 25.2 | Very low | 25 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 66% | 0.658 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -77.7 | 10 | -164.1 | -68.7 | -9.3 | 0 | 0 | 0 | 116.7 | N334 | N334-N336 PolarHBondContact O-N 2.86Š|
| 337 | Y | 28 | Very low | 24.9 | Very low | 192 Ų | 192 | 111 Ų | 111 | 75% | 0.753 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -140 | 1.1 | -179.1 | -90.1 | -90.9 | 0 | 0 | 0 | 115.6 | P335 | P335-Y337 PolarHBondContact O-N 2.78Š|
| 338 | T | 26 | Very low | 25 | Very low | 87 Ų | 87 | 113.4 Ų | 113.4 | 53% | 0.534 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.6 | -26.3 | -175 | 40.7 | 0 | 0 | 0 | 0 | 114.8 | P335 Y340 F341 | P335-T338 PolarHBondContact O-OG1 3.1Å; T338-Y340 PolarHBondContact O-N 2.92Å; T338-F341 PolarHBondContact O-N 3.39Å |
| 339 | N | 24.5 | Very low | 25 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 67% | 0.674 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 35.9 | -166.5 | -61.5 | 26.5 | 0 | 0 | 0 | 114.3 | ||
| 340 | Y | 27.9 | Very low | 25.1 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 35% | 0.349 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -139.3 | 18.3 | 174.4 | -69.1 | -81.1 | 0 | 0 | 0 | 112.9 | K71 G106 T338 | K71-Y340 HydrophobicContact CG-CD2 4.15Å; K71-Y340 HydrophobicContact CG-CE2 3.89Å; G106-Y340 WeakPolarHBondContact O-CD1 3.44Å; G106-Y340 WeakPolarHBondContact O-CE1 3.33Å; T338-Y340 PolarHBondContact O-N 2.92Å |
| 341 | F | 27.5 | Very low | 25 | Very low | 156 Ų | 156 | 119.9 Ų | 119.9 | 68% | 0.684 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -131.8 | -3.6 | 174.8 | -105.8 | -81.8 | 0 | 0 | 0 | 115 | F68 T338 | F68-F341 HydrophobicContact CD1-CE2 4.47Å; F68-F341 HydrophobicContact CD2-CE2 4.37Å; F68-F341 HydrophobicContact CD2-CZ 4.16Å; F68-F341 AromaticContact CE1-CE2 3.94Å; F68-F341 HydrophobicContact CE1-CE2 3.94Å; F68-F341 AromaticContact CE2-CE2 3.8Å; F68-F341 HydrophobicContact CE2-CE2 3.8Å; F68-F341 AromaticContact CE2-CZ 3.89Å; F68-F341 HydrophobicContact CE2-CZ 3.89Å; F68-F341 HydrophobicContact CZ-CD2 4.15Å; F68-F341 AromaticContact CZ-CE2 3.56Å; F68-F341 HydrophobicContact CZ-CE2 3.56Å; F68-F341 HydrophobicContact CZ-CZ 4.14Å; T338-F341 PolarHBondContact O-N 3.39Å |
| 342 | N | 23.5 | Very low | 25.1 | Very low | 163 Ų | 163 | 121.8 Ų | 121.8 | 87% | 0.872 | 66% | 0.658 | S | S | * | * | trans | -103.1 | 90.7 | 166.3 | -79.8 | 13.7 | 0 | 0 | 0 | 108.9 | ||||
| 343 | G | 24.4 | Very low | 25.2 | Very low | 26 Ų | 26 | 124.8 Ų | 124.8 | 27% | 0.268 | 67% | 0.665 | S | S | . | * | trans | -114.3 | 105.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | C345 | G343-C345 PolarHBondContact O-N 3.42Š| ||
| 344 | S | 24.8 | Very low | 25.1 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 57% | 0.573 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 37.1 | 75.5 | 163.1 | 62.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 345 | C | 23.7 | Very low | 25.1 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 66% | 0.655 | 68% | 0.676 | S | S | * | * | trans | -151.3 | 107.1 | 153.8 | -95 | 0 | 0 | 0 | 0 | 109.2 | R206 G343 | R206-C345 PolarHBondContact NH2-SG 3.42Å; G343-C345 PolarHBondContact O-N 3.42Å | ||
| 346 | L | 24.8 | Very low | 25.2 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 60% | 0.602 | 69% | 0.687 | S | S | * | * | trans | -55.6 | 139.7 | -168.1 | -66.2 | 165.4 | 0 | 0 | 0 | 114.7 | L348 | L346-L348 PolarHBondContact O-N 3.14Š| ||
| 347 | P | 23.7 | Very low | 25.1 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | -92.6 | 70 | 175.2 | 37.7 | -34.4 | 0 | 0 | 0 | 112.2 | T349 | P347-T349 PolarHBondContact O-N 2.86Š| ||
| 348 | L | 25.5 | Very low | 25 | Very low | 129 Ų | 129 | 121 Ų | 121 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | trans | -59 | 123.5 | 177.7 | -99.7 | 161.8 | 0 | 0 | 0 | 112.4 | L346 | L346-L348 PolarHBondContact O-N 3.14Š| ||
| 349 | T | 25.1 | Very low | 24.9 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | trans | -84.8 | 135.7 | -175.2 | 43 | 0 | 0 | 0 | 0 | 111.9 | P347 | P347-T349 PolarHBondContact O-N 2.86Š| ||
| 350 | T | 27.2 | Very low | 24.8 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | -107.6 | 105.8 | 174.9 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 351 | Q | 24.5 | Very low | 24.8 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -76.3 | 159.4 | 157.2 | -74.8 | -144.8 | 46.4 | 0 | 0 | 111.1 | ||||
| 352 | Q | 24.3 | Very low | 24.6 | Very low | 154 Ų | 154 | 120.9 Ų | 120.9 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | -99.3 | 129.7 | -168.1 | -67.5 | 163.8 | 27.3 | 0 | 0 | 112.8 | ||||
| 353 | Q | 26.4 | Very low | 24.8 | Very low | 177 Ų | 177 | 119 Ų | 119 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -156.8 | 125.9 | 134.4 | -103.5 | 144.9 | 97.4 | 0 | 0 | 108 | ||||
| 354 | A | 22 | Very low | 24.8 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | cis | 77.4 | 49.1 | 30.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 355 | I | 25.1 | Very low | 24.9 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | trans | -123.8 | 119.4 | 160.5 | -56.7 | 179.4 | 0 | 0 | 0 | 109 | ||||
| 356 | S | 24.3 | Very low | 24.9 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -117.6 | 96.5 | 169.2 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 357 | S | 23.2 | Very low | 25.1 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 35.2 | 122.7 | 149 | 62.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 358 | S | 26 | Very low | 25.2 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | -160.4 | 118.8 | 122.3 | 46.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 359 | S | 24.2 | Very low | 25.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 55.8 | 123.7 | 144.5 | 58 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 360 | S | 23.2 | Very low | 25.4 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 67 | 106.5 | 136.1 | 62.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 361 | S | 27 | Very low | 25.5 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | -147 | 122.2 | 128.7 | -77.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 362 | S | 23.5 | Very low | 25.5 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -110.2 | 129.5 | -172.6 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 363 | S | 27.8 | Very low | 25.6 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -144.2 | 102 | 167.8 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 364 | L | 23.7 | Very low | 25.5 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76 | 146.8 | 173.9 | -74.4 | 163.2 | 0 | 0 | 0 | 110.8 | ||
| 365 | S | 27.2 | Very low | 25.7 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 139.1 | 163.2 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 366 | L | 25.1 | Very low | 25.5 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52 | 159.6 | 158.8 | -103.1 | 63.2 | 0 | 0 | 0 | 111.2 | ||
| 367 | V | 27.7 | Very low | 25.6 | Very low | 142 Ų | 142 | 122.9 Ų | 122.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | cis | -139.6 | 149.8 | 18.5 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 368 | G | 26.6 | Very low | 25.7 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -173.3 | 50.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 369 | S | 28.9 | Very low | 25.6 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 61.7 | 106.6 | 159.7 | -58 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 370 | S | 26 | Very low | 25.7 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 63.5 | 102.3 | 128.2 | -49.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 371 | N | 29.2 | Very low | 25.8 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | -178.5 | 156.1 | 99.9 | -88.9 | -22.9 | 0 | 0 | 0 | 114.9 | |||||
| 372 | T | 23.9 | Very low | 25.8 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | trans | -80.8 | 176.4 | -157.7 | 41.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 373 | F | 26.6 | Very low | 25.9 | Very low | 183 Ų | 183 | 125.2 Ų | 125.2 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | 87.4 | 136.7 | 168.2 | -64.4 | -93 | 0 | 0 | 0 | 118.2 | ||||
| 374 | T | 24.1 | Very low | 25.9 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | 178.4 | 151.6 | -39.6 | 26.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 375 | I | 25.7 | Very low | 26 | Very low | 150 Ų | 150 | 126 Ų | 126 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 77.8 | 94.7 | 151.1 | -64.9 | 158.3 | 0 | 0 | 0 | 120.5 | ||||
| 376 | S | 22.5 | Very low | 26.1 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 40.5 | 154.1 | 130.6 | 74.8 | 0 | 0 | 0 | 0 | 128 | ||||
| 377 | S | 26.1 | Very low | 26.2 | Very low | 97 Ų | 97 | 124 Ų | 124 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | 85.1 | 89.4 | 138.7 | 49.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 378 | T | 24 | Very low | 26.2 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | 32.7 | 121.7 | 124 | 56.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 379 | S | 25.3 | Very low | 26.2 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | -171.9 | 175.1 | 116.6 | -156.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 380 | S | 25.2 | Very low | 26.2 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | -46 | 160.7 | 176.3 | -46.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 381 | G | 26 | Very low | 26.2 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | cis | 155.5 | -173 | 7.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 382 | I | 27.2 | Very low | 26.1 | Very low | 157 Ų | 157 | 125.4 Ų | 125.4 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | trans | 141.6 | 114.9 | 143.6 | -75.7 | 173 | 0 | 0 | 0 | 115.2 | ||||
| 383 | I | 26 | Very low | 26.7 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 64% | 0.641 | 74% | 0.739 | S | S | * | * | trans | 46.7 | 122.7 | 133.7 | -53.1 | 178.6 | 0 | 0 | 0 | 117.6 | ||||
| 384 | Y | 26.9 | Very low | 26.6 | Very low | 229 Ų | 229 | 124.4 Ų | 124.4 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | -131.2 | 162.4 | 72 | -98.3 | -87.7 | 0 | 0 | 0 | 117.4 | |||||
| 385 | S | 26.8 | Very low | 26.6 | Very low | 84 Ų | 84 | 126 Ų | 126 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | trans | -126.8 | 160.2 | -162.2 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 386 | N | 28.6 | Very low | 26.7 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | 174.7 | 111.9 | 126.4 | -85.4 | -2.5 | 0 | 0 | 0 | 107.7 | |||||
| 387 | S | 27 | Very low | 26.7 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | 67.3 | 135.2 | 79.7 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 388 | I | 28.9 | Very low | 26.8 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 82% | 0.815 | 74% | 0.738 | S | S | * | * | cis | -143.4 | 161.4 | 37.9 | -73.1 | 175.2 | 0 | 0 | 0 | 112.2 | ||||
| 389 | S | 25.9 | Very low | 27 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -72.4 | 159.1 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 390 | N | 28.3 | Very low | 27 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | 161.7 | 166.6 | 104 | -85.5 | -11.3 | 0 | 0 | 0 | 109.9 | |||||
| 391 | S | 26.2 | Very low | 27.1 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | cis | -175.9 | 143 | -33.9 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 392 | T | 27.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | trans | 60.8 | 141.2 | 159.7 | 47.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 393 | P | 37.3 | Very low | 26.9 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | -110.2 | 179.7 | 172.2 | 42.7 | -35 | 0 | 0 | 0 | 114.3 | ||||
| 394 | L | 23.5 | Very low | 27.6 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | 132.5 | 148.1 | 168.2 | -80.1 | 166.7 | 0 | 0 | 0 | 110.5 | ||||
| 395 | Q | 24.8 | Very low | 27.5 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 66% | 0.659 | 73% | 0.729 | S | S | * | * | cis | -167.3 | 179.1 | -6.1 | -171.5 | -173.3 | 66.2 | 0 | 0 | 108.8 | ||||
| 396 | Q | 26.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | trans | 86.4 | 144.2 | 156.6 | -58.2 | -168.2 | 12 | 0 | 0 | 118.8 | ||||
| 397 | L | 23.4 | Very low | 27.1 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | cis | -169.9 | 173.7 | -29.5 | -123.4 | 172.4 | 0 | 0 | 0 | 110 | ||||
| 398 | H | 27.2 | Very low | 26.9 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.676 | 73% | 0.731 | S | S | * | * | trans | 66.7 | 140.4 | 177 | -71.5 | -95.4 | 0 | 0 | 0 | 116.4 | ||||
| 399 | H | 29.1 | Very low | 26.9 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | cis | -141.3 | 146.9 | 4.7 | -115.6 | -70.7 | 0 | 0 | 0 | 112.4 | ||||
| 400 | L | 25.2 | Very low | 26.7 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | 0.1 | 149.1 | 142.6 | -48.3 | 176.8 | 0 | 0 | 0 | 118.1 | ||||
| 401 | N | 27 | Very low | 26.7 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | cis | -164.5 | -172.6 | 10.2 | -119.5 | 6.3 | 0 | 0 | 0 | 108.3 | ||||
| 402 | S | 26.8 | Very low | 26.5 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | cis | -161 | -167.4 | 6.9 | -120.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 403 | Y | 21.8 | Very low | 26.3 | Very low | 230 Ų | 230 | 140.3 Ų | 140.3 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | trans | -119.6 | 176.5 | -179.1 | -91.1 | -73.7 | 0 | 0 | 0 | 113.5 | ||||
| 404 | P | 41.4 | Very low | 25.9 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | trans | -107.1 | -173 | -159.6 | 43.6 | -40.7 | 0 | 0 | 0 | 115.4 | ||||
| 405 | F | 25.4 | Very low | 26 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 90% | 0.904 | 73% | 0.727 | S | S | * | * | trans | -169.8 | 137.3 | 144.8 | -110.7 | -77.4 | 0 | 0 | 0 | 116.2 | ||||
| 406 | S | 23.4 | Very low | 26 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | 21.7 | 129.8 | 146.1 | 73.3 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 407 | S | 23.1 | Very low | 26 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | 70 | 142.3 | 108.8 | 86.3 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 408 | I | 23.1 | Very low | 25.9 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | 77.5 | 111.8 | 145.8 | -67.2 | 155 | 0 | 0 | 0 | 119.3 | ||||
| 409 | I | 27.5 | Very low | 25.8 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | -167.7 | 170.3 | 128.8 | -104 | 164 | 0 | 0 | 0 | 109.7 | |||||
| 410 | N | 23.2 | Very low | 25.5 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | -159.5 | 165.5 | -100.7 | -172.5 | 18.5 | 0 | 0 | 0 | 110.8 | |||||
| 411 | Q | 26.9 | Very low | 25.4 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | 65.4 | 159.9 | 166.6 | -73.2 | 170.7 | -0.4 | 0 | 0 | 119.1 | ||||
| 412 | S | 23.1 | Very low | 25.3 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 58% | 0.58 | 73% | 0.732 | S | S | * | * | cis | 175.8 | 156.4 | -47 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | I | 23 | Very low | 25.2 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | trans | 72.8 | 134.9 | 164.3 | -52.5 | 149.6 | 0 | 0 | 0 | 112.9 | ||||
| 414 | I | 28.2 | Very low | 25.4 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | -151.5 | 127.1 | 60 | -67.1 | 167.5 | 0 | 0 | 0 | 107.1 | |||||
| 415 | S | 26.6 | Very low | 24.7 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | 59.8 | 147.4 | 88.1 | 130.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 416 | S | 24.7 | Very low | 24.7 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | cis | -178.1 | 166.7 | -14.3 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 417 | N | 25.7 | Very low | 24.7 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | 105.1 | 154.5 | 155.9 | -58.1 | -19.5 | 0 | 0 | 0 | 120.2 | ||||
| 418 | S | 21.3 | Very low | 24.9 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | -133.4 | -152.7 | -167.8 | -47.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 419 | Y | 24.9 | Very low | 25.2 | Very low | 212 Ų | 212 | 134.9 Ų | 134.9 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | 80.2 | 151.1 | 174.6 | -51.9 | -77.8 | 0 | 0 | 0 | 117 | ||||
| 420 | H | 23.6 | Very low | 24.9 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | cis | -170.6 | 147.4 | -42.7 | -136.6 | -64.5 | 0 | 0 | 0 | 109.8 | ||||
| 421 | L | 23 | Very low | 25 | Very low | 130 Ų | 130 | 134 Ų | 134 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | trans | 76.6 | 113.4 | 139.9 | -137.8 | 71 | 0 | 0 | 0 | 123.2 | ||||
| 422 | H | 24.7 | Very low | 24.9 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 68% | 0.681 | 72% | 0.715 | S | S | * | * | 91.3 | 147.7 | 129 | -96.5 | -126 | 0 | 0 | 0 | 126.4 | |||||
| 423 | N | 24.6 | Very low | 24.8 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | trans | 76.2 | 139.9 | 150.2 | -71.1 | -4.3 | 0 | 0 | 0 | 119.3 | ||||
| 424 | T | 26.5 | Very low | 24.8 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | cis | -166.5 | 156.9 | -3.7 | 12 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 425 | S | 26.9 | Very low | 24.6 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | 64.9 | 156.7 | 142.4 | 65.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 426 | S | 23.9 | Very low | 24.6 | Very low | 89 Ų | 89 | 140 Ų | 140 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | cis | 177.3 | 159.9 | -32 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 427 | F | 24.4 | Very low | 24.5 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | trans | 69 | 132.5 | 170.8 | -59.8 | -81 | 0 | 0 | 0 | 117.7 | ||||
| 428 | F | 27.4 | Very low | 24.6 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | -163 | 146 | 67.3 | -123.3 | -98 | 0 | 0 | 0 | 115.4 | |||||
| 429 | T | 28.1 | Very low | 24.8 | Very low | 102 Ų | 102 | 144 Ų | 144 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | trans | 10.5 | 120.2 | 161.8 | 61.9 | 0 | 0 | 0 | 0 | 126 | ||||
| 430 | Q | 22.7 | Very low | 24.8 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | 58.2 | 141 | 94.6 | -143 | 175.4 | 12.3 | 0 | 0 | 124.4 | |||||
| 431 | T | 24.8 | Very low | 24.8 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | 90.3 | 104.3 | 146.5 | 16.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 432 | T | 24 | Very low | 25 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | 60.9 | 124 | 128.1 | 54.4 | 0 | 0 | 0 | 0 | 126.9 | |||||
| 433 | M | 21 | Very low | 25 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 70% | 0.704 | 75% | 0.749 | S | S | * | * | 89.3 | 132.1 | 124 | -74.2 | -70 | -122.3 | 0 | 0 | 125.1 | |||||
| 434 | Y | 23.8 | Very low | 25 | Very low | 214 Ų | 214 | 141.2 Ų | 141.2 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 54.1 | 134.2 | 157.2 | -72 | -55.9 | 0 | 0 | 0 | 122.7 | ||||
| 435 | G | 24.6 | Very low | 24.9 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 156 | 74.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 436 | Y | 25.7 | Very low | 24.8 | Very low | 226 Ų | 226 | 151.2 Ų | 151.2 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | trans | 36.3 | 124.6 | 152.4 | -83.6 | -93.4 | 0 | 0 | 0 | 123.2 | ||||
| 437 | Q | 23.3 | Very low | 24.8 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | 56.7 | 110.5 | 129.9 | -154.6 | 77 | -7.6 | 0 | 0 | 120.5 | |||||
| 438 | S | 27.1 | Very low | 24.8 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -148.7 | 130.4 | 144.7 | -81.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 439 | Q | 26.6 | Very low | 24.7 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -100.4 | 167.5 | 178.4 | -69.8 | -178.5 | -37.2 | 0 | 0 | 111.4 | ||||
| 440 | L | 23.5 | Very low | 24.7 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | 70.8 | 112.8 | 151.4 | -74 | 158.6 | 0 | 0 | 0 | 119.8 | ||||
| 441 | N | 24 | Very low | 25 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 54.6 | 101.8 | 130.5 | -65.8 | -7.5 | 0 | 0 | 0 | 120.3 | ||||
| 442 | A | 28 | Very low | 24.9 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -126.1 | 133.9 | 138.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 443 | M | 25 | Very low | 25 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | cis | -154.6 | 153.2 | -3.4 | -171.1 | -179.5 | -68.4 | 0 | 0 | 110.3 | K445 | M443-K445 PolarHBondContact O-N 3.16Š| ||
| 444 | L | 22.6 | Very low | 25.1 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -58.9 | 116.3 | 163.4 | -92.2 | 71.2 | 0 | 0 | 0 | 110.5 | ||||
| 445 | K | 25.3 | Very low | 25.1 | Very low | 187 Ų | 187 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -170.4 | 75.4 | 149.7 | -109.8 | 163.7 | -173.5 | 176 | 0 | 113.5 | M443 | M443-K445 PolarHBondContact O-N 3.16Š| ||
| 446 | Y | 24.9 | Very low | 25.2 | Very low | 239 Ų | 239 | 151.5 Ų | 151.5 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | -150.4 | 137.1 | 129.8 | -118.9 | -78.1 | 0 | 0 | 0 | 110.4 | |||||
| 447 | T | 24.5 | Very low | 25 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -104.8 | 142 | -169.4 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 448 | I | 23.2 | Very low | 25.2 | Very low | 163 Ų | 163 | 151.1 Ų | 151.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 61.6 | 109.1 | 153.8 | -59.5 | 164.6 | 0 | 0 | 0 | 115.7 | ||||
| 449 | G | 26.7 | Very low | 25 | Very low | 79 Ų | 79 | 151 Ų | 151 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -129.9 | 26 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | N451 | G449-N451 PolarHBondContact O-N 2.92Š| ||
| 450 | H | 26.7 | Very low | 25 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 118.9 | 176 | -106.8 | -82 | 0 | 0 | 0 | 110.5 | ||||
| 451 | N | 28.8 | Very low | 25.1 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -126.7 | 70.7 | 176.4 | -140.2 | -13.2 | 0 | 0 | 0 | 111.1 | G449 | G449-N451 PolarHBondContact O-N 2.92Š| ||
| 452 | S | 24.5 | Very low | 25.3 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -91.2 | 121.4 | 163.7 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | S454 | S452-S454 PolarHBondContact O-N 3.17Å; S452-S454 VanDerWaalsContact O-N 3.14Å | ||
| 453 | L | 25.9 | Very low | 25.4 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -73 | 101 | 176.1 | -93.1 | 163.5 | 0 | 0 | 0 | 111.5 | ||||
| 454 | S | 22.5 | Very low | 25.4 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -134 | 153.2 | 155.9 | 68.3 | 0 | 0 | 0 | 0 | 110 | S452 | S452-S454 PolarHBondContact O-N 3.17Å; S452-S454 VanDerWaalsContact O-N 3.14Å | ||
| 455 | F | 24.4 | Very low | 26.3 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | -110.9 | 133 | -163.7 | -123.8 | -111.5 | 0 | 0 | 0 | 112.4 | ||||
| 456 | K | 25.6 | Very low | 26.5 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 65.4 | 130.9 | 160.1 | -71.6 | 178.2 | 176.6 | -178 | 0 | 119.7 | ||||
| 457 | Y | 22.6 | Very low | 26.7 | Very low | 214 Ų | 214 | 132.5 Ų | 132.5 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -57 | 143.9 | 156.2 | -75.5 | -108.2 | 0 | 0 | 0 | 112.8 | T459 | Y457-T459 HydrophobicContact CD1-CG2 4.4Š| ||
| 458 | T | 26.2 | Very low | 27.1 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | -139.8 | 143.9 | 126.8 | 43.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 459 | T | 23.6 | Very low | 27.6 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -102.7 | 131.6 | -172.6 | 49.5 | 0 | 0 | 0 | 0 | 113 | Y457 | Y457-T459 HydrophobicContact CD1-CG2 4.4Š| ||
| 460 | S | 27.7 | Very low | 28 | Very low | 127 Ų | 127 | 130 Ų | 130 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -165.2 | 163.2 | 149.7 | 54.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 461 | S | 25.5 | Very low | 28.4 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -112.5 | 175 | -169.8 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 462 | S | 27.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 76.3 | 136.7 | 147.1 | 41.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 463 | S | 29.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 66.1 | 112.1 | 148.7 | 50.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 464 | S | 26.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -69.6 | -177.6 | 148.2 | -17.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 465 | P | 39.9 | Very low | 29.7 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | cis | -136.5 | -171.9 | -6.1 | 40.4 | -22.4 | 0 | 0 | 0 | 115.3 | ||||
| 466 | S | 29.4 | Very low | 30 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 68.7 | 148.6 | 163.1 | 72.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 467 | S | 31 | Very low | 30.1 | Very low | 114 Ų | 114 | 115 Ų | 115 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | cis | -165.5 | -172.6 | -18.7 | 58.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 468 | S | 32.4 | Very low | 30.4 | Very low | 93 Ų | 93 | 110.4 Ų | 110.4 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -155.5 | 170.8 | -0.7 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 469 | S | 34.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 108.5 Ų | 108.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 56.8 | 144.8 | 152.8 | 51.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 470 | S | 34.7 | Very low | 30.7 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -170.3 | 167.4 | -5.2 | 45.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 471 | S | 34.9 | Very low | 30.6 | Very low | 109 Ų | 109 | 109.4 Ų | 109.4 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | -167.1 | 164 | 9.6 | 10.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 472 | S | 34.3 | Very low | 30.7 | Very low | 98 Ų | 98 | 110 Ų | 110 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | cis | -163.7 | 149 | 5.4 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 473 | S | 33 | Very low | 30.9 | Very low | 106 Ų | 106 | 110.7 Ų | 110.7 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 57 | 143.8 | 140 | 63.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 474 | S | 31.4 | Very low | 30.8 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | 175.6 | 155 | -8 | 46.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 475 | S | 30.9 | Very low | 30.9 | Very low | 99 Ų | 99 | 112.3 Ų | 112.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -173 | 160.9 | -9.9 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 476 | S | 29.5 | Very low | 30.4 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | trans | 48.8 | 121 | 151.4 | 55.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 477 | S | 27.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | 62.3 | 138.1 | 59.3 | 83 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 478 | S | 28.1 | Very low | 30.1 | Very low | 117 Ų | 117 | 118 Ų | 118 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -158.2 | 176.6 | 8.7 | 43.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 479 | S | 26.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 117 Ų | 117 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -73.2 | 159 | -178.2 | 52.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 480 | I | 29.5 | Very low | 29.6 | Very low | 176 Ų | 176 | 119.9 Ų | 119.9 | 90% | 0.903 | 77% | 0.774 | S | S | * | * | trans | -168.5 | 166.1 | 137.8 | -98.1 | 152.1 | 0 | 0 | 0 | 109.3 | ||||
| 481 | S | 26.3 | Very low | 29.4 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -130.9 | 161.3 | -159.7 | 56.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 482 | S | 28.4 | Very low | 29 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 65.6 | 154 | 160.9 | 41.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 483 | S | 29.9 | Very low | 28.7 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -147.7 | 179.7 | 13.6 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 484 | S | 27.7 | Very low | 28.4 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -48.4 | 166.4 | 178.6 | -44.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 485 | I | 29.4 | Very low | 28.9 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | -157.5 | 153.3 | 51.2 | -77.4 | -177.8 | 0 | 0 | 0 | 113 | |||||
| 486 | M | 28.2 | Very low | 28.9 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | 6.4 | 151.8 | 155.1 | -65.9 | 179 | -176.6 | 0 | 0 | 122 | ||||
| 487 | S | 25.5 | Very low | 29 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | cis | -172.4 | -176.2 | -7.4 | -178.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 488 | I | 28.7 | Very low | 29.2 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 78.3 | 126.9 | 170.7 | -49.7 | 173.5 | 0 | 0 | 0 | 116.2 | ||||
| 489 | G | 28.4 | Very low | 29.2 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 142.1 | 102.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 490 | N | 28.5 | Very low | 29.4 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -71.8 | 145.4 | 173 | -108.9 | -10.2 | 0 | 0 | 0 | 111 | ||||
| 491 | P | 29.7 | Very low | 29.3 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -75.9 | 159.7 | 171.7 | 34 | -35.8 | 0 | 0 | 0 | 111.7 | ||||
| 492 | M | 27.2 | Very low | 29.3 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | trans | 126.1 | 140.5 | 169.9 | -73.3 | -107.9 | -87.3 | 0 | 0 | 111.6 | ||||
| 493 | N | 27 | Very low | 29.4 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | cis | -174.5 | -155.4 | -7.5 | -175.7 | 2.2 | 0 | 0 | 0 | 106.4 | ||||
| 494 | I | 27.6 | Very low | 29.1 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | 67.2 | 165.7 | 145 | 54.1 | 168.4 | 0 | 0 | 0 | 119.4 | ||||
| 495 | P | 41.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | -128 | -175.4 | -24.9 | 25.4 | -2.1 | 0 | 0 | 0 | 112.1 | ||||
| 496 | S | 31.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | 172.6 | 154.3 | 74.4 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 497 | T | 32.8 | Very low | 29 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | cis | -129.2 | -93.8 | 37.8 | 44.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 498 | M | 30.4 | Very low | 29 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -154.6 | 172.4 | -138.1 | -78 | 176.4 | -159.7 | 0 | 0 | 114 | ||||
| 499 | K | 28.9 | Very low | 29 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | cis | -165.8 | 178.9 | -2.3 | -111.9 | 163.2 | 173.3 | -136.5 | 0 | 107.3 | ||||
| 500 | H | 30.6 | Very low | 28.8 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 63% | 0.634 | 73% | 0.731 | S | S | * | * | cis | -154.7 | 127 | 1.5 | -131.4 | -56.6 | 0 | 0 | 0 | 111.1 | ||||
| 501 | S | 27.6 | Very low | 28.7 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | trans | 29.6 | 132 | 142.5 | 62.9 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 502 | N | 26.2 | Very low | 28.7 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | 88.4 | 140 | 124.9 | -71.5 | 17.2 | 0 | 0 | 0 | 125.5 | |||||
| 503 | N | 29.7 | Very low | 28.7 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | 90.8 | 152.2 | 141.4 | -76.5 | 5.8 | 0 | 0 | 0 | 123 | ||||
| 504 | N | 25.1 | Very low | 28.8 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | -92.5 | 156.2 | -174.1 | -40.2 | -48.5 | 0 | 0 | 0 | 112.3 | ||||
| 505 | N | 27.8 | Very low | 28.8 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | 175 | 151.5 | 116.8 | -94.1 | -8.8 | 0 | 0 | 0 | 115.3 | |||||
| 506 | T | 28.7 | Very low | 28.2 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | trans | 46.2 | 115.2 | 144.4 | 60.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 507 | D | 25.5 | Very low | 28 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | 61.2 | 138.4 | 116.3 | -50.9 | -30.9 | 0 | 0 | 0 | 123.9 | |||||
| 508 | N | 25.6 | Very low | 27.8 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | 69.4 | 143.6 | 150.1 | -67.3 | -37.7 | 0 | 0 | 0 | 118.2 | ||||
| 509 | T | 29.2 | Very low | 27.6 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | cis | -145.2 | 160.5 | 3.4 | -16.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 510 | K | 24.8 | Very low | 27.6 | Very low | 182 Ų | 182 | 141 Ų | 141 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -50.9 | 145.7 | 164.6 | -53.7 | 158.4 | -176.2 | 169.9 | 0 | 111.3 | ||||
| 511 | N | 26.9 | Very low | 27.2 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | -173.5 | 144.5 | 112.3 | -102.7 | -23.7 | 0 | 0 | 0 | 114.6 | |||||
| 512 | I | 28.4 | Very low | 27.3 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 67.1 | 143.8 | 147.5 | -68.2 | 166 | 0 | 0 | 0 | 117.9 | ||||
| 513 | L | 26.6 | Very low | 27.3 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | cis | -170.2 | 176 | -33.5 | -153 | 66 | 0 | 0 | 0 | 107.6 | ||||
| 514 | I | 29.2 | Very low | 27 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | 77.3 | 115.5 | 155.4 | -66.9 | 165.1 | 0 | 0 | 0 | 118.3 | ||||
| 515 | N | 28.9 | Very low | 27 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | 64.7 | 115.5 | 152.8 | -66.5 | -15.2 | 0 | 0 | 0 | 119.2 | ||||
| 516 | K | 28.3 | Very low | 26.8 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | 69.5 | 129.7 | 72.9 | -71.5 | 178.8 | -175.4 | 175.7 | 0 | 112.3 | |||||
| 517 | S | 26 | Very low | 26.7 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -165.2 | 131.7 | 0.5 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 518 | I | 28.7 | Very low | 26.7 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -136.3 | 106.4 | 165.7 | -58.8 | 178.7 | 0 | 0 | 0 | 107.8 | Q520 | I518-Q520 HydrophobicContact CG2-CG 4Š| ||
| 519 | N | 27 | Very low | 26.8 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | trans | -107.5 | 130.5 | 155.5 | -96.5 | -1.3 | 0 | 0 | 0 | 106.4 | ||||
| 520 | Q | 28.7 | Very low | 26.6 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -88.5 | 162.3 | -179 | -73.4 | -177.9 | -19.7 | 0 | 0 | 112.3 | I518 | I518-Q520 HydrophobicContact CG2-CG 4Š| ||
| 521 | S | 23.7 | Very low | 26.8 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -81.3 | -176.5 | -170.2 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 522 | S | 28.5 | Very low | 26.6 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 95 | 117.3 | 170.7 | -39.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 523 | S | 25.7 | Very low | 26.5 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | 67 | 137.5 | 65 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 524 | S | 24.9 | Very low | 26.4 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -177.6 | 145.4 | -10.7 | 45.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 525 | S | 24.3 | Very low | 26.1 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | 28.7 | 120.4 | 151.2 | 61.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 526 | I | 24.4 | Very low | 25.9 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 74.4 | 117.6 | 125 | -62.4 | 172.6 | 0 | 0 | 0 | 119.6 | |||||
| 527 | L | 25.1 | Very low | 25.7 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | 69.3 | 129.7 | 151.9 | -70.1 | 166.8 | 0 | 0 | 0 | 122.8 | ||||
| 528 | N | 26.2 | Very low | 25.6 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 69.2 | 80.8 | 141.6 | -63.6 | -6.7 | 0 | 0 | 0 | 120.3 | ||||
| 529 | R | 27.2 | Very low | 25.5 | Very low | 205 Ų | 205 | 151.1 Ų | 151.1 | 77% | 0.774 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 119.5 | 140 | -82.3 | -165 | -178.9 | 161 | 8.3 | 114.1 | ||||
| 530 | I | 26 | Very low | 25.3 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | 49 | 90.5 | 129.7 | -46.6 | 166.4 | 0 | 0 | 0 | 116.7 | |||||
| 531 | R | 28.3 | Very low | 25.1 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | -169.6 | 144.4 | 113.6 | -110.9 | 172 | 179 | 161.9 | -0.4 | 113 | N533 | R531-N533 PolarHBondContact O-N 2.93Š| |||
| 532 | L | 23.8 | Very low | 25.2 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -68.5 | 104.1 | 150 | -74.8 | 105.8 | 0 | 0 | 0 | 107.5 | ||
| 533 | N | 25.3 | Very low | 25.1 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -179.5 | 36.5 | 152.2 | -95.9 | -3.9 | 0 | 0 | 0 | 112.5 | R531 | R531-N533 PolarHBondContact O-N 2.93Š| ||
| 534 | E | 24.1 | Very low | 25.1 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -123.4 | 73.5 | 174 | -70.6 | -167.9 | 151.8 | 0 | 0 | 111.2 | ||||
| 535 | L | 23.3 | Very low | 25.2 | Very low | 170 Ų | 170 | 155.5 Ų | 155.5 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -151.2 | 35.8 | 161.6 | -128.9 | 172.3 | 0 | 0 | 0 | 112.5 | ||
| 536 | C | 24.3 | Very low | 25.4 | Very low | 121 Ų | 121 | 158 Ų | 158 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -148.9 | 145.3 | 171.5 | -95 | 0 | 0 | 0 | 0 | 111.3 | ||
| 537 | Q | 25.3 | Very low | 25.6 | Very low | 185 Ų | 185 | 158.2 Ų | 158.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | 67.6 | 69.4 | 169.2 | -58.7 | -175.3 | 3.5 | 0 | 0 | 118.3 | ||||
| 538 | S | 23.7 | Very low | 25.7 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -145.5 | 26.7 | 152.1 | 58 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 539 | I | 25.5 | Very low | 25.7 | Very low | 176 Ų | 176 | 157.7 Ų | 157.7 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -121.7 | 89.7 | 155.2 | -58.7 | -178 | 0 | 0 | 0 | 108 | ||||
| 540 | S | 23.6 | Very low | 25.8 | Very low | 98 Ų | 98 | 157 Ų | 157 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | trans | -153.2 | 41 | -179.7 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 541 | T | 24.7 | Very low | 25.7 | Very low | 132 Ų | 132 | 157 Ų | 157 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -147.4 | 66.4 | 172.9 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 542 | M | 25.7 | Very low | 25.5 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -152 | 70.4 | 148.9 | -90 | -148.4 | -69.7 | 0 | 0 | 110.3 | ||||
| 543 | N | 26.1 | Very low | 25.5 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -121.7 | 82.4 | 158.2 | -107.5 | -20.6 | 0 | 0 | 0 | 106.6 | ||||
| 544 | I | 26 | Very low | 25.5 | Very low | 142 Ų | 142 | 156.7 Ų | 156.7 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | trans | -135.6 | 124.6 | -179.2 | -74.4 | -177.8 | 0 | 0 | 0 | 107 | ||||
| 545 | E | 26.3 | Very low | 25.4 | Very low | 146 Ų | 146 | 154 Ų | 154 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | 65.7 | 141.4 | 174.6 | -62.1 | -169.6 | 161.3 | 0 | 0 | 116.9 | ||||
| 546 | K | 28.7 | Very low | 25.4 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 64% | 0.635 | 78% | 0.775 | S | S | * | * | cis | -151.8 | 118.8 | -3.4 | -122.2 | 158.1 | -169 | 149.8 | 0 | 110.2 | ||||
| 547 | N | 27.8 | Very low | 25.5 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -165.1 | 94.2 | 139.1 | -102.5 | -27 | 0 | 0 | 0 | 111.6 | ||
| 548 | N | 28 | Very low | 25.6 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | trans | 13.2 | 113.8 | 151 | -54.7 | -18.8 | 0 | 0 | 0 | 117.5 | ||||
| 549 | I | 26.2 | Very low | 25.5 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 61.9 | 104.3 | 77.5 | -58.1 | 159.8 | 0 | 0 | 0 | 112.8 | |||||
| 550 | Q | 28.1 | Very low | 25.6 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | -162.3 | 154.5 | 114.9 | -109.1 | -168.6 | 6 | 0 | 0 | 113 | |||||
| 551 | N | 24.4 | Very low | 25.7 | Very low | 150 Ų | 150 | 155.9 Ų | 155.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -92.2 | 146.3 | 175.9 | -82.7 | -50 | 0 | 0 | 0 | 111.8 | ||||
| 552 | S | 24.4 | Very low | 25.7 | Very low | 101 Ų | 101 | 157 Ų | 157 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 47.3 | 121.5 | 144.1 | 69.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 553 | R | 24.3 | Very low | 25.9 | Very low | 202 Ų | 202 | 156.2 Ų | 156.2 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | 73.6 | 89.2 | 147.7 | -61.7 | 174.4 | 178.4 | 166 | 0 | 119.1 | K555 | R553-K555 HydrophobicContact CB-CB 4.37Å; R553-K555 HydrophobicContact CB-CG 4.27Å | ||
| 554 | Y | 25.2 | Very low | 26 | Very low | 237 Ų | 237 | 152.2 Ų | 152.2 | 93% | 0.929 | 74% | 0.741 | S | S | * | * | -85 | 133.5 | 104.2 | -93.1 | -125.8 | 0 | 0 | 0 | 107.4 | |||||
| 555 | K | 22.5 | Very low | 26 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | cis | 60.2 | 135 | 6.6 | -90.3 | -162.8 | 168.9 | -118.1 | 0 | 115.5 | R553 | R553-K555 HydrophobicContact CB-CB 4.37Å; R553-K555 HydrophobicContact CB-CG 4.27Å | ||
| 556 | Q | 22.7 | Very low | 25.9 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 56% | 0.561 | 75% | 0.746 | S | S | * | * | cis | -159.4 | 174.2 | -18.3 | -151.5 | 171.8 | -19.8 | 0 | 0 | 107.6 | ||||
| 557 | S | 27 | Very low | 25.6 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 72.8 | 144.4 | -176.5 | 83.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 558 | K | 25.9 | Very low | 25.4 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | cis | -82.1 | 121.7 | 1.8 | -70.5 | 179.7 | 176.5 | 177.9 | 0 | 113.4 | ||||
| 559 | Q | 22.7 | Very low | 25.1 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | trans | -105 | 150.4 | 141.4 | -76.4 | 178.3 | -60 | 0 | 0 | 106.8 | ||||
| 560 | Q | 26.7 | Very low | 24.9 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | 163.7 | 135.7 | 153.3 | -92.3 | -178.8 | 8.2 | 0 | 0 | 106.3 | ||||
| 561 | L | 25.6 | Very low | 24.7 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | cis | -164 | 173.9 | -3.4 | -127.8 | 169.6 | 0 | 0 | 0 | 111.1 | ||||
| 562 | F | 26.3 | Very low | 24.7 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | trans | 73.9 | 116.3 | 161 | -78.1 | -68.8 | 0 | 0 | 0 | 123.1 | ||||
| 563 | H | 28.6 | Very low | 24.8 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | 60.1 | 150.6 | 135.9 | -75.9 | 3.6 | 0 | 0 | 0 | 121.8 | ||||
| 564 | S | 28.4 | Very low | 24.9 | Very low | 87 Ų | 87 | 144.5 Ų | 144.5 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | cis | -159.9 | 138.7 | -16.3 | -108.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 565 | S | 26 | Very low | 25 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | trans | 18.9 | 131.3 | 141.4 | 65.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 566 | M | 23.7 | Very low | 25.1 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 83% | 0.828 | 72% | 0.721 | S | S | * | * | 78.7 | 137.4 | 126.5 | -88.3 | -174.1 | 159.3 | 0 | 0 | 124.7 | |||||
| 567 | L | 23.9 | Very low | 25.2 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | 78.9 | 126.9 | 137.7 | -74.8 | 165.7 | 0 | 0 | 0 | 122.8 | ||||
| 568 | N | 23.9 | Very low | 25.1 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 61.5 | 111.5 | 137.4 | -73.9 | 7.2 | 0 | 0 | 0 | 123.1 | ||||
| 569 | S | 21.5 | Very low | 25 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | 71.7 | 117.3 | 112.4 | -54.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 570 | Q | 21.2 | Very low | 25.1 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | 72 | 149.7 | 151.8 | -63.6 | -173.7 | -18.2 | 0 | 0 | 118.5 | ||||
| 571 | K | 23.1 | Very low | 25.1 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | 69.4 | 145.2 | 174.6 | -67.1 | 159.5 | 158.9 | -98.6 | 0 | 113.8 | ||||
| 572 | E | 24.9 | Very low | 25.1 | Very low | 127 Ų | 127 | 131 Ų | 131 | 59% | 0.593 | 72% | 0.721 | S | S | * | * | cis | -153.8 | 155.9 | 3.3 | -123.5 | 156.2 | -135.2 | 0 | 0 | 112 | ||||
| 573 | N | 26.8 | Very low | 25.2 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | trans | 55.8 | 132 | 150 | -54 | -27.9 | 0 | 0 | 0 | 123.8 | ||||
| 574 | S | 26.3 | Very low | 25.6 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | 66 | 149.8 | 136.8 | 56.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 575 | S | 26.4 | Very low | 25.4 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | cis | -172.2 | 165.7 | -18 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 576 | S | 25.4 | Very low | 25.4 | Very low | 89 Ų | 89 | 135 Ų | 135 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | 17.9 | 113.9 | 147.7 | 60.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 577 | E | 24.2 | Very low | 25.5 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | 87 | 135.8 | 79.8 | -78.9 | 177.5 | 156.2 | 0 | 0 | 116.9 | |||||
| 578 | T | 25.8 | Very low | 25.7 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | 64.8 | 110.8 | 151.9 | 53.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 579 | S | 23.9 | Very low | 25.8 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | 77.2 | 125.8 | 119.5 | -161.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 580 | T | 25.1 | Very low | 25.8 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 61.9 | 144.2 | 149 | 47.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 581 | L | 26.2 | Very low | 26 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -165.9 | 164.9 | -1.4 | -103.4 | 162.4 | 0 | 0 | 0 | 106.2 | ||||
| 582 | L | 26.6 | Very low | 26 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | cis | -122.4 | -176.8 | 6.2 | -83.6 | 117.1 | 0 | 0 | 0 | 109.2 | ||||
| 583 | Q | 28 | Very low | 26 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | cis | 75.3 | 149.3 | 34.9 | -93 | -163.8 | 24.8 | 0 | 0 | 116.5 | ||||
| 584 | P | 36.2 | Very low | 25.9 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -133.1 | 164.4 | 11.8 | 42 | -26.5 | 0 | 0 | 0 | 117.9 | ||||
| 585 | L | 25.1 | Very low | 25.7 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -157.1 | 128.8 | 139 | -137.2 | 99.2 | 0 | 0 | 0 | 112 | ||
| 586 | L | 25.8 | Very low | 25.8 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 51.1 | 111.1 | 172.9 | -86.7 | 78.2 | 0 | 0 | 0 | 122.2 | ||||
| 587 | Q | 26.4 | Very low | 25.6 | Very low | 183 Ų | 183 | 151.1 Ų | 151.1 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -58.7 | 168.5 | 151.5 | -77.9 | 149.8 | -45.2 | 0 | 0 | 113.4 | ||||
| 588 | S | 26.9 | Very low | 25.5 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -164.5 | -160.4 | -6.2 | 46.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 589 | N | 25.6 | Very low | 25.3 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | cis | -159.3 | -167.7 | 10.6 | -155.7 | -1.6 | 0 | 0 | 0 | 111.4 | ||||
| 590 | Q | 22.4 | Very low | 25.1 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -133.5 | 164 | 170.4 | -69.9 | -170.6 | -17.8 | 0 | 0 | 113.9 | ||||
| 591 | K | 24.4 | Very low | 25 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 80.6 | 114.8 | 158.4 | -71.3 | 178.3 | 178.9 | -179.8 | 0 | 121.3 | ||||
| 592 | N | 24.2 | Very low | 24.7 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 33.1 | 129.6 | 138.4 | -60.6 | 16.3 | 0 | 0 | 0 | 122.6 | ||||
| 593 | L | 25.2 | Very low | 24.5 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | -154.4 | 168.3 | 125.2 | -113.4 | 167.2 | 0 | 0 | 0 | 110.7 | |||||
| 594 | N | 23.4 | Very low | 24.6 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -104.5 | 163 | -158 | -73.4 | 18 | 0 | 0 | 0 | 116.3 | ||||
| 595 | E | 23.2 | Very low | 24 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | 57.5 | 107.6 | 142.3 | -74.3 | 157.4 | -129 | 0 | 0 | 122 | ||||
| 596 | R | 26.9 | Very low | 24 | Very low | 243 Ų | 243 | 154.2 Ų | 154.2 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | -170.9 | 103.6 | 116.9 | -101.5 | 171.1 | 177.5 | -162.2 | -2.5 | 108.7 | |||||
| 597 | L | 21.3 | Very low | 24 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 68.6 | 96.9 | 80.5 | -156.6 | 97.8 | 0 | 0 | 0 | 113.9 | |||||
| 598 | F | 23.4 | Very low | 24 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -174.6 | 89.1 | 135.6 | -106.2 | -69.2 | 0 | 0 | 0 | 112.8 | ||||
| 599 | V | 21.4 | Very low | 24.1 | Very low | 115 Ų | 115 | 153.1 Ų | 153.1 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | 40.7 | 133.4 | 126.7 | -178.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 600 | L | 19.7 | Very low | 24.4 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | 70.8 | 110.3 | 162.1 | -76.5 | 166.2 | 0 | 0 | 0 | 120 | ||||
| 601 | N | 21.9 | Very low | 24.6 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | 179.2 | -179.4 | 93.2 | -101.1 | -18.6 | 0 | 0 | 0 | 113.8 | |||||
| 602 | S | 21.7 | Very low | 24.7 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -83.7 | -173.8 | -169.3 | 54.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 603 | E | 22.5 | Very low | 24.6 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | 82.5 | 139.1 | 178 | -54.1 | -171.5 | 165.7 | 0 | 0 | 114.8 | ||||
| 604 | S | 28.2 | Very low | 24.8 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | cis | -151.2 | 142.6 | 39 | 37.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 605 | D | 24 | Very low | 24.9 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | -57.5 | 131.7 | 163.7 | -85.5 | -20.1 | 0 | 0 | 0 | 111.1 | R607 | D605-R607 HydrophobicContact CB-CG 4.12Å; D605-R607 PolarHBondContact O-N 3.45Å; D605-R607 IonicContact OD2-NE 3.86Å; D605-R607 PolarHBondContact OD2-NE 3.04Å; D605-R607 IonicContact OD2-NH2 3.35Å | ||
| 606 | K | 26.5 | Very low | 25 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -95.2 | 73.9 | 163.5 | -74.8 | -169.9 | 176.4 | -179.9 | 0 | 111.3 | L608 | K606-L608 PolarHBondContact O-N 2.86Å; K606-L608 VanDerWaalsContact O-N 3.12Å | ||
| 607 | R | 25.3 | Very low | 25 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 73% | 0.725 | 74% | 0.742 | S | S | * | * | trans | -64.4 | 107.3 | 169.4 | -64.3 | -175.6 | -176.4 | -161 | -2.6 | 110.1 | D605 N609 | D605-R607 HydrophobicContact CB-CG 4.12Å; D605-R607 PolarHBondContact O-N 3.45Å; D605-R607 IonicContact OD2-NE 3.86Å; D605-R607 PolarHBondContact OD2-NE 3.04Å; D605-R607 IonicContact OD2-NH2 3.35Å; R607-N609 PolarHBondContact O-N 2.87Å | ||
| 608 | L | 26.8 | Very low | 25.7 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | trans | -82.2 | 86 | 167.4 | -76 | 170.5 | 0 | 0 | 0 | 109.4 | K606 I610 | K606-L608 PolarHBondContact O-N 2.86Å; K606-L608 VanDerWaalsContact O-N 3.12Å; L608-I610 PolarHBondContact O-N 3.44Å | ||
| 609 | N | 28.2 | Very low | 26.3 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | trans | -59.9 | 122.5 | 162.6 | -90.6 | 26.4 | 0 | 0 | 0 | 109.2 | R607 D611 | R607-N609 PolarHBondContact O-N 2.87Å; N609-D611 WeakPolarHBondContact CB-OD2 3.44Å; N609-D611 PolarHBondContact ND2-OD2 2.92Å; N609-D611 PolarHBondContact O-N 3.46Å; N609-D611 VanDerWaalsContact O-N 3.09Å | ||
| 610 | I | 32.3 | Very low | 27.6 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 57% | 0.574 | 74% | 0.743 | S | S | * | * | trans | -85.7 | 68.1 | 166.7 | -51.4 | -179.6 | 0 | 0 | 0 | 108.1 | L608 I643 | L608-I610 PolarHBondContact O-N 3.44Å; I610-I643 HydrophobicContact CD1-CD1 4.13Å | ||
| 611 | D | 25.6 | Very low | 29.5 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 56% | 0.556 | 71% | 0.711 | S | S | * | * | trans | -70.3 | 160.1 | 172.7 | -89.4 | -60.5 | 0 | 0 | 0 | 111.4 | N609 S613 | N609-D611 WeakPolarHBondContact CB-OD2 3.44Å; N609-D611 PolarHBondContact ND2-OD2 2.92Å; N609-D611 PolarHBondContact O-N 3.46Å; N609-D611 VanDerWaalsContact O-N 3.09Å; D611-S613 VanDerWaalsContact C-N 3.27Å; D611-S613 PolarHBondContact O-N 2.98Å | ||
| 612 | Q | 26.5 | Very low | 31.9 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -76.5 | 48.9 | -155.8 | -59.1 | -176.9 | -8.9 | 0 | 0 | 116.2 | ||
| 613 | S | 23.6 | Very low | 34.5 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | trans | -137 | 28.8 | -168 | 59.1 | 0 | 0 | 0 | 0 | 117 | D611 | D611-S613 VanDerWaalsContact C-N 3.27Å; D611-S613 PolarHBondContact O-N 2.98Å | ||
| 614 | S | 27.5 | Very low | 37.3 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -129 | 97.2 | 161.2 | -165.3 | 0 | 0 | 0 | 0 | 113.6 | D616 | S614-D616 PolarHBondContact OG-O 2.91Š| ||
| 615 | R | 25.9 | Very low | 39.7 | Very low | 246 Ų | 246 | 124.6 Ų | 124.6 | 93% | 0.928 | 64% | 0.635 | S | S | * | * | trans | -91.1 | 79.5 | 152.5 | -75.8 | -175 | 179.4 | 174 | 0.5 | 108.2 | ||||
| 616 | D | 25.3 | Very low | 42.5 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 81% | 0.807 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 175.5 | 136.1 | 142.8 | -88.1 | -23.7 | 0 | 0 | 0 | 110.1 | S614 | S614-D616 PolarHBondContact OG-O 2.91Š|
| 617 | G | 27.1 | Very low | 45.3 | Very low | 75 Ų | 75 | 113.5 Ų | 113.5 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 97.2 | 34.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||
| 618 | Q | 35.4 | Very low | 48.1 | Very low | 178 Ų | 178 | 107.1 Ų | 107.1 | 83% | 0.832 | 56% | 0.564 | S | S | * | * | trans | -151.3 | 146.1 | 156.4 | -111.3 | 163.4 | 40.7 | 0 | 0 | 111.2 | ||||
| 619 | Q | 37.3 | Very low | 50.6 | Low | 173 Ų | 173 | 105.2 Ų | 105.2 | 81% | 0.808 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 133.6 | 179.1 | -63.1 | -168.5 | 27.6 | 0 | 0 | 110.2 | ||
| 620 | I | 47.5 | Very low | 53.1 | Low | 126 Ų | 126 | 101.9 Ų | 101.9 | 65% | 0.646 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 120.9 | 177.6 | -58.5 | 175.3 | 0 | 0 | 0 | 107.7 | N624 | I620-N624 HydrophobicContact CG2-CB 4.06Š|
| 621 | T | 61 | Low | 55.5 | Low | 16 Ų | 16 | 96.6 Ų | 96.6 | 10% | 0.098 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 157.6 | -179 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | A623 N624 K625 E683 | T621-A623 VanDerWaalsContact C-N 3.29Å; T621-A623 PolarHBondContact O-N 3.46Å; T621-N624 PolarHBondContact O-N 2.96Å; T621-N624 PolarHBondContact OG1-OD1 3.2Å; T621-K625 PolarHBondContact O-N 3.47Å; T621-E683 HydrophobicContact CG2-CG 3.44Å; T621-E683 VanDerWaalsContact CG2-CG 3.44Å; T621-E683 WeakPolarHBondContact CG2-OE1 3.41Å |
| 622 | N | 71.4 | Confident | 58.1 | Low | 145 Ų | 145 | 95.9 Ų | 95.9 | 78% | 0.775 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.2 | -36.7 | 179.7 | -73.8 | -25.5 | 0 | 0 | 0 | 113 | L626 | N622-L626 VanDerWaalsContact O-CB 3.25Å; N622-L626 WeakPolarHBondContact O-CB 3.09Å; N622-L626 PolarHBondContact O-N 2.89Å |
| 623 | A | 77 | Confident | 60.5 | Low | 11 Ų | 11 | 95.4 Ų | 95.4 | 9% | 0.091 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -66.8 | -47.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T621 K625 L626 L627 Q687 E691 | T621-A623 VanDerWaalsContact C-N 3.29Å; T621-A623 PolarHBondContact O-N 3.46Å; A623-K625 VanDerWaalsContact C-N 3.29Å; A623-K625 PolarHBondContact O-N 2.69Å; A623-L626 PolarHBondContact O-N 2.72Å; A623-L627 PolarHBondContact O-N 2.83Å; A623-Q687 HydrophobicContact CB-CG 4.05Å; A623-E691 HydrophobicContact CB-CG 3.97Å |
| 624 | N | 80.6 | Confident | 63.1 | Low | 13 Ų | 13 | 93 Ų | 93 | 7% | 0.07 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 178.3 | -59.7 | 11.5 | 0 | 0 | 0 | 110.5 | I620 T621 I628 F641 L686 S690 | I620-N624 HydrophobicContact CG2-CB 4.06Å; T621-N624 PolarHBondContact O-N 2.96Å; T621-N624 PolarHBondContact OG1-OD1 3.2Å; N624-I628 WeakPolarHBondContact O-CD1 3.23Å; N624-I628 WeakPolarHBondContact O-CG1 3.29Å; N624-I628 PolarHBondContact O-N 3.41Å; N624-I628 VanDerWaalsContact O-N 3.14Å; N624-F641 HydrophobicContact CB-CE1 4.37Å; N624-F641 HydrophobicContact CB-CZ 4.42Å; N624-L686 PolarHBondContact OD1-O 2.87Å; N624-S690 PolarHBondContact OD1-OG 3.49Å |
| 625 | K | 79.3 | Confident | 65.5 | Low | 117 Ų | 117 | 90.7 Ų | 90.7 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 176.1 | -173.9 | -176 | 172.9 | -171.4 | 0 | 112.1 | T621 A623 L627 I628 D629 | T621-K625 PolarHBondContact O-N 3.47Å; A623-K625 VanDerWaalsContact C-N 3.29Å; A623-K625 PolarHBondContact O-N 2.69Å; K625-L627 VanDerWaalsContact C-N 3.3Å; K625-L627 PolarHBondContact O-N 3.24Å; K625-I628 PolarHBondContact O-N 2.67Å; K625-I628 VanDerWaalsContact O-N 3.17Å; K625-D629 WeakPolarHBondContact CE-OD2 3.49Å; K625-D629 PolarHBondContact O-N 2.95Å |
| 626 | L | 82.6 | Confident | 67.9 | Low | 89 Ų | 89 | 80 Ų | 80 | 47% | 0.466 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 179.4 | 178.5 | 58.8 | 0 | 0 | 0 | 111.6 | N622 A623 D629 I630 I694 | N622-L626 VanDerWaalsContact O-CB 3.25Å; N622-L626 WeakPolarHBondContact O-CB 3.09Å; N622-L626 PolarHBondContact O-N 2.89Å; A623-L626 PolarHBondContact O-N 2.72Å; L626-D629 PolarHBondContact O-N 3.36Å; L626-I630 HydrophobicContact CD1-CD1 3.94Å; L626-I630 HydrophobicContact CD1-CG1 4.18Å; L626-I630 HydrophobicContact CG-CD1 3.86Å; L626-I630 WeakPolarHBondContact O-CB 3.27Å; L626-I630 WeakPolarHBondContact O-CD1 3.41Å; L626-I630 WeakPolarHBondContact O-CG1 3.39Å; L626-I630 PolarHBondContact O-N 3.38Å; L626-I694 HydrophobicContact CB-CD1 4.21Å; L626-I694 HydrophobicContact CD2-CD1 4.12Å; L626-I694 HydrophobicContact CG-CD1 4.08Å |
| 627 | L | 84.9 | Confident | 70.4 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174 | -180 | 64.5 | 0 | 0 | 0 | 111.9 | A623 K625 I630 C631 P639 F641 I664 A693 I694 L697 | A623-L627 PolarHBondContact O-N 2.83Å; K625-L627 VanDerWaalsContact C-N 3.3Å; K625-L627 PolarHBondContact O-N 3.24Å; L627-I630 PolarHBondContact O-N 3.45Å; L627-C631 WeakPolarHBondContact O-CB 3.19Å; L627-C631 PolarHBondContact O-N 3.44Å; L627-C631 PolarHBondContact O-SG 3.37Å; L627-C631 VanDerWaalsContact O-SG 3.33Å; L627-P639 HydrophobicContact CD2-CB 4.28Å; L627-P639 HydrophobicContact CD2-CG 4.46Å; L627-P639 HydrophobicContact CG-CG 4.33Å; L627-F641 HydrophobicContact CD2-CE1 4.5Å; L627-I664 HydrophobicContact CD2-CD1 3.59Å; L627-I664 HydrophobicContact CD2-CG2 4.13Å; L627-A693 HydrophobicContact CD1-CB 3.97Å; L627-A693 HydrophobicContact CD2-CB 3.82Å; L627-I694 HydrophobicContact CB-CD1 4.09Å; L627-I694 HydrophobicContact CB-CG1 3.94Å; L627-I694 HydrophobicContact CD1-CG1 3.94Å; L627-I694 HydrophobicContact CG-CG1 4.49Å; L627-L697 HydrophobicContact CD1-CD1 3.56Å |
| 628 | I | 84.7 | Confident | 72.9 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 174.8 | -68.9 | 158.9 | 0 | 0 | 0 | 110.4 | N624 K625 I630 C631 V632 P639 F641 | N624-I628 WeakPolarHBondContact O-CD1 3.23Å; N624-I628 WeakPolarHBondContact O-CG1 3.29Å; N624-I628 PolarHBondContact O-N 3.41Å; N624-I628 VanDerWaalsContact O-N 3.14Å; K625-I628 PolarHBondContact O-N 2.67Å; K625-I628 VanDerWaalsContact O-N 3.17Å; I628-I630 VanDerWaalsContact C-N 3.35Å; I628-I630 PolarHBondContact O-N 2.99Å; I628-C631 PolarHBondContact O-N 3.38Å; I628-V632 HydrophobicContact CG2-CG2 4.17Å; I628-V632 WeakPolarHBondContact O-CB 3.43Å; I628-V632 VanDerWaalsContact O-CG2 3.28Å; I628-V632 WeakPolarHBondContact O-CG2 3.34Å; I628-V632 PolarHBondContact O-N 3.49Å; I628-P639 HydrophobicContact CB-CG 4.44Å; I628-P639 HydrophobicContact CG1-CG 3.61Å; I628-F641 HydrophobicContact CD1-CE2 3.86Å; I628-F641 HydrophobicContact CD1-CZ 4.07Å; I628-F641 HydrophobicContact CG1-CE2 3.94Å; I628-F641 HydrophobicContact CG1-CZ 4.02Å |
| 629 | D | 79.9 | Confident | 75.3 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 180 | -73.6 | -23.9 | 0 | 0 | 0 | 111.5 | K625 L626 K633 | K625-D629 WeakPolarHBondContact CE-OD2 3.49Å; K625-D629 PolarHBondContact O-N 2.95Å; L626-D629 PolarHBondContact O-N 3.36Å; D629-K633 WeakPolarHBondContact O-CB 3.48Å; D629-K633 PolarHBondContact O-N 3.29Å |
| 630 | I | 80.2 | Confident | 77.6 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -49.5 | 174.3 | -72.6 | 166.3 | 0 | 0 | 0 | 111.2 | L626 L627 I628 N634 I694 L697 | L626-I630 HydrophobicContact CD1-CD1 3.94Å; L626-I630 HydrophobicContact CD1-CG1 4.18Å; L626-I630 HydrophobicContact CG-CD1 3.86Å; L626-I630 WeakPolarHBondContact O-CB 3.27Å; L626-I630 WeakPolarHBondContact O-CD1 3.41Å; L626-I630 WeakPolarHBondContact O-CG1 3.39Å; L626-I630 PolarHBondContact O-N 3.38Å; L627-I630 PolarHBondContact O-N 3.45Å; I628-I630 VanDerWaalsContact C-N 3.35Å; I628-I630 PolarHBondContact O-N 2.99Å; I630-N634 WeakPolarHBondContact O-CB 3.35Å; I630-N634 PolarHBondContact O-N 2.91Å; I630-N634 VanDerWaalsContact O-N 3.1Å; I630-N634 PolarHBondContact O-ND2 3.22Å; I630-I694 HydrophobicContact CD1-CG1 4.33Å; I630-I694 HydrophobicContact CD1-CG2 4.23Å; I630-L697 HydrophobicContact CG2-CD1 4.06Å |
| 631 | C | 82.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | -177.5 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | L627 I628 G635 L636 G637 | L627-C631 WeakPolarHBondContact O-CB 3.19Å; L627-C631 PolarHBondContact O-N 3.44Å; L627-C631 PolarHBondContact O-SG 3.37Å; L627-C631 VanDerWaalsContact O-SG 3.33Å; I628-C631 PolarHBondContact O-N 3.38Å; C631-G635 PolarHBondContact O-N 3.21Å; C631-G635 VanDerWaalsContact O-N 3.15Å; C631-L636 HydrophobicContact CB-CB 4.16Å; C631-L636 PolarHBondContact O-N 3.13Å; C631-G637 VanDerWaalsContact CB-O 3.3Å; C631-G637 WeakPolarHBondContact CB-O 3.42Å |
| 632 | V | 79.8 | Confident | 80.6 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66 | -47.1 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | I628 N634 G635 | I628-V632 HydrophobicContact CG2-CG2 4.17Å; I628-V632 WeakPolarHBondContact O-CB 3.43Å; I628-V632 VanDerWaalsContact O-CG2 3.28Å; I628-V632 WeakPolarHBondContact O-CG2 3.34Å; I628-V632 PolarHBondContact O-N 3.49Å; V632-N634 VanDerWaalsContact C-N 3.25Å; V632-N634 PolarHBondContact O-N 2.92Å; V632-G635 PolarHBondContact O-N 2.75Å; V632-G635 VanDerWaalsContact O-N 3.16Å |
| 633 | K | 77.9 | Confident | 81.3 | Confident | 181 Ų | 181 | 52.2 Ų | 52.2 | 79% | 0.787 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.2 | -33.7 | 180 | -177.3 | -179.2 | 176.5 | -171.3 | 0 | 112.8 | D629 | D629-K633 WeakPolarHBondContact O-CB 3.48Å; D629-K633 PolarHBondContact O-N 3.29Å |
| 634 | N | 77.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 55 Ų | 55 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 7 | -179.8 | -67 | -43.6 | 0 | 0 | 0 | 113.9 | I630 V632 L636 F702 | I630-N634 WeakPolarHBondContact O-CB 3.35Å; I630-N634 PolarHBondContact O-N 2.91Å; I630-N634 VanDerWaalsContact O-N 3.1Å; I630-N634 PolarHBondContact O-ND2 3.22Å; V632-N634 VanDerWaalsContact C-N 3.25Å; V632-N634 PolarHBondContact O-N 2.92Å; N634-L636 VanDerWaalsContact C-N 3.29Å; N634-L636 HydrophobicContact CB-CD1 4.16Å; N634-L636 HydrophobicContact CB-CG 4.04Å; N634-L636 PolarHBondContact O-N 2.98Å; N634-F702 HydrophobicContact CB-CE2 3.99Å; N634-F702 HydrophobicContact CB-CZ 3.63Å; N634-F702 WeakPolarHBondContact OD1-CZ 3.34Å |
| 635 | G | 77.5 | Confident | 81.5 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 19.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | C631 V632 G637 L668 | C631-G635 PolarHBondContact O-N 3.21Å; C631-G635 VanDerWaalsContact O-N 3.15Å; V632-G635 PolarHBondContact O-N 2.75Å; V632-G635 VanDerWaalsContact O-N 3.16Å; G635-G637 PolarHBondContact O-N 2.96Å; G635-L668 WeakPolarHBondContact O-CD1 3.23Å |
| 636 | L | 77.3 | Confident | 81.3 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | trans | -81.7 | 3.3 | -176.8 | -57.4 | 176.2 | 0 | 0 | 0 | 113.9 | C631 N634 L669 L697 F702 | C631-L636 HydrophobicContact CB-CB 4.16Å; C631-L636 PolarHBondContact O-N 3.13Å; N634-L636 VanDerWaalsContact C-N 3.29Å; N634-L636 HydrophobicContact CB-CD1 4.16Å; N634-L636 HydrophobicContact CB-CG 4.04Å; N634-L636 PolarHBondContact O-N 2.98Å; L636-L669 HydrophobicContact CD1-CD1 4.06Å; L636-L669 HydrophobicContact CD2-CD1 4.15Å; L636-L669 HydrophobicContact CD2-CD2 3.99Å; L636-L669 HydrophobicContact CD2-CG 4.1Å; L636-L697 HydrophobicContact CD1-CD2 3.78Å; L636-F702 HydrophobicContact CD1-CE2 4.5Å | ||
| 637 | G | 76.8 | Confident | 80.6 | Confident | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | trans | 81.2 | -179.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C631 G635 | C631-G637 VanDerWaalsContact CB-O 3.3Å; C631-G637 WeakPolarHBondContact CB-O 3.42Å; G635-G637 PolarHBondContact O-N 2.96Å | ||
| 638 | S | 80.2 | Confident | 79.5 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 134.5 | 169.5 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | N640 P667 | S638-N640 PolarHBondContact O-N 2.93Å; S638-P667 WeakPolarHBondContact O-CD 3.13Å |
| 639 | P | 85.1 | Confident | 77.9 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -63 | 133.4 | 168.1 | 25.7 | -32.6 | 0 | 0 | 0 | 110.5 | L627 I628 F641 I664 L666 | L627-P639 HydrophobicContact CD2-CB 4.28Å; L627-P639 HydrophobicContact CD2-CG 4.46Å; L627-P639 HydrophobicContact CG-CG 4.33Å; I628-P639 HydrophobicContact CB-CG 4.44Å; I628-P639 HydrophobicContact CG1-CG 3.61Å; P639-F641 HydrophobicContact CB-CE2 4.1Å; P639-F641 HydrophobicContact CB-CZ 4.2Å; P639-F641 HydrophobicContact CG-CE2 3.7Å; P639-F641 HydrophobicContact CG-CZ 3.83Å; P639-F641 WeakPolarHBondContact O-CD2 3.31Å; P639-I664 HydrophobicContact CB-CG2 3.92Å; P639-L666 HydrophobicContact CB-CD2 3.69Å |
| 640 | N | 86.6 | Confident | 76.7 | Confident | 82 Ų | 82 | 60 Ų | 60 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117.1 | 173.2 | -71.9 | -5.2 | 0 | 0 | 0 | 108.8 | S638 I664 F665 | S638-N640 PolarHBondContact O-N 2.93Å; N640-I664 WeakPolarHBondContact O-CA 3.41Å; N640-F665 HydrophobicContact CB-CB 4.35Å; N640-F665 PolarHBondContact N-O 3.16Å; N640-F665 PolarHBondContact O-N 3.34Å |
| 641 | F | 87.8 | Confident | 75 | Confident | 37 Ų | 37 | 67 Ų | 67 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.6 | 176.9 | -57.6 | -95.5 | 0 | 0 | 0 | 110.5 | N624 L627 I628 P639 Q663 I664 L686 | N624-F641 HydrophobicContact CB-CE1 4.37Å; N624-F641 HydrophobicContact CB-CZ 4.42Å; L627-F641 HydrophobicContact CD2-CE1 4.5Å; I628-F641 HydrophobicContact CD1-CE2 3.86Å; I628-F641 HydrophobicContact CD1-CZ 4.07Å; I628-F641 HydrophobicContact CG1-CE2 3.94Å; I628-F641 HydrophobicContact CG1-CZ 4.02Å; P639-F641 HydrophobicContact CB-CE2 4.1Å; P639-F641 HydrophobicContact CB-CZ 4.2Å; P639-F641 HydrophobicContact CG-CE2 3.7Å; P639-F641 HydrophobicContact CG-CZ 3.83Å; P639-F641 WeakPolarHBondContact O-CD2 3.31Å; F641-Q663 WeakPolarHBondContact CA-O 3.44Å; F641-I664 HydrophobicContact CD1-CD1 3.68Å; F641-I664 HydrophobicContact CD1-CG1 3.62Å; F641-I664 HydrophobicContact CE1-CD1 3.46Å; F641-I664 VanDerWaalsContact CE1-CD1 3.46Å; F641-I664 HydrophobicContact CE1-CG1 3.93Å; F641-I664 HydrophobicContact CG-CG1 4.47Å; F641-I664 HydrophobicContact CZ-CD1 4.49Å; F641-L686 HydrophobicContact CB-CD2 4.28Å; F641-L686 HydrophobicContact CD1-CD2 4.22Å |
| 642 | T | 84.8 | Confident | 73.3 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.7 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | Q663 | T642-Q663 PolarHBondContact N-O 3.49Å; T642-Q663 PolarHBondContact O-N 3.33Å |
| 643 | I | 84.3 | Confident | 71.9 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 123 | 178.8 | -56.7 | 150.4 | 0 | 0 | 0 | 108.6 | I610 Y660 I682 L686 | I610-I643 HydrophobicContact CD1-CD1 4.13Å; I643-Y660 HydrophobicContact CG2-CD1 3.87Å; I643-Y660 HydrophobicContact CG2-CG 4.44Å; I643-I682 HydrophobicContact CD1-CB 4.49Å; I643-I682 HydrophobicContact CD1-CD1 4.36Å; I643-I682 HydrophobicContact CD1-CG1 4.38Å; I643-I682 HydrophobicContact CD1-CG2 3.4Å; I643-I682 HydrophobicContact CG1-CG2 4.15Å; I643-I682 HydrophobicContact CG2-CG1 4.36Å; I643-L686 HydrophobicContact CD1-CD1 4.33Å; I643-L686 HydrophobicContact CG1-CD2 3.98Å; I643-L686 HydrophobicContact CG1-CG 4.35Å |
| 644 | L | 82.6 | Confident | 70.2 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 141.3 | 164 | -55.5 | 179.6 | 0 | 0 | 0 | 108.6 | Y660 I661 | L644-Y660 WeakPolarHBondContact O-CA 3.46Å; L644-I661 HydrophobicContact CB-CB 4.29Å; L644-I661 PolarHBondContact N-O 3.16Å; L644-I661 PolarHBondContact O-N 3.34Å |
| 645 | T | 80.6 | Confident | 69 | Low | 69 Ų | 69 | 65.6 Ų | 65.6 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 115 | 178.1 | -55 | 0 | 0 | 0 | 0 | 109.3 | N658 L659 Y660 | T645-N658 HydrophobicContact CG2-CB 3.98Å; T645-L659 WeakPolarHBondContact CA-O 3.22Å; T645-Y660 HydrophobicContact CG2-CD1 3.96Å; T645-Y660 HydrophobicContact CG2-CE1 3.58Å; T645-Y660 WeakPolarHBondContact OG1-CD1 3.46Å; T645-Y660 WeakPolarHBondContact OG1-CE1 3.42Å |
| 646 | Q | 74.9 | Confident | 68.2 | Low | 114 Ų | 114 | 70 Ų | 70 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.6 | 176.1 | -169.3 | 176.3 | 9.8 | 0 | 0 | 108.5 | L659 | Q646-L659 PolarHBondContact N-O 3.15Å; Q646-L659 PolarHBondContact O-N 3.39Å |
| 647 | S | 67.6 | Low | 67.8 | Low | 59 Ų | 59 | 72.3 Ų | 72.3 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.6 | 173 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | K656 M657 N658 | S647-K656 WeakPolarHBondContact OG-CE 3.23Å; S647-M657 WeakPolarHBondContact CA-O 3.31Å; S647-N658 WeakPolarHBondContact CB-OD1 3.45Å; S647-N658 PolarHBondContact OG-OD1 3.19Å |
| 648 | Y | 60.9 | Low | 67.8 | Low | 75 Ų | 75 | 74 Ų | 74 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149.4 | 174 | 70.8 | -68.2 | 0 | 0 | 0 | 109.7 | N650 K656 M657 L659 | Y648-N650 HydrophobicContact CD2-CB 4.27Å; Y648-N650 HydrophobicContact CE2-CB 3.71Å; Y648-K656 CarbonylContact O-C 3.58Å; Y648-K656 WeakPolarHBondContact O-CA 3.36Å; Y648-M657 HydrophobicContact CD1-CB 3.89Å; Y648-M657 VanDerWaalsContact CD1-O 3.31Å; Y648-M657 WeakPolarHBondContact CD1-O 3.37Å; Y648-M657 HydrophobicContact CE1-CB 3.21Å; Y648-M657 HydrophobicContact CE1-CG 4.39Å; Y648-M657 HydrophobicContact CE2-CB 4.22Å; Y648-M657 VanDerWaalsContact CZ-CB 3.43Å; Y648-M657 PolarHBondContact N-O 2.84Å; Y648-M657 PolarHBondContact O-N 3.36Å; Y648-L659 HydrophobicContact CD1-CD1 3.83Å; Y648-L659 HydrophobicContact CD1-CG 4.1Å; Y648-L659 HydrophobicContact CE1-CD1 3.54Å; Y648-L659 HydrophobicContact CE1-CD2 4.45Å; Y648-L659 HydrophobicContact CE1-CG 3.58Å |
| 649 | M | 51.9 | Low | 67.7 | Low | 121 Ų | 121 | 72.7 Ų | 72.7 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.5 | 164 | -71.1 | -68.1 | -79.7 | 0 | 0 | 106.7 | Q651 G654 K656 | M649-Q651 PolarHBondContact O-N 3.33Å; M649-G654 VanDerWaalsContact CE-O 3.31Å; M649-G654 WeakPolarHBondContact CE-O 3.49Å; M649-K656 HydrophobicContact SD-CB 3.73Å; M649-K656 HydrophobicContact SD-CG 4.43Å |
| 650 | N | 53.9 | Low | 67.5 | Low | 28 Ų | 28 | 74.5 Ų | 74.5 | 15% | 0.15 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 112.4 | 171.2 | -175.5 | -37.4 | 0 | 0 | 0 | 107.6 | Y648 I652 Y653 G654 K655 M657 | Y648-N650 HydrophobicContact CD2-CB 4.27Å; Y648-N650 HydrophobicContact CE2-CB 3.71Å; N650-I652 VanDerWaalsContact C-N 3.35Å; N650-I652 PolarHBondContact O-N 3.36Å; N650-I652 PolarHBondContact OD1-N 2.9Å; N650-Y653 CarbonylContact O-C 3.59Å; N650-Y653 PolarHBondContact O-N 3.17Å; N650-Y653 VanDerWaalsContact O-N 3.13Å; N650-Y653 WeakPolarHBondContact OD1-CD2 3.46Å; N650-Y653 PolarHBondContact OD1-N 2.78Å; N650-G654 PolarHBondContact O-N 3.1Å; N650-K655 PolarHBondContact N-O 3.09Å; N650-M657 HydrophobicContact CB-CG 4.12Å |
| 651 | Q | 44.9 | Very low | 67.3 | Low | 185 Ų | 185 | 71.6 Ų | 71.6 | 86% | 0.864 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -58.6 | -45.3 | -172.7 | -67 | 178.6 | -6.3 | 0 | 0 | 111.7 | M649 Y653 | M649-Q651 PolarHBondContact O-N 3.33Å; Q651-Y653 VanDerWaalsContact C-N 3.25Å; Q651-Y653 PolarHBondContact O-N 3.49Å |
| 652 | I | 47.2 | Very low | 67.1 | Low | 92 Ų | 92 | 69.8 Ų | 69.8 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -62.4 | -30.9 | 179.2 | -60.2 | 166.6 | 0 | 0 | 0 | 112 | E27 V31 N650 | E27-I652 HydrophobicContact CG-CG2 4.02Å; E27-I652 WeakPolarHBondContact CG-O 3.3Å; E27-I652 WeakPolarHBondContact OE1-CA 3.09Å; V31-I652 WeakPolarHBondContact CG2-O 3.35Å; N650-I652 VanDerWaalsContact C-N 3.35Å; N650-I652 PolarHBondContact O-N 3.36Å; N650-I652 PolarHBondContact OD1-N 2.9Å |
| 653 | Y | 49.7 | Very low | 67.1 | Low | 52 Ų | 52 | 69.3 Ų | 69.3 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -108.3 | -3.7 | -173.1 | -67.9 | -103.7 | 0 | 0 | 0 | 114.5 | V31 T34 N650 Q651 K655 | V31-Y653 HydrophobicContact CB-CD1 3.99Å; V31-Y653 HydrophobicContact CB-CE1 4.37Å; V31-Y653 HydrophobicContact CG1-CD1 3.97Å; V31-Y653 HydrophobicContact CG2-CD1 3.62Å; V31-Y653 HydrophobicContact CG2-CE1 4.05Å; V31-Y653 HydrophobicContact CG2-CG 3.9Å; T34-Y653 HydrophobicContact CG2-CE1 3.95Å; T34-Y653 PolarHBondContact OG1-OH 3.01Å; N650-Y653 CarbonylContact O-C 3.59Å; N650-Y653 PolarHBondContact O-N 3.17Å; N650-Y653 VanDerWaalsContact O-N 3.13Å; N650-Y653 WeakPolarHBondContact OD1-CD2 3.46Å; N650-Y653 PolarHBondContact OD1-N 2.78Å; Q651-Y653 VanDerWaalsContact C-N 3.25Å; Q651-Y653 PolarHBondContact O-N 3.49Å; Y653-K655 PolarHBondContact O-N 2.85Å |
| 654 | G | 43 | Very low | 67.3 | Low | 54 Ų | 54 | 68.1 Ų | 68.1 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 9.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | M649 N650 | M649-G654 VanDerWaalsContact CE-O 3.31Å; M649-G654 WeakPolarHBondContact CE-O 3.49Å; N650-G654 PolarHBondContact O-N 3.1Å |
| 655 | K | 51 | Low | 67.5 | Low | 105 Ų | 105 | 67.9 Ų | 67.9 | 46% | 0.457 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.5 | -171 | -82.4 | -171 | 178.3 | 168.3 | 0 | 113.2 | E35 N650 Y653 M657 | E35-K655 VanDerWaalsContact OE1-CD 3.23Å; E35-K655 WeakPolarHBondContact OE1-CD 3.05Å; E35-K655 WeakPolarHBondContact OE1-CE 3.26Å; E35-K655 IonicContact OE1-NZ 2.72Å; E35-K655 PolarHBondContact OE1-NZ 3.12Å; E35-K655 IonicContact OE2-NZ 3.83Å; E35-K655 PolarHBondContact OE2-NZ 3.17Å; N650-K655 PolarHBondContact N-O 3.09Å; Y653-K655 PolarHBondContact O-N 2.85Å; K655-M657 PolarHBondContact O-N 3.3Å; K655-M657 VanDerWaalsContact O-N 3.1Å |
| 656 | K | 61.6 | Low | 67.7 | Low | 147 Ų | 147 | 64.7 Ų | 64.7 | 64% | 0.639 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 99.1 | 171.9 | -168 | 168.9 | -176.1 | 170.7 | 0 | 109.6 | S647 Y648 M649 | S647-K656 WeakPolarHBondContact OG-CE 3.23Å; Y648-K656 CarbonylContact O-C 3.58Å; Y648-K656 WeakPolarHBondContact O-CA 3.36Å; M649-K656 HydrophobicContact SD-CB 3.73Å; M649-K656 HydrophobicContact SD-CG 4.43Å |
| 657 | M | 68.4 | Low | 67.8 | Low | 69 Ų | 69 | 61.4 Ų | 61.4 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 148.4 | 175.2 | -73.4 | -96.6 | -109.5 | 0 | 0 | 109.1 | S647 Y648 N650 K655 | S647-M657 WeakPolarHBondContact CA-O 3.31Å; Y648-M657 HydrophobicContact CD1-CB 3.89Å; Y648-M657 VanDerWaalsContact CD1-O 3.31Å; Y648-M657 WeakPolarHBondContact CD1-O 3.37Å; Y648-M657 HydrophobicContact CE1-CB 3.21Å; Y648-M657 HydrophobicContact CE1-CG 4.39Å; Y648-M657 HydrophobicContact CE2-CB 4.22Å; Y648-M657 VanDerWaalsContact CZ-CB 3.43Å; Y648-M657 PolarHBondContact N-O 2.84Å; Y648-M657 PolarHBondContact O-N 3.36Å; N650-M657 HydrophobicContact CB-CG 4.12Å; K655-M657 PolarHBondContact O-N 3.3Å; K655-M657 VanDerWaalsContact O-N 3.1Å |
| 658 | N | 77.4 | Confident | 68.3 | Low | 63 Ų | 63 | 64.4 Ų | 64.4 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.3 | 173.9 | -71.1 | -25.1 | 0 | 0 | 0 | 109.1 | T645 S647 Y660 | T645-N658 HydrophobicContact CG2-CB 3.98Å; S647-N658 WeakPolarHBondContact CB-OD1 3.45Å; S647-N658 PolarHBondContact OG-OD1 3.19Å; N658-Y660 HydrophobicContact CB-CE1 4.46Å; N658-Y660 HydrophobicContact CB-CE2 4.1Å |
| 659 | L | 78 | Confident | 69.2 | Low | 32 Ų | 32 | 62.9 Ų | 62.9 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 145.1 | 164.3 | -70.5 | 160.9 | 0 | 0 | 0 | 109.2 | T645 Q646 Y648 P678 I680 | T645-L659 WeakPolarHBondContact CA-O 3.22Å; Q646-L659 PolarHBondContact N-O 3.15Å; Q646-L659 PolarHBondContact O-N 3.39Å; Y648-L659 HydrophobicContact CD1-CD1 3.83Å; Y648-L659 HydrophobicContact CD1-CG 4.1Å; Y648-L659 HydrophobicContact CE1-CD1 3.54Å; Y648-L659 HydrophobicContact CE1-CD2 4.45Å; Y648-L659 HydrophobicContact CE1-CG 3.58Å; L659-P678 HydrophobicContact CB-CB 3.64Å; L659-P678 HydrophobicContact CD1-CB 4.04Å; L659-P678 HydrophobicContact CD2-CB 4.18Å; L659-P678 HydrophobicContact CG-CB 4.13Å; L659-I680 HydrophobicContact CD2-CG1 4.09Å |
| 660 | Y | 80 | Confident | 70.7 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 18% | 0.18 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.6 | -177.8 | -58.9 | -78.2 | 0 | 0 | 0 | 109.4 | I643 L644 T645 N658 S679 I682 S685 | I643-Y660 HydrophobicContact CG2-CD1 3.87Å; I643-Y660 HydrophobicContact CG2-CG 4.44Å; L644-Y660 WeakPolarHBondContact O-CA 3.46Å; T645-Y660 HydrophobicContact CG2-CD1 3.96Å; T645-Y660 HydrophobicContact CG2-CE1 3.58Å; T645-Y660 WeakPolarHBondContact OG1-CD1 3.46Å; T645-Y660 WeakPolarHBondContact OG1-CE1 3.42Å; N658-Y660 HydrophobicContact CB-CE1 4.46Å; N658-Y660 HydrophobicContact CB-CE2 4.1Å; Y660-S679 WeakPolarHBondContact CD2-O 3.49Å; Y660-S679 PolarHBondContact N-O 2.85Å; Y660-S679 PolarHBondContact O-N 2.85Å; Y660-I682 HydrophobicContact CD1-CD1 4.09Å; Y660-I682 HydrophobicContact CD1-CG1 3.42Å; Y660-I682 VanDerWaalsContact CD1-CG1 3.42Å; Y660-I682 HydrophobicContact CD2-CG1 3.96Å; Y660-I682 HydrophobicContact CE1-CD1 3.89Å; Y660-I682 HydrophobicContact CE1-CG1 3.66Å; Y660-I682 HydrophobicContact CE2-CG1 4.18Å; Y660-I682 HydrophobicContact CG-CG1 3.57Å; Y660-S685 VanDerWaalsContact C-OG 3.26Å; Y660-S685 WeakPolarHBondContact O-CB 3.47Å; Y660-S685 PolarHBondContact O-OG 2.81Å |
| 661 | I | 82.1 | Confident | 72 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.3 | 174 | -61.2 | 170.4 | 0 | 0 | 0 | 107.5 | L644 T674 P678 S685 | L644-I661 HydrophobicContact CB-CB 4.29Å; L644-I661 PolarHBondContact N-O 3.16Å; L644-I661 PolarHBondContact O-N 3.34Å; I661-T674 HydrophobicContact CG2-CG2 3.4Å; I661-T674 VanDerWaalsContact CG2-CG2 3.4Å; I661-P678 HydrophobicContact CD1-CB 4.36Å; I661-P678 HydrophobicContact CD1-CG 4.03Å; I661-P678 HydrophobicContact CG1-CB 3.83Å; I661-P678 HydrophobicContact CG1-CG 3.94Å; I661-S685 WeakPolarHBondContact CA-OG 3.48Å |
| 662 | G | 83.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | T674 S675 S685 | G662-T674 CarbonylContact O-C 3.56Å; G662-T674 WeakPolarHBondContact O-CA 3.44Å; G662-S675 PolarHBondContact N-OG 3.15Å; G662-S675 PolarHBondContact O-N 2.87Å; G662-S685 WeakPolarHBondContact CA-OG 3.31Å; G662-S685 PolarHBondContact N-OG 2.9Å |
| 663 | Q | 85.4 | Confident | 75.8 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.5 | 177.7 | -70.8 | -177.4 | -19.4 | 0 | 0 | 110.5 | F641 T642 F673 T674 | F641-Q663 WeakPolarHBondContact CA-O 3.44Å; T642-Q663 PolarHBondContact N-O 3.49Å; T642-Q663 PolarHBondContact O-N 3.33Å; Q663-F673 CarbonylContact C-O 3.54Å; Q663-F673 VanDerWaalsContact CA-O 3.25Å; Q663-F673 WeakPolarHBondContact CA-O 3.33Å; Q663-T674 HydrophobicContact CG-CG2 4.07Å |
| 664 | I | 88.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.1 | 174.6 | -64.1 | 179.7 | 0 | 0 | 0 | 109 | L627 P639 N640 F641 L666 Q672 F673 V689 S690 | L627-I664 HydrophobicContact CD2-CD1 3.59Å; L627-I664 HydrophobicContact CD2-CG2 4.13Å; P639-I664 HydrophobicContact CB-CG2 3.92Å; N640-I664 WeakPolarHBondContact O-CA 3.41Å; F641-I664 HydrophobicContact CD1-CD1 3.68Å; F641-I664 HydrophobicContact CD1-CG1 3.62Å; F641-I664 HydrophobicContact CE1-CD1 3.46Å; F641-I664 VanDerWaalsContact CE1-CD1 3.46Å; F641-I664 HydrophobicContact CE1-CG1 3.93Å; F641-I664 HydrophobicContact CG-CG1 4.47Å; F641-I664 HydrophobicContact CZ-CD1 4.49Å; I664-L666 HydrophobicContact CG2-CD2 4Å; I664-Q672 CarbonylContact O-C 3.57Å; I664-Q672 VanDerWaalsContact O-CA 3.3Å; I664-Q672 WeakPolarHBondContact O-CA 3.5Å; I664-F673 HydrophobicContact CB-CB 4.5Å; I664-F673 PolarHBondContact N-O 2.98Å; I664-F673 PolarHBondContact O-N 3.37Å; I664-V689 HydrophobicContact CB-CG2 4.17Å; I664-V689 HydrophobicContact CD1-CB 4.38Å; I664-V689 HydrophobicContact CD1-CG1 3.74Å; I664-V689 HydrophobicContact CD1-CG2 4.17Å; I664-V689 HydrophobicContact CG1-CB 4.44Å; I664-V689 HydrophobicContact CG1-CG1 3.74Å; I664-V689 HydrophobicContact CG1-CG2 3.94Å; I664-S690 WeakPolarHBondContact CD1-OG 3.21Å |
| 665 | F | 86.2 | Confident | 79 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 28% | 0.281 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.6 | 169.9 | -179.2 | -114.8 | 0 | 0 | 0 | 110.1 | N640 P667 Q672 | N640-F665 HydrophobicContact CB-CB 4.35Å; N640-F665 PolarHBondContact N-O 3.16Å; N640-F665 PolarHBondContact O-N 3.34Å; F665-P667 HydrophobicContact CD1-CB 4.31Å; F665-P667 HydrophobicContact CD1-CG 4Å; F665-P667 HydrophobicContact CE1-CB 3.95Å; F665-P667 HydrophobicContact CE1-CG 4.16Å; F665-P667 WeakPolarHBondContact O-CD 3.37Å; F665-Q672 HydrophobicContact CD2-CB 4.25Å |
| 666 | L | 85.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 99.4 | 174.1 | -61.2 | -171.8 | 0 | 0 | 0 | 108.9 | P639 I664 L668 L669 N670 R671 F673 L697 | P639-L666 HydrophobicContact CB-CD2 3.69Å; I664-L666 HydrophobicContact CG2-CD2 4Å; L666-L668 PolarHBondContact O-N 3.2Å; L666-L669 HydrophobicContact CB-CB 4.25Å; L666-L669 HydrophobicContact CD1-CD1 4.13Å; L666-L669 CarbonylContact O-C 3.47Å; L666-L669 PolarHBondContact O-N 3.48Å; L666-L669 VanDerWaalsContact O-N 3.14Å; L666-N670 PolarHBondContact O-N 2.75Å; L666-R671 PolarHBondContact N-O 3.12Å; L666-R671 PolarHBondContact O-N 3.39Å; L666-F673 HydrophobicContact CD1-CE2 3.77Å; L666-F673 HydrophobicContact CG-CE2 4.02Å; L666-L697 HydrophobicContact CD1-CD1 4.07Å; L666-L697 HydrophobicContact CD1-CD2 4.07Å; L666-L697 HydrophobicContact CD1-CG 4.19Å |
| 667 | P | 76 | Confident | 80.1 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -64.3 | -41.2 | -162.4 | -24.4 | 35.4 | 0 | 0 | 0 | 114.3 | S638 F665 L669 N670 | S638-P667 WeakPolarHBondContact O-CD 3.13Å; F665-P667 HydrophobicContact CD1-CB 4.31Å; F665-P667 HydrophobicContact CD1-CG 4Å; F665-P667 HydrophobicContact CE1-CB 3.95Å; F665-P667 HydrophobicContact CE1-CG 4.16Å; F665-P667 WeakPolarHBondContact O-CD 3.37Å; P667-L669 PolarHBondContact O-N 2.81Å; P667-N670 PolarHBondContact O-N 3.08Å |
| 668 | L | 78.5 | Confident | 80.3 | Confident | 121 Ų | 121 | 53.6 Ų | 53.6 | 63% | 0.634 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -78.7 | -7.3 | -178.4 | -57.7 | -172.9 | 0 | 0 | 0 | 113.9 | G635 L666 | G635-L668 WeakPolarHBondContact O-CD1 3.23Å; L666-L668 PolarHBondContact O-N 3.2Å |
| 669 | L | 81.1 | Confident | 80.2 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.225 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -106.8 | -1.9 | 171.4 | -61.4 | -179.1 | 0 | 0 | 0 | 112.4 | L636 L666 P667 R671 W696 L697 | L636-L669 HydrophobicContact CD1-CD1 4.06Å; L636-L669 HydrophobicContact CD2-CD1 4.15Å; L636-L669 HydrophobicContact CD2-CD2 3.99Å; L636-L669 HydrophobicContact CD2-CG 4.1Å; L666-L669 HydrophobicContact CB-CB 4.25Å; L666-L669 HydrophobicContact CD1-CD1 4.13Å; L666-L669 CarbonylContact O-C 3.47Å; L666-L669 PolarHBondContact O-N 3.48Å; L666-L669 VanDerWaalsContact O-N 3.14Å; P667-L669 PolarHBondContact O-N 2.81Å; L669-R671 HydrophobicContact CB-CB 4.43Å; L669-R671 PolarHBondContact O-N 2.9Å; L669-R671 VanDerWaalsContact O-N 3.1Å; L669-W696 HydrophobicContact CD1-CH2 4.32Å; L669-W696 HydrophobicContact CD1-CZ3 3.82Å; L669-L697 HydrophobicContact CD1-CD2 3.7Å |
| 670 | N | 81.7 | Confident | 80.2 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 39.1 | -174.5 | -166.3 | 57.8 | 0 | 0 | 0 | 113.4 | L666 P667 | L666-N670 PolarHBondContact O-N 2.75Å; P667-N670 PolarHBondContact O-N 3.08Å |
| 671 | R | 82.9 | Confident | 80.2 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.1 | -173.6 | -167.7 | 170.8 | -173.4 | 114.3 | 5 | 111.2 | L666 L669 F673 W696 | L666-R671 PolarHBondContact N-O 3.12Å; L666-R671 PolarHBondContact O-N 3.39Å; L669-R671 HydrophobicContact CB-CB 4.43Å; L669-R671 PolarHBondContact O-N 2.9Å; L669-R671 VanDerWaalsContact O-N 3.1Å; R671-F673 HydrophobicContact CB-CE2 4.47Å; R671-F673 HydrophobicContact CG-CE2 4.05Å; R671-F673 HydrophobicContact CG-CZ 4Å; R671-W696 VanDerWaalsContact CD-CZ2 3.45Å; R671-W696 VanDerWaalsContact NE-CE2 3.35Å |
| 672 | Q | 87.3 | Confident | 80.1 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 148.4 | 174.4 | -173.7 | 167.6 | -33.2 | 0 | 0 | 110.7 | I664 F665 | I664-Q672 CarbonylContact O-C 3.57Å; I664-Q672 VanDerWaalsContact O-CA 3.3Å; I664-Q672 WeakPolarHBondContact O-CA 3.5Å; F665-Q672 HydrophobicContact CD2-CB 4.25Å |
| 673 | F | 84.6 | Confident | 79.8 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.3 | 170.1 | -58.2 | -90.2 | 0 | 0 | 0 | 108.5 | Q663 I664 L666 R671 V689 A693 W696 | Q663-F673 CarbonylContact C-O 3.54Å; Q663-F673 VanDerWaalsContact CA-O 3.25Å; Q663-F673 WeakPolarHBondContact CA-O 3.33Å; I664-F673 HydrophobicContact CB-CB 4.5Å; I664-F673 PolarHBondContact N-O 2.98Å; I664-F673 PolarHBondContact O-N 3.37Å; L666-F673 HydrophobicContact CD1-CE2 3.77Å; L666-F673 HydrophobicContact CG-CE2 4.02Å; R671-F673 HydrophobicContact CB-CE2 4.47Å; R671-F673 HydrophobicContact CG-CE2 4.05Å; R671-F673 HydrophobicContact CG-CZ 4Å; F673-V689 HydrophobicContact CB-CG2 3.53Å; F673-A693 HydrophobicContact CD1-CB 4.31Å; F673-A693 HydrophobicContact CD2-CB 3.78Å; F673-A693 HydrophobicContact CE1-CB 4.46Å; F673-A693 HydrophobicContact CE2-CB 3.96Å; F673-A693 HydrophobicContact CG-CB 3.98Å; F673-A693 HydrophobicContact CZ-CB 4.29Å; F673-W696 HydrophobicContact CE1-CB 3.57Å; F673-W696 HydrophobicContact CE1-CD2 4.18Å; F673-W696 HydrophobicContact CE1-CE3 4.42Å; F673-W696 AromaticContact CE1-CG 3.78Å; F673-W696 HydrophobicContact CE1-CG 3.78Å; F673-W696 HydrophobicContact CE2-CE3 4.49Å; F673-W696 HydrophobicContact CZ-CB 3.86Å; F673-W696 AromaticContact CZ-CD2 3.76Å; F673-W696 HydrophobicContact CZ-CD2 3.76Å; F673-W696 AromaticContact CZ-CE3 3.59Å; F673-W696 HydrophobicContact CZ-CE3 3.59Å; F673-W696 AromaticContact CZ-CG 3.86Å; F673-W696 HydrophobicContact CZ-CG 3.86Å; F673-W696 HydrophobicContact CZ-CZ3 4.41Å |
| 674 | T | 83.4 | Confident | 79.4 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 16% | 0.16 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.9 | 174.2 | -54.7 | 0 | 0 | 0 | 0 | 107.9 | I661 G662 Q663 K676 | I661-T674 HydrophobicContact CG2-CG2 3.4Å; I661-T674 VanDerWaalsContact CG2-CG2 3.4Å; G662-T674 CarbonylContact O-C 3.56Å; G662-T674 WeakPolarHBondContact O-CA 3.44Å; Q663-T674 HydrophobicContact CG-CG2 4.07Å; T674-K676 PolarHBondContact O-N 2.83Å |
| 675 | S | 74.8 | Confident | 79 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | trans | -67.9 | 122.6 | 174 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | G662 Y677 | G662-S675 PolarHBondContact N-OG 3.15Å; G662-S675 PolarHBondContact O-N 2.87Å; S675-Y677 PolarHBondContact O-N 2.83Å; S675-Y677 VanDerWaalsContact O-N 3.13Å | ||
| 676 | K | 66.6 | Low | 78.8 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -54.7 | -36.3 | -174.1 | -172.9 | 172.5 | -170.4 | -179.3 | 0 | 113.8 | T674 D787 | T674-K676 PolarHBondContact O-N 2.83Å; K676-D787 WeakPolarHBondContact CE-OD1 3.4Å; K676-D787 WeakPolarHBondContact CE-OD2 3.39Å; K676-D787 IonicContact NZ-OD1 2.73Å; K676-D787 PolarHBondContact NZ-OD1 3.43Å; K676-D787 IonicContact NZ-OD2 3.27Å; K676-D787 PolarHBondContact NZ-OD2 3.4Å |
| 677 | Y | 69.8 | Low | 78.7 | Confident | 139 Ų | 139 | 68.9 Ų | 68.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -121.8 | 135.4 | -179.3 | -59.1 | -62.6 | 0 | 0 | 0 | 111.8 | S675 S679 | S675-Y677 PolarHBondContact O-N 2.83Å; S675-Y677 VanDerWaalsContact O-N 3.13Å; Y677-S679 PolarHBondContact O-N 2.95Å |
| 678 | P | 72.9 | Confident | 78.8 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | trans | -60 | 129.5 | 173.6 | -18.6 | 30 | 0 | 0 | 0 | 110.6 | L659 I661 | L659-P678 HydrophobicContact CB-CB 3.64Å; L659-P678 HydrophobicContact CD1-CB 4.04Å; L659-P678 HydrophobicContact CD2-CB 4.18Å; L659-P678 HydrophobicContact CG-CB 4.13Å; I661-P678 HydrophobicContact CD1-CB 4.36Å; I661-P678 HydrophobicContact CD1-CG 4.03Å; I661-P678 HydrophobicContact CG1-CB 3.83Å; I661-P678 HydrophobicContact CG1-CG 3.94Å | ||
| 679 | S | 75.6 | Confident | 79.1 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -106 | 140.8 | -174 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | Y660 Y677 T681 | Y660-S679 WeakPolarHBondContact CD2-O 3.49Å; Y660-S679 PolarHBondContact N-O 2.85Å; Y660-S679 PolarHBondContact O-N 2.85Å; Y677-S679 PolarHBondContact O-N 2.95Å; S679-T681 WeakPolarHBondContact CB-O 3.41Å; S679-T681 PolarHBondContact O-N 2.91Å; S679-T681 VanDerWaalsContact O-N 3.16Å |
| 680 | I | 77.5 | Confident | 79.3 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 60% | 0.6 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -62.9 | -20.9 | 177.4 | -59.5 | 169.9 | 0 | 0 | 0 | 112.2 | L659 | L659-I680 HydrophobicContact CD2-CG1 4.09Š|
| 681 | T | 79.1 | Confident | 79.4 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 37% | 0.368 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -128.6 | 144 | 173.2 | 67 | 0 | 0 | 0 | 0 | 112.2 | S679 E683 K684 S685 | S679-T681 WeakPolarHBondContact CB-O 3.41Å; S679-T681 PolarHBondContact O-N 2.91Å; S679-T681 VanDerWaalsContact O-N 3.16Å; T681-E683 PolarHBondContact O-N 2.9Å; T681-K684 PolarHBondContact O-N 2.83Å; T681-K684 WeakPolarHBondContact OG1-CG 3.45Å; T681-K684 PolarHBondContact OG1-N 3.23Å; T681-S685 PolarHBondContact O-N 2.9Å; T681-S685 VanDerWaalsContact O-N 3.13Å |
| 682 | I | 80.3 | Confident | 79.4 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -50.8 | -43.7 | 173 | -68.2 | 173.1 | 0 | 0 | 0 | 111.5 | I643 Y660 S685 L686 | I643-I682 HydrophobicContact CD1-CB 4.49Å; I643-I682 HydrophobicContact CD1-CD1 4.36Å; I643-I682 HydrophobicContact CD1-CG1 4.38Å; I643-I682 HydrophobicContact CD1-CG2 3.4Å; I643-I682 HydrophobicContact CG1-CG2 4.15Å; I643-I682 HydrophobicContact CG2-CG1 4.36Å; Y660-I682 HydrophobicContact CD1-CD1 4.09Å; Y660-I682 HydrophobicContact CD1-CG1 3.42Å; Y660-I682 VanDerWaalsContact CD1-CG1 3.42Å; Y660-I682 HydrophobicContact CD2-CG1 3.96Å; Y660-I682 HydrophobicContact CE1-CD1 3.89Å; Y660-I682 HydrophobicContact CE1-CG1 3.66Å; Y660-I682 HydrophobicContact CE2-CG1 4.18Å; Y660-I682 HydrophobicContact CG-CG1 3.57Å; I682-S685 VanDerWaalsContact O-CB 3.27Å; I682-S685 WeakPolarHBondContact O-CB 3.46Å; I682-S685 PolarHBondContact O-N 2.83Å; I682-L686 HydrophobicContact CG2-CD1 3.91Å; I682-L686 HydrophobicContact CG2-CG 4.26Å; I682-L686 WeakPolarHBondContact O-CG 3.23Å; I682-L686 PolarHBondContact O-N 3.07Å |
| 683 | E | 78.6 | Confident | 79.2 | Confident | 97 Ų | 97 | 52.3 Ų | 52.3 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -46 | -175 | -170.7 | 176.2 | -171.5 | 0 | 0 | 112.6 | T621 T681 S685 Q687 | T621-E683 HydrophobicContact CG2-CG 3.44Å; T621-E683 VanDerWaalsContact CG2-CG 3.44Å; T621-E683 WeakPolarHBondContact CG2-OE1 3.41Å; T681-E683 PolarHBondContact O-N 2.9Å; E683-S685 VanDerWaalsContact C-N 3.33Å; E683-Q687 WeakPolarHBondContact O-CB 3.5Å; E683-Q687 PolarHBondContact O-N 2.88Å |
| 684 | K | 76.8 | Confident | 79.1 | Confident | 138 Ų | 138 | 52.5 Ų | 52.5 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64 | -40 | 173.8 | -74.6 | -177.4 | 175.1 | -174.7 | 0 | 111.7 | T681 Q687 S688 | T681-K684 PolarHBondContact O-N 2.83Å; T681-K684 WeakPolarHBondContact OG1-CG 3.45Å; T681-K684 PolarHBondContact OG1-N 3.23Å; K684-Q687 PolarHBondContact O-N 2.92Å; K684-S688 WeakPolarHBondContact O-CB 3.41Å; K684-S688 PolarHBondContact O-N 3.06Å |
| 685 | S | 78.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -52.2 | 178.1 | -156.5 | 0 | 0 | 0 | 0 | 111.6 | Y660 I661 G662 T681 I682 E683 Q687 S688 V689 | Y660-S685 VanDerWaalsContact C-OG 3.26Å; Y660-S685 WeakPolarHBondContact O-CB 3.47Å; Y660-S685 PolarHBondContact O-OG 2.81Å; I661-S685 WeakPolarHBondContact CA-OG 3.48Å; G662-S685 WeakPolarHBondContact CA-OG 3.31Å; G662-S685 PolarHBondContact N-OG 2.9Å; T681-S685 PolarHBondContact O-N 2.9Å; T681-S685 VanDerWaalsContact O-N 3.13Å; I682-S685 VanDerWaalsContact O-CB 3.27Å; I682-S685 WeakPolarHBondContact O-CB 3.46Å; I682-S685 PolarHBondContact O-N 2.83Å; E683-S685 VanDerWaalsContact C-N 3.33Å; S685-Q687 PolarHBondContact O-N 2.72Å; S685-S688 PolarHBondContact O-N 3.03Å; S685-V689 WeakPolarHBondContact O-CG1 3.3Å; S685-V689 PolarHBondContact O-N 3.13Å |
| 686 | L | 83.4 | Confident | 79.2 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 178.2 | -68.2 | 179.5 | 0 | 0 | 0 | 113 | N624 F641 I643 I682 V689 S690 | N624-L686 PolarHBondContact OD1-O 2.87Å; F641-L686 HydrophobicContact CB-CD2 4.28Å; F641-L686 HydrophobicContact CD1-CD2 4.22Å; I643-L686 HydrophobicContact CD1-CD1 4.33Å; I643-L686 HydrophobicContact CG1-CD2 3.98Å; I643-L686 HydrophobicContact CG1-CG 4.35Å; I682-L686 HydrophobicContact CG2-CD1 3.91Å; I682-L686 HydrophobicContact CG2-CG 4.26Å; I682-L686 WeakPolarHBondContact O-CG 3.23Å; I682-L686 PolarHBondContact O-N 3.07Å; L686-V689 WeakPolarHBondContact O-CG1 3.43Å; L686-S690 VanDerWaalsContact O-CB 3.31Å; L686-S690 WeakPolarHBondContact O-CB 3.47Å; L686-S690 PolarHBondContact O-N 3.49Å; L686-S690 PolarHBondContact O-OG 3.39Å |
| 687 | Q | 83 | Confident | 79.7 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 174 | 176.3 | 174.7 | -10.6 | 0 | 0 | 111.2 | A623 E683 K684 S685 V689 S690 E691 | A623-Q687 HydrophobicContact CB-CG 4.05Å; E683-Q687 WeakPolarHBondContact O-CB 3.5Å; E683-Q687 PolarHBondContact O-N 2.88Å; K684-Q687 PolarHBondContact O-N 2.92Å; S685-Q687 PolarHBondContact O-N 2.72Å; Q687-V689 PolarHBondContact O-N 3.03Å; Q687-S690 WeakPolarHBondContact O-CB 3.21Å; Q687-S690 PolarHBondContact O-N 3.12Å; Q687-S690 VanDerWaalsContact O-N 3.13Å; Q687-E691 HydrophobicContact CG-CG 4.46Å; Q687-E691 VanDerWaalsContact CG-OE1 3.23Å; Q687-E691 WeakPolarHBondContact CG-OE1 3.4Å; Q687-E691 PolarHBondContact NE2-OE1 2.9Å; Q687-E691 WeakPolarHBondContact O-CG 3.3Å; Q687-E691 PolarHBondContact O-N 3.31Å |
| 688 | S | 78.9 | Confident | 79.8 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | -178.6 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | K684 S685 S690 E691 L692 | K684-S688 WeakPolarHBondContact O-CB 3.41Å; K684-S688 PolarHBondContact O-N 3.06Å; S685-S688 PolarHBondContact O-N 3.03Å; S688-S690 VanDerWaalsContact C-N 3.33Å; S688-S690 PolarHBondContact O-N 2.84Å; S688-E691 PolarHBondContact O-N 3.35Å; S688-L692 WeakPolarHBondContact O-CG 3.44Å; S688-L692 PolarHBondContact O-N 3.44Å; S688-L692 VanDerWaalsContact O-N 3.13Å |
| 689 | V | 83.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.4 | -29.2 | 177.1 | 65 | 0 | 0 | 0 | 0 | 112.7 | I664 F673 S685 L686 Q687 A693 | I664-V689 HydrophobicContact CB-CG2 4.17Å; I664-V689 HydrophobicContact CD1-CB 4.38Å; I664-V689 HydrophobicContact CD1-CG1 3.74Å; I664-V689 HydrophobicContact CD1-CG2 4.17Å; I664-V689 HydrophobicContact CG1-CB 4.44Å; I664-V689 HydrophobicContact CG1-CG1 3.74Å; I664-V689 HydrophobicContact CG1-CG2 3.94Å; F673-V689 HydrophobicContact CB-CG2 3.53Å; S685-V689 WeakPolarHBondContact O-CG1 3.3Å; S685-V689 PolarHBondContact O-N 3.13Å; L686-V689 WeakPolarHBondContact O-CG1 3.43Å; Q687-V689 PolarHBondContact O-N 3.03Å; V689-A693 WeakPolarHBondContact O-CB 3.35Å; V689-A693 PolarHBondContact O-N 3.46Å |
| 690 | S | 85.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 173.1 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | N624 I664 L686 Q687 S688 A693 I694 | N624-S690 PolarHBondContact OD1-OG 3.49Å; I664-S690 WeakPolarHBondContact CD1-OG 3.21Å; L686-S690 VanDerWaalsContact O-CB 3.31Å; L686-S690 WeakPolarHBondContact O-CB 3.47Å; L686-S690 PolarHBondContact O-N 3.49Å; L686-S690 PolarHBondContact O-OG 3.39Å; Q687-S690 WeakPolarHBondContact O-CB 3.21Å; Q687-S690 PolarHBondContact O-N 3.12Å; Q687-S690 VanDerWaalsContact O-N 3.13Å; S688-S690 VanDerWaalsContact C-N 3.33Å; S688-S690 PolarHBondContact O-N 2.84Å; S690-A693 PolarHBondContact O-N 3.36Å; S690-I694 VanDerWaalsContact O-CG1 3.26Å; S690-I694 WeakPolarHBondContact O-CG1 3.49Å; S690-I694 PolarHBondContact O-N 2.79Å |
| 691 | E | 84.7 | Confident | 77.8 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.6 | -72.2 | 171.4 | -171.1 | 0 | 0 | 111.1 | A623 Q687 S688 A693 I694 I695 | A623-E691 HydrophobicContact CB-CG 3.97Å; Q687-E691 HydrophobicContact CG-CG 4.46Å; Q687-E691 VanDerWaalsContact CG-OE1 3.23Å; Q687-E691 WeakPolarHBondContact CG-OE1 3.4Å; Q687-E691 PolarHBondContact NE2-OE1 2.9Å; Q687-E691 WeakPolarHBondContact O-CG 3.3Å; Q687-E691 PolarHBondContact O-N 3.31Å; S688-E691 PolarHBondContact O-N 3.35Å; E691-A693 PolarHBondContact O-N 2.72Å; E691-I694 PolarHBondContact O-N 3.49Å; E691-I695 WeakPolarHBondContact O-CB 3.31Å; E691-I695 WeakPolarHBondContact O-CD1 3.33Å; E691-I695 VanDerWaalsContact O-CG1 3.25Å; E691-I695 WeakPolarHBondContact O-CG1 3.32Å; E691-I695 PolarHBondContact O-N 3.19Å |
| 692 | L | 82.1 | Confident | 76.2 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 172.2 | -69.2 | 171.9 | 0 | 0 | 0 | 112.6 | S688 I695 W696 | S688-L692 WeakPolarHBondContact O-CG 3.44Å; S688-L692 PolarHBondContact O-N 3.44Å; S688-L692 VanDerWaalsContact O-N 3.13Å; L692-I695 PolarHBondContact O-N 2.94Å; L692-W696 PolarHBondContact O-N 2.86Å |
| 693 | A | 82.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L627 F673 V689 S690 E691 W696 L697 | L627-A693 HydrophobicContact CD1-CB 3.97Å; L627-A693 HydrophobicContact CD2-CB 3.82Å; F673-A693 HydrophobicContact CD1-CB 4.31Å; F673-A693 HydrophobicContact CD2-CB 3.78Å; F673-A693 HydrophobicContact CE1-CB 4.46Å; F673-A693 HydrophobicContact CE2-CB 3.96Å; F673-A693 HydrophobicContact CG-CB 3.98Å; F673-A693 HydrophobicContact CZ-CB 4.29Å; V689-A693 WeakPolarHBondContact O-CB 3.35Å; V689-A693 PolarHBondContact O-N 3.46Å; S690-A693 PolarHBondContact O-N 3.36Å; E691-A693 PolarHBondContact O-N 2.72Å; A693-W696 PolarHBondContact O-N 3.49Å; A693-L697 WeakPolarHBondContact O-CG 3.43Å; A693-L697 PolarHBondContact O-N 3.02Å |
| 694 | I | 82.4 | Confident | 71.5 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 175.3 | -68.8 | 165.7 | 0 | 0 | 0 | 110.7 | L626 L627 I630 S690 E691 W696 L697 V698 | L626-I694 HydrophobicContact CB-CD1 4.21Å; L626-I694 HydrophobicContact CD2-CD1 4.12Å; L626-I694 HydrophobicContact CG-CD1 4.08Å; L627-I694 HydrophobicContact CB-CD1 4.09Å; L627-I694 HydrophobicContact CB-CG1 3.94Å; L627-I694 HydrophobicContact CD1-CG1 3.94Å; L627-I694 HydrophobicContact CG-CG1 4.49Å; I630-I694 HydrophobicContact CD1-CG1 4.33Å; I630-I694 HydrophobicContact CD1-CG2 4.23Å; S690-I694 VanDerWaalsContact O-CG1 3.26Å; S690-I694 WeakPolarHBondContact O-CG1 3.49Å; S690-I694 PolarHBondContact O-N 2.79Å; E691-I694 PolarHBondContact O-N 3.49Å; I694-W696 PolarHBondContact O-N 3.35Å; I694-L697 PolarHBondContact O-N 3.27Å; I694-V698 HydrophobicContact CG2-CG2 4.48Å; I694-V698 WeakPolarHBondContact O-CG2 3.44Å; I694-V698 PolarHBondContact O-N 3.12Å |
| 695 | I | 77.5 | Confident | 69.1 | Low | 97 Ų | 97 | 64.3 Ų | 64.3 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 178.2 | -69.8 | 163.6 | 0 | 0 | 0 | 110.3 | E691 L692 N699 | E691-I695 WeakPolarHBondContact O-CB 3.31Å; E691-I695 WeakPolarHBondContact O-CD1 3.33Å; E691-I695 VanDerWaalsContact O-CG1 3.25Å; E691-I695 WeakPolarHBondContact O-CG1 3.32Å; E691-I695 PolarHBondContact O-N 3.19Å; L692-I695 PolarHBondContact O-N 2.94Å; I695-N699 WeakPolarHBondContact O-CB 3.31Å; I695-N699 VanDerWaalsContact O-CG 3.24Å; I695-N699 PolarHBondContact O-N 3.42Å; I695-N699 PolarHBondContact O-ND2 2.63Å |
| 696 | W | 82.9 | Confident | 66.6 | Low | 29 Ų | 29 | 69.4 Ų | 69.4 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 176.6 | -175.6 | 81.3 | 0 | 0 | 0 | 113 | L669 R671 F673 L692 A693 I694 V698 N699 Y700 H701 | L669-W696 HydrophobicContact CD1-CH2 4.32Å; L669-W696 HydrophobicContact CD1-CZ3 3.82Å; R671-W696 VanDerWaalsContact CD-CZ2 3.45Å; R671-W696 VanDerWaalsContact NE-CE2 3.35Å; F673-W696 HydrophobicContact CE1-CB 3.57Å; F673-W696 HydrophobicContact CE1-CD2 4.18Å; F673-W696 HydrophobicContact CE1-CE3 4.42Å; F673-W696 AromaticContact CE1-CG 3.78Å; F673-W696 HydrophobicContact CE1-CG 3.78Å; F673-W696 HydrophobicContact CE2-CE3 4.49Å; F673-W696 HydrophobicContact CZ-CB 3.86Å; F673-W696 AromaticContact CZ-CD2 3.76Å; F673-W696 HydrophobicContact CZ-CD2 3.76Å; F673-W696 AromaticContact CZ-CE3 3.59Å; F673-W696 HydrophobicContact CZ-CE3 3.59Å; F673-W696 AromaticContact CZ-CG 3.86Å; F673-W696 HydrophobicContact CZ-CG 3.86Å; F673-W696 HydrophobicContact CZ-CZ3 4.41Å; L692-W696 PolarHBondContact O-N 2.86Å; A693-W696 PolarHBondContact O-N 3.49Å; I694-W696 PolarHBondContact O-N 3.35Å; W696-V698 VanDerWaalsContact C-N 3.33Å; W696-V698 PolarHBondContact O-N 2.94Å; W696-N699 PolarHBondContact O-N 3.39Å; W696-Y700 AromaticContact CD1-CD2 3.22Å; W696-Y700 AromaticContact CD1-CE2 3.58Å; W696-Y700 AromaticContact CD1-CG 3.95Å; W696-Y700 HydrophobicContact CD2-CD2 4.32Å; W696-Y700 AromaticContact CE2-CD2 3.87Å; W696-Y700 AromaticContact CE2-CG 3.79Å; W696-Y700 AromaticContact CG-CD2 3.96Å; W696-Y700 HydrophobicContact CG-CD2 3.96Å; W696-Y700 HydrophobicContact CZ2-CG 4.19Å; W696-Y700 AromaticContact NE1-CD2 3.12Å; W696-Y700 AromaticContact NE1-CE2 3.64Å; W696-Y700 AromaticContact NE1-CG 3.35Å; W696-Y700 VanDerWaalsContact NE1-CG 3.35Å; W696-Y700 WeakPolarHBondContact O-CB 3.16Å; W696-Y700 WeakPolarHBondContact O-CD2 3.17Å; W696-Y700 PolarHBondContact O-N 3.05Å; W696-H701 AromaticContact CH2-CD2 3.35Å; W696-H701 WeakPolarHBondContact CH2-CD2 3.14Å; W696-H701 AromaticContact CH2-NE2 3.46Å; W696-H701 WeakPolarHBondContact CH2-NE2 3.25Å; W696-H701 AromaticContact CZ3-CD2 3.62Å |
| 697 | L | 77.5 | Confident | 63.9 | Low | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.9 | -77.7 | 169.1 | 0 | 0 | 0 | 112.7 | L627 I630 L636 L666 L669 A693 I694 H701 F702 | L627-L697 HydrophobicContact CD1-CD1 3.56Å; I630-L697 HydrophobicContact CG2-CD1 4.06Å; L636-L697 HydrophobicContact CD1-CD2 3.78Å; L666-L697 HydrophobicContact CD1-CD1 4.07Å; L666-L697 HydrophobicContact CD1-CD2 4.07Å; L666-L697 HydrophobicContact CD1-CG 4.19Å; L669-L697 HydrophobicContact CD1-CD2 3.7Å; A693-L697 WeakPolarHBondContact O-CG 3.43Å; A693-L697 PolarHBondContact O-N 3.02Å; I694-L697 PolarHBondContact O-N 3.27Å; L697-H701 PolarHBondContact O-N 3.27Å; L697-F702 PolarHBondContact O-N 3.29Å |
| 698 | V | 72.4 | Confident | 61.3 | Low | 74 Ų | 74 | 79 Ų | 79 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -51.6 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | I694 W696 Y700 F702 | I694-V698 HydrophobicContact CG2-CG2 4.48Å; I694-V698 WeakPolarHBondContact O-CG2 3.44Å; I694-V698 PolarHBondContact O-N 3.12Å; W696-V698 VanDerWaalsContact C-N 3.33Å; W696-V698 PolarHBondContact O-N 2.94Å; V698-Y700 PolarHBondContact O-N 2.98Å; V698-F702 CarbonylContact O-C 3.59Å |
| 699 | N | 65.7 | Low | 58.9 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.9 | -29.2 | -173.8 | -70.1 | -11.3 | 0 | 0 | 0 | 114.3 | I695 W696 | I695-N699 WeakPolarHBondContact O-CB 3.31Å; I695-N699 VanDerWaalsContact O-CG 3.24Å; I695-N699 PolarHBondContact O-N 3.42Å; I695-N699 PolarHBondContact O-ND2 2.63Å; W696-N699 PolarHBondContact O-N 3.39Å |
| 700 | Y | 60.1 | Low | 56.2 | Low | 161 Ų | 161 | 89 Ų | 89 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -118.4 | -12.4 | -169.2 | -71 | -90.9 | 0 | 0 | 0 | 115.9 | W696 V698 | W696-Y700 AromaticContact CD1-CD2 3.22Å; W696-Y700 AromaticContact CD1-CE2 3.58Å; W696-Y700 AromaticContact CD1-CG 3.95Å; W696-Y700 HydrophobicContact CD2-CD2 4.32Å; W696-Y700 AromaticContact CE2-CD2 3.87Å; W696-Y700 AromaticContact CE2-CG 3.79Å; W696-Y700 AromaticContact CG-CD2 3.96Å; W696-Y700 HydrophobicContact CG-CD2 3.96Å; W696-Y700 HydrophobicContact CZ2-CG 4.19Å; W696-Y700 AromaticContact NE1-CD2 3.12Å; W696-Y700 AromaticContact NE1-CE2 3.64Å; W696-Y700 AromaticContact NE1-CG 3.35Å; W696-Y700 VanDerWaalsContact NE1-CG 3.35Å; W696-Y700 WeakPolarHBondContact O-CB 3.16Å; W696-Y700 WeakPolarHBondContact O-CD2 3.17Å; W696-Y700 PolarHBondContact O-N 3.05Å; V698-Y700 PolarHBondContact O-N 2.98Å |
| 701 | H | 58.5 | Low | 53.5 | Low | 93 Ų | 93 | 96 Ų | 96 | 43% | 0.431 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -129.4 | -17.3 | 178.5 | -83.8 | -77.3 | 0 | 0 | 0 | 115.7 | W696 L697 | W696-H701 AromaticContact CH2-CD2 3.35Å; W696-H701 WeakPolarHBondContact CH2-CD2 3.14Å; W696-H701 AromaticContact CH2-NE2 3.46Å; W696-H701 WeakPolarHBondContact CH2-NE2 3.25Å; W696-H701 AromaticContact CZ3-CD2 3.62Å; L697-H701 PolarHBondContact O-N 3.27Å |
| 702 | F | 44.8 | Very low | 50.9 | Low | 94 Ų | 94 | 97 Ų | 97 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | trans | -138.1 | 71.4 | -174.2 | -70.1 | -76.1 | 0 | 0 | 0 | 114.5 | N634 L636 L697 V698 | N634-F702 HydrophobicContact CB-CE2 3.99Å; N634-F702 HydrophobicContact CB-CZ 3.63Å; N634-F702 WeakPolarHBondContact OD1-CZ 3.34Å; L636-F702 HydrophobicContact CD1-CE2 4.5Å; L697-F702 PolarHBondContact O-N 3.29Å; V698-F702 CarbonylContact O-C 3.59Å | ||
| 703 | I | 27.9 | Very low | 48.4 | Very low | 136 Ų | 136 | 100.2 Ų | 100.2 | 70% | 0.697 | 53% | 0.526 | S | S | * | . | trans | -115.1 | 99.2 | 157.1 | -57.5 | -178.7 | 0 | 0 | 0 | 109.2 | ||||
| 704 | S | 31.3 | Very low | 45.9 | Very low | 96 Ų | 96 | 106.1 Ų | 106.1 | 67% | 0.671 | 56% | 0.557 | S | S | * | * | trans | -144 | 94.7 | 160.9 | 64.6 | 0 | 0 | 0 | 0 | 109 | S706 | S704-S706 PolarHBondContact O-N 2.89Š| ||
| 705 | D | 26.4 | Very low | 43.5 | Very low | 159 Ų | 159 | 111 Ų | 111 | 85% | 0.85 | 58% | 0.584 | S | S | * | * | trans | -67.8 | 80.9 | 168.8 | -89.4 | -49.6 | 0 | 0 | 0 | 110.1 | N707 | D705-N707 PolarHBondContact O-N 3.42Š| ||
| 706 | S | 27.1 | Very low | 41.2 | Very low | 107 Ų | 107 | 114 Ų | 114 | 75% | 0.748 | 60% | 0.6 | S | S | * | * | trans | -98.7 | 73.9 | 172 | 65.7 | 0 | 0 | 0 | 0 | 109.8 | S704 | S704-S706 PolarHBondContact O-N 2.89Š| ||
| 707 | N | 25.7 | Very low | 38.7 | Very low | 135 Ų | 135 | 116 Ų | 116 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | trans | -78.7 | 145.8 | 176.9 | -150.4 | -31.4 | 0 | 0 | 0 | 110.7 | D705 | D705-N707 PolarHBondContact O-N 3.42Š| ||
| 708 | H | 28.6 | Very low | 36.4 | Very low | 156 Ų | 156 | 122.7 Ų | 122.7 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | trans | 81.1 | 150.8 | 163 | -98.7 | 56.2 | 0 | 0 | 0 | 123 | ||||
| 709 | N | 28.1 | Very low | 34.4 | Very low | 134 Ų | 134 | 125 Ų | 125 | 72% | 0.717 | 68% | 0.677 | S | S | * | * | trans | 83 | 139.4 | 163.9 | -60.2 | -26.6 | 0 | 0 | 0 | 118.1 | ||||
| 710 | N | 28.1 | Very low | 32.7 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | cis | -149.1 | 147.5 | 8.9 | -145.6 | -17.7 | 0 | 0 | 0 | 114.6 | N712 | N710-N712 PolarHBondContact OD1-N 3.04Š| ||
| 711 | N | 28.9 | Very low | 31.4 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -163.1 | 82.1 | 140.6 | -115.8 | -19.4 | 0 | 0 | 0 | 112.3 | ||||
| 712 | N | 29.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | trans | 48.7 | 119.5 | 140.2 | -54.3 | -19.7 | 0 | 0 | 0 | 118.5 | N710 | N710-N712 PolarHBondContact OD1-N 3.04Š| ||
| 713 | N | 30.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | -167 | 149.9 | 73.6 | -97.5 | -42.5 | 0 | 0 | 0 | 115.8 | |||||
| 714 | N | 30.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | trans | 75.1 | 104.1 | 145.8 | -64.4 | -6.3 | 0 | 0 | 0 | 122.7 | ||||
| 715 | N | 31.8 | Very low | 28.9 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | 102.1 | 103.7 | 121.7 | -64.6 | -5.1 | 0 | 0 | 0 | 121.6 | |||||
| 716 | N | 29.9 | Very low | 28.9 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | 68.7 | 134 | 132.6 | -56.4 | -11.5 | 0 | 0 | 0 | 120.3 | ||||
| 717 | G | 29.3 | Very low | 28.8 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -171.6 | -29.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 718 | N | 29.7 | Very low | 28.7 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 55.9 | 123.7 | 175.6 | -79.3 | 1.6 | 0 | 0 | 0 | 120 | ||||
| 719 | N | 30.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | trans | 70.1 | 145.8 | 133.2 | -56.6 | -6.7 | 0 | 0 | 0 | 120.1 | ||||
| 720 | N | 29.6 | Very low | 28.3 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | cis | -165.6 | 161.8 | -13.7 | -110.3 | -13.5 | 0 | 0 | 0 | 111.4 | ||||
| 721 | N | 32.5 | Very low | 28 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 71.3 | 149.4 | 160.1 | -54.7 | -26.4 | 0 | 0 | 0 | 119.3 | ||||
| 722 | N | 28.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | cis | -171.5 | 141.3 | -43.4 | -128 | -14.2 | 0 | 0 | 0 | 109.8 | ||||
| 723 | I | 29.9 | Very low | 27.5 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -169.4 | 142.8 | 140.2 | -101.2 | 155.7 | 0 | 0 | 0 | 109.2 | ||||
| 724 | H | 30 | Very low | 27.2 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -59.2 | 141.9 | -158.7 | -77.3 | -99.1 | 0 | 0 | 0 | 118.7 | ||||
| 725 | S | 21.9 | Very low | 26.9 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -135.5 | 148.5 | 136.5 | 66.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 726 | T | 27.9 | Very low | 26.5 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -146.7 | 125.5 | 172.7 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 727 | T | 23.5 | Very low | 26.2 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -107.9 | 156.7 | -177.3 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 728 | S | 25.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -154.6 | 142.5 | 146.7 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 729 | F | 22.3 | Very low | 25.8 | Very low | 191 Ų | 191 | 149.4 Ų | 149.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -131.5 | 148.9 | 169.3 | -116.5 | -83 | 0 | 0 | 0 | 106.2 | ||||
| 730 | N | 24.1 | Very low | 25.7 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -167.2 | 151.5 | 147.5 | -106.8 | -34.1 | 0 | 0 | 0 | 113.1 | ||||
| 731 | Y | 23.1 | Very low | 25.6 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -101.6 | 152.5 | 177.7 | -107.7 | -97.6 | 0 | 0 | 0 | 111.1 | ||||
| 732 | T | 23.9 | Very low | 25.3 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -171.3 | 178.3 | 132 | 15.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 733 | N | 24.3 | Very low | 25.2 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -126.5 | 151.1 | -142.9 | -146.1 | -8.9 | 0 | 0 | 0 | 115.6 | ||||
| 734 | Q | 23.4 | Very low | 24.8 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | 54.3 | 109 | 164.1 | -56.1 | -174.8 | 2.7 | 0 | 0 | 120.4 | ||||
| 735 | N | 23.6 | Very low | 24.4 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | -170.6 | 175 | 103.6 | -108.3 | -72.6 | 0 | 0 | 0 | 115.2 | |||||
| 736 | K | 23.2 | Very low | 24.6 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -57.8 | 161 | 178.8 | -61.2 | 162.4 | -177 | 172 | 0 | 113.1 | ||||
| 737 | S | 24 | Very low | 24.4 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | cis | -162.5 | 164.7 | 12.9 | 17.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 738 | Y | 24.3 | Very low | 24.2 | Very low | 220 Ų | 220 | 151.3 Ų | 151.3 | 86% | 0.863 | 79% | 0.792 | S | S | * | * | trans | -61.6 | 160.9 | 168.6 | -64.3 | -89.7 | 0 | 0 | 0 | 114.1 | ||||
| 739 | P | 27.7 | Very low | 24.2 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -131.6 | 167.8 | 86.4 | 39.3 | -30.6 | 0 | 0 | 0 | 113 | |||||
| 740 | S | 27 | Very low | 24.1 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | cis | -155.7 | 129.9 | -11.3 | 35.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 741 | S | 27.9 | Very low | 24.1 | Very low | 107 Ų | 107 | 153 Ų | 153 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | S | Bend | 167.5 | 147.9 | 89.7 | 39.8 | 0 | 0 | 0 | 0 | 107.8 | |||
| 742 | I | 26.1 | Very low | 24.2 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | cis | -141.9 | 141.1 | -15.1 | -87.4 | 148.8 | 0 | 0 | 0 | 106.4 | ||||
| 743 | P | 25.8 | Very low | 24.1 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -117.8 | 152 | 177.8 | 39 | -29.6 | 0 | 0 | 0 | 116.3 | ||||
| 744 | F | 22 | Very low | 24.1 | Very low | 191 Ų | 191 | 154 Ų | 154 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 76.1 | 141.6 | 148.5 | -103.1 | -96.2 | 0 | 0 | 0 | 123.4 | ||||
| 745 | N | 22.1 | Very low | 24.1 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 83.3 | 151.2 | 155.2 | -85 | -17.8 | 0 | 0 | 0 | 122.6 | ||||
| 746 | Q | 24.4 | Very low | 24 | Very low | 164 Ų | 164 | 152 Ų | 152 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | 69.8 | 131.3 | 173.2 | -77.9 | 172 | -30.7 | 0 | 0 | 116.4 | ||||
| 747 | F | 23.7 | Very low | 24 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | cis | -132 | 154.4 | 3.5 | -105.2 | -84.7 | 0 | 0 | 0 | 112.7 | ||||
| 748 | T | 21 | Very low | 23.9 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -93.2 | 138.9 | 156 | 47.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 749 | E | 24.4 | Very low | 23.8 | Very low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -166.7 | 141.3 | 142.5 | -114.4 | 163.3 | -148 | 0 | 0 | 110.7 | ||||
| 750 | D | 21.1 | Very low | 23.6 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -80.1 | 156.3 | 173.2 | -61.2 | -79.6 | 0 | 0 | 0 | 111.1 | ||||
| 751 | F | 22.5 | Very low | 23.4 | Very low | 185 Ų | 185 | 157.7 Ų | 157.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | -178.9 | 142.1 | 118.3 | -101.8 | -66.2 | 0 | 0 | 0 | 114.6 | |||||
| 752 | H | 25.3 | Very low | 23.2 | Very low | 163 Ų | 163 | 160 Ų | 160 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 58.9 | 106.4 | 155.6 | -68.5 | -49 | 0 | 0 | 0 | 122.4 | ||||
| 753 | Y | 21.8 | Very low | 23.2 | Very low | 184 Ų | 184 | 161 Ų | 161 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | -9.5 | 134.2 | 129.5 | -104.2 | -103.4 | 0 | 0 | 0 | 117.3 | |||||
| 754 | N | 25.1 | Very low | 23.2 | Very low | 161 Ų | 161 | 163.9 Ų | 163.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | -161.4 | 152.7 | 113.9 | -113.9 | -35.1 | 0 | 0 | 0 | 113.6 | |||||
| 755 | N | 23.5 | Very low | 23.7 | Very low | 131 Ų | 131 | 159.8 Ų | 159.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -87.2 | 150.9 | -176.8 | -73.8 | -31.3 | 0 | 0 | 0 | 113.3 | ||||
| 756 | S | 22.2 | Very low | 24.1 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -167.1 | 151.3 | 131.1 | 16.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 757 | Y | 22 | Very low | 24.6 | Very low | 221 Ų | 221 | 153 Ų | 153 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -72 | 150.9 | 176.4 | -76.7 | -114.2 | 0 | 0 | 0 | 111.7 | ||||
| 758 | T | 22.5 | Very low | 25.4 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | -178.1 | 155.5 | 109.4 | 25 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 759 | N | 21.6 | Very low | 26.3 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | -37.5 | 138.9 | 176.9 | -50.8 | -19.3 | 0 | 0 | 0 | 116.2 | ||||
| 760 | N | 24.4 | Very low | 27.2 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 70% | 0.7 | S | S | * | * | -156.9 | 146.7 | 115.4 | -112.2 | -37.7 | 0 | 0 | 0 | 113.5 | |||||
| 761 | R | 22.8 | Very low | 27.7 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 75% | 0.751 | 68% | 0.678 | S | S | * | * | trans | -75.1 | 139.2 | 172.1 | -66.2 | 170.7 | 171.8 | 153.2 | -5.6 | 109.5 | ||||
| 762 | N | 23.5 | Very low | 28.2 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | trans | 167.8 | 91.7 | 142 | -87.6 | -18.5 | 0 | 0 | 0 | 110.9 | ||||
| 763 | H | 26 | Very low | 28.5 | Very low | 184 Ų | 184 | 128 Ų | 128 | 85% | 0.852 | 67% | 0.669 | S | S | * | * | trans | -130.2 | 135.1 | 161.8 | -83.3 | -64.3 | 0 | 0 | 0 | 110 | I765 | H763-I765 PolarHBondContact O-N 2.75Š| ||
| 764 | L | 24.4 | Very low | 28.9 | Very low | 171 Ų | 171 | 124.1 Ų | 124.1 | 90% | 0.895 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 121.4 | 168.9 | -80.3 | 66.2 | 0 | 0 | 0 | 107.8 | ||
| 765 | I | 33 | Very low | 29 | Very low | 106 Ų | 106 | 120 Ų | 120 | 54% | 0.544 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -94.3 | 122.9 | 170 | -57.1 | 177.6 | 0 | 0 | 0 | 107.4 | H763 I796 | H763-I765 PolarHBondContact O-N 2.75Å; I765-I796 HydrophobicContact CD1-CG2 4.25Å |
| 766 | T | 30.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 139.8 | 174.7 | 50 | 0 | 0 | 0 | 0 | 110.3 | L768 | T766-L768 PolarHBondContact O-N 3.31Š|
| 767 | P | 35.4 | Very low | 29.3 | Very low | 53 Ų | 53 | 120.6 Ų | 120.6 | 34% | 0.344 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 134.2 | -176.7 | 24.5 | -34.3 | 0 | 0 | 0 | 112.1 | T769 D804 | P767-T769 PolarHBondContact O-N 3.35Å; P767-T769 VanDerWaalsContact O-N 3.07Å; P767-D804 HydrophobicContact CB-CB 3.96Å; P767-D804 HydrophobicContact CG-CB 3.92Å |
| 768 | L | 39.9 | Very low | 29.5 | Very low | 88 Ų | 88 | 115.3 Ų | 115.3 | 46% | 0.461 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 89.7 | -169.7 | -158.9 | 79 | 0 | 0 | 0 | 111.2 | T766 I770 T806 S808 | T766-L768 PolarHBondContact O-N 3.31Å; L768-I770 HydrophobicContact CD2-CD1 4.01Å; L768-I770 HydrophobicContact CD2-CG1 4.26Å; L768-I770 HydrophobicContact CG-CG1 4.34Å; L768-I770 PolarHBondContact O-N 3.17Å; L768-T806 PolarHBondContact N-O 3.36Å; L768-S808 PolarHBondContact O-N 2.8Å |
| 769 | T | 39.9 | Very low | 29.5 | Very low | 67 Ų | 67 | 120 Ų | 120 | 41% | 0.411 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.9 | 107.1 | 170.2 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | P767 K810 | P767-T769 PolarHBondContact O-N 3.35Å; P767-T769 VanDerWaalsContact O-N 3.07Å; T769-K810 HydrophobicContact CG2-CD 3.83Å; T769-K810 VanDerWaalsContact CG2-NZ 3.25Å |
| 770 | I | 43.9 | Very low | 29.7 | Very low | 21 Ų | 21 | 120.6 Ų | 120.6 | 11% | 0.108 | 63% | 0.633 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.3 | 170.7 | -62.3 | 168.8 | 0 | 0 | 0 | 108 | L768 L774 S808 F809 K810 | L768-I770 HydrophobicContact CD2-CD1 4.01Å; L768-I770 HydrophobicContact CD2-CG1 4.26Å; L768-I770 HydrophobicContact CG-CG1 4.34Å; L768-I770 PolarHBondContact O-N 3.17Å; I770-L774 HydrophobicContact CG2-CD1 4.3Å; I770-L774 HydrophobicContact CG2-CD2 3.99Å; I770-L774 HydrophobicContact CG2-CG 4.24Å; I770-S808 PolarHBondContact N-O 2.92Å; I770-F809 HydrophobicContact CB-CD1 4.06Å; I770-F809 HydrophobicContact CB-CE1 4.46Å; I770-F809 HydrophobicContact CD1-CD1 4Å; I770-F809 HydrophobicContact CD1-CE1 3.54Å; I770-F809 HydrophobicContact CD1-CZ 4.06Å; I770-F809 HydrophobicContact CG2-CD1 4.06Å; I770-F809 HydrophobicContact CG2-CE1 4.46Å; I770-F809 CarbonylContact O-C 3.56Å; I770-F809 WeakPolarHBondContact O-CA 3.33Å; I770-K810 PolarHBondContact O-N 3.46Å |
| 771 | G | 31.4 | Very low | 29.7 | Very low | 32 Ų | 32 | 122 Ų | 122 | 33% | 0.33 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.1 | 115.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D773 | G771-D773 PolarHBondContact O-N 2.88Å |
| 772 | T | 33.8 | Very low | 29.8 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 72% | 0.724 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 50.2 | -15.2 | 162.6 | 49.9 | 0 | 0 | 0 | 0 | 121.8 | K810 | T772-K810 PolarHBondContact N-O 3.11Š|
| 773 | D | 30.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 65% | 0.647 | 64% | 0.636 | S | S | * | * | trans | -145.8 | 79.4 | -174.9 | -146.5 | -40.3 | 0 | 0 | 0 | 111.2 | G771 S775 | G771-D773 PolarHBondContact O-N 2.88Å; D773-S775 PolarHBondContact O-N 3.14Å; D773-S775 PolarHBondContact OD1-OG 2.89Å | ||
| 774 | L | 31.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | 34.2 | -173.9 | -88.2 | 165.1 | 0 | 0 | 0 | 114.2 | I770 L788 | I770-L774 HydrophobicContact CG2-CD1 4.3Å; I770-L774 HydrophobicContact CG2-CD2 3.99Å; I770-L774 HydrophobicContact CG2-CG 4.24Å; L774-L788 HydrophobicContact CD1-CD1 3.87Å; L774-L788 HydrophobicContact CD2-CD1 4.22Å |
| 775 | S | 26.7 | Very low | 30.1 | Very low | 73 Ų | 73 | 116.1 Ų | 116.1 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95 | -9.2 | -173.4 | 53.9 | 0 | 0 | 0 | 0 | 115 | D773 | D773-S775 PolarHBondContact O-N 3.14Å; D773-S775 PolarHBondContact OD1-OG 2.89Å |
| 776 | N | 25.7 | Very low | 30 | Very low | 139 Ų | 139 | 116.2 Ų | 116.2 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -132.8 | 3.4 | -165.8 | -81.5 | -74.4 | 0 | 0 | 0 | 117.6 | ||
| 777 | I | 26.5 | Very low | 30.2 | Very low | 128 Ų | 128 | 113.9 Ų | 113.9 | 66% | 0.656 | 60% | 0.596 | S | S | * | * | trans | -110.9 | 60.6 | 179 | -46.2 | -177.1 | 0 | 0 | 0 | 111.2 | ||||
| 778 | T | 26.1 | Very low | 30.4 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 68% | 0.675 | 60% | 0.597 | S | S | * | * | trans | -138.5 | 62.7 | 170.2 | 39.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 779 | R | 23.3 | Very low | 30.5 | Very low | 234 Ų | 234 | 113.6 Ų | 113.6 | 88% | 0.883 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -129.5 | 132.6 | 159.2 | -70.3 | -173 | 179.5 | 125.4 | 3.3 | 108.1 | ||
| 780 | N | 24.4 | Very low | 31 | Very low | 156 Ų | 156 | 111.4 Ų | 111.4 | 83% | 0.834 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 69.7 | 56.6 | -174.3 | -51.6 | -10.2 | 0 | 0 | 0 | 115.2 | ||
| 781 | H | 26 | Very low | 30.8 | Very low | 195 Ų | 195 | 114.6 Ų | 114.6 | 90% | 0.903 | 59% | 0.592 | S | S | * | * | -155.1 | 152.8 | 117.2 | -108 | -88.5 | 0 | 0 | 0 | 108.6 | |||||
| 782 | K | 24 | Very low | 31.3 | Very low | 189 Ų | 189 | 120 Ų | 120 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | trans | -105.6 | 103.8 | 179.2 | -79.6 | -176 | 178.3 | 177.6 | 0 | 109.9 | ||||
| 783 | N | 24.1 | Very low | 31.8 | Very low | 147 Ų | 147 | 117.2 Ų | 117.2 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | S | Bend | 163.3 | 147 | 127.4 | -80.3 | -14.5 | 0 | 0 | 0 | 110.3 | |||
| 784 | N | 27 | Very low | 32.2 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 65% | 0.647 | 60% | 0.598 | S | S | * | * | trans | 61 | 158.8 | 170.8 | -64.5 | 1.8 | 0 | 0 | 0 | 119.1 | ||||
| 785 | H | 28.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 115.1 Ų | 115.1 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | trans | -132.1 | 101.5 | 175.1 | -100.2 | -67 | 0 | 0 | 0 | 104.8 | ||||
| 786 | D | 30.9 | Very low | 33.4 | Very low | 108 Ų | 108 | 113.7 Ų | 113.7 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | trans | -129.3 | -178.6 | 171.6 | -64.2 | -71.3 | 0 | 0 | 0 | 107.5 | ||||
| 787 | D | 35.5 | Very low | 34.1 | Very low | 60 Ų | 60 | 113.1 Ų | 113.1 | 32% | 0.321 | 56% | 0.564 | S | S | . | * | trans | -65.9 | 163.9 | 177.1 | -72 | -87.8 | 0 | 0 | 0 | 112 | K676 D789 | K676-D787 WeakPolarHBondContact CE-OD1 3.4Å; K676-D787 WeakPolarHBondContact CE-OD2 3.39Å; K676-D787 IonicContact NZ-OD1 2.73Å; K676-D787 PolarHBondContact NZ-OD1 3.43Å; K676-D787 IonicContact NZ-OD2 3.27Å; K676-D787 PolarHBondContact NZ-OD2 3.4Å; D787-D789 PolarHBondContact O-N 2.85Å | ||
| 788 | L | 40.3 | Very low | 34.9 | Very low | 71 Ų | 71 | 108.7 Ų | 108.7 | 37% | 0.372 | 54% | 0.54 | S | S | . | . | trans | -82.3 | 62.7 | 178 | -82.3 | 168.7 | 0 | 0 | 0 | 111.4 | L774 F815 | L774-L788 HydrophobicContact CD1-CD1 3.87Å; L774-L788 HydrophobicContact CD2-CD1 4.22Å; L788-F815 HydrophobicContact CB-CE1 4.32Å | ||
| 789 | D | 41.9 | Very low | 35.6 | Very low | 65 Ų | 65 | 110.1 Ų | 110.1 | 35% | 0.348 | 54% | 0.539 | S | S | . | . | trans | -67.4 | 132.8 | 158.3 | -55.4 | 8.7 | 0 | 0 | 0 | 107.9 | D787 H791 | D787-D789 PolarHBondContact O-N 2.85Å; D789-H791 VanDerWaalsContact C-N 3.3Å; D789-H791 WeakPolarHBondContact CB-CD2 3.16Å; D789-H791 WeakPolarHBondContact CB-NE2 3.23Å; D789-H791 PolarHBondContact O-N 2.88Å; D789-H791 IonicContact OD2-CD2 3.65Å; D789-H791 IonicContact OD2-CE1 3.8Å; D789-H791 IonicContact OD2-NE2 2.59Å; D789-H791 PolarHBondContact OD2-NE2 3.31Å | ||
| 790 | I | 49.2 | Very low | 36.5 | Very low | 20 Ų | 20 | 104.7 Ų | 104.7 | 10% | 0.103 | 53% | 0.528 | C | S | . | . | trans | -91.1 | 63.5 | 179.2 | -53.8 | 173.7 | 0 | 0 | 0 | 109.7 | L793 F809 I818 I819 L822 | I790-L793 HydrophobicContact CG2-CB 4.48Å; I790-L793 HydrophobicContact CG2-CD1 3.32Å; I790-L793 HydrophobicContact CG2-CG 3.54Å; I790-F809 HydrophobicContact CD1-CE2 4Å; I790-F809 HydrophobicContact CD1-CZ 3.9Å; I790-I818 WeakPolarHBondContact CB-O 3.36Å; I790-I818 HydrophobicContact CD1-CG2 3.95Å; I790-I818 HydrophobicContact CG1-CG2 4.21Å; I790-I818 VanDerWaalsContact CG1-O 3.25Å; I790-I818 WeakPolarHBondContact CG1-O 3.25Å; I790-I818 PolarHBondContact N-O 3.48Å; I790-I819 HydrophobicContact CD1-CG1 4.23Å; I790-L822 HydrophobicContact CG2-CD2 4.22Å | ||
| 791 | H | 40.2 | Very low | 37.5 | Very low | 89 Ų | 89 | 101.8 Ų | 101.8 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | trans | -75 | 150.1 | 168.7 | -59.8 | -65.7 | 0 | 0 | 0 | 110.8 | D789 L793 | D789-H791 VanDerWaalsContact C-N 3.3Å; D789-H791 WeakPolarHBondContact CB-CD2 3.16Å; D789-H791 WeakPolarHBondContact CB-NE2 3.23Å; D789-H791 PolarHBondContact O-N 2.88Å; D789-H791 IonicContact OD2-CD2 3.65Å; D789-H791 IonicContact OD2-CE1 3.8Å; D789-H791 IonicContact OD2-NE2 2.59Å; D789-H791 PolarHBondContact OD2-NE2 3.31Å; H791-L793 PolarHBondContact O-N 2.98Å | ||
| 792 | D | 41.7 | Very low | 38.4 | Very low | 144 Ų | 144 | 96.4 Ų | 96.4 | 77% | 0.77 | 49% | 0.487 | S | S | * | . | trans | 51.7 | 48.6 | 168 | -59.5 | -36.5 | 0 | 0 | 0 | 115.8 | D794 | D792-D794 VanDerWaalsContact C-N 3.27Å; D792-D794 PolarHBondContact O-N 3.14Å | ||
| 793 | L | 44.4 | Very low | 39.6 | Very low | 61 Ų | 61 | 93.9 Ų | 93.9 | 32% | 0.319 | 48% | 0.478 | S | S | . | . | trans | -74.8 | 79.5 | 168 | -88.8 | -173.3 | 0 | 0 | 0 | 111.9 | I790 H791 V807 L822 | I790-L793 HydrophobicContact CG2-CB 4.48Å; I790-L793 HydrophobicContact CG2-CD1 3.32Å; I790-L793 HydrophobicContact CG2-CG 3.54Å; H791-L793 PolarHBondContact O-N 2.98Å; L793-V807 HydrophobicContact CD1-CG2 4.27Å; L793-L822 HydrophobicContact CB-CD2 4.14Å; L793-L822 HydrophobicContact CD1-CD2 4.08Å | ||
| 794 | D | 39.2 | Very low | 40.8 | Very low | 139 Ų | 139 | 91 Ų | 91 | 74% | 0.743 | 46% | 0.463 | S | S | * | . | trans | -20.2 | 113 | 166.6 | -112 | -23.7 | 0 | 0 | 0 | 112.4 | D792 I796 | D792-D794 VanDerWaalsContact C-N 3.27Å; D792-D794 PolarHBondContact O-N 3.14Å; D794-I796 WeakPolarHBondContact O-CG1 3.08Å; D794-I796 PolarHBondContact O-N 3.15Å | ||
| 795 | P | 40.7 | Very low | 42 | Very low | 42 Ų | 42 | 85.6 Ų | 85.6 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | trans | -53.3 | 99 | -173.1 | -33.2 | 37.3 | 0 | 0 | 0 | 114.1 | H797 D823 | P795-H797 PolarHBondContact O-N 2.75Å; P795-D823 WeakPolarHBondContact CD-OD2 3.36Å; P795-D823 HydrophobicContact CG-CB 4.17Å; P795-D823 VanDerWaalsContact CG-OD2 3.26Å; P795-D823 WeakPolarHBondContact CG-OD2 3.33Å | ||
| 796 | I | 42.5 | Very low | 43.3 | Very low | 43 Ų | 43 | 80.7 Ų | 80.7 | 22% | 0.221 | 41% | 0.413 | C | S | . | . | trans | -72.2 | 101.2 | -167.1 | -49.6 | -176.8 | 0 | 0 | 0 | 110.4 | I765 D794 H798 T806 H827 | I765-I796 HydrophobicContact CD1-CG2 4.25Å; D794-I796 WeakPolarHBondContact O-CG1 3.08Å; D794-I796 PolarHBondContact O-N 3.15Å; I796-H798 PolarHBondContact O-N 3.25Å; I796-T806 HydrophobicContact CD1-CG2 3.78Å; I796-H827 PolarHBondContact O-CE1 2.88Å; I796-H827 PolarHBondContact O-ND1 3.43Å | ||
| 797 | H | 40.4 | Very low | 44.8 | Very low | 126 Ų | 126 | 76.1 Ų | 76.1 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | trans | -70 | 71.2 | 173.3 | -80.4 | -34.3 | 0 | 0 | 0 | 112.9 | P795 Q799 H826 | P795-H797 PolarHBondContact O-N 2.75Å; H797-Q799 PolarHBondContact O-N 3.24Å; H797-H826 PolarHBondContact ND1-O 2.95Å | ||
| 798 | H | 42 | Very low | 46.2 | Very low | 36 Ų | 36 | 73.3 Ų | 73.3 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | trans | -67.6 | 110.1 | 166.2 | -75.8 | -56.2 | 0 | 0 | 0 | 110.6 | I796 H827 | I796-H798 PolarHBondContact O-N 3.25Å; H798-H827 AromaticContact CD2-CE1 3.75Å | ||
| 799 | Q | 42.1 | Very low | 47.4 | Very low | 140 Ų | 140 | 70.2 Ų | 70.2 | 65% | 0.654 | 36% | 0.358 | S | S | * | . | trans | -90.2 | 2.5 | 175.2 | -67.5 | -165.4 | -47.1 | 0 | 0 | 114.2 | H797 N829 | H797-Q799 PolarHBondContact O-N 3.24Å; Q799-N829 PolarHBondContact O-ND2 3.03Å | ||
| 800 | N | 42.8 | Very low | 48.5 | Very low | 120 Ų | 120 | 71.2 Ų | 71.2 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -135.5 | 147.6 | 179.7 | -67.6 | -53.9 | 0 | 0 | 0 | 110.8 | ||
| 801 | N | 44.8 | Very low | 48.8 | Very low | 95 Ų | 95 | 72.8 Ų | 72.8 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | trans | -66.1 | 136.4 | 179.2 | -54.8 | 10 | 0 | 0 | 0 | 111.3 | ||||
| 802 | H | 45.5 | Very low | 49.7 | Very low | 81 Ų | 81 | 69.2 Ų | 69.2 | 38% | 0.375 | 36% | 0.356 | S | S | . | . | trans | -123.7 | 149.5 | 173 | -86.7 | -97.1 | 0 | 0 | 0 | 111.7 | ||||
| 803 | H | 49.4 | Very low | 50.5 | Low | 136 Ų | 136 | 66.2 Ų | 66.2 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -112.7 | 44.2 | 178 | -66.3 | -72.3 | 0 | 0 | 0 | 111 | H832 D833 | H803-H832 AromaticContact CE1-CD2 3.78Å; H803-D833 VanDerWaalsContact C-OD2 3.25Å |
| 804 | D | 47.5 | Very low | 51.1 | Low | 88 Ų | 88 | 68.6 Ų | 68.6 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -152 | 147 | 174.4 | -99.4 | -56.9 | 0 | 0 | 0 | 108.2 | P767 | P767-D804 HydrophobicContact CB-CB 3.96Å; P767-D804 HydrophobicContact CG-CB 3.92Å |
| 805 | P | 53.3 | Low | 51.9 | Low | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | trans | -65.3 | 137.9 | 173.5 | 28.3 | -37.2 | 0 | 0 | 0 | 111.9 | V807 P834 | P805-V807 VanDerWaalsContact C-N 3.3Å; P805-V807 PolarHBondContact O-N 3.17Å; P805-P834 WeakPolarHBondContact CA-O 3.43Å; P805-P834 WeakPolarHBondContact CB-O 3.12Å | ||
| 806 | T | 55.9 | Low | 52.5 | Low | 25 Ų | 25 | 64 Ų | 64 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -55.9 | -45.4 | 179.3 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | L768 I796 I835 | L768-T806 PolarHBondContact N-O 3.36Å; I796-T806 HydrophobicContact CD1-CG2 3.78Å; T806-I835 WeakPolarHBondContact CB-O 3.23Å; T806-I835 PolarHBondContact N-O 3.15Å |
| 807 | V | 61.2 | Low | 52.9 | Low | 11 Ų | 11 | 64.4 Ų | 64.4 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.8 | 172 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | L793 P805 F809 I835 V836 S837 | L793-V807 HydrophobicContact CD1-CG2 4.27Å; P805-V807 VanDerWaalsContact C-N 3.3Å; P805-V807 PolarHBondContact O-N 3.17Å; V807-F809 HydrophobicContact CG1-CD2 4.16Å; V807-F809 HydrophobicContact CG1-CE2 3.54Å; V807-F809 HydrophobicContact CG1-CZ 3.94Å; V807-I835 PolarHBondContact N-O 3.07Å; V807-V836 WeakPolarHBondContact O-CA 3.2Å; V807-S837 PolarHBondContact O-N 3.15Å |
| 808 | S | 65.5 | Low | 53.7 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 121.3 | 172.9 | -168.3 | 0 | 0 | 0 | 0 | 114.1 | L768 I770 S837 K839 | L768-S808 PolarHBondContact O-N 2.8Å; I770-S808 PolarHBondContact N-O 2.92Å; S808-S837 CarbonylContact C-O 3.56Å; S808-S837 WeakPolarHBondContact CA-O 3.44Å; S808-S837 WeakPolarHBondContact CB-O 3.42Å; S808-S837 PolarHBondContact OG-O 3.19Å; S808-K839 PolarHBondContact OG-NZ 2.82Å |
| 809 | F | 64.8 | Low | 54.5 | Low | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.3 | 175.3 | -59 | -92.5 | 0 | 0 | 0 | 110.5 | I770 I790 V807 P812 I818 V836 S837 F838 K839 | I770-F809 HydrophobicContact CB-CD1 4.06Å; I770-F809 HydrophobicContact CB-CE1 4.46Å; I770-F809 HydrophobicContact CD1-CD1 4Å; I770-F809 HydrophobicContact CD1-CE1 3.54Å; I770-F809 HydrophobicContact CD1-CZ 4.06Å; I770-F809 HydrophobicContact CG2-CD1 4.06Å; I770-F809 HydrophobicContact CG2-CE1 4.46Å; I770-F809 CarbonylContact O-C 3.56Å; I770-F809 WeakPolarHBondContact O-CA 3.33Å; I790-F809 HydrophobicContact CD1-CE2 4Å; I790-F809 HydrophobicContact CD1-CZ 3.9Å; V807-F809 HydrophobicContact CG1-CD2 4.16Å; V807-F809 HydrophobicContact CG1-CE2 3.54Å; V807-F809 HydrophobicContact CG1-CZ 3.94Å; F809-P812 HydrophobicContact CB-CB 4.38Å; F809-P812 HydrophobicContact CB-CG 3.89Å; F809-I818 HydrophobicContact CZ-CG2 4.4Å; F809-V836 HydrophobicContact CE2-CG1 4.39Å; F809-S837 PolarHBondContact N-O 3.33Å; F809-F838 HydrophobicContact CB-CD1 3.79Å; F809-F838 HydrophobicContact CB-CE1 4.24Å; F809-F838 AromaticContact CD2-CD1 3.54Å; F809-F838 HydrophobicContact CD2-CD1 3.54Å; F809-F838 AromaticContact CD2-CE1 3.21Å; F809-F838 HydrophobicContact CD2-CE1 3.21Å; F809-F838 HydrophobicContact CD2-CG 4.34Å; F809-F838 AromaticContact CD2-CZ 3.79Å; F809-F838 HydrophobicContact CD2-CZ 3.79Å; F809-F838 HydrophobicContact CE2-CD1 4.35Å; F809-F838 AromaticContact CE2-CE1 3.56Å; F809-F838 HydrophobicContact CE2-CE1 3.56Å; F809-F838 AromaticContact CE2-CZ 3.8Å; F809-F838 HydrophobicContact CE2-CZ 3.8Å; F809-F838 AromaticContact CG-CD1 3.85Å; F809-F838 HydrophobicContact CG-CD1 3.85Å; F809-F838 AromaticContact CG-CE1 3.76Å; F809-F838 HydrophobicContact CG-CE1 3.76Å; F809-F838 HydrophobicContact CZ-CE1 4.36Å; F809-K839 PolarHBondContact O-N 2.79Å |
| 810 | K | 64.8 | Low | 55 | Low | 87 Ų | 87 | 51.4 Ų | 51.4 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.3 | 178.8 | -65.9 | 173.9 | -176.5 | 163.7 | 0 | 110.2 | T769 I770 T772 P812 K839 | T769-K810 HydrophobicContact CG2-CD 3.83Å; T769-K810 VanDerWaalsContact CG2-NZ 3.25Å; I770-K810 PolarHBondContact O-N 3.46Å; T772-K810 PolarHBondContact N-O 3.11Å; K810-P812 VanDerWaalsContact C-CD 3.46Å; K810-K839 HydrophobicContact CG-CD 4.42Å |
| 811 | S | 57.3 | Low | 55.4 | Low | 53 Ų | 53 | 50 Ų | 50 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 48.3 | 49.8 | -174.1 | -50.9 | 0 | 0 | 0 | 0 | 115.6 | K839 S840 | S811-K839 PolarHBondContact N-O 3.06Å; S811-S840 WeakPolarHBondContact OG-CB 3.21Å |
| 812 | P | 58.1 | Low | 55.8 | Low | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | trans | -73.3 | 147 | 173.6 | 37.2 | -38.5 | 0 | 0 | 0 | 110.6 | F809 K810 F815 F838 P841 N842 F844 | F809-P812 HydrophobicContact CB-CB 4.38Å; F809-P812 HydrophobicContact CB-CG 3.89Å; K810-P812 VanDerWaalsContact C-CD 3.46Å; P812-F815 HydrophobicContact CB-CD2 4.14Å; P812-F815 HydrophobicContact CB-CE2 3.63Å; P812-F815 HydrophobicContact CB-CZ 4.36Å; P812-F838 HydrophobicContact CG-CD1 4.49Å; P812-P841 HydrophobicContact CG-CB 4.09Å; P812-P841 VanDerWaalsContact O-CA 3.32Å; P812-P841 WeakPolarHBondContact O-CA 3.15Å; P812-N842 PolarHBondContact O-N 2.81Å; P812-F844 HydrophobicContact CB-CZ 3.76Å; P812-F844 HydrophobicContact CG-CE1 4.49Å; P812-F844 HydrophobicContact CG-CE2 4.43Å; P812-F844 HydrophobicContact CG-CZ 3.68Å; P812-F844 WeakPolarHBondContact O-CE2 3.26Å; P812-F844 WeakPolarHBondContact O-CZ 3.41Å | ||
| 813 | N | 58.4 | Low | 56 | Low | 82 Ų | 82 | 45.8 Ų | 45.8 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.9 | -179.5 | -67.8 | -32.9 | 0 | 0 | 0 | 111.5 | F815 N842 | N813-F815 WeakPolarHBondContact O-CD2 3.41Å; N813-F815 WeakPolarHBondContact O-CE2 3.21Å; N813-N842 VanDerWaalsContact CA-O 3.31Å; N813-N842 WeakPolarHBondContact CA-O 3.49Å; N813-N842 WeakPolarHBondContact OD1-CB 3.38Å; N813-N842 PolarHBondContact OD1-ND2 2.73Å |
| 814 | N | 57.2 | Low | 55.9 | Low | 110 Ų | 110 | 40.6 Ų | 40.6 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 60.1 | 47.1 | 170.5 | -50.9 | -39.2 | 0 | 0 | 0 | 115.3 | N842 N843 | N814-N842 PolarHBondContact N-O 2.88Å; N814-N842 VanDerWaalsContact N-O 3.09Å; N814-N843 WeakPolarHBondContact CA-O 3.26Å; N814-N843 PolarHBondContact N-O 2.92Å; N814-N843 VanDerWaalsContact N-O 3.16Å; N814-N843 VanDerWaalsContact OD1-CB 3.28Å; N814-N843 WeakPolarHBondContact OD1-CB 3.25Å; N814-N843 PolarHBondContact OD1-ND2 3.19Å |
| 815 | F | 56.3 | Low | 56.1 | Low | 36 Ų | 36 | 37.9 Ų | 37.9 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 160.5 | 171 | -59.5 | -114.4 | 0 | 0 | 0 | 111.8 | L788 P812 N813 I818 F844 T845 | L788-F815 HydrophobicContact CB-CE1 4.32Å; P812-F815 HydrophobicContact CB-CD2 4.14Å; P812-F815 HydrophobicContact CB-CE2 3.63Å; P812-F815 HydrophobicContact CB-CZ 4.36Å; N813-F815 WeakPolarHBondContact O-CD2 3.41Å; N813-F815 WeakPolarHBondContact O-CE2 3.21Å; F815-I818 HydrophobicContact CB-CG1 4.33Å; F815-F844 HydrophobicContact CB-CD1 3.69Å; F815-F844 HydrophobicContact CB-CE1 3.47Å; F815-F844 VanDerWaalsContact CB-CE1 3.47Å; F815-F844 HydrophobicContact CB-CZ 4.36Å; F815-F844 AromaticContact CD2-CE1 3.56Å; F815-F844 HydrophobicContact CD2-CE1 3.56Å; F815-F844 AromaticContact CD2-CZ 3.67Å; F815-F844 HydrophobicContact CD2-CZ 3.67Å; F815-F844 HydrophobicContact CE2-CZ 4.46Å; F815-F844 AromaticContact CG-CE1 3.81Å; F815-F844 HydrophobicContact CG-CE1 3.81Å; F815-F844 HydrophobicContact CG-CZ 4.38Å; F815-F844 WeakPolarHBondContact O-CA 3.25Å; F815-T845 PolarHBondContact O-N 2.61Å |
| 816 | T | 53.5 | Low | 55.7 | Low | 50 Ų | 50 | 42.5 Ų | 42.5 | 31% | 0.307 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148 | 174.4 | 49 | 0 | 0 | 0 | 0 | 108.6 | I818 T845 | T816-I818 PolarHBondContact O-N 3.05Å; T816-T845 VanDerWaalsContact CA-O 3.29Å; T816-T845 WeakPolarHBondContact CA-O 3.25Å |
| 817 | N | 50.9 | Low | 55.4 | Low | 51 Ų | 51 | 41.8 Ų | 41.8 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | trans | 57.1 | 47.9 | 169.5 | -66.3 | 50.7 | 0 | 0 | 0 | 114.3 | H820 T845 N846 | N817-H820 PolarHBondContact ND2-NE2 2.72Å; N817-T845 PolarHBondContact N-O 3.41Å; N817-N846 WeakPolarHBondContact CA-O 3.37Å; N817-N846 PolarHBondContact N-O 2.92Å; N817-N846 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 818 | I | 56.6 | Low | 54.8 | Low | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | trans | -69.1 | -40.8 | -174.8 | -34.1 | 178 | 0 | 0 | 0 | 112.2 | I790 F809 F815 T816 F838 F844 I847 | I790-I818 WeakPolarHBondContact CB-O 3.36Å; I790-I818 HydrophobicContact CD1-CG2 3.95Å; I790-I818 HydrophobicContact CG1-CG2 4.21Å; I790-I818 VanDerWaalsContact CG1-O 3.25Å; I790-I818 WeakPolarHBondContact CG1-O 3.25Å; I790-I818 PolarHBondContact N-O 3.48Å; F809-I818 HydrophobicContact CZ-CG2 4.4Å; F815-I818 HydrophobicContact CB-CG1 4.33Å; T816-I818 PolarHBondContact O-N 3.05Å; I818-F838 HydrophobicContact CD1-CD1 4.32Å; I818-F838 HydrophobicContact CD1-CE1 3.46Å; I818-F838 VanDerWaalsContact CD1-CE1 3.46Å; I818-F838 HydrophobicContact CD1-CZ 3.75Å; I818-F838 HydrophobicContact CG2-CE1 4.16Å; I818-F838 HydrophobicContact CG2-CZ 4.07Å; I818-F844 HydrophobicContact CD1-CD1 3.52Å; I818-F844 HydrophobicContact CD1-CE1 3.52Å; I818-F844 HydrophobicContact CG1-CD1 4.18Å; I818-F844 HydrophobicContact CG1-CE1 4.38Å; I818-I847 HydrophobicContact CD1-CG2 3.81Å; I818-I847 HydrophobicContact CG1-CG2 4.25Å | ||
| 819 | I | 57.9 | Low | 54.1 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -119 | 117 | -174.8 | -67.3 | 167.7 | 0 | 0 | 0 | 108.4 | I790 L822 F838 I847 I848 H849 L851 | I790-I819 HydrophobicContact CD1-CG1 4.23Å; I819-L822 HydrophobicContact CD1-CD1 4.44Å; I819-L822 HydrophobicContact CG1-CD1 4.31Å; I819-L822 HydrophobicContact CG2-CB 4.45Å; I819-L822 HydrophobicContact CG2-CD1 3.52Å; I819-L822 HydrophobicContact CG2-CG 3.89Å; I819-F838 HydrophobicContact CD1-CE2 4.3Å; I819-F838 HydrophobicContact CD1-CZ 4.44Å; I819-I847 WeakPolarHBondContact CB-O 3.31Å; I819-I847 PolarHBondContact N-O 2.84Å; I819-I847 VanDerWaalsContact N-O 3.13Å; I819-I848 HydrophobicContact CB-CG1 4.36Å; I819-I848 HydrophobicContact CD1-CG1 4.11Å; I819-H849 PolarHBondContact O-N 3.5Å; I819-H849 VanDerWaalsContact O-N 3.1Å; I819-L851 HydrophobicContact CG2-CG 4.36Å |
| 820 | H | 54.2 | Low | 53.6 | Low | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.111 | 27% | 0.274 | C | S | . | . | trans | -136.2 | 154.2 | 167.2 | -81.1 | -94 | 0 | 0 | 0 | 106.9 | N817 L822 H849 D850 | N817-H820 PolarHBondContact ND2-NE2 2.72Å; H820-L822 VanDerWaalsContact C-N 3.33Å; H820-L822 PolarHBondContact O-N 2.65Å; H820-L822 VanDerWaalsContact O-N 3.15Å; H820-H849 WeakPolarHBondContact CA-O 3.34Å; H820-H849 WeakPolarHBondContact CE1-CB 3.28Å; H820-H849 AromaticContact CE1-CD2 3.81Å; H820-H849 AromaticContact CE1-CG 3.34Å; H820-H849 AromaticContact CE1-ND1 3.61Å; H820-H849 AromaticContact ND1-CG 3.88Å; H820-H849 AromaticContact ND1-ND1 3.9Å; H820-D850 IonicContact ND1-OD2 2.72Å; H820-D850 PolarHBondContact ND1-OD2 2.88Å | ||
| 821 | D | 50.8 | Low | 53 | Low | 90 Ų | 90 | 48.7 Ų | 48.7 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | trans | 48.8 | 45.3 | 166.7 | -57.5 | -20.9 | 0 | 0 | 0 | 114.6 | D823 D850 | D821-D823 PolarHBondContact O-N 2.89Å; D821-D850 PolarHBondContact N-O 2.83Å | ||
| 822 | L | 53 | Low | 53 | Low | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | trans | -78.3 | 83.3 | 179.3 | -96.2 | -174.2 | 0 | 0 | 0 | 112.5 | I790 L793 I819 H820 L851 | I790-L822 HydrophobicContact CG2-CD2 4.22Å; L793-L822 HydrophobicContact CB-CD2 4.14Å; L793-L822 HydrophobicContact CD1-CD2 4.08Å; I819-L822 HydrophobicContact CD1-CD1 4.44Å; I819-L822 HydrophobicContact CG1-CD1 4.31Å; I819-L822 HydrophobicContact CG2-CB 4.45Å; I819-L822 HydrophobicContact CG2-CD1 3.52Å; I819-L822 HydrophobicContact CG2-CG 3.89Å; H820-L822 VanDerWaalsContact C-N 3.33Å; H820-L822 PolarHBondContact O-N 2.65Å; H820-L822 VanDerWaalsContact O-N 3.15Å; L822-L851 HydrophobicContact CB-CD2 3.83Å; L822-L851 HydrophobicContact CD1-CD2 4.47Å | ||
| 823 | D | 49.7 | Very low | 53.2 | Low | 72 Ų | 72 | 51.5 Ų | 51.5 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | trans | -35.8 | 129.1 | 177.4 | -153.8 | 4 | 0 | 0 | 0 | 114.3 | P795 D821 I825 | P795-D823 WeakPolarHBondContact CD-OD2 3.36Å; P795-D823 HydrophobicContact CG-CB 4.17Å; P795-D823 VanDerWaalsContact CG-OD2 3.26Å; P795-D823 WeakPolarHBondContact CG-OD2 3.33Å; D821-D823 PolarHBondContact O-N 2.89Å; D823-I825 WeakPolarHBondContact O-CG1 3.3Å; D823-I825 PolarHBondContact O-N 3.38Å | ||
| 824 | P | 47.9 | Very low | 53.6 | Low | 27 Ų | 27 | 47.7 Ų | 47.7 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | trans | -56.3 | 101 | -172.5 | -31 | 37.6 | 0 | 0 | 0 | 116 | H826 D852 | P824-H826 PolarHBondContact O-N 2.79Å; P824-D852 HydrophobicContact CG-CB 4.18Å | ||
| 825 | I | 50.1 | Low | 54 | Low | 31 Ų | 31 | 42.8 Ų | 42.8 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | trans | -67.4 | 105.5 | -172.2 | -50 | 177.5 | 0 | 0 | 0 | 112.3 | D823 H827 I835 H856 | D823-I825 WeakPolarHBondContact O-CG1 3.3Å; D823-I825 PolarHBondContact O-N 3.38Å; I825-H827 PolarHBondContact O-N 2.91Å; I825-I835 HydrophobicContact CD1-CD1 4.14Å; I825-I835 HydrophobicContact CD1-CG2 3.96Å; I825-H856 PolarHBondContact O-CE1 3.27Å; I825-H856 PolarHBondContact O-ND1 2.8Å | ||
| 826 | H | 46.4 | Very low | 54.6 | Low | 102 Ų | 102 | 41.4 Ų | 41.4 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | trans | -79.9 | 81.6 | 175.5 | -78.8 | -26.3 | 0 | 0 | 0 | 113.6 | H797 P824 H855 | H797-H826 PolarHBondContact ND1-O 2.95Å; P824-H826 PolarHBondContact O-N 2.79Å; H826-H855 PolarHBondContact ND1-O 3.09Å | ||
| 827 | H | 48.8 | Very low | 55.7 | Low | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | trans | -90.2 | 140.4 | 168.5 | -75 | -30.9 | 0 | 0 | 0 | 113.4 | I796 H798 I825 H831 | I796-H827 PolarHBondContact O-CE1 2.88Å; I796-H827 PolarHBondContact O-ND1 3.43Å; H798-H827 AromaticContact CD2-CE1 3.75Å; I825-H827 PolarHBondContact O-N 2.91Å; H827-H831 AromaticContact CD2-NE2 3.83Å; H827-H831 AromaticContact NE2-NE2 3.92Å | ||
| 828 | Q | 48.3 | Very low | 56.7 | Low | 131 Ų | 131 | 36.6 Ų | 36.6 | 61% | 0.612 | 19% | 0.185 | S | C | * | . | trans | -113.1 | 4.6 | -178.2 | -71.1 | -171.5 | -26.3 | 0 | 0 | 114.5 | N858 | Q828-N858 PolarHBondContact O-ND2 2.95Š| ||
| 829 | N | 50.8 | Low | 57.5 | Low | 51 Ų | 51 | 39.1 Ų | 39.1 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -135.3 | 158.9 | -177 | -69.2 | -48.2 | 0 | 0 | 0 | 111.4 | Q799 | Q799-N829 PolarHBondContact O-ND2 3.03Š|
| 830 | N | 53.7 | Low | 57.9 | Low | 63 Ų | 63 | 41.8 Ų | 41.8 | 34% | 0.337 | 22% | 0.215 | S | C | . | . | trans | -73.4 | 133.9 | 179.5 | -55.8 | 7 | 0 | 0 | 0 | 111.5 | ||||
| 831 | H | 52.7 | Low | 58.4 | Low | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | trans | -103.6 | 150.3 | 172.3 | -80.8 | -110.5 | 0 | 0 | 0 | 112.6 | H827 | H827-H831 AromaticContact CD2-NE2 3.83Å; H827-H831 AromaticContact NE2-NE2 3.92Å | ||
| 832 | H | 58.3 | Low | 59.1 | Low | 84 Ų | 84 | 38.3 Ų | 38.3 | 39% | 0.389 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -119.1 | 16.6 | -179.3 | -75.6 | -60.8 | 0 | 0 | 0 | 113.2 | H803 H861 | H803-H832 AromaticContact CE1-CD2 3.78Å; H832-H861 AromaticContact CE1-CD2 3.9Å |
| 833 | D | 61.8 | Low | 59.5 | Low | 42 Ų | 42 | 41.3 Ų | 41.3 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -150.5 | 155.1 | 175.5 | -100.2 | -76.4 | 0 | 0 | 0 | 108.6 | H803 | H803-D833 VanDerWaalsContact C-OD2 3.25Š|
| 834 | P | 67.3 | Low | 60.1 | Low | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -64.6 | 143.2 | 176 | 27.5 | -37.9 | 0 | 0 | 0 | 112.9 | P805 V836 P863 | P805-P834 WeakPolarHBondContact CA-O 3.43Å; P805-P834 WeakPolarHBondContact CB-O 3.12Å; P834-V836 PolarHBondContact O-N 3.23Å; P834-P863 WeakPolarHBondContact CA-O 3.07Å; P834-P863 WeakPolarHBondContact CB-O 3.4Å | ||
| 835 | I | 65.5 | Low | 60.6 | Low | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -64 | -45.2 | 178.9 | -57 | -169.6 | 0 | 0 | 0 | 110.3 | T806 V807 I825 I864 | T806-I835 WeakPolarHBondContact CB-O 3.23Å; T806-I835 PolarHBondContact N-O 3.15Å; V807-I835 PolarHBondContact N-O 3.07Å; I825-I835 HydrophobicContact CD1-CD1 4.14Å; I825-I835 HydrophobicContact CD1-CG2 3.96Å; I835-I864 HydrophobicContact CB-CG2 4.33Å; I835-I864 HydrophobicContact CD1-CG2 4.14Å; I835-I864 HydrophobicContact CG1-CG2 4.32Å; I835-I864 PolarHBondContact N-O 3.06Å |
| 836 | V | 69.2 | Low | 60.9 | Low | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.6 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | V807 F809 P834 F838 I864 V865 S866 | V807-V836 WeakPolarHBondContact O-CA 3.2Å; F809-V836 HydrophobicContact CE2-CG1 4.39Å; P834-V836 PolarHBondContact O-N 3.23Å; V836-F838 HydrophobicContact CG1-CD2 4.17Å; V836-F838 HydrophobicContact CG1-CE2 3.49Å; V836-F838 VanDerWaalsContact CG1-CE2 3.49Å; V836-F838 HydrophobicContact CG1-CZ 3.91Å; V836-I864 PolarHBondContact N-O 2.81Å; V836-I864 VanDerWaalsContact N-O 3.1Å; V836-V865 HydrophobicContact CB-CG1 4.38Å; V836-V865 HydrophobicContact CB-CG2 4.49Å; V836-V865 WeakPolarHBondContact O-CA 3.41Å; V836-S866 PolarHBondContact O-N 3.03Å |
| 837 | S | 75.1 | Confident | 61.7 | Low | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 109.6 | -179.2 | -167.4 | 0 | 0 | 0 | 0 | 115.1 | V807 S808 F809 K839 S866 | V807-S837 PolarHBondContact O-N 3.15Å; S808-S837 CarbonylContact C-O 3.56Å; S808-S837 WeakPolarHBondContact CA-O 3.44Å; S808-S837 WeakPolarHBondContact CB-O 3.42Å; S808-S837 PolarHBondContact OG-O 3.19Å; F809-S837 PolarHBondContact N-O 3.33Å; S837-K839 WeakPolarHBondContact OG-CE 3.3Å; S837-S866 CarbonylContact C-O 3.57Å; S837-S866 WeakPolarHBondContact CA-O 3.33Å |
| 838 | F | 73.1 | Confident | 62.4 | Low | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.2 | 171.4 | -59.1 | -89.1 | 0 | 0 | 0 | 110.6 | F809 P812 I818 I819 V836 P841 V865 S866 F867 K868 | F809-F838 HydrophobicContact CB-CD1 3.79Å; F809-F838 HydrophobicContact CB-CE1 4.24Å; F809-F838 AromaticContact CD2-CD1 3.54Å; F809-F838 HydrophobicContact CD2-CD1 3.54Å; F809-F838 AromaticContact CD2-CE1 3.21Å; F809-F838 HydrophobicContact CD2-CE1 3.21Å; F809-F838 HydrophobicContact CD2-CG 4.34Å; F809-F838 AromaticContact CD2-CZ 3.79Å; F809-F838 HydrophobicContact CD2-CZ 3.79Å; F809-F838 HydrophobicContact CE2-CD1 4.35Å; F809-F838 AromaticContact CE2-CE1 3.56Å; F809-F838 HydrophobicContact CE2-CE1 3.56Å; F809-F838 AromaticContact CE2-CZ 3.8Å; F809-F838 HydrophobicContact CE2-CZ 3.8Å; F809-F838 AromaticContact CG-CD1 3.85Å; F809-F838 HydrophobicContact CG-CD1 3.85Å; F809-F838 AromaticContact CG-CE1 3.76Å; F809-F838 HydrophobicContact CG-CE1 3.76Å; F809-F838 HydrophobicContact CZ-CE1 4.36Å; P812-F838 HydrophobicContact CG-CD1 4.49Å; I818-F838 HydrophobicContact CD1-CD1 4.32Å; I818-F838 HydrophobicContact CD1-CE1 3.46Å; I818-F838 VanDerWaalsContact CD1-CE1 3.46Å; I818-F838 HydrophobicContact CD1-CZ 3.75Å; I818-F838 HydrophobicContact CG2-CE1 4.16Å; I818-F838 HydrophobicContact CG2-CZ 4.07Å; I819-F838 HydrophobicContact CD1-CE2 4.3Å; I819-F838 HydrophobicContact CD1-CZ 4.44Å; V836-F838 HydrophobicContact CG1-CD2 4.17Å; V836-F838 HydrophobicContact CG1-CE2 3.49Å; V836-F838 VanDerWaalsContact CG1-CE2 3.49Å; V836-F838 HydrophobicContact CG1-CZ 3.91Å; F838-P841 HydrophobicContact CB-CG 4.23Å; F838-V865 HydrophobicContact CE2-CG1 4.35Å; F838-S866 PolarHBondContact N-O 2.93Å; F838-F867 HydrophobicContact CB-CD1 3.61Å; F838-F867 HydrophobicContact CB-CE1 4.02Å; F838-F867 HydrophobicContact CB-CG 4.36Å; F838-F867 HydrophobicContact CD1-CE1 4.35Å; F838-F867 AromaticContact CD2-CD1 3.57Å; F838-F867 HydrophobicContact CD2-CD1 3.57Å; F838-F867 AromaticContact CD2-CE1 3.14Å; F838-F867 HydrophobicContact CD2-CE1 3.14Å; F838-F867 HydrophobicContact CD2-CE2 4.3Å; F838-F867 HydrophobicContact CD2-CG 4.29Å; F838-F867 AromaticContact CD2-CZ 3.57Å; F838-F867 HydrophobicContact CD2-CZ 3.57Å; F838-F867 HydrophobicContact CE2-CD1 4.45Å; F838-F867 AromaticContact CE2-CE1 3.6Å; F838-F867 HydrophobicContact CE2-CE1 3.6Å; F838-F867 AromaticContact CE2-CZ 3.68Å; F838-F867 HydrophobicContact CE2-CZ 3.68Å; F838-F867 AromaticContact CG-CD1 3.75Å; F838-F867 HydrophobicContact CG-CD1 3.75Å; F838-F867 AromaticContact CG-CE1 3.59Å; F838-F867 HydrophobicContact CG-CE1 3.59Å; F838-F867 HydrophobicContact CG-CZ 4.43Å; F838-F867 HydrophobicContact CZ-CE1 4.38Å; F838-F867 CarbonylContact O-C 3.56Å; F838-F867 WeakPolarHBondContact O-CA 3.49Å; F838-K868 PolarHBondContact O-N 3.24Å |
| 839 | K | 73.8 | Confident | 63 | Low | 57 Ų | 57 | 29.9 Ų | 29.9 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.9 | 179.7 | -67.4 | 156.9 | -176.2 | 152.3 | 0 | 108.4 | S808 F809 K810 S811 S837 K868 | S808-K839 PolarHBondContact OG-NZ 2.82Å; F809-K839 PolarHBondContact O-N 2.79Å; K810-K839 HydrophobicContact CG-CD 4.42Å; S811-K839 PolarHBondContact N-O 3.06Å; S837-K839 WeakPolarHBondContact OG-CE 3.3Å; K839-K868 WeakPolarHBondContact CA-O 3.45Å; K839-K868 HydrophobicContact CG-CB 4.39Å |
| 840 | S | 66.1 | Low | 63.2 | Low | 56 Ų | 56 | 30.2 Ų | 30.2 | 39% | 0.392 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 62.8 | 33.4 | -177.4 | -51.8 | 0 | 0 | 0 | 0 | 118.4 | S811 N842 K868 S869 | S811-S840 WeakPolarHBondContact OG-CB 3.21Å; S840-N842 PolarHBondContact O-ND2 2.96Å; S840-K868 PolarHBondContact N-O 3.36Å; S840-S869 CarbonylContact C-O 3.58Å; S840-S869 WeakPolarHBondContact CA-O 3.35Å; S840-S869 PolarHBondContact N-O 3.35Å |
| 841 | P | 64.2 | Low | 63.4 | Low | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | trans | -65 | 140.8 | 175.9 | 26 | -34.8 | 0 | 0 | 0 | 114.3 | P812 F838 F844 S869 S870 N871 F873 | P812-P841 HydrophobicContact CG-CB 4.09Å; P812-P841 VanDerWaalsContact O-CA 3.32Å; P812-P841 WeakPolarHBondContact O-CA 3.15Å; F838-P841 HydrophobicContact CB-CG 4.23Å; P841-F844 HydrophobicContact CB-CD2 3.84Å; P841-F844 HydrophobicContact CB-CE2 3.32Å; P841-F844 HydrophobicContact CB-CZ 3.85Å; P841-S869 VanDerWaalsContact CD-O 3.29Å; P841-S869 WeakPolarHBondContact CD-O 3.42Å; P841-S870 WeakPolarHBondContact O-CA 3.47Å; P841-S870 WeakPolarHBondContact O-CB 3.26Å; P841-N871 PolarHBondContact O-N 3.25Å; P841-F873 HydrophobicContact CB-CE1 4.22Å; P841-F873 HydrophobicContact CB-CZ 4.26Å; P841-F873 HydrophobicContact CG-CE1 4.22Å; P841-F873 HydrophobicContact CG-CZ 3.75Å | ||
| 842 | N | 64.4 | Low | 63.5 | Low | 40 Ų | 40 | 30.9 Ų | 30.9 | 21% | 0.214 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.5 | 166.3 | -45.6 | -88.1 | 0 | 0 | 0 | 112.9 | P812 N813 N814 S840 F844 N871 | P812-N842 PolarHBondContact O-N 2.81Å; N813-N842 VanDerWaalsContact CA-O 3.31Å; N813-N842 WeakPolarHBondContact CA-O 3.49Å; N813-N842 WeakPolarHBondContact OD1-CB 3.38Å; N813-N842 PolarHBondContact OD1-ND2 2.73Å; N814-N842 PolarHBondContact N-O 2.88Å; N814-N842 VanDerWaalsContact N-O 3.09Å; S840-N842 PolarHBondContact O-ND2 2.96Å; N842-F844 WeakPolarHBondContact O-CD2 3.33Å; N842-F844 WeakPolarHBondContact O-CE2 3.4Å; N842-N871 CarbonylContact C-O 3.48Å; N842-N871 VanDerWaalsContact CA-O 3.26Å; N842-N871 WeakPolarHBondContact CA-O 3.47Å; N842-N871 WeakPolarHBondContact OD1-CB 3.24Å; N842-N871 PolarHBondContact OD1-ND2 3.5Å |
| 843 | N | 63 | Low | 63.1 | Low | 79 Ų | 79 | 28.1 Ų | 28.1 | 42% | 0.422 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.9 | 85.4 | 178.7 | -53.3 | -19.3 | 0 | 0 | 0 | 113.3 | N814 N871 H872 | N814-N843 WeakPolarHBondContact CA-O 3.26Å; N814-N843 PolarHBondContact N-O 2.92Å; N814-N843 VanDerWaalsContact N-O 3.16Å; N814-N843 VanDerWaalsContact OD1-CB 3.28Å; N814-N843 WeakPolarHBondContact OD1-CB 3.25Å; N814-N843 PolarHBondContact OD1-ND2 3.19Å; N843-N871 PolarHBondContact N-O 3.32Å; N843-H872 VanDerWaalsContact CA-O 3.24Å; N843-H872 WeakPolarHBondContact CA-O 3.34Å; N843-H872 PolarHBondContact N-O 3.31Å |
| 844 | F | 62.3 | Low | 62.7 | Low | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.9 | 172.7 | -66.3 | -112.7 | 0 | 0 | 0 | 111.9 | P812 F815 I818 P841 N842 I847 H872 F873 T874 | P812-F844 HydrophobicContact CB-CZ 3.76Å; P812-F844 HydrophobicContact CG-CE1 4.49Å; P812-F844 HydrophobicContact CG-CE2 4.43Å; P812-F844 HydrophobicContact CG-CZ 3.68Å; P812-F844 WeakPolarHBondContact O-CE2 3.26Å; P812-F844 WeakPolarHBondContact O-CZ 3.41Å; F815-F844 HydrophobicContact CB-CD1 3.69Å; F815-F844 HydrophobicContact CB-CE1 3.47Å; F815-F844 VanDerWaalsContact CB-CE1 3.47Å; F815-F844 HydrophobicContact CB-CZ 4.36Å; F815-F844 AromaticContact CD2-CE1 3.56Å; F815-F844 HydrophobicContact CD2-CE1 3.56Å; F815-F844 AromaticContact CD2-CZ 3.67Å; F815-F844 HydrophobicContact CD2-CZ 3.67Å; F815-F844 HydrophobicContact CE2-CZ 4.46Å; F815-F844 AromaticContact CG-CE1 3.81Å; F815-F844 HydrophobicContact CG-CE1 3.81Å; F815-F844 HydrophobicContact CG-CZ 4.38Å; F815-F844 WeakPolarHBondContact O-CA 3.25Å; I818-F844 HydrophobicContact CD1-CD1 3.52Å; I818-F844 HydrophobicContact CD1-CE1 3.52Å; I818-F844 HydrophobicContact CG1-CD1 4.18Å; I818-F844 HydrophobicContact CG1-CE1 4.38Å; P841-F844 HydrophobicContact CB-CD2 3.84Å; P841-F844 HydrophobicContact CB-CE2 3.32Å; P841-F844 HydrophobicContact CB-CZ 3.85Å; N842-F844 WeakPolarHBondContact O-CD2 3.33Å; N842-F844 WeakPolarHBondContact O-CE2 3.4Å; F844-I847 HydrophobicContact CB-CD1 3.61Å; F844-I847 HydrophobicContact CB-CG1 3.93Å; F844-I847 HydrophobicContact CG-CD1 4.32Å; F844-H872 PolarHBondContact N-O 3.09Å; F844-F873 HydrophobicContact CB-CD1 3.85Å; F844-F873 HydrophobicContact CB-CE1 4Å; F844-F873 HydrophobicContact CD2-CD1 4.38Å; F844-F873 AromaticContact CD2-CE1 3.94Å; F844-F873 HydrophobicContact CD2-CE1 3.94Å; F844-F873 HydrophobicContact CG-CD1 4.46Å; F844-F873 HydrophobicContact CG-CE1 4.16Å; F844-T874 PolarHBondContact O-N 2.73Å |
| 845 | T | 58.6 | Low | 61.8 | Low | 58 Ų | 58 | 31.5 Ų | 31.5 | 36% | 0.356 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.1 | 177.9 | -22.3 | 0 | 0 | 0 | 0 | 108.9 | F815 T816 N817 T874 | F815-T845 PolarHBondContact O-N 2.61Å; T816-T845 VanDerWaalsContact CA-O 3.29Å; T816-T845 WeakPolarHBondContact CA-O 3.25Å; N817-T845 PolarHBondContact N-O 3.41Å; T845-T874 VanDerWaalsContact CA-O 3.24Å; T845-T874 WeakPolarHBondContact CA-O 3.39Å; T845-T874 HydrophobicContact CG2-CG2 4.1Å |
| 846 | N | 56 | Low | 61.1 | Low | 34 Ų | 34 | 31.5 Ų | 31.5 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | trans | 50.8 | 71.1 | 174.5 | -67.2 | 28.6 | 0 | 0 | 0 | 111.8 | N817 T874 N875 | N817-N846 WeakPolarHBondContact CA-O 3.37Å; N817-N846 PolarHBondContact N-O 2.92Å; N817-N846 WeakPolarHBondContact OD1-CB 3.45Å; N846-T874 PolarHBondContact N-O 2.89Å; N846-N875 WeakPolarHBondContact CA-O 3.49Å; N846-N875 PolarHBondContact N-O 3.29Å; N846-N875 VanDerWaalsContact OD1-CB 3.24Å; N846-N875 WeakPolarHBondContact OD1-CB 3.28Å; N846-N875 PolarHBondContact OD1-ND2 3.32Å | ||
| 847 | I | 62.4 | Low | 60.2 | Low | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -83.7 | -38.1 | -170.1 | -50 | -168.1 | 0 | 0 | 0 | 112.3 | I818 I819 F844 F867 F873 N875 I876 | I818-I847 HydrophobicContact CD1-CG2 3.81Å; I818-I847 HydrophobicContact CG1-CG2 4.25Å; I819-I847 WeakPolarHBondContact CB-O 3.31Å; I819-I847 PolarHBondContact N-O 2.84Å; I819-I847 VanDerWaalsContact N-O 3.13Å; F844-I847 HydrophobicContact CB-CD1 3.61Å; F844-I847 HydrophobicContact CB-CG1 3.93Å; F844-I847 HydrophobicContact CG-CD1 4.32Å; I847-F867 HydrophobicContact CD1-CE1 4.36Å; I847-F867 HydrophobicContact CG2-CE1 3.72Å; I847-F867 HydrophobicContact CG2-CZ 3.59Å; I847-F873 HydrophobicContact CD1-CD1 3.51Å; I847-F873 HydrophobicContact CD1-CE1 3.45Å; I847-F873 VanDerWaalsContact CD1-CE1 3.45Å; I847-F873 HydrophobicContact CD1-CG 4.3Å; I847-F873 HydrophobicContact CD1-CZ 4.2Å; I847-N875 PolarHBondContact N-O 3Å; I847-I876 HydrophobicContact CB-CG2 4.11Å; I847-I876 HydrophobicContact CD1-CG2 4.06Å; I847-I876 HydrophobicContact CG1-CG2 4.22Å; I847-I876 PolarHBondContact N-O 2.9Å | ||
| 848 | I | 63.6 | Low | 59.1 | Low | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -129.2 | 130.7 | -179.7 | -68.1 | 168.2 | 0 | 0 | 0 | 107.6 | I819 L851 I876 I877 H878 L880 V894 | I819-I848 HydrophobicContact CB-CG1 4.36Å; I819-I848 HydrophobicContact CD1-CG1 4.11Å; I848-L851 HydrophobicContact CG2-CB 4.12Å; I848-L851 HydrophobicContact CG2-CD1 3.77Å; I848-L851 HydrophobicContact CG2-CG 4.2Å; I848-I876 PolarHBondContact N-O 3.41Å; I848-I877 HydrophobicContact CD1-CG1 4.4Å; I848-H878 PolarHBondContact O-N 3.37Å; I848-H878 VanDerWaalsContact O-N 3.14Å; I848-L880 HydrophobicContact CG2-CD2 3.92Å; I848-V894 HydrophobicContact CD1-CG1 4.37Å |
| 849 | H | 60.9 | Low | 58.2 | Low | 35 Ų | 35 | 42.1 Ų | 42.1 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | trans | -149.6 | 143.5 | 179.6 | -156.3 | -65.7 | 0 | 0 | 0 | 106.7 | I819 H820 L851 H878 D879 | I819-H849 PolarHBondContact O-N 3.5Å; I819-H849 VanDerWaalsContact O-N 3.1Å; H820-H849 WeakPolarHBondContact CA-O 3.34Å; H820-H849 WeakPolarHBondContact CE1-CB 3.28Å; H820-H849 AromaticContact CE1-CD2 3.81Å; H820-H849 AromaticContact CE1-CG 3.34Å; H820-H849 AromaticContact CE1-ND1 3.61Å; H820-H849 AromaticContact ND1-CG 3.88Å; H820-H849 AromaticContact ND1-ND1 3.9Å; H849-L851 PolarHBondContact O-N 2.83Å; H849-H878 WeakPolarHBondContact CA-O 3.4Å; H849-D879 IonicContact CE1-OD2 3.31Å; H849-D879 PolarHBondContact CE1-OD2 2.98Å; H849-D879 IonicContact ND1-OD2 2.69Å; H849-D879 IonicContact NE2-OD2 2.74Å | ||
| 850 | D | 56.1 | Low | 57.3 | Low | 58 Ų | 58 | 39.6 Ų | 39.6 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | trans | 47.4 | 61.9 | 176.4 | -48 | -52.1 | 0 | 0 | 0 | 114 | H820 D821 D852 D879 | H820-D850 IonicContact ND1-OD2 2.72Å; H820-D850 PolarHBondContact ND1-OD2 2.88Å; D821-D850 PolarHBondContact N-O 2.83Å; D850-D852 PolarHBondContact O-N 3.31Å; D850-D879 PolarHBondContact N-O 3.06Å | ||
| 851 | L | 57.3 | Low | 57 | Low | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | trans | -94.9 | 87.6 | -176.7 | -136.1 | -171.3 | 0 | 0 | 0 | 112.4 | I819 L822 I848 H849 I854 L880 | I819-L851 HydrophobicContact CG2-CG 4.36Å; L822-L851 HydrophobicContact CB-CD2 3.83Å; L822-L851 HydrophobicContact CD1-CD2 4.47Å; I848-L851 HydrophobicContact CG2-CB 4.12Å; I848-L851 HydrophobicContact CG2-CD1 3.77Å; I848-L851 HydrophobicContact CG2-CG 4.2Å; H849-L851 PolarHBondContact O-N 2.83Å; L851-I854 HydrophobicContact CD2-CD1 4.38Å; L851-L880 HydrophobicContact CB-CD2 3.51Å; L851-L880 HydrophobicContact CD1-CD2 4.04Å; L851-L880 HydrophobicContact CG-CD2 4.43Å | ||
| 852 | D | 53.7 | Low | 57.1 | Low | 67 Ų | 67 | 42.5 Ų | 42.5 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | trans | -42 | 141.6 | -176.3 | -136.4 | -24.4 | 0 | 0 | 0 | 115.3 | P824 D850 I854 | P824-D852 HydrophobicContact CG-CB 4.18Å; D850-D852 PolarHBondContact O-N 3.31Å; D852-I854 PolarHBondContact O-N 2.8Å | ||
| 853 | P | 50.3 | Low | 57.4 | Low | 25 Ų | 25 | 40.6 Ų | 40.6 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | trans | -57.9 | 104.2 | -175 | -30.3 | 38.8 | 0 | 0 | 0 | 115.9 | H855 D881 | P853-H855 PolarHBondContact O-N 3.14Å; P853-D881 HydrophobicContact CG-CB 4Å | ||
| 854 | I | 53.1 | Low | 57.6 | Low | 18 Ų | 18 | 37.4 Ų | 37.4 | 9% | 0.092 | 19% | 0.192 | C | C | . | . | trans | -66.8 | 99.2 | -175.2 | -54.3 | 176.7 | 0 | 0 | 0 | 112.5 | L851 D852 H856 I864 H885 | L851-I854 HydrophobicContact CD2-CD1 4.38Å; D852-I854 PolarHBondContact O-N 2.8Å; I854-H856 PolarHBondContact O-N 3.03Å; I854-I864 HydrophobicContact CD1-CD1 3.88Å; I854-I864 HydrophobicContact CD1-CG2 4.32Å; I854-I864 HydrophobicContact CG2-CD1 4.3Å; I854-H885 PolarHBondContact O-CE1 3.43Å; I854-H885 PolarHBondContact O-ND1 3.35Å | ||
| 855 | H | 48.9 | Very low | 58.1 | Low | 96 Ų | 96 | 37.4 Ų | 37.4 | 44% | 0.444 | 19% | 0.192 | S | C | . | . | trans | -80.2 | 79.1 | 174 | -77.5 | -25.9 | 0 | 0 | 0 | 113.3 | H826 P853 H884 | H826-H855 PolarHBondContact ND1-O 3.09Å; P853-H855 PolarHBondContact O-N 3.14Å; H855-H884 PolarHBondContact ND1-O 3.17Å | ||
| 856 | H | 51.3 | Low | 59.1 | Low | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | trans | -94.2 | 148.8 | 170.7 | -78.7 | -15.9 | 0 | 0 | 0 | 113.5 | I825 I854 H860 | I825-H856 PolarHBondContact O-CE1 3.27Å; I825-H856 PolarHBondContact O-ND1 2.8Å; I854-H856 PolarHBondContact O-N 3.03Å; H856-H860 AromaticContact CD2-NE2 3.86Å; H856-H860 AromaticContact NE2-NE2 3.87Å | ||
| 857 | Q | 50 | Low | 60.1 | Low | 118 Ų | 118 | 33.2 Ų | 33.2 | 55% | 0.551 | 17% | 0.167 | S | C | * | . | trans | -119.8 | 2.1 | -179.3 | -72.1 | -171.5 | -16.3 | 0 | 0 | 115 | N887 | Q857-N887 PolarHBondContact O-ND2 3.45Š| ||
| 858 | N | 51.6 | Low | 60.7 | Low | 53 Ų | 53 | 36.1 Ų | 36.1 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -138.1 | 161.3 | -175.9 | -67.8 | -78 | 0 | 0 | 0 | 112.8 | Q828 | Q828-N858 PolarHBondContact O-ND2 2.95Š|
| 859 | N | 54.4 | Low | 60.7 | Low | 58 Ų | 58 | 39.1 Ų | 39.1 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | trans | -76.6 | 131.1 | -172.3 | -55.4 | 10.7 | 0 | 0 | 0 | 112 | ||||
| 860 | H | 55.4 | Low | 60.8 | Low | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | trans | -100.7 | 150.7 | 171.2 | -81.1 | -119.5 | 0 | 0 | 0 | 112.8 | H856 H890 | H856-H860 AromaticContact CD2-NE2 3.86Å; H856-H860 AromaticContact NE2-NE2 3.87Å; H860-H890 PolarHBondContact O-N 3.38Å | ||
| 861 | H | 59.9 | Low | 60.8 | Low | 79 Ų | 79 | 38.1 Ų | 38.1 | 37% | 0.366 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -118.9 | 11.8 | 178.4 | -75.1 | -59.5 | 0 | 0 | 0 | 114.1 | H832 H890 | H832-H861 AromaticContact CE1-CD2 3.9Å; H861-H890 AromaticContact CE1-CD2 3.89Å |
| 862 | D | 65.5 | Low | 61 | Low | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -152.7 | 161.2 | 171.6 | -113.4 | -71.6 | 0 | 0 | 0 | 107.5 | ||
| 863 | P | 70.1 | Confident | 61.5 | Low | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | trans | -74.3 | 148.9 | -173.1 | 33.2 | -35.9 | 0 | 0 | 0 | 112.2 | P834 V865 P892 | P834-P863 WeakPolarHBondContact CA-O 3.07Å; P834-P863 WeakPolarHBondContact CB-O 3.4Å; P863-V865 PolarHBondContact O-N 3.39Å; P863-P892 WeakPolarHBondContact CA-O 3.3Å; P863-P892 HydrophobicContact CB-CG 4.32Å; P863-P892 WeakPolarHBondContact CB-O 3.36Å | ||
| 864 | I | 68.6 | Low | 61.9 | Low | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -62.4 | -45.3 | -178.5 | -60.8 | -170.9 | 0 | 0 | 0 | 111.1 | I835 V836 I854 I893 | I835-I864 HydrophobicContact CB-CG2 4.33Å; I835-I864 HydrophobicContact CD1-CG2 4.14Å; I835-I864 HydrophobicContact CG1-CG2 4.32Å; I835-I864 PolarHBondContact N-O 3.06Å; V836-I864 PolarHBondContact N-O 2.81Å; V836-I864 VanDerWaalsContact N-O 3.1Å; I854-I864 HydrophobicContact CD1-CD1 3.88Å; I854-I864 HydrophobicContact CD1-CG2 4.32Å; I854-I864 HydrophobicContact CG2-CD1 4.3Å; I864-I893 HydrophobicContact CB-CG2 4.29Å; I864-I893 HydrophobicContact CD1-CG2 4.19Å; I864-I893 HydrophobicContact CG1-CG2 4.37Å; I864-I893 PolarHBondContact N-O 2.75Å |
| 865 | V | 73.2 | Confident | 62.2 | Low | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.1 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | V836 F838 P863 F867 I893 V894 S895 | V836-V865 HydrophobicContact CB-CG1 4.38Å; V836-V865 HydrophobicContact CB-CG2 4.49Å; V836-V865 WeakPolarHBondContact O-CA 3.41Å; F838-V865 HydrophobicContact CE2-CG1 4.35Å; P863-V865 PolarHBondContact O-N 3.39Å; V865-F867 HydrophobicContact CG1-CD2 4.23Å; V865-F867 HydrophobicContact CG1-CE2 3.48Å; V865-F867 VanDerWaalsContact CG1-CE2 3.48Å; V865-F867 HydrophobicContact CG1-CZ 3.95Å; V865-I893 PolarHBondContact N-O 2.79Å; V865-I893 VanDerWaalsContact N-O 3.11Å; V865-V894 HydrophobicContact CB-CG1 4.33Å; V865-S895 PolarHBondContact O-N 2.97Å |
| 866 | S | 78.1 | Confident | 63 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 119.7 | -178.4 | -163.7 | 0 | 0 | 0 | 0 | 114.9 | V836 S837 F838 K868 S895 | V836-S866 PolarHBondContact O-N 3.03Å; S837-S866 CarbonylContact C-O 3.57Å; S837-S866 WeakPolarHBondContact CA-O 3.33Å; F838-S866 PolarHBondContact N-O 2.93Å; S866-K868 VanDerWaalsContact OG-CE 3.29Å; S866-K868 WeakPolarHBondContact OG-CE 3.19Å; S866-S895 WeakPolarHBondContact CA-O 3.36Å |
| 867 | F | 77 | Confident | 63.7 | Low | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.6 | 172 | -59.1 | -94.9 | 0 | 0 | 0 | 110.1 | F838 I847 V865 F873 V894 S895 F896 K897 | F838-F867 HydrophobicContact CB-CD1 3.61Å; F838-F867 HydrophobicContact CB-CE1 4.02Å; F838-F867 HydrophobicContact CB-CG 4.36Å; F838-F867 HydrophobicContact CD1-CE1 4.35Å; F838-F867 AromaticContact CD2-CD1 3.57Å; F838-F867 HydrophobicContact CD2-CD1 3.57Å; F838-F867 AromaticContact CD2-CE1 3.14Å; F838-F867 HydrophobicContact CD2-CE1 3.14Å; F838-F867 HydrophobicContact CD2-CE2 4.3Å; F838-F867 HydrophobicContact CD2-CG 4.29Å; F838-F867 AromaticContact CD2-CZ 3.57Å; F838-F867 HydrophobicContact CD2-CZ 3.57Å; F838-F867 HydrophobicContact CE2-CD1 4.45Å; F838-F867 AromaticContact CE2-CE1 3.6Å; F838-F867 HydrophobicContact CE2-CE1 3.6Å; F838-F867 AromaticContact CE2-CZ 3.68Å; F838-F867 HydrophobicContact CE2-CZ 3.68Å; F838-F867 AromaticContact CG-CD1 3.75Å; F838-F867 HydrophobicContact CG-CD1 3.75Å; F838-F867 AromaticContact CG-CE1 3.59Å; F838-F867 HydrophobicContact CG-CE1 3.59Å; F838-F867 HydrophobicContact CG-CZ 4.43Å; F838-F867 HydrophobicContact CZ-CE1 4.38Å; F838-F867 CarbonylContact O-C 3.56Å; F838-F867 WeakPolarHBondContact O-CA 3.49Å; I847-F867 HydrophobicContact CD1-CE1 4.36Å; I847-F867 HydrophobicContact CG2-CE1 3.72Å; I847-F867 HydrophobicContact CG2-CZ 3.59Å; V865-F867 HydrophobicContact CG1-CD2 4.23Å; V865-F867 HydrophobicContact CG1-CE2 3.48Å; V865-F867 VanDerWaalsContact CG1-CE2 3.48Å; V865-F867 HydrophobicContact CG1-CZ 3.95Å; F867-F873 HydrophobicContact CD1-CZ 4.14Å; F867-V894 HydrophobicContact CE2-CG1 4.36Å; F867-S895 PolarHBondContact N-O 2.72Å; F867-F896 HydrophobicContact CB-CD1 3.62Å; F867-F896 HydrophobicContact CB-CE1 4.09Å; F867-F896 HydrophobicContact CB-CG 4.38Å; F867-F896 HydrophobicContact CD1-CE1 4.25Å; F867-F896 AromaticContact CD2-CD1 3.48Å; F867-F896 HydrophobicContact CD2-CD1 3.48Å; F867-F896 VanDerWaalsContact CD2-CD1 3.48Å; F867-F896 AromaticContact CD2-CE1 3.1Å; F867-F896 HydrophobicContact CD2-CE1 3.1Å; F867-F896 HydrophobicContact CD2-CE2 4.44Å; F867-F896 HydrophobicContact CD2-CG 4.26Å; F867-F896 AromaticContact CD2-CZ 3.64Å; F867-F896 HydrophobicContact CD2-CZ 3.64Å; F867-F896 HydrophobicContact CE2-CD1 4.29Å; F867-F896 AromaticContact CE2-CE1 3.46Å; F867-F896 HydrophobicContact CE2-CE1 3.46Å; F867-F896 VanDerWaalsContact CE2-CE1 3.46Å; F867-F896 AromaticContact CE2-CZ 3.68Å; F867-F896 HydrophobicContact CE2-CZ 3.68Å; F867-F896 AromaticContact CG-CD1 3.65Å; F867-F896 HydrophobicContact CG-CD1 3.65Å; F867-F896 AromaticContact CG-CE1 3.56Å; F867-F896 HydrophobicContact CG-CE1 3.56Å; F867-F896 HydrophobicContact CG-CZ 4.5Å; F867-F896 HydrophobicContact CZ-CE1 4.19Å; F867-K897 PolarHBondContact O-N 3.27Å |
| 868 | K | 75.6 | Confident | 64.3 | Low | 61 Ų | 61 | 32.3 Ų | 32.3 | 27% | 0.265 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 110.6 | -175.4 | -66.4 | 172.8 | -179.2 | 170.7 | 0 | 110.2 | F838 K839 S840 S866 K897 | F838-K868 PolarHBondContact O-N 3.24Å; K839-K868 WeakPolarHBondContact CA-O 3.45Å; K839-K868 HydrophobicContact CG-CB 4.39Å; S840-K868 PolarHBondContact N-O 3.36Å; S866-K868 VanDerWaalsContact OG-CE 3.29Å; S866-K868 WeakPolarHBondContact OG-CE 3.19Å; K868-K897 WeakPolarHBondContact CA-O 3.35Å; K868-K897 HydrophobicContact CG-CB 4.39Å; K868-K897 HydrophobicContact CG-CD 4.5Å |
| 869 | S | 63.7 | Low | 64.7 | Low | 64 Ų | 64 | 32.3 Ų | 32.3 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.5 | 119 | -177.2 | -55.3 | 0 | 0 | 0 | 0 | 114.8 | S840 P841 K897 S898 | S840-S869 CarbonylContact C-O 3.58Å; S840-S869 WeakPolarHBondContact CA-O 3.35Å; S840-S869 PolarHBondContact N-O 3.35Å; P841-S869 VanDerWaalsContact CD-O 3.29Å; P841-S869 WeakPolarHBondContact CD-O 3.42Å; S869-K897 PolarHBondContact N-O 3.44Å; S869-S898 WeakPolarHBondContact CA-O 3.28Å |
| 870 | S | 62.6 | Low | 64.9 | Low | 5 Ų | 5 | 30.1 Ų | 30.1 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 166.8 | -178 | 73.4 | 0 | 0 | 0 | 0 | 114.8 | P841 F873 P899 N900 | P841-S870 WeakPolarHBondContact O-CA 3.47Å; P841-S870 WeakPolarHBondContact O-CB 3.26Å; S870-F873 VanDerWaalsContact CB-CE2 3.42Å; S870-F873 WeakPolarHBondContact OG-CD2 3.31Å; S870-F873 WeakPolarHBondContact OG-CE2 3.36Å; S870-P899 VanDerWaalsContact OG-CA 3.23Å; S870-P899 WeakPolarHBondContact OG-CA 3.26Å; S870-P899 WeakPolarHBondContact OG-CB 3.49Å; S870-N900 WeakPolarHBondContact O-CB 3.4Å; S870-N900 PolarHBondContact O-N 2.82Å; S870-N900 PolarHBondContact O-ND2 2.9Å |
| 871 | N | 57.1 | Low | 64.9 | Low | 66 Ų | 66 | 33 Ų | 33 | 35% | 0.353 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 127.3 | 166.5 | -52.5 | -77.1 | 0 | 0 | 0 | 111.6 | P841 N842 N843 N900 | P841-N871 PolarHBondContact O-N 3.25Å; N842-N871 CarbonylContact C-O 3.48Å; N842-N871 VanDerWaalsContact CA-O 3.26Å; N842-N871 WeakPolarHBondContact CA-O 3.47Å; N842-N871 WeakPolarHBondContact OD1-CB 3.24Å; N842-N871 PolarHBondContact OD1-ND2 3.5Å; N843-N871 PolarHBondContact N-O 3.32Å; N871-N900 CarbonylContact C-O 3.57Å; N871-N900 WeakPolarHBondContact CA-O 3.43Å; N871-N900 PolarHBondContact OD1-ND2 3.23Å |
| 872 | H | 61.8 | Low | 64.5 | Low | 96 Ų | 96 | 30.6 Ų | 30.6 | 44% | 0.444 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.5 | 107.9 | 178.1 | -59.6 | 89.2 | 0 | 0 | 0 | 115 | N843 F844 N900 N901 | N843-H872 VanDerWaalsContact CA-O 3.24Å; N843-H872 WeakPolarHBondContact CA-O 3.34Å; N843-H872 PolarHBondContact N-O 3.31Å; F844-H872 PolarHBondContact N-O 3.09Å; H872-N900 PolarHBondContact N-O 3.05Å; H872-N901 VanDerWaalsContact CA-O 3.28Å; H872-N901 WeakPolarHBondContact CA-O 3.5Å; H872-N901 PolarHBondContact CE1-ND2 3.24Å; H872-N901 PolarHBondContact NE2-ND2 3.32Å |
| 873 | F | 62.8 | Low | 63.9 | Low | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142 | 173.5 | -72.9 | -46.9 | 0 | 0 | 0 | 110.4 | P841 F844 I847 F867 S870 I876 P899 N901 F902 T903 | P841-F873 HydrophobicContact CB-CE1 4.22Å; P841-F873 HydrophobicContact CB-CZ 4.26Å; P841-F873 HydrophobicContact CG-CE1 4.22Å; P841-F873 HydrophobicContact CG-CZ 3.75Å; F844-F873 HydrophobicContact CB-CD1 3.85Å; F844-F873 HydrophobicContact CB-CE1 4Å; F844-F873 HydrophobicContact CD2-CD1 4.38Å; F844-F873 AromaticContact CD2-CE1 3.94Å; F844-F873 HydrophobicContact CD2-CE1 3.94Å; F844-F873 HydrophobicContact CG-CD1 4.46Å; F844-F873 HydrophobicContact CG-CE1 4.16Å; I847-F873 HydrophobicContact CD1-CD1 3.51Å; I847-F873 HydrophobicContact CD1-CE1 3.45Å; I847-F873 VanDerWaalsContact CD1-CE1 3.45Å; I847-F873 HydrophobicContact CD1-CG 4.3Å; I847-F873 HydrophobicContact CD1-CZ 4.2Å; F867-F873 HydrophobicContact CD1-CZ 4.14Å; S870-F873 VanDerWaalsContact CB-CE2 3.42Å; S870-F873 WeakPolarHBondContact OG-CD2 3.31Å; S870-F873 WeakPolarHBondContact OG-CE2 3.36Å; F873-I876 HydrophobicContact CB-CG1 4.32Å; F873-P899 HydrophobicContact CD2-CB 4.42Å; F873-P899 HydrophobicContact CE2-CB 4.18Å; F873-N901 PolarHBondContact N-O 2.85Å; F873-N901 VanDerWaalsContact N-O 3.12Å; F873-F902 HydrophobicContact CB-CD1 3.66Å; F873-F902 HydrophobicContact CB-CE1 3.86Å; F873-F902 HydrophobicContact CD2-CD1 4.11Å; F873-F902 AromaticContact CD2-CE1 3.42Å; F873-F902 HydrophobicContact CD2-CE1 3.42Å; F873-F902 VanDerWaalsContact CD2-CE1 3.42Å; F873-F902 AromaticContact CD2-CZ 3.91Å; F873-F902 HydrophobicContact CD2-CZ 3.91Å; F873-F902 HydrophobicContact CE2-CE1 4.36Å; F873-F902 HydrophobicContact CG-CD1 4.4Å; F873-F902 HydrophobicContact CG-CE1 4.11Å; F873-F902 WeakPolarHBondContact O-CA 3.21Å; F873-T903 PolarHBondContact O-N 3.34Å; F873-T903 VanDerWaalsContact O-N 3.16Å |
| 874 | T | 59.4 | Low | 63 | Low | 51 Ų | 51 | 33.1 Ų | 33.1 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.5 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | F844 T845 N846 T903 | F844-T874 PolarHBondContact O-N 2.73Å; T845-T874 VanDerWaalsContact CA-O 3.24Å; T845-T874 WeakPolarHBondContact CA-O 3.39Å; T845-T874 HydrophobicContact CG2-CG2 4.1Å; N846-T874 PolarHBondContact N-O 2.89Å; T874-T903 VanDerWaalsContact CA-O 3.27Å; T874-T903 WeakPolarHBondContact CA-O 3.37Å; T874-T903 PolarHBondContact OG1-OG1 2.97Å; T874-T903 VanDerWaalsContact OG1-OG1 3.07Å |
| 875 | N | 58.9 | Low | 62.2 | Low | 39 Ų | 39 | 32.8 Ų | 32.8 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | trans | 47.2 | 71.2 | -179.8 | -66.1 | 17.1 | 0 | 0 | 0 | 111.6 | N846 I847 T903 N904 | N846-N875 WeakPolarHBondContact CA-O 3.49Å; N846-N875 PolarHBondContact N-O 3.29Å; N846-N875 VanDerWaalsContact OD1-CB 3.24Å; N846-N875 WeakPolarHBondContact OD1-CB 3.28Å; N846-N875 PolarHBondContact OD1-ND2 3.32Å; I847-N875 PolarHBondContact N-O 3Å; N875-T903 PolarHBondContact N-O 3.14Å; N875-N904 WeakPolarHBondContact CA-O 3.42Å; N875-N904 PolarHBondContact N-O 3.24Å; N875-N904 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 876 | I | 65.1 | Low | 61.1 | Low | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -71.3 | -43.7 | -174.1 | -44.9 | 174 | 0 | 0 | 0 | 111.2 | I847 I848 F873 F896 F902 N904 I905 F925 | I847-I876 HydrophobicContact CB-CG2 4.11Å; I847-I876 HydrophobicContact CD1-CG2 4.06Å; I847-I876 HydrophobicContact CG1-CG2 4.22Å; I847-I876 PolarHBondContact N-O 2.9Å; I848-I876 PolarHBondContact N-O 3.41Å; F873-I876 HydrophobicContact CB-CG1 4.32Å; I876-F896 HydrophobicContact CD1-CE1 4.17Å; I876-F896 HydrophobicContact CD1-CZ 4.3Å; I876-F896 HydrophobicContact CG2-CE1 3.65Å; I876-F896 HydrophobicContact CG2-CZ 3.52Å; I876-F902 HydrophobicContact CD1-CD1 3.67Å; I876-F902 HydrophobicContact CD1-CE1 3.34Å; I876-F902 HydrophobicContact CD1-CZ 4.48Å; I876-F902 HydrophobicContact CG1-CD1 4.29Å; I876-F902 HydrophobicContact CG1-CE1 4.29Å; I876-N904 PolarHBondContact N-O 2.6Å; I876-I905 WeakPolarHBondContact CB-O 3.36Å; I876-I905 HydrophobicContact CD1-CB 4.21Å; I876-I905 HydrophobicContact CD1-CG2 3.46Å; I876-I905 VanDerWaalsContact CD1-CG2 3.46Å; I876-I905 HydrophobicContact CG1-CG2 4.28Å; I876-I905 PolarHBondContact N-O 2.78Å; I876-F925 HydrophobicContact CD1-CE1 4.06Å | ||
| 877 | I | 66.3 | Low | 59.9 | Low | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -129.7 | 128.4 | -169.3 | -63.8 | 176.4 | 0 | 0 | 0 | 107.3 | I848 L880 I905 I906 H907 V923 | I848-I877 HydrophobicContact CD1-CG1 4.4Å; I877-L880 HydrophobicContact CD1-CD1 4.48Å; I877-L880 HydrophobicContact CG2-CB 4.49Å; I877-L880 HydrophobicContact CG2-CD1 3.31Å; I877-L880 HydrophobicContact CG2-CD2 4.47Å; I877-L880 HydrophobicContact CG2-CG 3.49Å; I877-L880 VanDerWaalsContact CG2-CG 3.49Å; I877-I905 PolarHBondContact N-O 2.67Å; I877-I906 HydrophobicContact CB-CG1 4.37Å; I877-I906 HydrophobicContact CD1-CG1 4.28Å; I877-H907 PolarHBondContact O-N 2.78Å; I877-H907 VanDerWaalsContact O-N 3.16Å; I877-V923 HydrophobicContact CD1-CG1 4.28Å |
| 878 | H | 63.6 | Low | 58.7 | Low | 38 Ų | 38 | 43.1 Ų | 43.1 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | trans | -141.1 | 143.5 | 176.7 | -151.7 | -76.1 | 0 | 0 | 0 | 106.2 | I848 H849 H907 D908 | I848-H878 PolarHBondContact O-N 3.37Å; I848-H878 VanDerWaalsContact O-N 3.14Å; H849-H878 WeakPolarHBondContact CA-O 3.4Å; H878-H907 WeakPolarHBondContact CA-O 3.48Å; H878-D908 IonicContact CE1-OD2 2.63Å | ||
| 879 | D | 58.9 | Low | 57.7 | Low | 53 Ų | 53 | 40.5 Ų | 40.5 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | trans | 46.3 | 72.7 | 174.8 | -55.1 | -52.6 | 0 | 0 | 0 | 114.2 | H849 D850 D908 | H849-D879 IonicContact CE1-OD2 3.31Å; H849-D879 PolarHBondContact CE1-OD2 2.98Å; H849-D879 IonicContact ND1-OD2 2.69Å; H849-D879 IonicContact NE2-OD2 2.74Å; D850-D879 PolarHBondContact N-O 3.06Å; D879-D908 WeakPolarHBondContact CA-O 3.33Å; D879-D908 PolarHBondContact N-O 3.28Å | ||
| 880 | L | 58.8 | Low | 57.5 | Low | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | trans | -98.5 | 92.4 | 176.1 | -88.4 | -173.2 | 0 | 0 | 0 | 113.4 | I848 L851 I877 D908 L909 D910 | I848-L880 HydrophobicContact CG2-CD2 3.92Å; L851-L880 HydrophobicContact CB-CD2 3.51Å; L851-L880 HydrophobicContact CD1-CD2 4.04Å; L851-L880 HydrophobicContact CG-CD2 4.43Å; I877-L880 HydrophobicContact CD1-CD1 4.48Å; I877-L880 HydrophobicContact CG2-CB 4.49Å; I877-L880 HydrophobicContact CG2-CD1 3.31Å; I877-L880 HydrophobicContact CG2-CD2 4.47Å; I877-L880 HydrophobicContact CG2-CG 3.49Å; I877-L880 VanDerWaalsContact CG2-CG 3.49Å; L880-D908 PolarHBondContact N-O 3.42Å; L880-L909 HydrophobicContact CB-CD2 3.94Å; L880-L909 HydrophobicContact CB-CG 4.33Å; L880-L909 HydrophobicContact CD1-CD2 4.25Å; L880-L909 HydrophobicContact CD1-CG 4.33Å; L880-D910 VanDerWaalsContact O-CB 3.22Å; L880-D910 WeakPolarHBondContact O-CB 3.29Å | ||
| 881 | D | 55.8 | Low | 57.6 | Low | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 22% | 0.219 | S | C | . | . | trans | -45.4 | 147.5 | 178.6 | -116.6 | -54.9 | 0 | 0 | 0 | 115.5 | P853 I883 | P853-D881 HydrophobicContact CG-CB 4Å; D881-I883 PolarHBondContact O-N 3.45Å | ||
| 882 | P | 51.2 | Low | 58.3 | Low | 27 Ų | 27 | 39.9 Ų | 39.9 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | trans | -56.9 | 100.5 | -178.7 | -29.9 | 38.2 | 0 | 0 | 0 | 115.8 | H884 D910 | P882-H884 PolarHBondContact O-N 3.22Å; P882-D910 HydrophobicContact CG-CB 3.94Å | ||
| 883 | I | 54 | Low | 58.7 | Low | 14 Ų | 14 | 35.8 Ų | 35.8 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | trans | -67.4 | 101 | -176.6 | -45.6 | 178.3 | 0 | 0 | 0 | 112.5 | D881 H885 I893 I912 T922 | D881-I883 PolarHBondContact O-N 3.45Å; I883-H885 WeakPolarHBondContact CG2-CE1 3.41Å; I883-H885 PolarHBondContact O-N 2.7Å; I883-I893 HydrophobicContact CD1-CD1 3.72Å; I883-I893 HydrophobicContact CG2-CD1 4.25Å; I883-I912 HydrophobicContact CB-CG2 3.88Å; I883-I912 HydrophobicContact CG1-CG2 4.37Å; I883-T922 HydrophobicContact CD1-CG2 4.24Å | ||
| 884 | H | 49.9 | Very low | 59.2 | Low | 79 Ų | 79 | 35.9 Ų | 35.9 | 37% | 0.366 | 19% | 0.185 | S | C | . | . | trans | -82.1 | 90.4 | 175.2 | -84.6 | -36.1 | 0 | 0 | 0 | 113.1 | H855 P882 H913 | H855-H884 PolarHBondContact ND1-O 3.17Å; P882-H884 PolarHBondContact O-N 3.22Å; H884-H913 VanDerWaalsContact CE1-CB 3.42Å; H884-H913 WeakPolarHBondContact CE1-CB 3.38Å; H884-H913 AromaticContact CE1-CD2 3.74Å; H884-H913 AromaticContact CE1-CG 3.92Å; H884-H913 WeakPolarHBondContact ND1-CB 3.46Å | ||
| 885 | H | 52.9 | Low | 60.2 | Low | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | trans | -103.5 | 141.4 | 176.9 | -78.6 | -9.1 | 0 | 0 | 0 | 114.3 | I854 I883 I893 | I854-H885 PolarHBondContact O-CE1 3.43Å; I854-H885 PolarHBondContact O-ND1 3.35Å; I883-H885 WeakPolarHBondContact CG2-CE1 3.41Å; I883-H885 PolarHBondContact O-N 2.7Å; H885-I893 WeakPolarHBondContact NE2-CD1 3.36Å | ||
| 886 | Q | 50.4 | Low | 61.1 | Low | 102 Ų | 102 | 31.6 Ų | 31.6 | 48% | 0.477 | 16% | 0.16 | S | C | . | . | trans | -114.7 | -9.6 | -177.9 | -70.7 | -165.8 | -31.1 | 0 | 0 | 116 | N916 | Q886-N916 PolarHBondContact O-ND2 2.62Š| ||
| 887 | N | 51.3 | Low | 61.7 | Low | 68 Ų | 68 | 34.3 Ų | 34.3 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -138.6 | 164.5 | -176.9 | -85.4 | -33.1 | 0 | 0 | 0 | 113.1 | Q857 | Q857-N887 PolarHBondContact O-ND2 3.45Š|
| 888 | N | 52.7 | Low | 61.7 | Low | 56 Ų | 56 | 37 Ų | 37 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | trans | -77.4 | 130 | -165.4 | -54.9 | 6.9 | 0 | 0 | 0 | 113.2 | N917 | N888-N917 PolarHBondContact OD1-O 2.91Š| ||
| 889 | H | 55.2 | Low | 61.7 | Low | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | trans | -102 | 153.5 | 170.8 | -80.9 | -120.1 | 0 | 0 | 0 | 112.9 | ||||
| 890 | H | 58.4 | Low | 61.9 | Low | 84 Ų | 84 | 35.9 Ų | 35.9 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -121.5 | 11.9 | 179.5 | -74.1 | -57.3 | 0 | 0 | 0 | 114.4 | H860 H861 | H860-H890 PolarHBondContact O-N 3.38Å; H861-H890 AromaticContact CE1-CD2 3.89Å |
| 891 | D | 66 | Low | 62 | Low | 36 Ų | 36 | 38.3 Ų | 38.3 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -154.9 | 163.8 | 170.7 | -115.8 | -65.7 | 0 | 0 | 0 | 107.3 | K926 | D891-K926 IonicContact OD1-NZ 2.86Š|
| 892 | P | 70.8 | Confident | 62.4 | Low | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | trans | -74.3 | 156.8 | -172.3 | 33.8 | -36.2 | 0 | 0 | 0 | 112.3 | P863 P921 | P863-P892 WeakPolarHBondContact CA-O 3.3Å; P863-P892 HydrophobicContact CB-CG 4.32Å; P863-P892 WeakPolarHBondContact CB-O 3.36Å; P892-P921 WeakPolarHBondContact CA-O 3.3Å; P892-P921 HydrophobicContact CB-CG 4.23Å; P892-P921 WeakPolarHBondContact CB-O 3.37Å | ||
| 893 | I | 69.7 | Low | 62.7 | Low | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -67 | -45.7 | 180 | -60.5 | -177.4 | 0 | 0 | 0 | 110.8 | I864 V865 I883 H885 T922 | I864-I893 HydrophobicContact CB-CG2 4.29Å; I864-I893 HydrophobicContact CD1-CG2 4.19Å; I864-I893 HydrophobicContact CG1-CG2 4.37Å; I864-I893 PolarHBondContact N-O 2.75Å; V865-I893 PolarHBondContact N-O 2.79Å; V865-I893 VanDerWaalsContact N-O 3.11Å; I883-I893 HydrophobicContact CD1-CD1 3.72Å; I883-I893 HydrophobicContact CG2-CD1 4.25Å; H885-I893 WeakPolarHBondContact NE2-CD1 3.36Å; I893-T922 HydrophobicContact CB-CG2 4.41Å; I893-T922 WeakPolarHBondContact CB-O 3.49Å; I893-T922 HydrophobicContact CD1-CG2 3.92Å; I893-T922 HydrophobicContact CG1-CG2 4.35Å; I893-T922 PolarHBondContact N-O 3.43Å |
| 894 | V | 74.6 | Confident | 62.9 | Low | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.6 | 175.5 | -171 | 0 | 0 | 0 | 0 | 110.3 | I848 V865 F867 F896 T922 V923 S924 | I848-V894 HydrophobicContact CD1-CG1 4.37Å; V865-V894 HydrophobicContact CB-CG1 4.33Å; F867-V894 HydrophobicContact CE2-CG1 4.36Å; V894-F896 HydrophobicContact CB-CE2 4.45Å; V894-F896 HydrophobicContact CG1-CD2 4.27Å; V894-F896 HydrophobicContact CG1-CE2 3.41Å; V894-F896 VanDerWaalsContact CG1-CE2 3.41Å; V894-F896 HydrophobicContact CG1-CZ 3.71Å; V894-T922 PolarHBondContact N-O 3.05Å; V894-T922 VanDerWaalsContact N-O 3.17Å; V894-V923 HydrophobicContact CB-CG1 4.38Å; V894-S924 PolarHBondContact O-N 3.29Å |
| 895 | S | 79.3 | Confident | 63.7 | Low | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.8 | -177.6 | -166.1 | 0 | 0 | 0 | 0 | 114.4 | V865 S866 F867 K897 S924 | V865-S895 PolarHBondContact O-N 2.97Å; S866-S895 WeakPolarHBondContact CA-O 3.36Å; F867-S895 PolarHBondContact N-O 2.72Å; S895-K897 VanDerWaalsContact OG-CE 3.29Å; S895-K897 WeakPolarHBondContact OG-CE 3.47Å; S895-S924 WeakPolarHBondContact CA-O 3.49Å |
| 896 | F | 78.1 | Confident | 64.4 | Low | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.1 | 171.4 | -55.7 | -95.2 | 0 | 0 | 0 | 109.7 | F867 I876 V894 P899 V923 S924 F925 K926 | F867-F896 HydrophobicContact CB-CD1 3.62Å; F867-F896 HydrophobicContact CB-CE1 4.09Å; F867-F896 HydrophobicContact CB-CG 4.38Å; F867-F896 HydrophobicContact CD1-CE1 4.25Å; F867-F896 AromaticContact CD2-CD1 3.48Å; F867-F896 HydrophobicContact CD2-CD1 3.48Å; F867-F896 VanDerWaalsContact CD2-CD1 3.48Å; F867-F896 AromaticContact CD2-CE1 3.1Å; F867-F896 HydrophobicContact CD2-CE1 3.1Å; F867-F896 HydrophobicContact CD2-CE2 4.44Å; F867-F896 HydrophobicContact CD2-CG 4.26Å; F867-F896 AromaticContact CD2-CZ 3.64Å; F867-F896 HydrophobicContact CD2-CZ 3.64Å; F867-F896 HydrophobicContact CE2-CD1 4.29Å; F867-F896 AromaticContact CE2-CE1 3.46Å; F867-F896 HydrophobicContact CE2-CE1 3.46Å; F867-F896 VanDerWaalsContact CE2-CE1 3.46Å; F867-F896 AromaticContact CE2-CZ 3.68Å; F867-F896 HydrophobicContact CE2-CZ 3.68Å; F867-F896 AromaticContact CG-CD1 3.65Å; F867-F896 HydrophobicContact CG-CD1 3.65Å; F867-F896 AromaticContact CG-CE1 3.56Å; F867-F896 HydrophobicContact CG-CE1 3.56Å; F867-F896 HydrophobicContact CG-CZ 4.5Å; F867-F896 HydrophobicContact CZ-CE1 4.19Å; I876-F896 HydrophobicContact CD1-CE1 4.17Å; I876-F896 HydrophobicContact CD1-CZ 4.3Å; I876-F896 HydrophobicContact CG2-CE1 3.65Å; I876-F896 HydrophobicContact CG2-CZ 3.52Å; V894-F896 HydrophobicContact CB-CE2 4.45Å; V894-F896 HydrophobicContact CG1-CD2 4.27Å; V894-F896 HydrophobicContact CG1-CE2 3.41Å; V894-F896 VanDerWaalsContact CG1-CE2 3.41Å; V894-F896 HydrophobicContact CG1-CZ 3.71Å; F896-P899 HydrophobicContact CB-CG 4.1Å; F896-V923 HydrophobicContact CE2-CG1 4.32Å; F896-S924 PolarHBondContact N-O 3.17Å; F896-F925 HydrophobicContact CB-CD1 3.71Å; F896-F925 HydrophobicContact CB-CE1 4.1Å; F896-F925 HydrophobicContact CD1-CE1 4.25Å; F896-F925 AromaticContact CD2-CD1 3.53Å; F896-F925 HydrophobicContact CD2-CD1 3.53Å; F896-F925 AromaticContact CD2-CE1 3.11Å; F896-F925 HydrophobicContact CD2-CE1 3.11Å; F896-F925 HydrophobicContact CD2-CE2 4.43Å; F896-F925 HydrophobicContact CD2-CG 4.32Å; F896-F925 AromaticContact CD2-CZ 3.61Å; F896-F925 HydrophobicContact CD2-CZ 3.61Å; F896-F925 HydrophobicContact CE2-CD1 4.36Å; F896-F925 AromaticContact CE2-CE1 3.51Å; F896-F925 HydrophobicContact CE2-CE1 3.51Å; F896-F925 AromaticContact CE2-CZ 3.65Å; F896-F925 HydrophobicContact CE2-CZ 3.65Å; F896-F925 AromaticContact CG-CD1 3.72Å; F896-F925 HydrophobicContact CG-CD1 3.72Å; F896-F925 AromaticContact CG-CE1 3.56Å; F896-F925 HydrophobicContact CG-CE1 3.56Å; F896-F925 HydrophobicContact CG-CZ 4.46Å; F896-F925 HydrophobicContact CZ-CE1 4.25Å; F896-K926 PolarHBondContact O-N 3.28Å |
| 897 | K | 76.9 | Confident | 65.1 | Low | 56 Ų | 56 | 31.4 Ų | 31.4 | 24% | 0.243 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.1 | -176.3 | -65.4 | 172.8 | 179.7 | 172.3 | 0 | 109.1 | F867 K868 S869 S895 P899 K926 | F867-K897 PolarHBondContact O-N 3.27Å; K868-K897 WeakPolarHBondContact CA-O 3.35Å; K868-K897 HydrophobicContact CG-CB 4.39Å; K868-K897 HydrophobicContact CG-CD 4.5Å; S869-K897 PolarHBondContact N-O 3.44Å; S895-K897 VanDerWaalsContact OG-CE 3.29Å; S895-K897 WeakPolarHBondContact OG-CE 3.47Å; K897-P899 VanDerWaalsContact C-CD 3.46Å; K897-K926 WeakPolarHBondContact CA-O 3.33Å; K897-K926 HydrophobicContact CG-CB 4.46Å |
| 898 | S | 67 | Low | 65.6 | Low | 59 Ų | 59 | 31 Ų | 31 | 41% | 0.413 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58 | 45.1 | -177.1 | -50.4 | 0 | 0 | 0 | 0 | 118.6 | S869 K926 S927 | S869-S898 WeakPolarHBondContact CA-O 3.28Å; S898-K926 PolarHBondContact N-O 2.67Å; S898-S927 WeakPolarHBondContact CA-O 3.25Å |
| 899 | P | 64.4 | Low | 66 | Low | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 143 | 178.2 | 37.7 | -38.8 | 0 | 0 | 0 | 114.1 | S870 F873 F896 K897 F902 P928 G929 | S870-P899 VanDerWaalsContact OG-CA 3.23Å; S870-P899 WeakPolarHBondContact OG-CA 3.26Å; S870-P899 WeakPolarHBondContact OG-CB 3.49Å; F873-P899 HydrophobicContact CD2-CB 4.42Å; F873-P899 HydrophobicContact CE2-CB 4.18Å; F896-P899 HydrophobicContact CB-CG 4.1Å; K897-P899 VanDerWaalsContact C-CD 3.46Å; P899-F902 HydrophobicContact CB-CE1 4.47Å; P899-F902 HydrophobicContact CB-CE2 3.78Å; P899-F902 HydrophobicContact CB-CZ 3.41Å; P899-F902 VanDerWaalsContact CB-CZ 3.41Å; P899-F902 HydrophobicContact CG-CE2 3.66Å; P899-F902 HydrophobicContact CG-CZ 3.38Å; P899-P928 HydrophobicContact CG-CB 3.83Å; P899-P928 CarbonylContact O-C 3.58Å; P899-P928 VanDerWaalsContact O-CA 3.27Å; P899-P928 WeakPolarHBondContact O-CA 3.46Å; P899-G929 PolarHBondContact O-N 3.39Å |
| 900 | N | 62.2 | Low | 66.1 | Low | 65 Ų | 65 | 31.2 Ų | 31.2 | 35% | 0.348 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.8 | 179.1 | -57.7 | -42.8 | 0 | 0 | 0 | 113.1 | S870 N871 H872 | S870-N900 WeakPolarHBondContact O-CB 3.4Å; S870-N900 PolarHBondContact O-N 2.82Å; S870-N900 PolarHBondContact O-ND2 2.9Å; N871-N900 CarbonylContact C-O 3.57Å; N871-N900 WeakPolarHBondContact CA-O 3.43Å; N871-N900 PolarHBondContact OD1-ND2 3.23Å; H872-N900 PolarHBondContact N-O 3.05Å |
| 901 | N | 61.9 | Low | 65.8 | Low | 63 Ų | 63 | 28.2 Ų | 28.2 | 34% | 0.337 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.5 | 115.5 | 171.3 | -62.1 | 12.1 | 0 | 0 | 0 | 115.1 | H872 F873 D930 | H872-N901 VanDerWaalsContact CA-O 3.28Å; H872-N901 WeakPolarHBondContact CA-O 3.5Å; H872-N901 PolarHBondContact CE1-ND2 3.24Å; H872-N901 PolarHBondContact NE2-ND2 3.32Å; F873-N901 PolarHBondContact N-O 2.85Å; F873-N901 VanDerWaalsContact N-O 3.12Å; N901-D930 WeakPolarHBondContact CA-O 3.42Å |
| 902 | F | 63.2 | Low | 65.4 | Low | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 153.7 | -177.5 | -66.8 | -95.2 | 0 | 0 | 0 | 113.1 | F873 I876 P899 P928 D930 F931 I932 | F873-F902 HydrophobicContact CB-CD1 3.66Å; F873-F902 HydrophobicContact CB-CE1 3.86Å; F873-F902 HydrophobicContact CD2-CD1 4.11Å; F873-F902 AromaticContact CD2-CE1 3.42Å; F873-F902 HydrophobicContact CD2-CE1 3.42Å; F873-F902 VanDerWaalsContact CD2-CE1 3.42Å; F873-F902 AromaticContact CD2-CZ 3.91Å; F873-F902 HydrophobicContact CD2-CZ 3.91Å; F873-F902 HydrophobicContact CE2-CE1 4.36Å; F873-F902 HydrophobicContact CG-CD1 4.4Å; F873-F902 HydrophobicContact CG-CE1 4.11Å; F873-F902 WeakPolarHBondContact O-CA 3.21Å; I876-F902 HydrophobicContact CD1-CD1 3.67Å; I876-F902 HydrophobicContact CD1-CE1 3.34Å; I876-F902 HydrophobicContact CD1-CZ 4.48Å; I876-F902 HydrophobicContact CG1-CD1 4.29Å; I876-F902 HydrophobicContact CG1-CE1 4.29Å; P899-F902 HydrophobicContact CB-CE1 4.47Å; P899-F902 HydrophobicContact CB-CE2 3.78Å; P899-F902 HydrophobicContact CB-CZ 3.41Å; P899-F902 VanDerWaalsContact CB-CZ 3.41Å; P899-F902 HydrophobicContact CG-CE2 3.66Å; P899-F902 HydrophobicContact CG-CZ 3.38Å; F902-P928 HydrophobicContact CE2-CB 4.24Å; F902-D930 PolarHBondContact N-O 2.89Å; F902-F931 HydrophobicContact CB-CD1 3.47Å; F902-F931 VanDerWaalsContact CB-CD1 3.47Å; F902-F931 HydrophobicContact CB-CE1 3.77Å; F902-F931 HydrophobicContact CB-CG 4.42Å; F902-F931 HydrophobicContact CD1-CE1 4.12Å; F902-F931 AromaticContact CD2-CD1 3.57Å; F902-F931 HydrophobicContact CD2-CD1 3.57Å; F902-F931 AromaticContact CD2-CE1 3.09Å; F902-F931 HydrophobicContact CD2-CE1 3.09Å; F902-F931 HydrophobicContact CD2-CE2 4.39Å; F902-F931 HydrophobicContact CD2-CG 4.37Å; F902-F931 AromaticContact CD2-CZ 3.6Å; F902-F931 HydrophobicContact CD2-CZ 3.6Å; F902-F931 HydrophobicContact CE1-CE1 4.41Å; F902-F931 HydrophobicContact CE2-CD1 4.37Å; F902-F931 AromaticContact CE2-CE1 3.47Å; F902-F931 HydrophobicContact CE2-CE1 3.47Å; F902-F931 VanDerWaalsContact CE2-CE1 3.47Å; F902-F931 AromaticContact CE2-CZ 3.58Å; F902-F931 HydrophobicContact CE2-CZ 3.58Å; F902-F931 AromaticContact CG-CD1 3.7Å; F902-F931 HydrophobicContact CG-CD1 3.7Å; F902-F931 AromaticContact CG-CE1 3.43Å; F902-F931 HydrophobicContact CG-CE1 3.43Å; F902-F931 VanDerWaalsContact CG-CE1 3.43Å; F902-F931 HydrophobicContact CG-CZ 4.35Å; F902-F931 HydrophobicContact CZ-CE1 4.09Å; F902-F931 HydrophobicContact CZ-CZ 4.33Å; F902-I932 PolarHBondContact O-N 3.41Å |
| 903 | T | 58.6 | Low | 64.5 | Low | 50 Ų | 50 | 29.5 Ų | 29.5 | 31% | 0.307 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 124.5 | 161.3 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | F873 T874 N875 I932 | F873-T903 PolarHBondContact O-N 3.34Å; F873-T903 VanDerWaalsContact O-N 3.16Å; T874-T903 VanDerWaalsContact CA-O 3.27Å; T874-T903 WeakPolarHBondContact CA-O 3.37Å; T874-T903 PolarHBondContact OG1-OG1 2.97Å; T874-T903 VanDerWaalsContact OG1-OG1 3.07Å; N875-T903 PolarHBondContact N-O 3.14Å; T903-I932 WeakPolarHBondContact CA-O 3.37Å; T903-I932 HydrophobicContact CG2-CB 4.46Å |
| 904 | N | 58.4 | Low | 63.7 | Low | 40 Ų | 40 | 29.2 Ų | 29.2 | 21% | 0.214 | 16% | 0.157 | C | C | . | . | trans | 58.2 | 94.6 | 179.9 | -57.6 | 31.2 | 0 | 0 | 0 | 112.1 | N875 I876 D933 | N875-N904 WeakPolarHBondContact CA-O 3.42Å; N875-N904 PolarHBondContact N-O 3.24Å; N875-N904 WeakPolarHBondContact OD1-CB 3.42Å; I876-N904 PolarHBondContact N-O 2.6Å; N904-D933 WeakPolarHBondContact CA-O 3.45Å; N904-D933 PolarHBondContact N-O 2.87Å | ||
| 905 | I | 65.6 | Low | 62.5 | Low | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -82 | -47.2 | -178.8 | -50.6 | 179.6 | 0 | 0 | 0 | 110.7 | I876 I877 F925 F931 T934 F954 | I876-I905 WeakPolarHBondContact CB-O 3.36Å; I876-I905 HydrophobicContact CD1-CB 4.21Å; I876-I905 HydrophobicContact CD1-CG2 3.46Å; I876-I905 VanDerWaalsContact CD1-CG2 3.46Å; I876-I905 HydrophobicContact CG1-CG2 4.28Å; I876-I905 PolarHBondContact N-O 2.78Å; I877-I905 PolarHBondContact N-O 2.67Å; I905-F925 HydrophobicContact CG2-CE1 3.59Å; I905-F925 HydrophobicContact CG2-CE2 3.96Å; I905-F925 HydrophobicContact CG2-CZ 3.17Å; I905-F931 HydrophobicContact CD1-CD1 3.52Å; I905-F931 HydrophobicContact CD1-CE1 3.24Å; I905-F931 HydrophobicContact CD1-CZ 4.2Å; I905-F931 HydrophobicContact CG1-CD1 4.07Å; I905-F931 HydrophobicContact CG1-CE1 3.98Å; I905-T934 WeakPolarHBondContact CB-O 3.18Å; I905-T934 HydrophobicContact CD1-CG2 3.41Å; I905-T934 VanDerWaalsContact CD1-CG2 3.41Å; I905-T934 HydrophobicContact CG1-CG2 4.26Å; I905-T934 WeakPolarHBondContact CG1-O 3.48Å; I905-T934 PolarHBondContact N-O 2.72Å; I905-F954 HydrophobicContact CD1-CE1 3.56Å; I905-F954 HydrophobicContact CD1-CZ 3.92Å | ||
| 906 | I | 68 | Low | 61.2 | Low | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -133 | 134.8 | -168.2 | -69.5 | 167.7 | 0 | 0 | 0 | 107.3 | I877 L909 I935 H936 V952 | I877-I906 HydrophobicContact CB-CG1 4.37Å; I877-I906 HydrophobicContact CD1-CG1 4.28Å; I906-L909 HydrophobicContact CD1-CD1 4.38Å; I906-L909 HydrophobicContact CG2-CB 3.88Å; I906-L909 HydrophobicContact CG2-CD1 3.81Å; I906-L909 HydrophobicContact CG2-CG 4.15Å; I906-I935 HydrophobicContact CB-CG2 4.08Å; I906-I935 HydrophobicContact CG2-CG2 3.89Å; I906-H936 PolarHBondContact O-N 3.24Å; I906-V952 HydrophobicContact CD1-CG1 4.1Å; I906-V952 HydrophobicContact CD1-CG2 4.3Å |
| 907 | H | 65.5 | Low | 59.9 | Low | 49 Ų | 49 | 39.2 Ų | 39.2 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | trans | -142.8 | 142.4 | 174 | -149.8 | -72.9 | 0 | 0 | 0 | 105.8 | I877 H878 D937 | I877-H907 PolarHBondContact O-N 2.78Å; I877-H907 VanDerWaalsContact O-N 3.16Å; H878-H907 WeakPolarHBondContact CA-O 3.48Å; H907-D937 IonicContact CE1-OD2 3.69Å; H907-D937 PolarHBondContact CE1-OD2 3.07Å; H907-D937 VanDerWaalsContact CE1-OD2 3.29Å; H907-D937 IonicContact ND1-OD2 3.88Å; H907-D937 IonicContact NE2-OD2 2.72Å | ||
| 908 | D | 60.4 | Low | 58.9 | Low | 58 Ų | 58 | 36.9 Ų | 36.9 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | trans | 47.5 | 75.1 | 176 | -55.4 | -57.5 | 0 | 0 | 0 | 114 | H878 D879 L880 | H878-D908 IonicContact CE1-OD2 2.63Å; D879-D908 WeakPolarHBondContact CA-O 3.33Å; D879-D908 PolarHBondContact N-O 3.28Å; L880-D908 PolarHBondContact N-O 3.42Å | ||
| 909 | L | 61 | Low | 58.5 | Low | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -111.6 | 94.9 | -176 | -148.4 | -167.3 | 0 | 0 | 0 | 112.7 | L880 I906 I912 D937 L938 D939 V952 | L880-L909 HydrophobicContact CB-CD2 3.94Å; L880-L909 HydrophobicContact CB-CG 4.33Å; L880-L909 HydrophobicContact CD1-CD2 4.25Å; L880-L909 HydrophobicContact CD1-CG 4.33Å; I906-L909 HydrophobicContact CD1-CD1 4.38Å; I906-L909 HydrophobicContact CG2-CB 3.88Å; I906-L909 HydrophobicContact CG2-CD1 3.81Å; I906-L909 HydrophobicContact CG2-CG 4.15Å; L909-I912 HydrophobicContact CD2-CD1 4.39Å; L909-D937 PolarHBondContact N-O 2.66Å; L909-L938 HydrophobicContact CB-CD2 4.45Å; L909-L938 HydrophobicContact CD1-CD2 4.4Å; L909-D939 VanDerWaalsContact O-CB 3.28Å; L909-D939 WeakPolarHBondContact O-CB 3.42Å; L909-D939 PolarHBondContact O-N 3.14Å; L909-V952 HydrophobicContact CD1-CG2 4.42Å |
| 910 | D | 57.7 | Low | 58.5 | Low | 62 Ų | 62 | 39.7 Ų | 39.7 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | trans | -58 | 158 | -171.6 | -114 | -57.8 | 0 | 0 | 0 | 115.9 | L880 P882 I912 | L880-D910 VanDerWaalsContact O-CB 3.22Å; L880-D910 WeakPolarHBondContact O-CB 3.29Å; P882-D910 HydrophobicContact CG-CB 3.94Å; D910-I912 PolarHBondContact O-N 3.3Å | ||
| 911 | P | 53.2 | Low | 58.9 | Low | 21 Ų | 21 | 36.7 Ų | 36.7 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | trans | -62.7 | 100.2 | -178.8 | -28.5 | 40.2 | 0 | 0 | 0 | 115.9 | H913 D939 P940 | P911-H913 PolarHBondContact O-N 3.04Å; P911-D939 HydrophobicContact CG-CB 3.98Å; P911-P940 WeakPolarHBondContact CB-O 3.3Å | ||
| 912 | I | 56.3 | Low | 59.3 | Low | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | trans | -68.6 | 117.6 | -178.7 | -38 | -173.2 | 0 | 0 | 0 | 113.4 | I883 L909 D910 H914 T922 V941 T951 | I883-I912 HydrophobicContact CB-CG2 3.88Å; I883-I912 HydrophobicContact CG1-CG2 4.37Å; L909-I912 HydrophobicContact CD2-CD1 4.39Å; D910-I912 PolarHBondContact O-N 3.3Å; I912-H914 VanDerWaalsContact CG2-NE2 3.31Å; I912-H914 WeakPolarHBondContact CG2-NE2 3.43Å; I912-H914 PolarHBondContact O-N 2.92Å; I912-T922 HydrophobicContact CD1-CG2 3.58Å; I912-V941 HydrophobicContact CB-CG1 4.02Å; I912-V941 HydrophobicContact CG1-CG1 4.44Å; I912-V941 WeakPolarHBondContact O-CG1 3.36Å; I912-T951 HydrophobicContact CD1-CG2 3.78Å | ||
| 913 | H | 52.3 | Low | 59.8 | Low | 59 Ų | 59 | 33.7 Ų | 33.7 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | trans | -96.1 | 78.2 | -176.5 | -89.4 | -43.3 | 0 | 0 | 0 | 114 | H884 P911 H942 | H884-H913 VanDerWaalsContact CE1-CB 3.42Å; H884-H913 WeakPolarHBondContact CE1-CB 3.38Å; H884-H913 AromaticContact CE1-CD2 3.74Å; H884-H913 AromaticContact CE1-CG 3.92Å; H884-H913 WeakPolarHBondContact ND1-CB 3.46Å; P911-H913 PolarHBondContact O-N 3.04Å; H913-H942 WeakPolarHBondContact CE1-CB 3.47Å; H913-H942 AromaticContact CE1-CD2 3.81Å; H913-H942 AromaticContact CE1-CG 3.99Å; H913-H942 WeakPolarHBondContact ND1-CB 3.35Å; H913-H942 PolarHBondContact ND1-O 2.83Å | ||
| 914 | H | 52.1 | Low | 60.9 | Low | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | trans | -76.4 | 126.9 | 173.5 | -61.9 | -89.9 | 0 | 0 | 0 | 112.9 | I912 H918 H943 Y947 | I912-H914 VanDerWaalsContact CG2-NE2 3.31Å; I912-H914 WeakPolarHBondContact CG2-NE2 3.43Å; I912-H914 PolarHBondContact O-N 2.92Å; H914-H918 AromaticContact CE1-CE1 3.98Å; H914-H918 AromaticContact CE1-NE2 3.91Å; H914-H918 AromaticContact ND1-CD2 3.7Å; H914-H918 AromaticContact ND1-CE1 3.97Å; H914-H918 AromaticContact ND1-NE2 3.45Å; H914-H918 PolarHBondContact ND1-NE2 2.85Å; H914-H943 AromaticContact CD2-CE1 3.98Å; H914-H943 AromaticContact CD2-ND1 3.9Å; H914-Y947 HydrophobicContact CB-CD2 4.42Å; H914-Y947 HydrophobicContact CB-CE2 3.88Å; H914-Y947 AromaticContact CD2-CE2 3.86Å; H914-Y947 AromaticContact CE1-CZ 4Å; H914-Y947 PolarHBondContact CE1-OH 2.87Å; H914-Y947 AromaticContact CG-CE2 3.59Å; H914-Y947 AromaticContact ND1-CE2 3.79Å; H914-Y947 AromaticContact NE2-CZ 3.94Å; H914-Y947 PolarHBondContact NE2-OH 3.45Å | ||
| 915 | Q | 49.8 | Very low | 61.8 | Low | 79 Ų | 79 | 29.4 Ų | 29.4 | 37% | 0.369 | 15% | 0.149 | S | C | . | . | trans | -93.4 | -24.1 | 175.8 | -68.6 | -174.3 | -10.5 | 0 | 0 | 114.3 | N945 | Q915-N945 PolarHBondContact O-ND2 2.9Š| ||
| 916 | N | 52 | Low | 62.3 | Low | 71 Ų | 71 | 31.9 Ų | 31.9 | 38% | 0.38 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -135.7 | 167.7 | -174.4 | -83.7 | -35.6 | 0 | 0 | 0 | 113.1 | Q886 | Q886-N916 PolarHBondContact O-ND2 2.62Š|
| 917 | N | 51.5 | Low | 62.3 | Low | 64 Ų | 64 | 35.1 Ų | 35.1 | 34% | 0.342 | 18% | 0.183 | S | C | . | . | trans | -65.6 | 128 | -170.4 | -57.2 | 9.4 | 0 | 0 | 0 | 113.5 | N888 N946 | N888-N917 PolarHBondContact OD1-O 2.91Å; N917-N946 PolarHBondContact OD1-O 2.82Å | ||
| 918 | H | 55.1 | Low | 62.3 | Low | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | trans | -105.1 | 161 | 167.4 | -87.2 | -123.8 | 0 | 0 | 0 | 112.5 | H914 Y947 | H914-H918 AromaticContact CE1-CE1 3.98Å; H914-H918 AromaticContact CE1-NE2 3.91Å; H914-H918 AromaticContact ND1-CD2 3.7Å; H914-H918 AromaticContact ND1-CE1 3.97Å; H914-H918 AromaticContact ND1-NE2 3.45Å; H914-H918 PolarHBondContact ND1-NE2 2.85Å; H918-Y947 HydrophobicContact CB-CD2 4.38Å; H918-Y947 HydrophobicContact CB-CE1 4.3Å; H918-Y947 HydrophobicContact CB-CE2 3.62Å; H918-Y947 WeakPolarHBondContact CB-OH 3.46Å; H918-Y947 AromaticContact CG-CE2 3.95Å; H918-Y947 AromaticContact CG-CZ 3.95Å | ||
| 919 | H | 58.6 | Low | 62.6 | Low | 88 Ų | 88 | 30.2 Ų | 30.2 | 41% | 0.407 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -132.8 | 17.3 | 178.6 | -69.7 | -53 | 0 | 0 | 0 | 113.9 | ||
| 920 | D | 65.3 | Low | 62.7 | Low | 33 Ų | 33 | 33.1 Ų | 33.1 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -157.6 | 160.9 | 171.5 | -112.2 | -64.3 | 0 | 0 | 0 | 108.3 | K955 | D920-K955 IonicContact OD1-NZ 3.99Š|
| 921 | P | 70.2 | Confident | 63 | Low | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | trans | -77.6 | 156.2 | -170.1 | 34.5 | -36.8 | 0 | 0 | 0 | 112.6 | P892 V923 P950 | P892-P921 WeakPolarHBondContact CA-O 3.3Å; P892-P921 HydrophobicContact CB-CG 4.23Å; P892-P921 WeakPolarHBondContact CB-O 3.37Å; P921-V923 PolarHBondContact O-N 3.34Å; P921-P950 WeakPolarHBondContact CA-O 3.1Å; P921-P950 HydrophobicContact CB-CG 4.18Å; P921-P950 WeakPolarHBondContact CB-O 3.27Å | ||
| 922 | T | 69.9 | Low | 63.2 | Low | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -61.8 | -46.8 | 177.4 | -48.1 | 0 | 0 | 0 | 0 | 111.4 | I883 I893 V894 I912 T951 | I883-T922 HydrophobicContact CD1-CG2 4.24Å; I893-T922 HydrophobicContact CB-CG2 4.41Å; I893-T922 WeakPolarHBondContact CB-O 3.49Å; I893-T922 HydrophobicContact CD1-CG2 3.92Å; I893-T922 HydrophobicContact CG1-CG2 4.35Å; I893-T922 PolarHBondContact N-O 3.43Å; V894-T922 PolarHBondContact N-O 3.05Å; V894-T922 VanDerWaalsContact N-O 3.17Å; I912-T922 HydrophobicContact CD1-CG2 3.58Å; T922-T951 WeakPolarHBondContact CA-O 3.34Å; T922-T951 VanDerWaalsContact CB-O 3.3Å; T922-T951 WeakPolarHBondContact CB-O 3.29Å; T922-T951 PolarHBondContact N-O 3.49Å |
| 923 | V | 75.3 | Confident | 63.4 | Low | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.8 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | I877 V894 F896 P921 F925 T951 V952 S953 | I877-V923 HydrophobicContact CD1-CG1 4.28Å; V894-V923 HydrophobicContact CB-CG1 4.38Å; F896-V923 HydrophobicContact CE2-CG1 4.32Å; P921-V923 PolarHBondContact O-N 3.34Å; V923-F925 HydrophobicContact CG1-CD2 4.32Å; V923-F925 HydrophobicContact CG1-CE2 3.47Å; V923-F925 VanDerWaalsContact CG1-CE2 3.47Å; V923-F925 HydrophobicContact CG1-CZ 3.79Å; V923-T951 PolarHBondContact N-O 3.45Å; V923-T951 VanDerWaalsContact N-O 3.09Å; V923-V952 HydrophobicContact CB-CG1 4.42Å; V923-S953 PolarHBondContact O-N 3.43Å |
| 924 | S | 79.9 | Confident | 64 | Low | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.1 | -177.7 | -165.4 | 0 | 0 | 0 | 0 | 114.9 | V894 S895 F896 K926 S953 | V894-S924 PolarHBondContact O-N 3.29Å; S895-S924 WeakPolarHBondContact CA-O 3.49Å; F896-S924 PolarHBondContact N-O 3.17Å; S924-K926 VanDerWaalsContact OG-CE 3.29Å; S924-K926 WeakPolarHBondContact OG-CE 3.21Å; S924-S953 WeakPolarHBondContact CA-O 3.41Å |
| 925 | F | 78.5 | Confident | 64.8 | Low | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.5 | 170.6 | -58.2 | -89 | 0 | 0 | 0 | 109.5 | I876 F896 I905 V923 P928 V952 S953 F954 K955 | I876-F925 HydrophobicContact CD1-CE1 4.06Å; F896-F925 HydrophobicContact CB-CD1 3.71Å; F896-F925 HydrophobicContact CB-CE1 4.1Å; F896-F925 HydrophobicContact CD1-CE1 4.25Å; F896-F925 AromaticContact CD2-CD1 3.53Å; F896-F925 HydrophobicContact CD2-CD1 3.53Å; F896-F925 AromaticContact CD2-CE1 3.11Å; F896-F925 HydrophobicContact CD2-CE1 3.11Å; F896-F925 HydrophobicContact CD2-CE2 4.43Å; F896-F925 HydrophobicContact CD2-CG 4.32Å; F896-F925 AromaticContact CD2-CZ 3.61Å; F896-F925 HydrophobicContact CD2-CZ 3.61Å; F896-F925 HydrophobicContact CE2-CD1 4.36Å; F896-F925 AromaticContact CE2-CE1 3.51Å; F896-F925 HydrophobicContact CE2-CE1 3.51Å; F896-F925 AromaticContact CE2-CZ 3.65Å; F896-F925 HydrophobicContact CE2-CZ 3.65Å; F896-F925 AromaticContact CG-CD1 3.72Å; F896-F925 HydrophobicContact CG-CD1 3.72Å; F896-F925 AromaticContact CG-CE1 3.56Å; F896-F925 HydrophobicContact CG-CE1 3.56Å; F896-F925 HydrophobicContact CG-CZ 4.46Å; F896-F925 HydrophobicContact CZ-CE1 4.25Å; I905-F925 HydrophobicContact CG2-CE1 3.59Å; I905-F925 HydrophobicContact CG2-CE2 3.96Å; I905-F925 HydrophobicContact CG2-CZ 3.17Å; V923-F925 HydrophobicContact CG1-CD2 4.32Å; V923-F925 HydrophobicContact CG1-CE2 3.47Å; V923-F925 VanDerWaalsContact CG1-CE2 3.47Å; V923-F925 HydrophobicContact CG1-CZ 3.79Å; F925-P928 HydrophobicContact CB-CG 4.39Å; F925-V952 HydrophobicContact CE2-CG1 4.34Å; F925-S953 PolarHBondContact N-O 3.32Å; F925-F954 HydrophobicContact CB-CD1 3.7Å; F925-F954 HydrophobicContact CB-CE1 4.13Å; F925-F954 HydrophobicContact CB-CG 4.43Å; F925-F954 HydrophobicContact CD1-CE1 4.42Å; F925-F954 AromaticContact CD2-CD1 3.63Å; F925-F954 HydrophobicContact CD2-CD1 3.63Å; F925-F954 AromaticContact CD2-CE1 3.29Å; F925-F954 HydrophobicContact CD2-CE1 3.29Å; F925-F954 HydrophobicContact CD2-CE2 4.37Å; F925-F954 HydrophobicContact CD2-CG 4.3Å; F925-F954 AromaticContact CD2-CZ 3.71Å; F925-F954 HydrophobicContact CD2-CZ 3.71Å; F925-F954 AromaticContact CE2-CE1 3.79Å; F925-F954 HydrophobicContact CE2-CE1 3.79Å; F925-F954 AromaticContact CE2-CZ 3.87Å; F925-F954 HydrophobicContact CE2-CZ 3.87Å; F925-F954 AromaticContact CG-CD1 3.79Å; F925-F954 HydrophobicContact CG-CD1 3.79Å; F925-F954 AromaticContact CG-CE1 3.68Å; F925-F954 HydrophobicContact CG-CE1 3.68Å; F925-K955 PolarHBondContact O-N 2.78Å |
| 926 | K | 76.7 | Confident | 65.7 | Low | 52 Ų | 52 | 30.2 Ų | 30.2 | 23% | 0.226 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.1 | -176.5 | -66.2 | 173.3 | 179.4 | 172.5 | 0 | 109.5 | D891 F896 K897 S898 S924 | D891-K926 IonicContact OD1-NZ 2.86Å; F896-K926 PolarHBondContact O-N 3.28Å; K897-K926 WeakPolarHBondContact CA-O 3.33Å; K897-K926 HydrophobicContact CG-CB 4.46Å; S898-K926 PolarHBondContact N-O 2.67Å; S924-K926 VanDerWaalsContact OG-CE 3.29Å; S924-K926 WeakPolarHBondContact OG-CE 3.21Å |
| 927 | S | 66.6 | Low | 66.1 | Low | 69 Ų | 69 | 29.4 Ų | 29.4 | 48% | 0.483 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 55 | 47.1 | -176.6 | -53.1 | 0 | 0 | 0 | 0 | 117.1 | S898 K955 S956 | S898-S927 WeakPolarHBondContact CA-O 3.25Å; S927-K955 PolarHBondContact N-O 3.28Å; S927-S956 WeakPolarHBondContact CA-O 3.2Å |
| 928 | P | 65.7 | Low | 66.6 | Low | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | trans | -79.2 | 159.1 | 179 | 36.9 | -39.5 | 0 | 0 | 0 | 114 | P899 F902 F925 F931 P957 N958 | P899-P928 HydrophobicContact CG-CB 3.83Å; P899-P928 CarbonylContact O-C 3.58Å; P899-P928 VanDerWaalsContact O-CA 3.27Å; P899-P928 WeakPolarHBondContact O-CA 3.46Å; F902-P928 HydrophobicContact CE2-CB 4.24Å; F925-P928 HydrophobicContact CB-CG 4.39Å; P928-F931 HydrophobicContact CB-CE2 3.52Å; P928-F931 HydrophobicContact CB-CZ 3.44Å; P928-F931 VanDerWaalsContact CB-CZ 3.44Å; P928-F931 HydrophobicContact CG-CE2 3.51Å; P928-F931 HydrophobicContact CG-CZ 3.7Å; P928-P957 HydrophobicContact CG-CB 3.8Å; P928-P957 WeakPolarHBondContact O-CA 3.43Å; P928-N958 PolarHBondContact O-N 3.1Å; P928-N958 VanDerWaalsContact O-N 3.12Å | ||
| 929 | G | 66 | Low | 66.7 | Low | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | -75.8 | -143.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P899 F931 | P899-G929 PolarHBondContact O-N 3.39Å; G929-F931 WeakPolarHBondContact O-CD2 3.28Å | ||
| 930 | D | 63.5 | Low | 66.5 | Low | 68 Ų | 68 | 26 Ų | 26 | 36% | 0.364 | 14% | 0.142 | S | C | . | . | trans | -83.6 | 144.5 | -178.6 | -60.3 | -38.1 | 0 | 0 | 0 | 112.3 | N901 F902 N958 N959 | N901-D930 WeakPolarHBondContact CA-O 3.42Å; F902-D930 PolarHBondContact N-O 2.89Å; D930-N958 WeakPolarHBondContact OD1-CB 3.43Å; D930-N959 WeakPolarHBondContact CA-O 3.38Å; D930-N959 WeakPolarHBondContact OD1-CB 3.41Å; D930-N959 PolarHBondContact OD1-N 2.77Å; D930-N959 PolarHBondContact OD1-ND2 3.13Å | ||
| 931 | F | 65.4 | Low | 66 | Low | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.1 | 179.7 | -66.9 | -92.5 | 0 | 0 | 0 | 112.8 | F902 I905 P928 G929 P957 N959 F960 T961 | F902-F931 HydrophobicContact CB-CD1 3.47Å; F902-F931 VanDerWaalsContact CB-CD1 3.47Å; F902-F931 HydrophobicContact CB-CE1 3.77Å; F902-F931 HydrophobicContact CB-CG 4.42Å; F902-F931 HydrophobicContact CD1-CE1 4.12Å; F902-F931 AromaticContact CD2-CD1 3.57Å; F902-F931 HydrophobicContact CD2-CD1 3.57Å; F902-F931 AromaticContact CD2-CE1 3.09Å; F902-F931 HydrophobicContact CD2-CE1 3.09Å; F902-F931 HydrophobicContact CD2-CE2 4.39Å; F902-F931 HydrophobicContact CD2-CG 4.37Å; F902-F931 AromaticContact CD2-CZ 3.6Å; F902-F931 HydrophobicContact CD2-CZ 3.6Å; F902-F931 HydrophobicContact CE1-CE1 4.41Å; F902-F931 HydrophobicContact CE2-CD1 4.37Å; F902-F931 AromaticContact CE2-CE1 3.47Å; F902-F931 HydrophobicContact CE2-CE1 3.47Å; F902-F931 VanDerWaalsContact CE2-CE1 3.47Å; F902-F931 AromaticContact CE2-CZ 3.58Å; F902-F931 HydrophobicContact CE2-CZ 3.58Å; F902-F931 AromaticContact CG-CD1 3.7Å; F902-F931 HydrophobicContact CG-CD1 3.7Å; F902-F931 AromaticContact CG-CE1 3.43Å; F902-F931 HydrophobicContact CG-CE1 3.43Å; F902-F931 VanDerWaalsContact CG-CE1 3.43Å; F902-F931 HydrophobicContact CG-CZ 4.35Å; F902-F931 HydrophobicContact CZ-CE1 4.09Å; F902-F931 HydrophobicContact CZ-CZ 4.33Å; I905-F931 HydrophobicContact CD1-CD1 3.52Å; I905-F931 HydrophobicContact CD1-CE1 3.24Å; I905-F931 HydrophobicContact CD1-CZ 4.2Å; I905-F931 HydrophobicContact CG1-CD1 4.07Å; I905-F931 HydrophobicContact CG1-CE1 3.98Å; P928-F931 HydrophobicContact CB-CE2 3.52Å; P928-F931 HydrophobicContact CB-CZ 3.44Å; P928-F931 VanDerWaalsContact CB-CZ 3.44Å; P928-F931 HydrophobicContact CG-CE2 3.51Å; P928-F931 HydrophobicContact CG-CZ 3.7Å; G929-F931 WeakPolarHBondContact O-CD2 3.28Å; F931-P957 HydrophobicContact CE2-CB 4.43Å; F931-N959 PolarHBondContact N-O 2.66Å; F931-F960 HydrophobicContact CB-CB 4.48Å; F931-F960 HydrophobicContact CB-CD1 3.54Å; F931-F960 HydrophobicContact CB-CE1 4.22Å; F931-F960 HydrophobicContact CB-CG 4.26Å; F931-F960 HydrophobicContact CD1-CE1 4.48Å; F931-F960 AromaticContact CD2-CD1 3.48Å; F931-F960 HydrophobicContact CD2-CD1 3.48Å; F931-F960 VanDerWaalsContact CD2-CD1 3.48Å; F931-F960 AromaticContact CD2-CE1 3.36Å; F931-F960 HydrophobicContact CD2-CE1 3.36Å; F931-F960 HydrophobicContact CD2-CG 4.26Å; F931-F960 HydrophobicContact CD2-CZ 4.11Å; F931-F960 HydrophobicContact CE2-CD1 4.29Å; F931-F960 AromaticContact CE2-CE1 3.7Å; F931-F960 HydrophobicContact CE2-CE1 3.7Å; F931-F960 HydrophobicContact CE2-CZ 4.19Å; F931-F960 AromaticContact CG-CD1 3.64Å; F931-F960 HydrophobicContact CG-CD1 3.64Å; F931-F960 AromaticContact CG-CE1 3.8Å; F931-F960 HydrophobicContact CG-CE1 3.8Å; F931-F960 HydrophobicContact CZ-CE1 4.41Å; F931-T961 PolarHBondContact O-N 3.45Å; F931-T961 PolarHBondContact O-OG1 3.01Å |
| 932 | I | 56.5 | Low | 65.1 | Low | 90 Ų | 90 | 27.5 Ų | 27.5 | 46% | 0.462 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.7 | 167.2 | -57.1 | 170.5 | 0 | 0 | 0 | 105.6 | F902 T903 | F902-I932 PolarHBondContact O-N 3.41Å; T903-I932 WeakPolarHBondContact CA-O 3.37Å; T903-I932 HydrophobicContact CG2-CB 4.46Å |
| 933 | D | 59.6 | Low | 64.2 | Low | 42 Ų | 42 | 27.9 Ų | 27.9 | 23% | 0.225 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 59 | 90.5 | 178.2 | -50.9 | -41.6 | 0 | 0 | 0 | 112.2 | N904 T961 N962 | N904-D933 WeakPolarHBondContact CA-O 3.45Å; N904-D933 PolarHBondContact N-O 2.87Å; D933-T961 PolarHBondContact N-O 3.46Å; D933-T961 VanDerWaalsContact N-O 3.13Å; D933-N962 CarbonylContact C-O 3.51Å; D933-N962 VanDerWaalsContact CA-O 3.23Å; D933-N962 WeakPolarHBondContact CA-O 3.41Å; D933-N962 PolarHBondContact N-O 3.12Å; D933-N962 WeakPolarHBondContact OD1-CB 3.4Å; D933-N962 PolarHBondContact OD1-ND2 2.97Å |
| 934 | T | 65.5 | Low | 62.9 | Low | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | trans | -93.4 | -48.5 | -165.2 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | I905 F954 F960 N962 I963 F983 | I905-T934 WeakPolarHBondContact CB-O 3.18Å; I905-T934 HydrophobicContact CD1-CG2 3.41Å; I905-T934 VanDerWaalsContact CD1-CG2 3.41Å; I905-T934 HydrophobicContact CG1-CG2 4.26Å; I905-T934 WeakPolarHBondContact CG1-O 3.48Å; I905-T934 PolarHBondContact N-O 2.72Å; T934-F954 HydrophobicContact CG2-CE1 3.99Å; T934-F954 HydrophobicContact CG2-CE2 4.45Å; T934-F954 HydrophobicContact CG2-CZ 3.72Å; T934-F960 HydrophobicContact CG2-CD1 4.4Å; T934-F960 HydrophobicContact CG2-CE1 4.25Å; T934-N962 PolarHBondContact N-O 2.82Å; T934-I963 VanDerWaalsContact CB-O 3.28Å; T934-I963 WeakPolarHBondContact CB-O 3.48Å; T934-I963 HydrophobicContact CG2-CG2 3.97Å; T934-F983 HydrophobicContact CG2-CE1 4.42Å | ||
| 935 | I | 69.4 | Low | 61.5 | Low | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -139.1 | 136.3 | -178.6 | -46 | 177.7 | 0 | 0 | 0 | 110.1 | I906 L938 F954 I963 I964 H965 V981 F983 | I906-I935 HydrophobicContact CB-CG2 4.08Å; I906-I935 HydrophobicContact CG2-CG2 3.89Å; I935-L938 HydrophobicContact CD1-CD1 4.19Å; I935-L938 HydrophobicContact CG2-CD1 3.59Å; I935-L938 HydrophobicContact CG2-CG 3.69Å; I935-F954 HydrophobicContact CD1-CE2 4.26Å; I935-I963 PolarHBondContact N-O 2.77Å; I935-I964 HydrophobicContact CB-CG2 4.48Å; I935-H965 PolarHBondContact O-N 2.76Å; I935-V981 HydrophobicContact CD1-CG1 4.08Å; I935-F983 HydrophobicContact CD1-CZ 4.45Å |
| 936 | H | 68.2 | Low | 60.1 | Low | 30 Ų | 30 | 40.9 Ų | 40.9 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | trans | -123.8 | 158.9 | 164.5 | -75.2 | -92.8 | 0 | 0 | 0 | 109.6 | I906 H965 D966 | I906-H936 PolarHBondContact O-N 3.24Å; H936-H965 WeakPolarHBondContact CE1-CB 3Å; H936-H965 AromaticContact CE1-CD2 3.85Å; H936-H965 AromaticContact CE1-CG 3.65Å; H936-H965 WeakPolarHBondContact ND1-CB 3.49Å; H936-D966 IonicContact CE1-OD2 3.71Å; H936-D966 IonicContact ND1-OD2 2.67Å; H936-D966 PolarHBondContact ND1-OD2 3.25Å | ||
| 937 | D | 61.8 | Low | 59 | Low | 53 Ų | 53 | 38.6 Ų | 38.6 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | trans | 51.9 | 72.4 | 163.5 | -54.1 | -52.8 | 0 | 0 | 0 | 113.4 | H907 L909 D966 | H907-D937 IonicContact CE1-OD2 3.69Å; H907-D937 PolarHBondContact CE1-OD2 3.07Å; H907-D937 VanDerWaalsContact CE1-OD2 3.29Å; H907-D937 IonicContact ND1-OD2 3.88Å; H907-D937 IonicContact NE2-OD2 2.72Å; L909-D937 PolarHBondContact N-O 2.66Å; D937-D966 PolarHBondContact N-O 2.99Å | ||
| 938 | L | 61.5 | Low | 58.6 | Low | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -107.9 | 99 | -170.1 | -120.8 | -178.3 | 0 | 0 | 0 | 112.8 | L909 I935 L967 V981 | L909-L938 HydrophobicContact CB-CD2 4.45Å; L909-L938 HydrophobicContact CD1-CD2 4.4Å; I935-L938 HydrophobicContact CD1-CD1 4.19Å; I935-L938 HydrophobicContact CG2-CD1 3.59Å; I935-L938 HydrophobicContact CG2-CG 3.69Å; L938-L967 HydrophobicContact CB-CD2 4.23Å; L938-V981 HydrophobicContact CD1-CG2 3.91Å |
| 939 | D | 57.3 | Low | 58.5 | Low | 65 Ų | 65 | 40.5 Ų | 40.5 | 35% | 0.348 | 21% | 0.207 | S | C | . | . | trans | -74.1 | 151.8 | -169.6 | -126.8 | -41.5 | 0 | 0 | 0 | 114.1 | L909 P911 V941 | L909-D939 VanDerWaalsContact O-CB 3.28Å; L909-D939 WeakPolarHBondContact O-CB 3.42Å; L909-D939 PolarHBondContact O-N 3.14Å; P911-D939 HydrophobicContact CG-CB 3.98Å; D939-V941 PolarHBondContact O-N 3.34Å | ||
| 940 | P | 53 | Low | 58.7 | Low | 17 Ų | 17 | 40.4 Ų | 40.4 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | trans | -64.2 | 97.4 | -175.8 | -33.2 | 43.6 | 0 | 0 | 0 | 118 | P911 H942 P969 I970 H971 | P911-P940 WeakPolarHBondContact CB-O 3.3Å; P940-H942 PolarHBondContact O-N 3.34Å; P940-H942 VanDerWaalsContact O-N 3.15Å; P940-P969 WeakPolarHBondContact CG-O 3.49Å; P940-I970 HydrophobicContact CB-CG2 4.32Å; P940-H971 HydrophobicContact CB-CB 4.46Å | ||
| 941 | V | 54.6 | Low | 59 | Low | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | trans | -59.5 | 115.3 | -179.7 | -161.2 | 0 | 0 | 0 | 0 | 114.5 | I912 D939 H943 T951 T980 | I912-V941 HydrophobicContact CB-CG1 4.02Å; I912-V941 HydrophobicContact CG1-CG1 4.44Å; I912-V941 WeakPolarHBondContact O-CG1 3.36Å; D939-V941 PolarHBondContact O-N 3.34Å; V941-H943 VanDerWaalsContact CG1-NE2 3.28Å; V941-H943 WeakPolarHBondContact CG1-NE2 3.33Å; V941-H943 PolarHBondContact O-N 3.12Å; V941-T951 HydrophobicContact CG2-CG2 4.37Å; V941-T980 HydrophobicContact CG2-CG2 3.9Å | ||
| 942 | H | 51.7 | Low | 59.5 | Low | 60 Ų | 60 | 37.3 Ų | 37.3 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | trans | -97.1 | 81.9 | -175.9 | -83.4 | -15.4 | 0 | 0 | 0 | 113.9 | H913 P940 H971 | H913-H942 WeakPolarHBondContact CE1-CB 3.47Å; H913-H942 AromaticContact CE1-CD2 3.81Å; H913-H942 AromaticContact CE1-CG 3.99Å; H913-H942 WeakPolarHBondContact ND1-CB 3.35Å; H913-H942 PolarHBondContact ND1-O 2.83Å; P940-H942 PolarHBondContact O-N 3.34Å; P940-H942 VanDerWaalsContact O-N 3.15Å; H942-H971 PolarHBondContact CE1-O 2.88Å; H942-H971 PolarHBondContact ND1-O 3.09Å | ||
| 943 | H | 50.9 | Low | 60.6 | Low | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.069 | 17% | 0.168 | C | C | . | . | trans | -80.7 | 138.3 | 172.1 | -53.2 | -103.5 | 0 | 0 | 0 | 112.5 | H914 V941 Y947 H976 | H914-H943 AromaticContact CD2-CE1 3.98Å; H914-H943 AromaticContact CD2-ND1 3.9Å; V941-H943 VanDerWaalsContact CG1-NE2 3.28Å; V941-H943 WeakPolarHBondContact CG1-NE2 3.33Å; V941-H943 PolarHBondContact O-N 3.12Å; H943-Y947 AromaticContact CE1-CD1 3.91Å; H943-Y947 AromaticContact CE1-CE1 3.98Å; H943-Y947 AromaticContact CE1-CG 3.99Å; H943-Y947 AromaticContact ND1-CD2 3.6Å; H943-Y947 AromaticContact ND1-CE2 3.89Å; H943-Y947 AromaticContact ND1-CG 3.74Å; H943-H976 AromaticContact CD2-CD2 3.72Å; H943-H976 AromaticContact CD2-NE2 3.13Å; H943-H976 PolarHBondContact CD2-NE2 2.69Å; H943-H976 AromaticContact CE1-NE2 3.56Å; H943-H976 AromaticContact CG-NE2 3.57Å; H943-H976 AromaticContact ND1-NE2 3.81Å; H943-H976 AromaticContact NE2-CE1 4Å; H943-H976 AromaticContact NE2-NE2 3.1Å; H943-H976 PolarHBondContact NE2-NE2 2.97Å | ||
| 944 | Q | 48.7 | Very low | 61.5 | Low | 113 Ų | 113 | 31 Ų | 31 | 53% | 0.528 | 16% | 0.157 | S | C | . | . | trans | -100.5 | -21.6 | 175.5 | -70.4 | -170.7 | -6.4 | 0 | 0 | 114.9 | N974 | Q944-N974 PolarHBondContact O-ND2 3.06Š| ||
| 945 | N | 50.6 | Low | 62.1 | Low | 83 Ų | 83 | 33.6 Ų | 33.6 | 44% | 0.444 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -135 | 166.8 | -174.1 | -80.7 | -45.5 | 0 | 0 | 0 | 112.8 | Q915 Y947 | Q915-N945 PolarHBondContact O-ND2 2.9Å; N945-Y947 PolarHBondContact O-N 2.94Å |
| 946 | N | 49.7 | Very low | 62 | Low | 80 Ų | 80 | 36.5 Ų | 36.5 | 43% | 0.428 | 19% | 0.189 | S | C | . | . | trans | -51.2 | 119.9 | -176.3 | -69.2 | 6.2 | 0 | 0 | 0 | 113 | N917 | N917-N946 PolarHBondContact OD1-O 2.82Š| ||
| 947 | Y | 53.4 | Low | 61.8 | Low | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | trans | -118.4 | 150.1 | -179.8 | -143.9 | -99.7 | 0 | 0 | 0 | 109.7 | H914 H918 H943 N945 D949 H976 | H914-Y947 HydrophobicContact CB-CD2 4.42Å; H914-Y947 HydrophobicContact CB-CE2 3.88Å; H914-Y947 AromaticContact CD2-CE2 3.86Å; H914-Y947 AromaticContact CE1-CZ 4Å; H914-Y947 PolarHBondContact CE1-OH 2.87Å; H914-Y947 AromaticContact CG-CE2 3.59Å; H914-Y947 AromaticContact ND1-CE2 3.79Å; H914-Y947 AromaticContact NE2-CZ 3.94Å; H914-Y947 PolarHBondContact NE2-OH 3.45Å; H918-Y947 HydrophobicContact CB-CD2 4.38Å; H918-Y947 HydrophobicContact CB-CE1 4.3Å; H918-Y947 HydrophobicContact CB-CE2 3.62Å; H918-Y947 WeakPolarHBondContact CB-OH 3.46Å; H918-Y947 AromaticContact CG-CE2 3.95Å; H918-Y947 AromaticContact CG-CZ 3.95Å; H943-Y947 AromaticContact CE1-CD1 3.91Å; H943-Y947 AromaticContact CE1-CE1 3.98Å; H943-Y947 AromaticContact CE1-CG 3.99Å; H943-Y947 AromaticContact ND1-CD2 3.6Å; H943-Y947 AromaticContact ND1-CE2 3.89Å; H943-Y947 AromaticContact ND1-CG 3.74Å; N945-Y947 PolarHBondContact O-N 2.94Å; Y947-D949 WeakPolarHBondContact CD1-O 3.28Å; Y947-D949 VanDerWaalsContact CE1-O 3.26Å; Y947-D949 WeakPolarHBondContact CE1-O 3.35Å; Y947-H976 AromaticContact CD1-CE1 3.92Å | ||
| 948 | H | 57.7 | Low | 61.9 | Low | 78 Ų | 78 | 36.1 Ų | 36.1 | 36% | 0.361 | 19% | 0.188 | S | C | . | . | trans | -136.6 | 13.8 | -167.5 | -79 | -51.9 | 0 | 0 | 0 | 115 | H977 | H948-H977 AromaticContact CE1-CD2 3.76Š| ||
| 949 | D | 64 | Low | 62.1 | Low | 34 Ų | 34 | 38.8 Ų | 38.8 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -151.6 | 160.8 | 174.5 | -104.7 | -71.7 | 0 | 0 | 0 | 109.6 | Y947 | Y947-D949 WeakPolarHBondContact CD1-O 3.28Å; Y947-D949 VanDerWaalsContact CE1-O 3.26Å; Y947-D949 WeakPolarHBondContact CE1-O 3.35Å |
| 950 | P | 70.1 | Confident | 62.5 | Low | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -75.3 | 153.2 | -174 | 32.8 | -37 | 0 | 0 | 0 | 112.5 | P921 P979 | P921-P950 WeakPolarHBondContact CA-O 3.1Å; P921-P950 HydrophobicContact CB-CG 4.18Å; P921-P950 WeakPolarHBondContact CB-O 3.27Å; P950-P979 WeakPolarHBondContact CA-O 3.38Å; P950-P979 HydrophobicContact CB-CG 4.33Å; P950-P979 WeakPolarHBondContact CB-O 3.21Å | ||
| 951 | T | 69.6 | Low | 62.9 | Low | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -63.5 | -44.5 | 175 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | I912 T922 V923 V941 T980 | I912-T951 HydrophobicContact CD1-CG2 3.78Å; T922-T951 WeakPolarHBondContact CA-O 3.34Å; T922-T951 VanDerWaalsContact CB-O 3.3Å; T922-T951 WeakPolarHBondContact CB-O 3.29Å; T922-T951 PolarHBondContact N-O 3.49Å; V923-T951 PolarHBondContact N-O 3.45Å; V923-T951 VanDerWaalsContact N-O 3.09Å; V941-T951 HydrophobicContact CG2-CG2 4.37Å; T951-T980 WeakPolarHBondContact CA-O 2.96Å; T951-T980 VanDerWaalsContact CB-O 3.32Å; T951-T980 WeakPolarHBondContact CB-O 3.3Å; T951-T980 PolarHBondContact N-O 2.86Å |
| 952 | V | 75 | Confident | 63.2 | Low | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.7 | 176.2 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | I906 L909 V923 F925 F954 T980 V981 S982 | I906-V952 HydrophobicContact CD1-CG1 4.1Å; I906-V952 HydrophobicContact CD1-CG2 4.3Å; L909-V952 HydrophobicContact CD1-CG2 4.42Å; V923-V952 HydrophobicContact CB-CG1 4.42Å; F925-V952 HydrophobicContact CE2-CG1 4.34Å; V952-F954 HydrophobicContact CG1-CD2 4.25Å; V952-F954 HydrophobicContact CG1-CE2 3.52Å; V952-F954 HydrophobicContact CG1-CZ 4.03Å; V952-T980 PolarHBondContact N-O 3.23Å; V952-T980 VanDerWaalsContact N-O 3.1Å; V952-V981 HydrophobicContact CB-CG1 4.35Å; V952-V981 HydrophobicContact CB-CG2 4.5Å; V952-S982 PolarHBondContact O-N 2.97Å |
| 953 | S | 80 | Confident | 64 | Low | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 120.1 | -176.2 | -161.6 | 0 | 0 | 0 | 0 | 114.8 | V923 S924 F925 K955 S982 | V923-S953 PolarHBondContact O-N 3.43Å; S924-S953 WeakPolarHBondContact CA-O 3.41Å; F925-S953 PolarHBondContact N-O 3.32Å; S953-K955 VanDerWaalsContact OG-CE 3.29Å; S953-K955 WeakPolarHBondContact OG-CE 3.25Å; S953-S982 WeakPolarHBondContact CA-O 3.42Å |
| 954 | F | 79.5 | Confident | 64.9 | Low | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.2 | 171.3 | -59.6 | -95.1 | 0 | 0 | 0 | 109.7 | I905 F925 T934 I935 V952 F960 V981 S982 F983 K984 | I905-F954 HydrophobicContact CD1-CE1 3.56Å; I905-F954 HydrophobicContact CD1-CZ 3.92Å; F925-F954 HydrophobicContact CB-CD1 3.7Å; F925-F954 HydrophobicContact CB-CE1 4.13Å; F925-F954 HydrophobicContact CB-CG 4.43Å; F925-F954 HydrophobicContact CD1-CE1 4.42Å; F925-F954 AromaticContact CD2-CD1 3.63Å; F925-F954 HydrophobicContact CD2-CD1 3.63Å; F925-F954 AromaticContact CD2-CE1 3.29Å; F925-F954 HydrophobicContact CD2-CE1 3.29Å; F925-F954 HydrophobicContact CD2-CE2 4.37Å; F925-F954 HydrophobicContact CD2-CG 4.3Å; F925-F954 AromaticContact CD2-CZ 3.71Å; F925-F954 HydrophobicContact CD2-CZ 3.71Å; F925-F954 AromaticContact CE2-CE1 3.79Å; F925-F954 HydrophobicContact CE2-CE1 3.79Å; F925-F954 AromaticContact CE2-CZ 3.87Å; F925-F954 HydrophobicContact CE2-CZ 3.87Å; F925-F954 AromaticContact CG-CD1 3.79Å; F925-F954 HydrophobicContact CG-CD1 3.79Å; F925-F954 AromaticContact CG-CE1 3.68Å; F925-F954 HydrophobicContact CG-CE1 3.68Å; T934-F954 HydrophobicContact CG2-CE1 3.99Å; T934-F954 HydrophobicContact CG2-CE2 4.45Å; T934-F954 HydrophobicContact CG2-CZ 3.72Å; I935-F954 HydrophobicContact CD1-CE2 4.26Å; V952-F954 HydrophobicContact CG1-CD2 4.25Å; V952-F954 HydrophobicContact CG1-CE2 3.52Å; V952-F954 HydrophobicContact CG1-CZ 4.03Å; F954-F960 HydrophobicContact CB-CZ 4.29Å; F954-F960 HydrophobicContact CD1-CE1 4.19Å; F954-F960 HydrophobicContact CD1-CZ 4.21Å; F954-F960 HydrophobicContact CG-CZ 4.37Å; F954-V981 HydrophobicContact CE2-CG1 4.42Å; F954-S982 PolarHBondContact N-O 3.24Å; F954-F983 HydrophobicContact CB-CD1 3.67Å; F954-F983 HydrophobicContact CB-CE1 4.22Å; F954-F983 HydrophobicContact CB-CG 4.42Å; F954-F983 HydrophobicContact CD1-CE1 4.3Å; F954-F983 AromaticContact CD2-CD1 3.41Å; F954-F983 HydrophobicContact CD2-CD1 3.41Å; F954-F983 VanDerWaalsContact CD2-CD1 3.41Å; F954-F983 AromaticContact CD2-CE1 3.12Å; F954-F983 HydrophobicContact CD2-CE1 3.12Å; F954-F983 HydrophobicContact CD2-CG 4.25Å; F954-F983 AromaticContact CD2-CZ 3.78Å; F954-F983 HydrophobicContact CD2-CZ 3.78Å; F954-F983 HydrophobicContact CE2-CD1 4.17Å; F954-F983 AromaticContact CE2-CE1 3.4Å; F954-F983 HydrophobicContact CE2-CE1 3.4Å; F954-F983 AromaticContact CE2-CZ 3.76Å; F954-F983 HydrophobicContact CE2-CZ 3.76Å; F954-F983 AromaticContact CG-CD1 3.62Å; F954-F983 HydrophobicContact CG-CD1 3.62Å; F954-F983 AromaticContact CG-CE1 3.64Å; F954-F983 HydrophobicContact CG-CE1 3.64Å; F954-F983 HydrophobicContact CZ-CE1 4.12Å; F954-K984 PolarHBondContact O-N 2.82Å |
| 955 | K | 77.1 | Confident | 65.8 | Low | 55 Ų | 55 | 30.5 Ų | 30.5 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.9 | -174.5 | -67.7 | 172.8 | 177.8 | 170.5 | 0 | 109.8 | D920 F925 S927 S953 K984 | D920-K955 IonicContact OD1-NZ 3.99Å; F925-K955 PolarHBondContact O-N 2.78Å; S927-K955 PolarHBondContact N-O 3.28Å; S953-K955 VanDerWaalsContact OG-CE 3.29Å; S953-K955 WeakPolarHBondContact OG-CE 3.25Å; K955-K984 CarbonylContact C-O 3.6Å; K955-K984 WeakPolarHBondContact CA-O 3.19Å |
| 956 | S | 66.9 | Low | 66.3 | Low | 63 Ų | 63 | 29.3 Ų | 29.3 | 44% | 0.441 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 58.3 | 51.3 | -178.7 | -53.3 | 0 | 0 | 0 | 0 | 118 | S927 K984 | S927-S956 WeakPolarHBondContact CA-O 3.2Å; S956-K984 PolarHBondContact N-O 2.99Å |
| 957 | P | 64.3 | Low | 66.9 | Low | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | trans | -75 | 162.9 | 175.4 | 29.3 | -32.1 | 0 | 0 | 0 | 114.4 | P928 F931 F960 P986 S987 | P928-P957 HydrophobicContact CG-CB 3.8Å; P928-P957 WeakPolarHBondContact O-CA 3.43Å; F931-P957 HydrophobicContact CE2-CB 4.43Å; P957-F960 HydrophobicContact CB-CD2 4.4Å; P957-F960 HydrophobicContact CB-CE2 3.47Å; P957-F960 VanDerWaalsContact CB-CE2 3.47Å; P957-F960 HydrophobicContact CB-CZ 3.52Å; P957-F960 HydrophobicContact CG-CD2 4.36Å; P957-F960 HydrophobicContact CG-CE2 3.23Å; P957-F960 HydrophobicContact CG-CZ 3.54Å; P957-P986 HydrophobicContact CG-CB 3.86Å; P957-P986 HydrophobicContact CG-CG 4.08Å; P957-P986 CarbonylContact O-C 3.57Å; P957-P986 VanDerWaalsContact O-CA 3.31Å; P957-P986 WeakPolarHBondContact O-CA 3.35Å; P957-S987 PolarHBondContact O-N 2.73Å | ||
| 958 | N | 65.6 | Low | 67 | Low | 72 Ų | 72 | 29 Ų | 29 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | trans | -76.6 | -101 | 168.3 | -72.2 | -8.3 | 0 | 0 | 0 | 110.9 | P928 D930 S987 | P928-N958 PolarHBondContact O-N 3.1Å; P928-N958 VanDerWaalsContact O-N 3.12Å; D930-N958 WeakPolarHBondContact OD1-CB 3.43Å; N958-S987 WeakPolarHBondContact O-CA 3.14Å; N958-S987 WeakPolarHBondContact O-CB 3.32Å; N958-S987 PolarHBondContact O-N 2.85Å | ||
| 959 | N | 64.9 | Low | 66.7 | Low | 64 Ų | 64 | 26.6 Ų | 26.6 | 34% | 0.342 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 148.6 | -178.9 | -50.3 | -81.3 | 0 | 0 | 0 | 110.8 | D930 F931 | D930-N959 WeakPolarHBondContact CA-O 3.38Å; D930-N959 WeakPolarHBondContact OD1-CB 3.41Å; D930-N959 PolarHBondContact OD1-N 2.77Å; D930-N959 PolarHBondContact OD1-ND2 3.13Å; F931-N959 PolarHBondContact N-O 2.66Å |
| 960 | F | 65.4 | Low | 66.2 | Low | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.5 | 165.4 | -53.7 | -104.3 | 0 | 0 | 0 | 111.4 | F931 T934 F954 P957 I963 F983 F989 I990 | F931-F960 HydrophobicContact CB-CB 4.48Å; F931-F960 HydrophobicContact CB-CD1 3.54Å; F931-F960 HydrophobicContact CB-CE1 4.22Å; F931-F960 HydrophobicContact CB-CG 4.26Å; F931-F960 HydrophobicContact CD1-CE1 4.48Å; F931-F960 AromaticContact CD2-CD1 3.48Å; F931-F960 HydrophobicContact CD2-CD1 3.48Å; F931-F960 VanDerWaalsContact CD2-CD1 3.48Å; F931-F960 AromaticContact CD2-CE1 3.36Å; F931-F960 HydrophobicContact CD2-CE1 3.36Å; F931-F960 HydrophobicContact CD2-CG 4.26Å; F931-F960 HydrophobicContact CD2-CZ 4.11Å; F931-F960 HydrophobicContact CE2-CD1 4.29Å; F931-F960 AromaticContact CE2-CE1 3.7Å; F931-F960 HydrophobicContact CE2-CE1 3.7Å; F931-F960 HydrophobicContact CE2-CZ 4.19Å; F931-F960 AromaticContact CG-CD1 3.64Å; F931-F960 HydrophobicContact CG-CD1 3.64Å; F931-F960 AromaticContact CG-CE1 3.8Å; F931-F960 HydrophobicContact CG-CE1 3.8Å; F931-F960 HydrophobicContact CZ-CE1 4.41Å; T934-F960 HydrophobicContact CG2-CD1 4.4Å; T934-F960 HydrophobicContact CG2-CE1 4.25Å; F954-F960 HydrophobicContact CB-CZ 4.29Å; F954-F960 HydrophobicContact CD1-CE1 4.19Å; F954-F960 HydrophobicContact CD1-CZ 4.21Å; F954-F960 HydrophobicContact CG-CZ 4.37Å; P957-F960 HydrophobicContact CB-CD2 4.4Å; P957-F960 HydrophobicContact CB-CE2 3.47Å; P957-F960 VanDerWaalsContact CB-CE2 3.47Å; P957-F960 HydrophobicContact CB-CZ 3.52Å; P957-F960 HydrophobicContact CG-CD2 4.36Å; P957-F960 HydrophobicContact CG-CE2 3.23Å; P957-F960 HydrophobicContact CG-CZ 3.54Å; F960-I963 HydrophobicContact CB-CD1 3.53Å; F960-I963 HydrophobicContact CB-CG1 3.71Å; F960-I963 HydrophobicContact CD1-CD1 4.49Å; F960-I963 HydrophobicContact CD1-CG2 4.21Å; F960-I963 HydrophobicContact CD2-CD1 4.15Å; F960-I963 HydrophobicContact CG-CD1 3.89Å; F960-I963 HydrophobicContact CG-CG1 4.29Å; F960-F983 HydrophobicContact CE1-CD1 4.3Å; F960-F983 HydrophobicContact CE1-CE1 4.22Å; F960-F983 HydrophobicContact CE2-CD1 4.26Å; F960-F983 AromaticContact CZ-CD1 3.81Å; F960-F983 HydrophobicContact CZ-CD1 3.81Å; F960-F983 HydrophobicContact CZ-CE1 4.19Å; F960-F989 HydrophobicContact CB-CD1 4.34Å; F960-F989 AromaticContact CD2-CD1 3.59Å; F960-F989 HydrophobicContact CD2-CD1 3.59Å; F960-F989 AromaticContact CD2-CE1 3.38Å; F960-F989 HydrophobicContact CD2-CE1 3.38Å; F960-F989 HydrophobicContact CE2-CD1 4.21Å; F960-F989 AromaticContact CE2-CE1 3.54Å; F960-F989 HydrophobicContact CE2-CE1 3.54Å; F960-F989 HydrophobicContact CE2-CZ 4.4Å; F960-F989 HydrophobicContact CG-CD1 4.35Å; F960-F989 HydrophobicContact CG-CE1 4.29Å; F960-I990 PolarHBondContact O-N 3.32Å |
| 961 | T | 61.6 | Low | 65.3 | Low | 33 Ų | 33 | 28.8 Ų | 28.8 | 20% | 0.202 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.9 | 157.2 | 47 | 0 | 0 | 0 | 0 | 108.6 | F931 D933 I990 | F931-T961 PolarHBondContact O-N 3.45Å; F931-T961 PolarHBondContact O-OG1 3.01Å; D933-T961 PolarHBondContact N-O 3.46Å; D933-T961 VanDerWaalsContact N-O 3.13Å; T961-I990 WeakPolarHBondContact CA-O 3.47Å; T961-I990 HydrophobicContact CG2-CB 3.97Å; T961-I990 HydrophobicContact CG2-CD1 4.46Å; T961-I990 HydrophobicContact CG2-CG2 4.28Å |
| 962 | N | 60.8 | Low | 64.4 | Low | 35 Ų | 35 | 29 Ų | 29 | 19% | 0.187 | 16% | 0.156 | C | C | . | . | trans | 57.6 | 82.4 | 178.8 | -58.7 | 3.1 | 0 | 0 | 0 | 111.9 | D933 T934 D991 | D933-N962 CarbonylContact C-O 3.51Å; D933-N962 VanDerWaalsContact CA-O 3.23Å; D933-N962 WeakPolarHBondContact CA-O 3.41Å; D933-N962 PolarHBondContact N-O 3.12Å; D933-N962 WeakPolarHBondContact OD1-CB 3.4Å; D933-N962 PolarHBondContact OD1-ND2 2.97Å; T934-N962 PolarHBondContact N-O 2.82Å; N962-D991 WeakPolarHBondContact CA-O 3.41Å; N962-D991 PolarHBondContact N-O 2.83Å | ||
| 963 | I | 67.5 | Low | 63.1 | Low | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -93.8 | -33.2 | -168.3 | -39.2 | -171.5 | 0 | 0 | 0 | 112.2 | T934 I935 F960 F983 F989 T992 F1012 | T934-I963 VanDerWaalsContact CB-O 3.28Å; T934-I963 WeakPolarHBondContact CB-O 3.48Å; T934-I963 HydrophobicContact CG2-CG2 3.97Å; I935-I963 PolarHBondContact N-O 2.77Å; F960-I963 HydrophobicContact CB-CD1 3.53Å; F960-I963 HydrophobicContact CB-CG1 3.71Å; F960-I963 HydrophobicContact CD1-CD1 4.49Å; F960-I963 HydrophobicContact CD1-CG2 4.21Å; F960-I963 HydrophobicContact CD2-CD1 4.15Å; F960-I963 HydrophobicContact CG-CD1 3.89Å; F960-I963 HydrophobicContact CG-CG1 4.29Å; I963-F983 HydrophobicContact CG2-CD1 4.12Å; I963-F983 HydrophobicContact CG2-CE1 3.28Å; I963-F983 HydrophobicContact CG2-CE2 4.07Å; I963-F983 HydrophobicContact CG2-CZ 3.27Å; I963-F989 HydrophobicContact CD1-CD1 3.25Å; I963-F989 HydrophobicContact CD1-CE1 3.39Å; I963-F989 HydrophobicContact CD1-CG 4.3Å; I963-T992 VanDerWaalsContact CB-O 3.24Å; I963-T992 WeakPolarHBondContact CB-O 3.4Å; I963-T992 HydrophobicContact CD1-CG2 3.76Å; I963-T992 HydrophobicContact CG1-CG2 4.21Å; I963-T992 PolarHBondContact N-O 2.87Å; I963-T992 VanDerWaalsContact N-O 3.17Å; I963-F1012 HydrophobicContact CB-CE1 4.5Å; I963-F1012 HydrophobicContact CD1-CE1 4.14Å; I963-F1012 HydrophobicContact CG2-CE1 4.36Å | ||
| 964 | I | 70.3 | Confident | 61.7 | Low | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -141.8 | 132.9 | 171.9 | -42.4 | 175.2 | 0 | 0 | 0 | 108.4 | I935 L967 F983 T992 I993 H994 V1010 F1012 | I935-I964 HydrophobicContact CB-CG2 4.48Å; I964-L967 HydrophobicContact CB-CD1 4.46Å; I964-L967 HydrophobicContact CD1-CD1 3.93Å; I964-L967 HydrophobicContact CG2-CB 4.04Å; I964-L967 HydrophobicContact CG2-CD1 3.71Å; I964-L967 HydrophobicContact CG2-CG 3.71Å; I964-F983 HydrophobicContact CD1-CE2 4.49Å; I964-T992 PolarHBondContact N-O 3.01Å; I964-I993 HydrophobicContact CB-CG2 4.31Å; I964-I993 WeakPolarHBondContact O-CA 3.28Å; I964-H994 PolarHBondContact O-N 3.26Å; I964-V1010 HydrophobicContact CD1-CG1 3.77Å; I964-V1010 HydrophobicContact CD1-CG2 3.94Å; I964-F1012 HydrophobicContact CD1-CZ 4.4Å |
| 965 | H | 68.7 | Low | 60.2 | Low | 28 Ų | 28 | 43 Ų | 43 | 13% | 0.13 | 23% | 0.227 | C | C | . | . | trans | -119.9 | 153 | 165.5 | -87.5 | -82.5 | 0 | 0 | 0 | 107.9 | I935 H936 H994 D995 | I935-H965 PolarHBondContact O-N 2.76Å; H936-H965 WeakPolarHBondContact CE1-CB 3Å; H936-H965 AromaticContact CE1-CD2 3.85Å; H936-H965 AromaticContact CE1-CG 3.65Å; H936-H965 WeakPolarHBondContact ND1-CB 3.49Å; H965-H994 WeakPolarHBondContact CE1-CB 3.37Å; H965-H994 AromaticContact CE1-CD2 3.64Å; H965-H994 AromaticContact CE1-CG 3.51Å; H965-H994 VanDerWaalsContact ND1-CB 3.28Å; H965-H994 WeakPolarHBondContact ND1-CB 3.29Å; H965-H994 AromaticContact NE2-CD2 3.86Å; H965-D995 IonicContact ND1-OD2 2.88Å; H965-D995 PolarHBondContact ND1-OD2 3.25Å | ||
| 966 | D | 61.4 | Low | 59 | Low | 59 Ų | 59 | 40.7 Ų | 40.7 | 32% | 0.316 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 52.9 | 68.5 | 166.5 | -50.6 | -65.3 | 0 | 0 | 0 | 112.5 | H936 D937 D995 | H936-D966 IonicContact CE1-OD2 3.71Å; H936-D966 IonicContact ND1-OD2 2.67Å; H936-D966 PolarHBondContact ND1-OD2 3.25Å; D937-D966 PolarHBondContact N-O 2.99Å; D966-D995 PolarHBondContact N-O 3.22Å |
| 967 | L | 60.5 | Low | 58.4 | Low | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -105.5 | 102.3 | -170.4 | -145.9 | -173.8 | 0 | 0 | 0 | 112.8 | L938 I964 I970 D995 L996 D997 V1010 | L938-L967 HydrophobicContact CB-CD2 4.23Å; I964-L967 HydrophobicContact CB-CD1 4.46Å; I964-L967 HydrophobicContact CD1-CD1 3.93Å; I964-L967 HydrophobicContact CG2-CB 4.04Å; I964-L967 HydrophobicContact CG2-CD1 3.71Å; I964-L967 HydrophobicContact CG2-CG 3.71Å; L967-I970 HydrophobicContact CD2-CD1 4.36Å; L967-D995 PolarHBondContact N-O 2.81Å; L967-L996 HydrophobicContact CB-CD2 4.1Å; L967-L996 HydrophobicContact CD1-CD2 3.93Å; L967-D997 WeakPolarHBondContact O-CB 3.19Å; L967-D997 PolarHBondContact O-N 3Å; L967-V1010 HydrophobicContact CD1-CG2 3.96Å |
| 968 | D | 56.6 | Low | 58.3 | Low | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -65.2 | 154.1 | -169.8 | -115.2 | -66.5 | 0 | 0 | 0 | 115.7 | I970 | D968-I970 WeakPolarHBondContact O-CG1 3.45Å; D968-I970 PolarHBondContact O-N 3.39Å | ||
| 969 | P | 52 | Low | 58.5 | Low | 28 Ų | 28 | 39 Ų | 39 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | trans | -64.6 | 91.3 | -176.6 | -29.3 | 40.8 | 0 | 0 | 0 | 116.8 | P940 H971 D997 | P940-P969 WeakPolarHBondContact CG-O 3.49Å; P969-H971 PolarHBondContact O-N 3.19Å; P969-D997 HydrophobicContact CG-CB 4.07Å | ||
| 970 | I | 53.3 | Low | 58.7 | Low | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -63.5 | 105 | -174.4 | -48.7 | -160.1 | 0 | 0 | 0 | 115.3 | P940 L967 D968 H972 T980 H1001 T1009 | P940-I970 HydrophobicContact CB-CG2 4.32Å; L967-I970 HydrophobicContact CD2-CD1 4.36Å; D968-I970 WeakPolarHBondContact O-CG1 3.45Å; D968-I970 PolarHBondContact O-N 3.39Å; I970-H972 WeakPolarHBondContact CG2-CE1 3.29Å; I970-H972 PolarHBondContact O-N 3.34Å; I970-T980 HydrophobicContact CD1-CG2 4.05Å; I970-H1001 PolarHBondContact O-ND1 2.88Å; I970-T1009 HydrophobicContact CD1-CG2 3.66Å; I970-T1009 HydrophobicContact CG1-CG2 4.21Å | ||
| 971 | H | 50.7 | Low | 59.1 | Low | 78 Ų | 78 | 36 Ų | 36 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | trans | -77.9 | 85 | 172.6 | -82.3 | -30.6 | 0 | 0 | 0 | 113.7 | P940 H942 P969 H1000 | P940-H971 HydrophobicContact CB-CB 4.46Å; H942-H971 PolarHBondContact CE1-O 2.88Å; H942-H971 PolarHBondContact ND1-O 3.09Å; P969-H971 PolarHBondContact O-N 3.19Å; H971-H1000 VanDerWaalsContact CE1-CB 3.48Å; H971-H1000 WeakPolarHBondContact CE1-CB 3.44Å; H971-H1000 PolarHBondContact ND1-O 3.43Å | ||
| 972 | H | 50.5 | Low | 60 | Low | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | trans | -82.4 | 131.7 | 166.7 | -59.3 | -50.6 | 0 | 0 | 0 | 112.3 | I970 H1001 H1005 | I970-H972 WeakPolarHBondContact CG2-CE1 3.29Å; I970-H972 PolarHBondContact O-N 3.34Å; H972-H1001 AromaticContact CD2-CE1 3.72Å; H972-H1001 AromaticContact CD2-ND1 3.93Å; H972-H1005 AromaticContact CD2-CD2 3.97Å; H972-H1005 AromaticContact CD2-NE2 3.21Å; H972-H1005 PolarHBondContact CD2-NE2 2.86Å; H972-H1005 AromaticContact CE1-NE2 3.87Å; H972-H1005 AromaticContact CG-NE2 3.96Å; H972-H1005 AromaticContact NE2-NE2 3.17Å; H972-H1005 PolarHBondContact NE2-NE2 3.01Å; H972-H1005 VanDerWaalsContact NE2-NE2 3.17Å | ||
| 973 | Q | 47.9 | Very low | 60.9 | Low | 117 Ų | 117 | 32.8 Ų | 32.8 | 55% | 0.547 | 17% | 0.167 | S | C | . | . | trans | -102.6 | -22.1 | 177.8 | -70.2 | -168.7 | 4.6 | 0 | 0 | 115 | N1003 | Q973-N1003 PolarHBondContact O-ND2 3.36Š| ||
| 974 | N | 49.8 | Very low | 61.4 | Low | 86 Ų | 86 | 35.3 Ų | 35.3 | 46% | 0.46 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -133.3 | 165.8 | -175.8 | -86.7 | -22.2 | 0 | 0 | 0 | 112.5 | Q944 H976 | Q944-N974 PolarHBondContact O-ND2 3.06Å; N974-H976 PolarHBondContact O-N 2.79Å |
| 975 | N | 48.1 | Very low | 61.3 | Low | 94 Ų | 94 | 38.4 Ų | 38.4 | 50% | 0.503 | 20% | 0.2 | S | C | . | . | trans | -58.2 | 122.5 | -177.6 | -58.2 | -46.3 | 0 | 0 | 0 | 111.8 | N1004 | N975-N1004 PolarHBondContact OD1-O 3.18Š| ||
| 976 | H | 51.7 | Low | 61.3 | Low | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | trans | -111.9 | 160.7 | 173.9 | -135.9 | -51.7 | 0 | 0 | 0 | 110.5 | H943 Y947 N974 H1005 | H943-H976 AromaticContact CD2-CD2 3.72Å; H943-H976 AromaticContact CD2-NE2 3.13Å; H943-H976 PolarHBondContact CD2-NE2 2.69Å; H943-H976 AromaticContact CE1-NE2 3.56Å; H943-H976 AromaticContact CG-NE2 3.57Å; H943-H976 AromaticContact ND1-NE2 3.81Å; H943-H976 AromaticContact NE2-CE1 4Å; H943-H976 AromaticContact NE2-NE2 3.1Å; H943-H976 PolarHBondContact NE2-NE2 2.97Å; Y947-H976 AromaticContact CD1-CE1 3.92Å; N974-H976 PolarHBondContact O-N 2.79Å; H976-H1005 VanDerWaalsContact CB-NE2 3.3Å; H976-H1005 WeakPolarHBondContact CB-NE2 3.35Å; H976-H1005 AromaticContact CD2-NE2 3.94Å; H976-H1005 AromaticContact CG-NE2 3.8Å | ||
| 977 | H | 55.1 | Low | 61.4 | Low | 63 Ų | 63 | 36.6 Ų | 36.6 | 29% | 0.292 | 20% | 0.195 | S | C | . | . | trans | -132.6 | -2.3 | -173.9 | -82.2 | -43.1 | 0 | 0 | 0 | 115.1 | H948 | H948-H977 AromaticContact CE1-CD2 3.76Š| ||
| 978 | D | 62.5 | Low | 61.7 | Low | 37 Ų | 37 | 39 Ų | 39 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -146.2 | 160.3 | 177 | -103.8 | -80.9 | 0 | 0 | 0 | 109.6 | ||
| 979 | P | 69.3 | Low | 62.2 | Low | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -79.8 | 143.1 | -168.8 | 33.2 | -37.3 | 0 | 0 | 0 | 112.7 | P950 V981 P1008 S1011 | P950-P979 WeakPolarHBondContact CA-O 3.38Å; P950-P979 HydrophobicContact CB-CG 4.33Å; P950-P979 WeakPolarHBondContact CB-O 3.21Å; P979-V981 VanDerWaalsContact C-N 3.27Å; P979-V981 PolarHBondContact O-N 3.2Å; P979-P1008 WeakPolarHBondContact CA-O 3.14Å; P979-P1008 HydrophobicContact CB-CG 4.45Å; P979-P1008 WeakPolarHBondContact CB-O 3.16Å; P979-S1011 VanDerWaalsContact CG-CB 3.47Å | ||
| 980 | T | 69.2 | Low | 62.7 | Low | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -53.7 | -43.5 | 176.9 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | V941 T951 V952 I970 T1009 | V941-T980 HydrophobicContact CG2-CG2 3.9Å; T951-T980 WeakPolarHBondContact CA-O 2.96Å; T951-T980 VanDerWaalsContact CB-O 3.32Å; T951-T980 WeakPolarHBondContact CB-O 3.3Å; T951-T980 PolarHBondContact N-O 2.86Å; V952-T980 PolarHBondContact N-O 3.23Å; V952-T980 VanDerWaalsContact N-O 3.1Å; I970-T980 HydrophobicContact CD1-CG2 4.05Å; T980-T1009 WeakPolarHBondContact CB-O 3.3Å; T980-T1009 PolarHBondContact N-O 2.57Å |
| 981 | V | 74.7 | Confident | 62.9 | Low | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.9 | 175 | -172 | 0 | 0 | 0 | 0 | 111 | I935 L938 V952 F954 P979 F983 T1009 V1010 S1011 | I935-V981 HydrophobicContact CD1-CG1 4.08Å; L938-V981 HydrophobicContact CD1-CG2 3.91Å; V952-V981 HydrophobicContact CB-CG1 4.35Å; V952-V981 HydrophobicContact CB-CG2 4.5Å; F954-V981 HydrophobicContact CE2-CG1 4.42Å; P979-V981 VanDerWaalsContact C-N 3.27Å; P979-V981 PolarHBondContact O-N 3.2Å; V981-F983 HydrophobicContact CB-CE2 4.44Å; V981-F983 HydrophobicContact CG1-CD2 4.22Å; V981-F983 HydrophobicContact CG1-CE2 3.4Å; V981-F983 HydrophobicContact CG1-CZ 3.65Å; V981-T1009 PolarHBondContact N-O 2.86Å; V981-T1009 VanDerWaalsContact N-O 3.13Å; V981-V1010 HydrophobicContact CB-CG1 4.3Å; V981-S1011 PolarHBondContact O-N 2.85Å |
| 982 | S | 79.8 | Confident | 63.7 | Low | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.4 | -177.3 | 174.5 | 0 | 0 | 0 | 0 | 113.1 | V952 S953 F954 K984 S1011 | V952-S982 PolarHBondContact O-N 2.97Å; S953-S982 WeakPolarHBondContact CA-O 3.42Å; F954-S982 PolarHBondContact N-O 3.24Å; S982-K984 VanDerWaalsContact OG-CD 3.31Å; S982-K984 WeakPolarHBondContact OG-CD 3.27Å; S982-K984 WeakPolarHBondContact OG-CE 3.12Å; S982-K984 WeakPolarHBondContact OG-CG 3.46Å; S982-K984 PolarHBondContact OG-NZ 2.88Å; S982-S1011 WeakPolarHBondContact CA-O 3.48Å |
| 983 | F | 79.5 | Confident | 64.6 | Low | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.7 | 168.5 | -53.3 | -95 | 0 | 0 | 0 | 110.1 | T934 I935 F954 F960 I963 I964 V981 F989 V1010 S1011 F1012 K1013 | T934-F983 HydrophobicContact CG2-CE1 4.42Å; I935-F983 HydrophobicContact CD1-CZ 4.45Å; F954-F983 HydrophobicContact CB-CD1 3.67Å; F954-F983 HydrophobicContact CB-CE1 4.22Å; F954-F983 HydrophobicContact CB-CG 4.42Å; F954-F983 HydrophobicContact CD1-CE1 4.3Å; F954-F983 AromaticContact CD2-CD1 3.41Å; F954-F983 HydrophobicContact CD2-CD1 3.41Å; F954-F983 VanDerWaalsContact CD2-CD1 3.41Å; F954-F983 AromaticContact CD2-CE1 3.12Å; F954-F983 HydrophobicContact CD2-CE1 3.12Å; F954-F983 HydrophobicContact CD2-CG 4.25Å; F954-F983 AromaticContact CD2-CZ 3.78Å; F954-F983 HydrophobicContact CD2-CZ 3.78Å; F954-F983 HydrophobicContact CE2-CD1 4.17Å; F954-F983 AromaticContact CE2-CE1 3.4Å; F954-F983 HydrophobicContact CE2-CE1 3.4Å; F954-F983 AromaticContact CE2-CZ 3.76Å; F954-F983 HydrophobicContact CE2-CZ 3.76Å; F954-F983 AromaticContact CG-CD1 3.62Å; F954-F983 HydrophobicContact CG-CD1 3.62Å; F954-F983 AromaticContact CG-CE1 3.64Å; F954-F983 HydrophobicContact CG-CE1 3.64Å; F954-F983 HydrophobicContact CZ-CE1 4.12Å; F960-F983 HydrophobicContact CE1-CD1 4.3Å; F960-F983 HydrophobicContact CE1-CE1 4.22Å; F960-F983 HydrophobicContact CE2-CD1 4.26Å; F960-F983 AromaticContact CZ-CD1 3.81Å; F960-F983 HydrophobicContact CZ-CD1 3.81Å; F960-F983 HydrophobicContact CZ-CE1 4.19Å; I963-F983 HydrophobicContact CG2-CD1 4.12Å; I963-F983 HydrophobicContact CG2-CE1 3.28Å; I963-F983 HydrophobicContact CG2-CE2 4.07Å; I963-F983 HydrophobicContact CG2-CZ 3.27Å; I964-F983 HydrophobicContact CD1-CE2 4.49Å; V981-F983 HydrophobicContact CB-CE2 4.44Å; V981-F983 HydrophobicContact CG1-CD2 4.22Å; V981-F983 HydrophobicContact CG1-CE2 3.4Å; V981-F983 HydrophobicContact CG1-CZ 3.65Å; F983-F989 HydrophobicContact CB-CE1 4.39Å; F983-F989 HydrophobicContact CB-CZ 3.73Å; F983-F989 HydrophobicContact CG-CZ 4.31Å; F983-V1010 HydrophobicContact CE2-CG1 4.18Å; F983-S1011 PolarHBondContact N-O 3.11Å; F983-F1012 HydrophobicContact CB-CD1 3.96Å; F983-F1012 AromaticContact CD2-CD1 3.36Å; F983-F1012 HydrophobicContact CD2-CD1 3.36Å; F983-F1012 AromaticContact CD2-CE1 3.26Å; F983-F1012 HydrophobicContact CD2-CE1 3.26Å; F983-F1012 HydrophobicContact CD2-CG 4.15Å; F983-F1012 AromaticContact CD2-CZ 3.99Å; F983-F1012 HydrophobicContact CD2-CZ 3.99Å; F983-F1012 HydrophobicContact CE2-CD1 4.06Å; F983-F1012 AromaticContact CE2-CE1 3.44Å; F983-F1012 HydrophobicContact CE2-CE1 3.44Å; F983-F1012 VanDerWaalsContact CE2-CE1 3.44Å; F983-F1012 AromaticContact CE2-CZ 3.88Å; F983-F1012 HydrophobicContact CE2-CZ 3.88Å; F983-F1012 AromaticContact CG-CD1 3.79Å; F983-F1012 HydrophobicContact CG-CD1 3.79Å; F983-F1012 AromaticContact CG-CE1 3.95Å; F983-F1012 HydrophobicContact CG-CE1 3.95Å; F983-F1012 HydrophobicContact CZ-CE1 4.25Å; F983-K1013 PolarHBondContact O-N 3.46Å |
| 984 | K | 78.6 | Confident | 65.6 | Low | 54 Ų | 54 | 29.5 Ų | 29.5 | 24% | 0.235 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.9 | -174.5 | -74.7 | 163.1 | 175.6 | 160 | 0 | 110.1 | F954 K955 S956 S982 P986 K1013 | F954-K984 PolarHBondContact O-N 2.82Å; K955-K984 CarbonylContact C-O 3.6Å; K955-K984 WeakPolarHBondContact CA-O 3.19Å; S956-K984 PolarHBondContact N-O 2.99Å; S982-K984 VanDerWaalsContact OG-CD 3.31Å; S982-K984 WeakPolarHBondContact OG-CD 3.27Å; S982-K984 WeakPolarHBondContact OG-CE 3.12Å; S982-K984 WeakPolarHBondContact OG-CG 3.46Å; S982-K984 PolarHBondContact OG-NZ 2.88Å; K984-P986 VanDerWaalsContact C-CD 3.46Å; K984-K1013 WeakPolarHBondContact CA-O 3.34Å; K984-K1013 HydrophobicContact CG-CB 4.38Å |
| 985 | S | 68.3 | Low | 66.3 | Low | 66 Ų | 66 | 28.6 Ų | 28.6 | 46% | 0.462 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 69.3 | 38.4 | 174.3 | -48.5 | 0 | 0 | 0 | 0 | 121.2 | K1013 | S985-K1013 PolarHBondContact N-O 3.4Š|
| 986 | P | 67 | Low | 66.9 | Low | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.013 | 13% | 0.134 | C | C | . | . | trans | -61.4 | 168.4 | 171.4 | -4.9 | 3.7 | 0 | 0 | 0 | 117 | P957 K984 F989 P1015 | P957-P986 HydrophobicContact CG-CB 3.86Å; P957-P986 HydrophobicContact CG-CG 4.08Å; P957-P986 CarbonylContact O-C 3.57Å; P957-P986 VanDerWaalsContact O-CA 3.31Å; P957-P986 WeakPolarHBondContact O-CA 3.35Å; K984-P986 VanDerWaalsContact C-CD 3.46Å; P986-F989 HydrophobicContact CB-CD2 4.46Å; P986-F989 HydrophobicContact CB-CE1 4.29Å; P986-F989 HydrophobicContact CB-CE2 4.25Å; P986-F989 HydrophobicContact CB-CZ 4.18Å; P986-F989 HydrophobicContact CG-CD1 4.29Å; P986-F989 HydrophobicContact CG-CD2 3.87Å; P986-F989 HydrophobicContact CG-CE1 3.7Å; P986-F989 HydrophobicContact CG-CE2 3.24Å; P986-F989 HydrophobicContact CG-CG 4.41Å; P986-F989 HydrophobicContact CG-CZ 3.15Å; P986-P1015 WeakPolarHBondContact O-CD 3.47Å; P986-P1015 WeakPolarHBondContact O-CG 3.4Å | ||
| 987 | S | 64.2 | Low | 67.1 | Low | 47 Ų | 47 | 28 Ų | 28 | 33% | 0.329 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -81.8 | -45.8 | 166.5 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | P957 N958 N1016 | P957-S987 PolarHBondContact O-N 2.73Å; N958-S987 WeakPolarHBondContact O-CA 3.14Å; N958-S987 WeakPolarHBondContact O-CB 3.32Å; N958-S987 PolarHBondContact O-N 2.85Å; S987-N1016 WeakPolarHBondContact O-CB 3.44Å; S987-N1016 VanDerWaalsContact O-CG 3.32Å; S987-N1016 PolarHBondContact O-ND2 3.42Å |
| 988 | D | 66.6 | Low | 67 | Low | 57 Ų | 57 | 26.4 Ų | 26.4 | 31% | 0.305 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 162.6 | 170.2 | -85 | -51.3 | 0 | 0 | 0 | 109.7 | N1017 | D988-N1017 PolarHBondContact OD1-N 3.19Å; D988-N1017 VanDerWaalsContact OD1-N 3.12Å |
| 989 | F | 67.6 | Low | 66.6 | Low | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 135.5 | 178.8 | -74.2 | -61.7 | 0 | 0 | 0 | 112.3 | F960 I963 F983 P986 F1012 N1017 F1018 T1019 | F960-F989 HydrophobicContact CB-CD1 4.34Å; F960-F989 AromaticContact CD2-CD1 3.59Å; F960-F989 HydrophobicContact CD2-CD1 3.59Å; F960-F989 AromaticContact CD2-CE1 3.38Å; F960-F989 HydrophobicContact CD2-CE1 3.38Å; F960-F989 HydrophobicContact CE2-CD1 4.21Å; F960-F989 AromaticContact CE2-CE1 3.54Å; F960-F989 HydrophobicContact CE2-CE1 3.54Å; F960-F989 HydrophobicContact CE2-CZ 4.4Å; F960-F989 HydrophobicContact CG-CD1 4.35Å; F960-F989 HydrophobicContact CG-CE1 4.29Å; I963-F989 HydrophobicContact CD1-CD1 3.25Å; I963-F989 HydrophobicContact CD1-CE1 3.39Å; I963-F989 HydrophobicContact CD1-CG 4.3Å; F983-F989 HydrophobicContact CB-CE1 4.39Å; F983-F989 HydrophobicContact CB-CZ 3.73Å; F983-F989 HydrophobicContact CG-CZ 4.31Å; P986-F989 HydrophobicContact CB-CD2 4.46Å; P986-F989 HydrophobicContact CB-CE1 4.29Å; P986-F989 HydrophobicContact CB-CE2 4.25Å; P986-F989 HydrophobicContact CB-CZ 4.18Å; P986-F989 HydrophobicContact CG-CD1 4.29Å; P986-F989 HydrophobicContact CG-CD2 3.87Å; P986-F989 HydrophobicContact CG-CE1 3.7Å; P986-F989 HydrophobicContact CG-CE2 3.24Å; P986-F989 HydrophobicContact CG-CG 4.41Å; P986-F989 HydrophobicContact CG-CZ 3.15Å; F989-F1012 HydrophobicContact CE1-CD1 4.09Å; F989-F1012 HydrophobicContact CE2-CB 4.01Å; F989-F1012 HydrophobicContact CE2-CD1 4.07Å; F989-F1012 HydrophobicContact CZ-CB 4.27Å; F989-F1012 AromaticContact CZ-CD1 3.61Å; F989-F1012 HydrophobicContact CZ-CD1 3.61Å; F989-F1012 HydrophobicContact CZ-CG 4.43Å; F989-N1017 PolarHBondContact N-O 2.81Å; F989-F1018 HydrophobicContact CB-CD1 3.77Å; F989-F1018 HydrophobicContact CB-CE1 4.26Å; F989-F1018 HydrophobicContact CB-CG 4.32Å; F989-F1018 AromaticContact CD2-CD1 3.4Å; F989-F1018 HydrophobicContact CD2-CD1 3.4Å; F989-F1018 HydrophobicContact CD2-CD2 4.41Å; F989-F1018 AromaticContact CD2-CE1 3.02Å; F989-F1018 HydrophobicContact CD2-CE1 3.02Å; F989-F1018 HydrophobicContact CD2-CE2 4.14Å; F989-F1018 HydrophobicContact CD2-CG 4.1Å; F989-F1018 AromaticContact CD2-CZ 3.46Å; F989-F1018 HydrophobicContact CD2-CZ 3.46Å; F989-F1018 VanDerWaalsContact CD2-CZ 3.46Å; F989-F1018 HydrophobicContact CE2-CD1 4.12Å; F989-F1018 AromaticContact CE2-CE1 3.27Å; F989-F1018 HydrophobicContact CE2-CE1 3.27Å; F989-F1018 HydrophobicContact CE2-CE2 4.42Å; F989-F1018 AromaticContact CE2-CZ 3.47Å; F989-F1018 HydrophobicContact CE2-CZ 3.47Å; F989-F1018 VanDerWaalsContact CE2-CZ 3.47Å; F989-F1018 AromaticContact CG-CD1 3.97Å; F989-F1018 HydrophobicContact CG-CD1 3.97Å; F989-F1018 AromaticContact CG-CE1 3.93Å; F989-F1018 HydrophobicContact CG-CE1 3.93Å; F989-F1018 HydrophobicContact CZ-CE1 4.37Å; F989-T1019 PolarHBondContact O-N 2.93Å; F989-T1019 PolarHBondContact O-OG1 2.85Å |
| 990 | I | 61.7 | Low | 65.8 | Low | 65 Ų | 65 | 28.1 Ų | 28.1 | 33% | 0.333 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.5 | -178.4 | -47.4 | 177.5 | 0 | 0 | 0 | 108.6 | F960 T961 T992 T1019 | F960-I990 PolarHBondContact O-N 3.32Å; T961-I990 WeakPolarHBondContact CA-O 3.47Å; T961-I990 HydrophobicContact CG2-CB 3.97Å; T961-I990 HydrophobicContact CG2-CD1 4.46Å; T961-I990 HydrophobicContact CG2-CG2 4.28Å; I990-T992 PolarHBondContact O-N 2.8Å; I990-T1019 CarbonylContact C-O 3.53Å; I990-T1019 WeakPolarHBondContact CA-O 3.46Å |
| 991 | D | 58.9 | Low | 64.8 | Low | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.102 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 47.9 | 64.2 | 172.5 | -65.9 | -48.9 | 0 | 0 | 0 | 111.2 | N962 T1019 N1020 H1023 | N962-D991 WeakPolarHBondContact CA-O 3.41Å; N962-D991 PolarHBondContact N-O 2.83Å; D991-T1019 PolarHBondContact N-O 3.48Å; D991-T1019 VanDerWaalsContact N-O 3.15Å; D991-N1020 CarbonylContact C-O 3.54Å; D991-N1020 WeakPolarHBondContact CA-O 3.48Å; D991-N1020 PolarHBondContact N-O 3.46Å; D991-N1020 VanDerWaalsContact N-O 3.15Å; D991-N1020 WeakPolarHBondContact OD1-CB 3.33Å; D991-N1020 PolarHBondContact OD1-ND2 3.37Å; D991-H1023 IonicContact OD1-CE1 3.88Å; D991-H1023 IonicContact OD1-NE2 3.37Å; D991-H1023 PolarHBondContact OD1-NE2 3.36Å |
| 992 | T | 66.5 | Low | 63.5 | Low | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -82 | -39.5 | -154.6 | -63.4 | 0 | 0 | 0 | 0 | 114.6 | I963 I964 I990 F1012 N1020 I1021 F1041 | I963-T992 VanDerWaalsContact CB-O 3.24Å; I963-T992 WeakPolarHBondContact CB-O 3.4Å; I963-T992 HydrophobicContact CD1-CG2 3.76Å; I963-T992 HydrophobicContact CG1-CG2 4.21Å; I963-T992 PolarHBondContact N-O 2.87Å; I963-T992 VanDerWaalsContact N-O 3.17Å; I964-T992 PolarHBondContact N-O 3.01Å; I990-T992 PolarHBondContact O-N 2.8Å; T992-F1012 HydrophobicContact CG2-CD1 3.99Å; T992-F1012 HydrophobicContact CG2-CE1 3.45Å; T992-F1012 VanDerWaalsContact CG2-CE1 3.45Å; T992-F1012 HydrophobicContact CG2-CE2 4.16Å; T992-F1012 HydrophobicContact CG2-CZ 3.54Å; T992-N1020 PolarHBondContact N-O 3.39Å; T992-I1021 VanDerWaalsContact CB-O 3.25Å; T992-I1021 WeakPolarHBondContact CB-O 3.24Å; T992-I1021 HydrophobicContact CG2-CG2 4.39Å; T992-F1041 HydrophobicContact CG2-CE1 3.89Å; T992-F1041 HydrophobicContact CG2-CZ 4.39Å | ||
| 993 | I | 70.3 | Confident | 62.1 | Low | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -137.5 | 143.4 | 175 | -47 | 175.9 | 0 | 0 | 0 | 110.1 | I964 L996 F1012 I1021 I1022 H1023 V1039 F1041 | I964-I993 HydrophobicContact CB-CG2 4.31Å; I964-I993 WeakPolarHBondContact O-CA 3.28Å; I993-L996 HydrophobicContact CB-CD1 4.29Å; I993-L996 HydrophobicContact CD1-CD1 4Å; I993-L996 HydrophobicContact CG2-CD1 3.58Å; I993-L996 HydrophobicContact CG2-CG 3.67Å; I993-F1012 HydrophobicContact CD1-CE2 3.94Å; I993-F1012 HydrophobicContact CD1-CZ 4.12Å; I993-F1012 HydrophobicContact CG1-CE2 4.4Å; I993-F1012 HydrophobicContact CG1-CZ 4.13Å; I993-I1021 PolarHBondContact N-O 3.18Å; I993-I1021 VanDerWaalsContact N-O 3.09Å; I993-I1022 HydrophobicContact CB-CG1 4.49Å; I993-I1022 HydrophobicContact CB-CG2 4.28Å; I993-I1022 HydrophobicContact CD1-CG1 4.4Å; I993-I1022 WeakPolarHBondContact O-CA 3.41Å; I993-H1023 PolarHBondContact O-N 3.39Å; I993-V1039 HydrophobicContact CD1-CG1 3.93Å; I993-V1039 HydrophobicContact CD1-CG2 4.16Å; I993-F1041 HydrophobicContact CD1-CZ 4.12Å |
| 994 | H | 69.4 | Low | 60.5 | Low | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | trans | -128.1 | 151.8 | 169.1 | -86.8 | -79.8 | 0 | 0 | 0 | 109.3 | I964 H965 H1023 | I964-H994 PolarHBondContact O-N 3.26Å; H965-H994 WeakPolarHBondContact CE1-CB 3.37Å; H965-H994 AromaticContact CE1-CD2 3.64Å; H965-H994 AromaticContact CE1-CG 3.51Å; H965-H994 VanDerWaalsContact ND1-CB 3.28Å; H965-H994 WeakPolarHBondContact ND1-CB 3.29Å; H965-H994 AromaticContact NE2-CD2 3.86Å; H994-H1023 AromaticContact CE1-CD2 3.36Å; H994-H1023 PolarHBondContact CE1-CD2 2.95Å; H994-H1023 AromaticContact CE1-CG 3.57Å; H994-H1023 AromaticContact ND1-CD2 4Å; H994-H1023 AromaticContact NE2-CD2 3.38Å; H994-H1023 PolarHBondContact NE2-CD2 2.95Å; H994-H1023 AromaticContact NE2-NE2 3.96Å | ||
| 995 | D | 62.6 | Low | 59.2 | Low | 68 Ų | 68 | 41.7 Ų | 41.7 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | trans | 54.9 | 69.6 | 165.8 | -53.1 | -69.1 | 0 | 0 | 0 | 113.2 | H965 D966 L967 D1024 | H965-D995 IonicContact ND1-OD2 2.88Å; H965-D995 PolarHBondContact ND1-OD2 3.25Å; D966-D995 PolarHBondContact N-O 3.22Å; L967-D995 PolarHBondContact N-O 2.81Å; D995-D1024 PolarHBondContact N-O 3.19Å | ||
| 996 | L | 60.8 | Low | 58.5 | Low | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -99.3 | 112.4 | -177.2 | -106.6 | 167.3 | 0 | 0 | 0 | 112.3 | L967 I993 I1022 D1024 L1025 D1026 V1039 | L967-L996 HydrophobicContact CB-CD2 4.1Å; L967-L996 HydrophobicContact CD1-CD2 3.93Å; I993-L996 HydrophobicContact CB-CD1 4.29Å; I993-L996 HydrophobicContact CD1-CD1 4Å; I993-L996 HydrophobicContact CG2-CD1 3.58Å; I993-L996 HydrophobicContact CG2-CG 3.67Å; L996-I1022 HydrophobicContact CD1-CG2 4.09Å; L996-D1024 PolarHBondContact N-O 3.19Å; L996-L1025 HydrophobicContact CB-CD2 3.94Å; L996-L1025 HydrophobicContact CB-CG 4.09Å; L996-L1025 HydrophobicContact CD1-CD2 4.28Å; L996-L1025 HydrophobicContact CD1-CG 4.04Å; L996-D1026 WeakPolarHBondContact O-CB 3.42Å; L996-D1026 PolarHBondContact O-N 2.82Å; L996-V1039 HydrophobicContact CD1-CG2 4.32Å |
| 997 | D | 56.6 | Low | 58.2 | Low | 79 Ų | 79 | 49 Ų | 49 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | trans | -84.3 | 156.4 | -172.5 | -119.8 | 1.8 | 0 | 0 | 0 | 113.9 | L967 P969 V999 | L967-D997 WeakPolarHBondContact O-CB 3.19Å; L967-D997 PolarHBondContact O-N 3Å; P969-D997 HydrophobicContact CG-CB 4.07Å; D997-V999 PolarHBondContact O-N 3.39Å | ||
| 998 | P | 53.2 | Low | 58.4 | Low | 30 Ų | 30 | 47.3 Ų | 47.3 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | trans | -67.4 | 89 | -171.9 | -25.8 | 37.2 | 0 | 0 | 0 | 116.6 | H1000 D1026 | P998-H1000 PolarHBondContact O-N 2.97Å; P998-D1026 HydrophobicContact CG-CB 4.02Å; P998-D1026 WeakPolarHBondContact CG-OD2 3.32Å | ||
| 999 | V | 55 | Low | 58.5 | Low | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | trans | -55.2 | 120.5 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 114.5 | D997 H1001 I1028 I1038 | D997-V999 PolarHBondContact O-N 3.39Å; V999-H1001 WeakPolarHBondContact CG1-CE1 3.24Å; V999-I1028 WeakPolarHBondContact O-CG2 3.39Å; V999-I1038 HydrophobicContact CB-CD1 4.02Å; V999-I1038 HydrophobicContact CG2-CD1 4.22Å; V999-I1038 HydrophobicContact CG2-CG2 4.08Å | ||
| 1000 | H | 50.7 | Low | 58.8 | Low | 69 Ų | 69 | 44.8 Ų | 44.8 | 32% | 0.319 | 22% | 0.22 | S | C | . | . | trans | -101.8 | 88.7 | 177.8 | -88.5 | -29.2 | 0 | 0 | 0 | 113.2 | H971 P998 H1029 | H971-H1000 VanDerWaalsContact CE1-CB 3.48Å; H971-H1000 WeakPolarHBondContact CE1-CB 3.44Å; H971-H1000 PolarHBondContact ND1-O 3.43Å; P998-H1000 PolarHBondContact O-N 2.97Å; H1000-H1029 PolarHBondContact CE1-O 2.91Å; H1000-H1029 PolarHBondContact ND1-O 2.91Å; H1000-H1029 VanDerWaalsContact ND1-O 3.17Å | ||
| 1001 | H | 49.8 | Very low | 59.6 | Low | 20 Ų | 20 | 41.7 Ų | 41.7 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | trans | -82.1 | 144.9 | 167.4 | -56.1 | -38.7 | 0 | 0 | 0 | 112.5 | I970 H972 V999 H1034 | I970-H1001 PolarHBondContact O-ND1 2.88Å; H972-H1001 AromaticContact CD2-CE1 3.72Å; H972-H1001 AromaticContact CD2-ND1 3.93Å; V999-H1001 WeakPolarHBondContact CG1-CE1 3.24Å; H1001-H1034 WeakPolarHBondContact CB-CE1 2.99Å; H1001-H1034 WeakPolarHBondContact CB-NE2 3.31Å; H1001-H1034 AromaticContact CD2-CE1 3.82Å; H1001-H1034 AromaticContact CD2-ND1 3.94Å; H1001-H1034 AromaticContact CG-CE1 3.89Å | ||
| 1002 | Q | 47.5 | Very low | 60.6 | Low | 114 Ų | 114 | 40.8 Ų | 40.8 | 53% | 0.533 | 20% | 0.2 | S | C | . | . | trans | -109.5 | -27.3 | 175.8 | -68.2 | -170.8 | 2.4 | 0 | 0 | 114.5 | N1032 | Q1002-N1032 PolarHBondContact O-ND2 3.29Š| ||
| 1003 | N | 48.7 | Very low | 61.2 | Low | 82 Ų | 82 | 44 Ų | 44 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -131 | 157.1 | -172.8 | -78.1 | -33.4 | 0 | 0 | 0 | 112.6 | Q973 H1005 H1034 | Q973-N1003 PolarHBondContact O-ND2 3.36Å; N1003-H1005 PolarHBondContact O-N 2.78Å; N1003-H1034 PolarHBondContact O-CE1 3.23Å |
| 1004 | N | 47.2 | Very low | 61.5 | Low | 111 Ų | 111 | 44.5 Ų | 44.5 | 59% | 0.594 | 22% | 0.217 | S | C | * | . | trans | -47.1 | 118.9 | -175.4 | -62.1 | -22 | 0 | 0 | 0 | 113.5 | N975 | N975-N1004 PolarHBondContact OD1-O 3.18Š| ||
| 1005 | H | 50.8 | Low | 61.5 | Low | 16 Ų | 16 | 46 Ų | 46 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | trans | -109.1 | 163.2 | 170.8 | -121.8 | -115 | 0 | 0 | 0 | 111 | H972 H976 N1003 D1007 | H972-H1005 AromaticContact CD2-CD2 3.97Å; H972-H1005 AromaticContact CD2-NE2 3.21Å; H972-H1005 PolarHBondContact CD2-NE2 2.86Å; H972-H1005 AromaticContact CE1-NE2 3.87Å; H972-H1005 AromaticContact CG-NE2 3.96Å; H972-H1005 AromaticContact NE2-NE2 3.17Å; H972-H1005 PolarHBondContact NE2-NE2 3.01Å; H972-H1005 VanDerWaalsContact NE2-NE2 3.17Å; H976-H1005 VanDerWaalsContact CB-NE2 3.3Å; H976-H1005 WeakPolarHBondContact CB-NE2 3.35Å; H976-H1005 AromaticContact CD2-NE2 3.94Å; H976-H1005 AromaticContact CG-NE2 3.8Å; N1003-H1005 PolarHBondContact O-N 2.78Å; H1005-D1007 PolarHBondContact CE1-O 3.38Å; H1005-D1007 PolarHBondContact ND1-O 2.79Å; H1005-D1007 VanDerWaalsContact ND1-O 3.12Å | ||
| 1006 | R | 53 | Low | 61.9 | Low | 174 Ų | 174 | 45.4 Ų | 45.4 | 66% | 0.657 | 23% | 0.225 | S | C | * | . | trans | -131.9 | -12.7 | 178.3 | -76.8 | -169.7 | 174.7 | -167.2 | -0.3 | 115.5 | D1036 | R1006-D1036 WeakPolarHBondContact CA-OD2 3.21Å; R1006-D1036 VanDerWaalsContact O-CG 3.25Å | ||
| 1007 | D | 61 | Low | 62.2 | Low | 48 Ų | 48 | 47 Ų | 47 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -137 | 148.9 | -172.9 | -77.4 | -83.8 | 0 | 0 | 0 | 109.6 | H1005 | H1005-D1007 PolarHBondContact CE1-O 3.38Å; H1005-D1007 PolarHBondContact ND1-O 2.79Å; H1005-D1007 VanDerWaalsContact ND1-O 3.12Å |
| 1008 | P | 68.5 | Low | 62.7 | Low | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.065 | 21% | 0.214 | C | C | . | . | trans | -77.8 | 146.9 | -166.9 | 31.7 | -38 | 0 | 0 | 0 | 112.7 | P979 V1010 P1037 | P979-P1008 WeakPolarHBondContact CA-O 3.14Å; P979-P1008 HydrophobicContact CB-CG 4.45Å; P979-P1008 WeakPolarHBondContact CB-O 3.16Å; P1008-V1010 VanDerWaalsContact C-N 3.28Å; P1008-V1010 PolarHBondContact O-N 3.22Å; P1008-P1037 WeakPolarHBondContact CA-O 3.37Å; P1008-P1037 WeakPolarHBondContact CB-O 3.4Å | ||
| 1009 | T | 68.6 | Low | 63.2 | Low | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -53.8 | -43.4 | 174 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | I970 T980 V981 I1038 | I970-T1009 HydrophobicContact CD1-CG2 3.66Å; I970-T1009 HydrophobicContact CG1-CG2 4.21Å; T980-T1009 WeakPolarHBondContact CB-O 3.3Å; T980-T1009 PolarHBondContact N-O 2.57Å; V981-T1009 PolarHBondContact N-O 2.86Å; V981-T1009 VanDerWaalsContact N-O 3.13Å; T1009-I1038 WeakPolarHBondContact CA-O 3.39Å; T1009-I1038 WeakPolarHBondContact CB-O 3.32Å; T1009-I1038 PolarHBondContact N-O 3.23Å |
| 1010 | V | 74.2 | Confident | 63.4 | Low | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.2 | 178.2 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | I964 L967 V981 F983 P1008 F1012 I1038 V1039 S1040 | I964-V1010 HydrophobicContact CD1-CG1 3.77Å; I964-V1010 HydrophobicContact CD1-CG2 3.94Å; L967-V1010 HydrophobicContact CD1-CG2 3.96Å; V981-V1010 HydrophobicContact CB-CG1 4.3Å; F983-V1010 HydrophobicContact CE2-CG1 4.18Å; P1008-V1010 VanDerWaalsContact C-N 3.28Å; P1008-V1010 PolarHBondContact O-N 3.22Å; V1010-F1012 HydrophobicContact CB-CE2 4.17Å; V1010-F1012 HydrophobicContact CG1-CD2 3.99Å; V1010-F1012 HydrophobicContact CG1-CE1 4.44Å; V1010-F1012 HydrophobicContact CG1-CE2 3.25Å; V1010-F1012 HydrophobicContact CG1-CZ 3.53Å; V1010-I1038 PolarHBondContact N-O 3.05Å; V1010-I1038 VanDerWaalsContact N-O 3.11Å; V1010-V1039 HydrophobicContact CB-CG1 4.3Å; V1010-V1039 WeakPolarHBondContact O-CA 3.43Å; V1010-S1040 PolarHBondContact O-N 3.06Å |
| 1011 | S | 78.9 | Confident | 64 | Low | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 110.4 | -174.1 | 153.1 | 0 | 0 | 0 | 0 | 112 | P979 V981 S982 F983 K1013 | P979-S1011 VanDerWaalsContact CG-CB 3.47Å; V981-S1011 PolarHBondContact O-N 2.85Å; S982-S1011 WeakPolarHBondContact CA-O 3.48Å; F983-S1011 PolarHBondContact N-O 3.11Å; S1011-K1013 WeakPolarHBondContact OG-CD 3.32Å; S1011-K1013 WeakPolarHBondContact OG-CE 3.41Å; S1011-K1013 PolarHBondContact OG-NZ 2.81Å |
| 1012 | F | 79.1 | Confident | 64.9 | Low | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.5 | 173.1 | -54.3 | -96.9 | 0 | 0 | 0 | 110.7 | I963 I964 F983 F989 T992 I993 V1010 F1018 V1039 S1040 F1041 K1042 | I963-F1012 HydrophobicContact CB-CE1 4.5Å; I963-F1012 HydrophobicContact CD1-CE1 4.14Å; I963-F1012 HydrophobicContact CG2-CE1 4.36Å; I964-F1012 HydrophobicContact CD1-CZ 4.4Å; F983-F1012 HydrophobicContact CB-CD1 3.96Å; F983-F1012 AromaticContact CD2-CD1 3.36Å; F983-F1012 HydrophobicContact CD2-CD1 3.36Å; F983-F1012 AromaticContact CD2-CE1 3.26Å; F983-F1012 HydrophobicContact CD2-CE1 3.26Å; F983-F1012 HydrophobicContact CD2-CG 4.15Å; F983-F1012 AromaticContact CD2-CZ 3.99Å; F983-F1012 HydrophobicContact CD2-CZ 3.99Å; F983-F1012 HydrophobicContact CE2-CD1 4.06Å; F983-F1012 AromaticContact CE2-CE1 3.44Å; F983-F1012 HydrophobicContact CE2-CE1 3.44Å; F983-F1012 VanDerWaalsContact CE2-CE1 3.44Å; F983-F1012 AromaticContact CE2-CZ 3.88Å; F983-F1012 HydrophobicContact CE2-CZ 3.88Å; F983-F1012 AromaticContact CG-CD1 3.79Å; F983-F1012 HydrophobicContact CG-CD1 3.79Å; F983-F1012 AromaticContact CG-CE1 3.95Å; F983-F1012 HydrophobicContact CG-CE1 3.95Å; F983-F1012 HydrophobicContact CZ-CE1 4.25Å; F989-F1012 HydrophobicContact CE1-CD1 4.09Å; F989-F1012 HydrophobicContact CE2-CB 4.01Å; F989-F1012 HydrophobicContact CE2-CD1 4.07Å; F989-F1012 HydrophobicContact CZ-CB 4.27Å; F989-F1012 AromaticContact CZ-CD1 3.61Å; F989-F1012 HydrophobicContact CZ-CD1 3.61Å; F989-F1012 HydrophobicContact CZ-CG 4.43Å; T992-F1012 HydrophobicContact CG2-CD1 3.99Å; T992-F1012 HydrophobicContact CG2-CE1 3.45Å; T992-F1012 VanDerWaalsContact CG2-CE1 3.45Å; T992-F1012 HydrophobicContact CG2-CE2 4.16Å; T992-F1012 HydrophobicContact CG2-CZ 3.54Å; I993-F1012 HydrophobicContact CD1-CE2 3.94Å; I993-F1012 HydrophobicContact CD1-CZ 4.12Å; I993-F1012 HydrophobicContact CG1-CE2 4.4Å; I993-F1012 HydrophobicContact CG1-CZ 4.13Å; V1010-F1012 HydrophobicContact CB-CE2 4.17Å; V1010-F1012 HydrophobicContact CG1-CD2 3.99Å; V1010-F1012 HydrophobicContact CG1-CE1 4.44Å; V1010-F1012 HydrophobicContact CG1-CE2 3.25Å; V1010-F1012 HydrophobicContact CG1-CZ 3.53Å; F1012-F1018 HydrophobicContact CB-CE1 3.52Å; F1012-F1018 HydrophobicContact CB-CZ 3.64Å; F1012-F1018 HydrophobicContact CG-CE1 4.18Å; F1012-V1039 HydrophobicContact CD2-CG1 4.13Å; F1012-V1039 HydrophobicContact CE2-CG1 3.84Å; F1012-S1040 PolarHBondContact N-O 3.07Å; F1012-F1041 HydrophobicContact CB-CD1 3.74Å; F1012-F1041 HydrophobicContact CB-CE1 4.05Å; F1012-F1041 HydrophobicContact CD1-CE1 4.33Å; F1012-F1041 AromaticContact CD2-CD1 3.55Å; F1012-F1041 HydrophobicContact CD2-CD1 3.55Å; F1012-F1041 AromaticContact CD2-CE1 3.07Å; F1012-F1041 HydrophobicContact CD2-CE1 3.07Å; F1012-F1041 HydrophobicContact CD2-CG 4.47Å; F1012-F1041 AromaticContact CD2-CZ 3.69Å; F1012-F1041 HydrophobicContact CD2-CZ 3.69Å; F1012-F1041 HydrophobicContact CE2-CD1 4.35Å; F1012-F1041 AromaticContact CE2-CE1 3.45Å; F1012-F1041 HydrophobicContact CE2-CE1 3.45Å; F1012-F1041 VanDerWaalsContact CE2-CE1 3.45Å; F1012-F1041 AromaticContact CE2-CZ 3.68Å; F1012-F1041 HydrophobicContact CE2-CZ 3.68Å; F1012-F1041 AromaticContact CG-CD1 3.83Å; F1012-F1041 HydrophobicContact CG-CD1 3.83Å; F1012-F1041 AromaticContact CG-CE1 3.58Å; F1012-F1041 HydrophobicContact CG-CE1 3.58Å; F1012-F1041 HydrophobicContact CZ-CE1 4.23Å; F1012-K1042 PolarHBondContact O-N 3.5Å |
| 1013 | K | 79.7 | Confident | 65.8 | Low | 68 Ų | 68 | 35.9 Ų | 35.9 | 30% | 0.296 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 94 | -176.1 | -74.7 | 158 | 180 | 149.3 | 0 | 109.2 | F983 K984 S985 S1011 K1042 | F983-K1013 PolarHBondContact O-N 3.46Å; K984-K1013 WeakPolarHBondContact CA-O 3.34Å; K984-K1013 HydrophobicContact CG-CB 4.38Å; S985-K1013 PolarHBondContact N-O 3.4Å; S1011-K1013 WeakPolarHBondContact OG-CD 3.32Å; S1011-K1013 WeakPolarHBondContact OG-CE 3.41Å; S1011-K1013 PolarHBondContact OG-NZ 2.81Å; K1013-K1042 WeakPolarHBondContact CA-O 3.37Å; K1013-K1042 HydrophobicContact CG-CB 4.07Å; K1013-K1042 HydrophobicContact CG-CD 4.42Å |
| 1014 | S | 76 | Confident | 66.4 | Low | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.1 | -175.1 | -171 | 0 | 0 | 0 | 0 | 112.8 | N1016 K1042 S1043 S1044 | S1014-N1016 PolarHBondContact OG-N 3.26Å; S1014-K1042 PolarHBondContact N-O 2.97Å; S1014-S1043 WeakPolarHBondContact O-CA 3.2Å; S1014-S1044 PolarHBondContact O-N 3.31Å |
| 1015 | P | 69.9 | Low | 66.9 | Low | 50 Ų | 50 | 30.9 Ų | 30.9 | 33% | 0.325 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -68.9 | -28.1 | 163.2 | 29.8 | -35.5 | 0 | 0 | 0 | 112 | P986 S1044 N1045 | P986-P1015 WeakPolarHBondContact O-CD 3.47Å; P986-P1015 WeakPolarHBondContact O-CG 3.4Å; P1015-S1044 VanDerWaalsContact CA-OG 3.25Å; P1015-S1044 WeakPolarHBondContact CA-OG 3.18Å; P1015-S1044 PolarHBondContact O-OG 3.13Å; P1015-N1045 PolarHBondContact O-ND2 3.44Å; P1015-N1045 PolarHBondContact O-OD1 3.13Å |
| 1016 | N | 71.5 | Confident | 67.2 | Low | 55 Ų | 55 | 33.7 Ų | 33.7 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -112.6 | -165.2 | -164 | -71.5 | -7.5 | 0 | 0 | 0 | 112.4 | S987 S1014 S1043 N1045 | S987-N1016 WeakPolarHBondContact O-CB 3.44Å; S987-N1016 VanDerWaalsContact O-CG 3.32Å; S987-N1016 PolarHBondContact O-ND2 3.42Å; S1014-N1016 PolarHBondContact OG-N 3.26Å; N1016-S1043 PolarHBondContact O-OG 2.89Å; N1016-N1045 PolarHBondContact OD1-ND2 3.42Å |
| 1017 | N | 66.2 | Low | 67.1 | Low | 44 Ų | 44 | 27 Ų | 27 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | trans | -79.4 | 165.2 | -167.4 | -53.5 | -59.2 | 0 | 0 | 0 | 111.8 | D988 F989 N1045 N1046 I1048 | D988-N1017 PolarHBondContact OD1-N 3.19Å; D988-N1017 VanDerWaalsContact OD1-N 3.12Å; F989-N1017 PolarHBondContact N-O 2.81Å; N1017-N1045 WeakPolarHBondContact OD1-CB 3.2Å; N1017-N1046 WeakPolarHBondContact CA-O 3.06Å; N1017-N1046 WeakPolarHBondContact CB-O 3.44Å; N1017-N1046 PolarHBondContact OD1-N 3.49Å; N1017-N1046 VanDerWaalsContact OD1-N 3.16Å; N1017-N1046 PolarHBondContact OD1-O 3.41Å; N1017-I1048 HydrophobicContact CB-CD1 4.47Å | ||
| 1018 | F | 67.4 | Low | 66.8 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.9 | 165.5 | -69.6 | -105.7 | 0 | 0 | 0 | 108.3 | F989 F1012 I1021 F1041 N1046 F1047 I1048 | F989-F1018 HydrophobicContact CB-CD1 3.77Å; F989-F1018 HydrophobicContact CB-CE1 4.26Å; F989-F1018 HydrophobicContact CB-CG 4.32Å; F989-F1018 AromaticContact CD2-CD1 3.4Å; F989-F1018 HydrophobicContact CD2-CD1 3.4Å; F989-F1018 HydrophobicContact CD2-CD2 4.41Å; F989-F1018 AromaticContact CD2-CE1 3.02Å; F989-F1018 HydrophobicContact CD2-CE1 3.02Å; F989-F1018 HydrophobicContact CD2-CE2 4.14Å; F989-F1018 HydrophobicContact CD2-CG 4.1Å; F989-F1018 AromaticContact CD2-CZ 3.46Å; F989-F1018 HydrophobicContact CD2-CZ 3.46Å; F989-F1018 VanDerWaalsContact CD2-CZ 3.46Å; F989-F1018 HydrophobicContact CE2-CD1 4.12Å; F989-F1018 AromaticContact CE2-CE1 3.27Å; F989-F1018 HydrophobicContact CE2-CE1 3.27Å; F989-F1018 HydrophobicContact CE2-CE2 4.42Å; F989-F1018 AromaticContact CE2-CZ 3.47Å; F989-F1018 HydrophobicContact CE2-CZ 3.47Å; F989-F1018 VanDerWaalsContact CE2-CZ 3.47Å; F989-F1018 AromaticContact CG-CD1 3.97Å; F989-F1018 HydrophobicContact CG-CD1 3.97Å; F989-F1018 AromaticContact CG-CE1 3.93Å; F989-F1018 HydrophobicContact CG-CE1 3.93Å; F989-F1018 HydrophobicContact CZ-CE1 4.37Å; F1012-F1018 HydrophobicContact CB-CE1 3.52Å; F1012-F1018 HydrophobicContact CB-CZ 3.64Å; F1012-F1018 HydrophobicContact CG-CE1 4.18Å; F1018-I1021 HydrophobicContact CB-CD1 3.61Å; F1018-I1021 HydrophobicContact CB-CG1 4.01Å; F1018-I1021 HydrophobicContact CD1-CG2 4.31Å; F1018-I1021 HydrophobicContact CG-CD1 4.45Å; F1018-F1041 AromaticContact CD1-CD1 3.83Å; F1018-F1041 HydrophobicContact CD1-CD1 3.83Å; F1018-F1041 HydrophobicContact CD1-CE1 4.31Å; F1018-F1041 AromaticContact CE1-CD1 3.46Å; F1018-F1041 HydrophobicContact CE1-CD1 3.46Å; F1018-F1041 VanDerWaalsContact CE1-CD1 3.46Å; F1018-F1041 HydrophobicContact CE1-CE1 4.06Å; F1018-F1041 HydrophobicContact CZ-CD1 4.1Å; F1018-N1046 PolarHBondContact N-O 2.75Å; F1018-F1047 HydrophobicContact CB-CD1 3.8Å; F1018-F1047 HydrophobicContact CB-CE1 4.08Å; F1018-F1047 AromaticContact CD2-CD1 3.94Å; F1018-F1047 HydrophobicContact CD2-CD1 3.94Å; F1018-F1047 AromaticContact CD2-CE1 3.43Å; F1018-F1047 HydrophobicContact CD2-CE1 3.43Å; F1018-F1047 VanDerWaalsContact CD2-CE1 3.43Å; F1018-F1047 HydrophobicContact CD2-CZ 4.34Å; F1018-F1047 AromaticContact CE2-CE1 3.88Å; F1018-F1047 HydrophobicContact CE2-CE1 3.88Å; F1018-F1047 HydrophobicContact CE2-CZ 4.46Å; F1018-F1047 HydrophobicContact CG-CD1 4.06Å; F1018-F1047 AromaticContact CG-CE1 3.81Å; F1018-F1047 HydrophobicContact CG-CE1 3.81Å; F1018-I1048 PolarHBondContact O-N 2.67Å; F1018-I1048 VanDerWaalsContact O-N 3.09Å |
| 1019 | T | 63.6 | Low | 65.9 | Low | 39 Ų | 39 | 29.5 Ų | 29.5 | 24% | 0.239 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139 | 177.5 | 33.6 | 0 | 0 | 0 | 0 | 110.1 | F989 I990 D991 I1048 | F989-T1019 PolarHBondContact O-N 2.93Å; F989-T1019 PolarHBondContact O-OG1 2.85Å; I990-T1019 CarbonylContact C-O 3.53Å; I990-T1019 WeakPolarHBondContact CA-O 3.46Å; D991-T1019 PolarHBondContact N-O 3.48Å; D991-T1019 VanDerWaalsContact N-O 3.15Å; T1019-I1048 WeakPolarHBondContact CA-O 3.23Å; T1019-I1048 HydrophobicContact CG2-CB 3.81Å; T1019-I1048 HydrophobicContact CG2-CD1 4.3Å; T1019-I1048 HydrophobicContact CG2-CG2 3.92Å |
| 1020 | N | 58.8 | Low | 65 | Low | 24 Ų | 24 | 31.9 Ų | 31.9 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 49.6 | 73.5 | 178.6 | -58.8 | 7 | 0 | 0 | 0 | 112.2 | D991 T992 D1049 | D991-N1020 CarbonylContact C-O 3.54Å; D991-N1020 WeakPolarHBondContact CA-O 3.48Å; D991-N1020 PolarHBondContact N-O 3.46Å; D991-N1020 VanDerWaalsContact N-O 3.15Å; D991-N1020 WeakPolarHBondContact OD1-CB 3.33Å; D991-N1020 PolarHBondContact OD1-ND2 3.37Å; T992-N1020 PolarHBondContact N-O 3.39Å; N1020-D1049 VanDerWaalsContact CA-O 3.27Å; N1020-D1049 WeakPolarHBondContact CA-O 3.25Å; N1020-D1049 PolarHBondContact N-O 2.86Å; N1020-D1049 VanDerWaalsContact N-O 3.07Å |
| 1021 | I | 64.4 | Low | 63.7 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -88.8 | -34 | -155.9 | -41.4 | -179.6 | 0 | 0 | 0 | 112.5 | T992 I993 F1018 F1041 F1047 T1050 F1070 | T992-I1021 VanDerWaalsContact CB-O 3.25Å; T992-I1021 WeakPolarHBondContact CB-O 3.24Å; T992-I1021 HydrophobicContact CG2-CG2 4.39Å; I993-I1021 PolarHBondContact N-O 3.18Å; I993-I1021 VanDerWaalsContact N-O 3.09Å; F1018-I1021 HydrophobicContact CB-CD1 3.61Å; F1018-I1021 HydrophobicContact CB-CG1 4.01Å; F1018-I1021 HydrophobicContact CD1-CG2 4.31Å; F1018-I1021 HydrophobicContact CG-CD1 4.45Å; I1021-F1041 HydrophobicContact CG2-CD1 3.59Å; I1021-F1041 HydrophobicContact CG2-CD2 4.12Å; I1021-F1041 HydrophobicContact CG2-CE1 3.16Å; I1021-F1041 HydrophobicContact CG2-CE2 3.73Å; I1021-F1041 HydrophobicContact CG2-CG 4.06Å; I1021-F1041 HydrophobicContact CG2-CZ 3.25Å; I1021-F1047 HydrophobicContact CD1-CB 4.45Å; I1021-F1047 HydrophobicContact CD1-CD1 3.54Å; I1021-F1047 HydrophobicContact CD1-CE1 4.26Å; I1021-F1047 HydrophobicContact CD1-CG 4.4Å; I1021-T1050 WeakPolarHBondContact CB-O 3.43Å; I1021-T1050 HydrophobicContact CD1-CG2 3.99Å; I1021-T1050 WeakPolarHBondContact CG1-O 3.12Å; I1021-T1050 PolarHBondContact N-O 3.37Å; I1021-F1070 HydrophobicContact CB-CE1 4.49Å; I1021-F1070 HydrophobicContact CD1-CD1 4.34Å; I1021-F1070 HydrophobicContact CD1-CE1 3.75Å; I1021-F1070 HydrophobicContact CG2-CE1 4.34Å | ||
| 1022 | I | 66.8 | Low | 62.1 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -143.4 | 140.6 | 173.1 | -46.2 | 173.8 | 0 | 0 | 0 | 109 | I993 L996 L1025 F1041 I1051 H1052 V1068 | I993-I1022 HydrophobicContact CB-CG1 4.49Å; I993-I1022 HydrophobicContact CB-CG2 4.28Å; I993-I1022 HydrophobicContact CD1-CG1 4.4Å; I993-I1022 WeakPolarHBondContact O-CA 3.41Å; L996-I1022 HydrophobicContact CD1-CG2 4.09Å; I1022-L1025 HydrophobicContact CB-CD1 4.45Å; I1022-L1025 HydrophobicContact CD1-CD1 3.72Å; I1022-L1025 HydrophobicContact CG2-CB 4.16Å; I1022-L1025 HydrophobicContact CG2-CD1 3.8Å; I1022-L1025 HydrophobicContact CG2-CG 3.86Å; I1022-F1041 HydrophobicContact CD1-CE2 4.11Å; I1022-F1041 HydrophobicContact CG1-CE2 4.3Å; I1022-F1041 HydrophobicContact CG1-CZ 4.34Å; I1022-I1051 HydrophobicContact CB-CG2 4.22Å; I1022-I1051 WeakPolarHBondContact O-CA 3.45Å; I1022-H1052 PolarHBondContact O-N 2.72Å; I1022-V1068 HydrophobicContact CD1-CG1 4.17Å; I1022-V1068 HydrophobicContact CD1-CG2 3.69Å |
| 1023 | H | 66.6 | Low | 60.5 | Low | 18 Ų | 18 | 47.6 Ų | 47.6 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | trans | -124.5 | 149.3 | 165.7 | -49.8 | -95.9 | 0 | 0 | 0 | 108.7 | D991 I993 H994 H1052 | D991-H1023 IonicContact OD1-CE1 3.88Å; D991-H1023 IonicContact OD1-NE2 3.37Å; D991-H1023 PolarHBondContact OD1-NE2 3.36Å; I993-H1023 PolarHBondContact O-N 3.39Å; H994-H1023 AromaticContact CE1-CD2 3.36Å; H994-H1023 PolarHBondContact CE1-CD2 2.95Å; H994-H1023 AromaticContact CE1-CG 3.57Å; H994-H1023 AromaticContact ND1-CD2 4Å; H994-H1023 AromaticContact NE2-CD2 3.38Å; H994-H1023 PolarHBondContact NE2-CD2 2.95Å; H994-H1023 AromaticContact NE2-NE2 3.96Å; H1023-H1052 AromaticContact CE1-CD2 3.52Å; H1023-H1052 AromaticContact ND1-CD2 3.42Å; H1023-H1052 PolarHBondContact ND1-CD2 2.82Å; H1023-H1052 AromaticContact ND1-CG 3.76Å | ||
| 1024 | D | 61.7 | Low | 59 | Low | 79 Ų | 79 | 45.2 Ų | 45.2 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 54.5 | 77.2 | 172.6 | -57 | -70.4 | 0 | 0 | 0 | 113.3 | D995 L996 | D995-D1024 PolarHBondContact N-O 3.19Å; L996-D1024 PolarHBondContact N-O 3.19Å |
| 1025 | L | 58.4 | Low | 57.8 | Low | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -115 | 111 | -172.6 | -142.7 | -176.5 | 0 | 0 | 0 | 112 | L996 I1022 D1053 L1054 D1055 T1067 V1068 | L996-L1025 HydrophobicContact CB-CD2 3.94Å; L996-L1025 HydrophobicContact CB-CG 4.09Å; L996-L1025 HydrophobicContact CD1-CD2 4.28Å; L996-L1025 HydrophobicContact CD1-CG 4.04Å; I1022-L1025 HydrophobicContact CB-CD1 4.45Å; I1022-L1025 HydrophobicContact CD1-CD1 3.72Å; I1022-L1025 HydrophobicContact CG2-CB 4.16Å; I1022-L1025 HydrophobicContact CG2-CD1 3.8Å; I1022-L1025 HydrophobicContact CG2-CG 3.86Å; L1025-D1053 PolarHBondContact N-O 2.91Å; L1025-D1053 VanDerWaalsContact N-O 3.1Å; L1025-L1054 HydrophobicContact CB-CD2 4.26Å; L1025-L1054 HydrophobicContact CB-CG 4.29Å; L1025-L1054 HydrophobicContact CD1-CD2 4.16Å; L1025-L1054 HydrophobicContact CD1-CG 4.2Å; L1025-D1055 PolarHBondContact O-N 3.36Å; L1025-T1067 HydrophobicContact CD1-CG2 4.38Å; L1025-T1067 HydrophobicContact CD2-CG2 4.19Å; L1025-V1068 HydrophobicContact CD1-CG2 4.15Å |
| 1026 | D | 56 | Low | 57.2 | Low | 76 Ų | 76 | 51.9 Ų | 51.9 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | trans | -82 | 150.4 | -169.5 | -139.2 | 55.2 | 0 | 0 | 0 | 113.2 | L996 P998 I1028 | L996-D1026 WeakPolarHBondContact O-CB 3.42Å; L996-D1026 PolarHBondContact O-N 2.82Å; P998-D1026 HydrophobicContact CG-CB 4.02Å; P998-D1026 WeakPolarHBondContact CG-OD2 3.32Å; D1026-I1028 PolarHBondContact O-N 3.44Å | ||
| 1027 | P | 51.8 | Low | 56.9 | Low | 34 Ų | 34 | 50 Ų | 50 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | trans | -83.4 | 113 | -164.1 | 30.1 | -32.1 | 0 | 0 | 0 | 114.1 | D1055 | P1027-D1055 HydrophobicContact CB-CB 4.43Å; P1027-D1055 HydrophobicContact CG-CB 4.26Å | ||
| 1028 | I | 54.7 | Low | 56.9 | Low | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | trans | -67.7 | 140.1 | -172.5 | -59.6 | 107.4 | 0 | 0 | 0 | 114.9 | V999 D1026 I1038 V1057 T1067 | V999-I1028 WeakPolarHBondContact O-CG2 3.39Å; D1026-I1028 PolarHBondContact O-N 3.44Å; I1028-I1038 HydrophobicContact CD1-CD1 3.79Å; I1028-I1038 HydrophobicContact CG1-CD1 3.72Å; I1028-I1038 HydrophobicContact CG2-CD1 4.24Å; I1028-V1057 WeakPolarHBondContact O-CG1 3.34Å; I1028-T1067 HydrophobicContact CD1-CG2 3.38Å | ||
| 1029 | H | 50 | Low | 57.1 | Low | 105 Ų | 105 | 48.5 Ų | 48.5 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | trans | -106.6 | 86.4 | 174.5 | -89.5 | -16.8 | 0 | 0 | 0 | 113.2 | H1000 | H1000-H1029 PolarHBondContact CE1-O 2.91Å; H1000-H1029 PolarHBondContact ND1-O 2.91Å; H1000-H1029 VanDerWaalsContact ND1-O 3.17Å | ||
| 1030 | H | 49 | Very low | 57.7 | Low | 52 Ų | 52 | 47.8 Ų | 47.8 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -71.4 | 129 | 169.2 | -58.4 | -74.3 | 0 | 0 | 0 | 112 | H1059 | H1030-H1059 AromaticContact CD2-CE1 3.93Š| ||
| 1031 | Q | 46.4 | Very low | 58.6 | Low | 144 Ų | 144 | 46.6 Ų | 46.6 | 67% | 0.673 | 24% | 0.238 | S | C | * | . | trans | -101.3 | -28.8 | 173 | -62.6 | -167.2 | 17.5 | 0 | 0 | 113.8 | ||||
| 1032 | N | 46.8 | Very low | 59.2 | Low | 92 Ų | 92 | 51.7 Ų | 51.7 | 49% | 0.492 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -122.9 | 170.5 | -176.8 | -74.8 | -28.1 | 0 | 0 | 0 | 111.8 | Q1002 H1034 | Q1002-N1032 PolarHBondContact O-ND2 3.29Å; N1032-H1034 PolarHBondContact O-N 3.47Å |
| 1033 | N | 44.3 | Very low | 59.5 | Low | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | trans | -69.7 | 121.2 | 178.9 | -64.4 | -3.1 | 0 | 0 | 0 | 111.2 | ||||
| 1034 | H | 48.4 | Very low | 59.5 | Low | 18 Ų | 18 | 53.8 Ų | 53.8 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | trans | -120.4 | 161.8 | 167.6 | -78.6 | -101.6 | 0 | 0 | 0 | 109.3 | H1001 N1003 N1032 | H1001-H1034 WeakPolarHBondContact CB-CE1 2.99Å; H1001-H1034 WeakPolarHBondContact CB-NE2 3.31Å; H1001-H1034 AromaticContact CD2-CE1 3.82Å; H1001-H1034 AromaticContact CD2-ND1 3.94Å; H1001-H1034 AromaticContact CG-CE1 3.89Å; N1003-H1034 PolarHBondContact O-CE1 3.23Å; N1032-H1034 PolarHBondContact O-N 3.47Å | ||
| 1035 | H | 51.3 | Low | 60 | Low | 122 Ų | 122 | 53 Ų | 53 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | trans | -131.6 | -4.8 | -179.2 | -82.5 | -35.2 | 0 | 0 | 0 | 115.3 | D1065 | H1035-D1065 WeakPolarHBondContact CA-OD1 3.36Å; H1035-D1065 IonicContact CE1-OD1 3.81Å; H1035-D1065 IonicContact CG-OD1 2.71Å; H1035-D1065 IonicContact ND1-OD1 3.37Å; H1035-D1065 PolarHBondContact ND1-OD1 3.45Å; H1035-D1065 IonicContact ND1-OD2 3.38Å | ||
| 1036 | D | 55.9 | Low | 60.2 | Low | 77 Ų | 77 | 54.5 Ų | 54.5 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -131.4 | 148.6 | -172.5 | -72.8 | -72.2 | 0 | 0 | 0 | 110.5 | R1006 | R1006-D1036 WeakPolarHBondContact CA-OD2 3.21Å; R1006-D1036 VanDerWaalsContact O-CG 3.25Å |
| 1037 | P | 65.2 | Low | 60.5 | Low | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | trans | -81.1 | 156.7 | -165.3 | 33.1 | -37.5 | 0 | 0 | 0 | 113.1 | P1008 P1066 S1069 | P1008-P1037 WeakPolarHBondContact CA-O 3.37Å; P1008-P1037 WeakPolarHBondContact CB-O 3.4Å; P1037-P1066 VanDerWaalsContact CA-O 3.28Å; P1037-P1066 WeakPolarHBondContact CA-O 3.49Å; P1037-P1066 HydrophobicContact CB-CG 4.5Å; P1037-P1066 VanDerWaalsContact CB-O 3.31Å; P1037-P1066 WeakPolarHBondContact CB-O 3.42Å; P1037-S1069 VanDerWaalsContact CG-OG 3.29Å; P1037-S1069 WeakPolarHBondContact CG-OG 3.48Å | ||
| 1038 | I | 67.4 | Low | 60.7 | Low | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -68.9 | -42.8 | 175.9 | -61.3 | 172.9 | 0 | 0 | 0 | 110.5 | V999 T1009 V1010 I1028 T1067 | V999-I1038 HydrophobicContact CB-CD1 4.02Å; V999-I1038 HydrophobicContact CG2-CD1 4.22Å; V999-I1038 HydrophobicContact CG2-CG2 4.08Å; T1009-I1038 WeakPolarHBondContact CA-O 3.39Å; T1009-I1038 WeakPolarHBondContact CB-O 3.32Å; T1009-I1038 PolarHBondContact N-O 3.23Å; V1010-I1038 PolarHBondContact N-O 3.05Å; V1010-I1038 VanDerWaalsContact N-O 3.11Å; I1028-I1038 HydrophobicContact CD1-CD1 3.79Å; I1028-I1038 HydrophobicContact CG1-CD1 3.72Å; I1028-I1038 HydrophobicContact CG2-CD1 4.24Å; I1038-T1067 HydrophobicContact CD1-CG2 4.48Å; I1038-T1067 PolarHBondContact N-O 3.26Å |
| 1039 | V | 71.9 | Confident | 60.6 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.6 | 178.4 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | I993 L996 V1010 F1012 F1041 T1067 V1068 S1069 | I993-V1039 HydrophobicContact CD1-CG1 3.93Å; I993-V1039 HydrophobicContact CD1-CG2 4.16Å; L996-V1039 HydrophobicContact CD1-CG2 4.32Å; V1010-V1039 HydrophobicContact CB-CG1 4.3Å; V1010-V1039 WeakPolarHBondContact O-CA 3.43Å; F1012-V1039 HydrophobicContact CD2-CG1 4.13Å; F1012-V1039 HydrophobicContact CE2-CG1 3.84Å; V1039-F1041 HydrophobicContact CB-CE2 4.13Å; V1039-F1041 HydrophobicContact CG1-CD2 4.01Å; V1039-F1041 HydrophobicContact CG1-CE1 4.3Å; V1039-F1041 HydrophobicContact CG1-CE2 3.25Å; V1039-F1041 HydrophobicContact CG1-CZ 3.42Å; V1039-F1041 VanDerWaalsContact CG1-CZ 3.42Å; V1039-T1067 PolarHBondContact N-O 3.44Å; V1039-V1068 HydrophobicContact CB-CG1 4.28Å; V1039-V1068 WeakPolarHBondContact O-CA 3.24Å; V1039-S1069 PolarHBondContact O-N 3.49Å |
| 1040 | S | 76.1 | Confident | 60.9 | Low | 23 Ų | 23 | 49.1 Ų | 49.1 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.9 | 176.5 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | V1010 F1012 S1069 | V1010-S1040 PolarHBondContact O-N 3.06Å; F1012-S1040 PolarHBondContact N-O 3.07Å; S1040-S1069 WeakPolarHBondContact CA-OG 3.4Å; S1040-S1069 WeakPolarHBondContact CB-OG 3.33Å; S1040-S1069 PolarHBondContact OG-OG 3.2Å |
| 1041 | F | 77.1 | Confident | 61.3 | Low | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.3 | 174.4 | -63.8 | -78.3 | 0 | 0 | 0 | 110.4 | T992 I993 F1012 F1018 I1021 I1022 V1039 F1047 V1068 S1069 F1070 K1071 | T992-F1041 HydrophobicContact CG2-CE1 3.89Å; T992-F1041 HydrophobicContact CG2-CZ 4.39Å; I993-F1041 HydrophobicContact CD1-CZ 4.12Å; F1012-F1041 HydrophobicContact CB-CD1 3.74Å; F1012-F1041 HydrophobicContact CB-CE1 4.05Å; F1012-F1041 HydrophobicContact CD1-CE1 4.33Å; F1012-F1041 AromaticContact CD2-CD1 3.55Å; F1012-F1041 HydrophobicContact CD2-CD1 3.55Å; F1012-F1041 AromaticContact CD2-CE1 3.07Å; F1012-F1041 HydrophobicContact CD2-CE1 3.07Å; F1012-F1041 HydrophobicContact CD2-CG 4.47Å; F1012-F1041 AromaticContact CD2-CZ 3.69Å; F1012-F1041 HydrophobicContact CD2-CZ 3.69Å; F1012-F1041 HydrophobicContact CE2-CD1 4.35Å; F1012-F1041 AromaticContact CE2-CE1 3.45Å; F1012-F1041 HydrophobicContact CE2-CE1 3.45Å; F1012-F1041 VanDerWaalsContact CE2-CE1 3.45Å; F1012-F1041 AromaticContact CE2-CZ 3.68Å; F1012-F1041 HydrophobicContact CE2-CZ 3.68Å; F1012-F1041 AromaticContact CG-CD1 3.83Å; F1012-F1041 HydrophobicContact CG-CD1 3.83Å; F1012-F1041 AromaticContact CG-CE1 3.58Å; F1012-F1041 HydrophobicContact CG-CE1 3.58Å; F1012-F1041 HydrophobicContact CZ-CE1 4.23Å; F1018-F1041 AromaticContact CD1-CD1 3.83Å; F1018-F1041 HydrophobicContact CD1-CD1 3.83Å; F1018-F1041 HydrophobicContact CD1-CE1 4.31Å; F1018-F1041 AromaticContact CE1-CD1 3.46Å; F1018-F1041 HydrophobicContact CE1-CD1 3.46Å; F1018-F1041 VanDerWaalsContact CE1-CD1 3.46Å; F1018-F1041 HydrophobicContact CE1-CE1 4.06Å; F1018-F1041 HydrophobicContact CZ-CD1 4.1Å; I1021-F1041 HydrophobicContact CG2-CD1 3.59Å; I1021-F1041 HydrophobicContact CG2-CD2 4.12Å; I1021-F1041 HydrophobicContact CG2-CE1 3.16Å; I1021-F1041 HydrophobicContact CG2-CE2 3.73Å; I1021-F1041 HydrophobicContact CG2-CG 4.06Å; I1021-F1041 HydrophobicContact CG2-CZ 3.25Å; I1022-F1041 HydrophobicContact CD1-CE2 4.11Å; I1022-F1041 HydrophobicContact CG1-CE2 4.3Å; I1022-F1041 HydrophobicContact CG1-CZ 4.34Å; V1039-F1041 HydrophobicContact CB-CE2 4.13Å; V1039-F1041 HydrophobicContact CG1-CD2 4.01Å; V1039-F1041 HydrophobicContact CG1-CE1 4.3Å; V1039-F1041 HydrophobicContact CG1-CE2 3.25Å; V1039-F1041 HydrophobicContact CG1-CZ 3.42Å; V1039-F1041 VanDerWaalsContact CG1-CZ 3.42Å; F1041-F1047 HydrophobicContact CB-CE1 3.66Å; F1041-F1047 HydrophobicContact CB-CZ 3.78Å; F1041-V1068 HydrophobicContact CD2-CG1 3.66Å; F1041-V1068 HydrophobicContact CE2-CG1 3.69Å; F1041-S1069 PolarHBondContact N-O 2.87Å; F1041-F1070 HydrophobicContact CB-CD1 3.64Å; F1041-F1070 HydrophobicContact CB-CE1 3.96Å; F1041-F1070 HydrophobicContact CB-CG 4.49Å; F1041-F1070 AromaticContact CD2-CD1 3.85Å; F1041-F1070 HydrophobicContact CD2-CD1 3.85Å; F1041-F1070 AromaticContact CD2-CE1 3.32Å; F1041-F1070 HydrophobicContact CD2-CE1 3.32Å; F1041-F1070 AromaticContact CD2-CZ 3.8Å; F1041-F1070 HydrophobicContact CD2-CZ 3.8Å; F1041-F1070 HydrophobicContact CE2-CE1 4.03Å; F1041-F1070 HydrophobicContact CE2-CZ 4.21Å; F1041-F1070 HydrophobicContact CG-CD1 4Å; F1041-F1070 AromaticContact CG-CE1 3.77Å; F1041-F1070 HydrophobicContact CG-CE1 3.77Å; F1041-F1070 WeakPolarHBondContact O-CA 3.4Å; F1041-K1071 PolarHBondContact O-N 3.48Å |
| 1042 | K | 77.4 | Confident | 61.9 | Low | 106 Ų | 106 | 42.3 Ų | 42.3 | 46% | 0.461 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 119 | 178.1 | -169.2 | 176.2 | -177.4 | -179.3 | 0 | 110.4 | F1012 K1013 S1014 K1071 | F1012-K1042 PolarHBondContact O-N 3.5Å; K1013-K1042 WeakPolarHBondContact CA-O 3.37Å; K1013-K1042 HydrophobicContact CG-CB 4.07Å; K1013-K1042 HydrophobicContact CG-CD 4.42Å; S1014-K1042 PolarHBondContact N-O 2.97Å; K1042-K1071 WeakPolarHBondContact CA-O 3.35Å; K1042-K1071 HydrophobicContact CG-CB 4.4Å |
| 1043 | S | 74.2 | Confident | 62.3 | Low | 8 Ų | 8 | 42.8 Ų | 42.8 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.1 | 178.6 | -179 | 0 | 0 | 0 | 0 | 110.9 | S1014 N1016 N1045 K1071 S1072 | S1014-S1043 WeakPolarHBondContact O-CA 3.2Å; N1016-S1043 PolarHBondContact O-OG 2.89Å; S1043-N1045 PolarHBondContact OG-N 3.28Å; S1043-K1071 PolarHBondContact N-O 3.08Å; S1043-K1071 VanDerWaalsContact N-O 3.11Å; S1043-S1072 WeakPolarHBondContact O-CA 3.41Å; S1043-S1072 VanDerWaalsContact O-CB 3.28Å; S1043-S1072 WeakPolarHBondContact O-CB 3.22Å |
| 1044 | S | 66.7 | Low | 62.7 | Low | 55 Ų | 55 | 40.5 Ų | 40.5 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -83 | -17.6 | 161.5 | 34.9 | 0 | 0 | 0 | 0 | 113.9 | S1014 P1015 N1073 | S1014-S1044 PolarHBondContact O-N 3.31Å; P1015-S1044 VanDerWaalsContact CA-OG 3.25Å; P1015-S1044 WeakPolarHBondContact CA-OG 3.18Å; P1015-S1044 PolarHBondContact O-OG 3.13Å; S1044-N1073 PolarHBondContact O-ND2 2.96Å |
| 1045 | N | 70.4 | Confident | 62.7 | Low | 62 Ų | 62 | 44.1 Ų | 44.1 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -106 | -136.5 | -177.4 | -66.3 | -9 | 0 | 0 | 0 | 110.9 | P1015 N1016 N1017 S1043 | P1015-N1045 PolarHBondContact O-ND2 3.44Å; P1015-N1045 PolarHBondContact O-OD1 3.13Å; N1016-N1045 PolarHBondContact OD1-ND2 3.42Å; N1017-N1045 WeakPolarHBondContact OD1-CB 3.2Å; S1043-N1045 PolarHBondContact OG-N 3.28Å |
| 1046 | N | 62.7 | Low | 62.4 | Low | 40 Ų | 40 | 41.8 Ų | 41.8 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141.9 | -171.5 | -53.8 | -39.2 | 0 | 0 | 0 | 112 | N1017 F1018 I1048 N1074 I1076 | N1017-N1046 WeakPolarHBondContact CA-O 3.06Å; N1017-N1046 WeakPolarHBondContact CB-O 3.44Å; N1017-N1046 PolarHBondContact OD1-N 3.49Å; N1017-N1046 VanDerWaalsContact OD1-N 3.16Å; N1017-N1046 PolarHBondContact OD1-O 3.41Å; F1018-N1046 PolarHBondContact N-O 2.75Å; N1046-I1048 HydrophobicContact CB-CG1 4.23Å; N1046-N1074 WeakPolarHBondContact OD1-CB 3.44Å; N1046-I1076 HydrophobicContact CB-CD1 4.09Å; N1046-I1076 HydrophobicContact CB-CG1 4.27Å |
| 1047 | F | 62.7 | Low | 62.1 | Low | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.7 | 151.8 | -63.9 | -70.3 | 0 | 0 | 0 | 109.2 | F1018 I1021 F1041 F1070 S1072 F1075 I1076 | F1018-F1047 HydrophobicContact CB-CD1 3.8Å; F1018-F1047 HydrophobicContact CB-CE1 4.08Å; F1018-F1047 AromaticContact CD2-CD1 3.94Å; F1018-F1047 HydrophobicContact CD2-CD1 3.94Å; F1018-F1047 AromaticContact CD2-CE1 3.43Å; F1018-F1047 HydrophobicContact CD2-CE1 3.43Å; F1018-F1047 VanDerWaalsContact CD2-CE1 3.43Å; F1018-F1047 HydrophobicContact CD2-CZ 4.34Å; F1018-F1047 AromaticContact CE2-CE1 3.88Å; F1018-F1047 HydrophobicContact CE2-CE1 3.88Å; F1018-F1047 HydrophobicContact CE2-CZ 4.46Å; F1018-F1047 HydrophobicContact CG-CD1 4.06Å; F1018-F1047 AromaticContact CG-CE1 3.81Å; F1018-F1047 HydrophobicContact CG-CE1 3.81Å; I1021-F1047 HydrophobicContact CD1-CB 4.45Å; I1021-F1047 HydrophobicContact CD1-CD1 3.54Å; I1021-F1047 HydrophobicContact CD1-CE1 4.26Å; I1021-F1047 HydrophobicContact CD1-CG 4.4Å; F1041-F1047 HydrophobicContact CB-CE1 3.66Å; F1041-F1047 HydrophobicContact CB-CZ 3.78Å; F1047-F1070 AromaticContact CD1-CD1 3.95Å; F1047-F1070 HydrophobicContact CD1-CD1 3.95Å; F1047-F1070 HydrophobicContact CD2-CB 4.25Å; F1047-F1070 HydrophobicContact CD2-CD1 4.47Å; F1047-F1070 AromaticContact CE1-CD1 3.87Å; F1047-F1070 HydrophobicContact CE1-CD1 3.87Å; F1047-F1070 HydrophobicContact CE2-CB 3.9Å; F1047-F1070 HydrophobicContact CE2-CD1 4.33Å; F1047-F1070 HydrophobicContact CG-CD1 4.27Å; F1047-F1070 HydrophobicContact CZ-CB 4.25Å; F1047-F1070 HydrophobicContact CZ-CD1 4.05Å; F1047-S1072 VanDerWaalsContact CD2-OG 3.24Å; F1047-S1072 WeakPolarHBondContact CD2-OG 3.37Å; F1047-S1072 WeakPolarHBondContact CE2-OG 3.44Å; F1047-F1075 HydrophobicContact CB-CD1 4.1Å; F1047-F1075 HydrophobicContact CB-CD2 4.49Å; F1047-F1075 HydrophobicContact CB-CE1 3.65Å; F1047-F1075 HydrophobicContact CB-CE2 4.08Å; F1047-F1075 HydrophobicContact CB-CG 4.49Å; F1047-F1075 HydrophobicContact CB-CZ 3.61Å; F1047-F1075 AromaticContact CD2-CD2 3.74Å; F1047-F1075 HydrophobicContact CD2-CD2 3.74Å; F1047-F1075 HydrophobicContact CD2-CE1 4.33Å; F1047-F1075 AromaticContact CD2-CE2 3.17Å; F1047-F1075 HydrophobicContact CD2-CE2 3.17Å; F1047-F1075 AromaticContact CD2-CZ 3.5Å; F1047-F1075 HydrophobicContact CD2-CZ 3.5Å; F1047-F1075 VanDerWaalsContact CD2-CZ 3.5Å; F1047-F1075 AromaticContact CE2-CE2 3.86Å; F1047-F1075 HydrophobicContact CE2-CE2 3.86Å; F1047-F1075 HydrophobicContact CE2-CZ 4.36Å; F1047-F1075 HydrophobicContact CG-CE1 4.28Å; F1047-F1075 AromaticContact CG-CE2 3.89Å; F1047-F1075 HydrophobicContact CG-CE2 3.89Å; F1047-F1075 AromaticContact CG-CZ 3.71Å; F1047-F1075 HydrophobicContact CG-CZ 3.71Å; F1047-I1076 PolarHBondContact O-N 3.42Å |
| 1048 | I | 56.5 | Low | 61.1 | Low | 47 Ų | 47 | 45.4 Ų | 45.4 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.5 | -178.5 | -60.5 | 167.3 | 0 | 0 | 0 | 107.1 | N1017 F1018 T1019 N1046 | N1017-I1048 HydrophobicContact CB-CD1 4.47Å; F1018-I1048 PolarHBondContact O-N 2.67Å; F1018-I1048 VanDerWaalsContact O-N 3.09Å; T1019-I1048 WeakPolarHBondContact CA-O 3.23Å; T1019-I1048 HydrophobicContact CG2-CB 3.81Å; T1019-I1048 HydrophobicContact CG2-CD1 4.3Å; T1019-I1048 HydrophobicContact CG2-CG2 3.92Å; N1046-I1048 HydrophobicContact CB-CG1 4.23Å |
| 1049 | D | 52.6 | Low | 59.9 | Low | 59 Ų | 59 | 48 Ų | 48 | 32% | 0.316 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 45 | 78.4 | 174.5 | -59.3 | -11.7 | 0 | 0 | 0 | 112.9 | N1020 T1078 | N1020-D1049 VanDerWaalsContact CA-O 3.27Å; N1020-D1049 WeakPolarHBondContact CA-O 3.25Å; N1020-D1049 PolarHBondContact N-O 2.86Å; N1020-D1049 VanDerWaalsContact N-O 3.07Å; D1049-T1078 WeakPolarHBondContact OD1-CB 3.44Å; D1049-T1078 PolarHBondContact OD1-OG1 3.33Å |
| 1050 | T | 56.3 | Low | 58.3 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | trans | -79.5 | -49.6 | -148.2 | -42.9 | 0 | 0 | 0 | 0 | 115.4 | I1021 F1070 F1075 D1077 | I1021-T1050 WeakPolarHBondContact CB-O 3.43Å; I1021-T1050 HydrophobicContact CD1-CG2 3.99Å; I1021-T1050 WeakPolarHBondContact CG1-O 3.12Å; I1021-T1050 PolarHBondContact N-O 3.37Å; T1050-F1070 HydrophobicContact CG2-CD1 4.15Å; T1050-F1070 HydrophobicContact CG2-CE1 3.68Å; T1050-F1070 HydrophobicContact CG2-CE2 4.12Å; T1050-F1070 HydrophobicContact CG2-CZ 3.66Å; T1050-F1075 HydrophobicContact CG2-CE1 4.15Å; T1050-F1075 HydrophobicContact CG2-CZ 4.28Å; T1050-D1077 PolarHBondContact OG1-OD1 3.08Å | ||
| 1051 | I | 58.3 | Low | 56.5 | Low | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -147.5 | 146 | -174.9 | -51.4 | 175.5 | 0 | 0 | 0 | 109.7 | I1022 L1054 F1070 L1089 | I1022-I1051 HydrophobicContact CB-CG2 4.22Å; I1022-I1051 WeakPolarHBondContact O-CA 3.45Å; I1051-L1054 HydrophobicContact CB-CD1 4.43Å; I1051-L1054 HydrophobicContact CD1-CD1 3.72Å; I1051-L1054 HydrophobicContact CG2-CB 4.2Å; I1051-L1054 HydrophobicContact CG2-CD1 3.76Å; I1051-L1054 HydrophobicContact CG2-CG 3.91Å; I1051-F1070 HydrophobicContact CD1-CE2 4Å; I1051-F1070 HydrophobicContact CD1-CZ 4.03Å; I1051-F1070 HydrophobicContact CG1-CZ 4.15Å; I1051-L1089 HydrophobicContact CD1-CD1 4.4Å; I1051-L1089 HydrophobicContact CD1-CD2 3.8Å |
| 1052 | H | 58.6 | Low | 54.6 | Low | 47 Ų | 47 | 71.2 Ų | 71.2 | 22% | 0.218 | 36% | 0.358 | C | S | . | . | trans | -120.6 | 149.1 | 168.7 | -66.8 | -73.5 | 0 | 0 | 0 | 111.2 | I1022 H1023 | I1022-H1052 PolarHBondContact O-N 2.72Å; H1023-H1052 AromaticContact CE1-CD2 3.52Å; H1023-H1052 AromaticContact ND1-CD2 3.42Å; H1023-H1052 PolarHBondContact ND1-CD2 2.82Å; H1023-H1052 AromaticContact ND1-CG 3.76Å | ||
| 1053 | D | 55.1 | Low | 52.9 | Low | 102 Ų | 102 | 71 Ų | 71 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | trans | 45.4 | 73.6 | 169.3 | -62.1 | -62.6 | 0 | 0 | 0 | 114.3 | L1025 | L1025-D1053 PolarHBondContact N-O 2.91Å; L1025-D1053 VanDerWaalsContact N-O 3.1Å | ||
| 1054 | L | 51.7 | Low | 51.7 | Low | 49 Ų | 49 | 77 Ų | 77 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -111.4 | 110.3 | -173.7 | -141.1 | -176.3 | 0 | 0 | 0 | 109.8 | L1025 I1051 L1082 | L1025-L1054 HydrophobicContact CB-CD2 4.26Å; L1025-L1054 HydrophobicContact CB-CG 4.29Å; L1025-L1054 HydrophobicContact CD1-CD2 4.16Å; L1025-L1054 HydrophobicContact CD1-CG 4.2Å; I1051-L1054 HydrophobicContact CB-CD1 4.43Å; I1051-L1054 HydrophobicContact CD1-CD1 3.72Å; I1051-L1054 HydrophobicContact CG2-CB 4.2Å; I1051-L1054 HydrophobicContact CG2-CD1 3.76Å; I1051-L1054 HydrophobicContact CG2-CG 3.91Å; L1054-L1082 HydrophobicContact CB-CD2 4.2Å; L1054-L1082 HydrophobicContact CD1-CD2 4.4Å |
| 1055 | D | 49 | Very low | 50.9 | Low | 94 Ų | 94 | 76 Ų | 76 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 148.1 | -172.5 | -130.4 | 28.9 | 0 | 0 | 0 | 112.7 | L1025 P1027 V1057 | L1025-D1055 PolarHBondContact O-N 3.36Å; P1027-D1055 HydrophobicContact CB-CB 4.43Å; P1027-D1055 HydrophobicContact CG-CB 4.26Å; D1055-V1057 PolarHBondContact O-N 2.92Å |
| 1056 | P | 45.6 | Very low | 50.3 | Low | 72 Ų | 72 | 73.9 Ų | 73.9 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 118.8 | -165.5 | 28.3 | -34 | 0 | 0 | 0 | 114.2 | H1058 | P1056-H1058 PolarHBondContact O-N 2.98Š|
| 1057 | V | 49.5 | Very low | 50.2 | Low | 17 Ų | 17 | 72.5 Ų | 72.5 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 123.5 | -175.2 | -174.9 | 0 | 0 | 0 | 0 | 113.2 | I1028 D1055 H1059 | I1028-V1057 WeakPolarHBondContact O-CG1 3.34Å; D1055-V1057 PolarHBondContact O-N 2.92Å; V1057-H1059 WeakPolarHBondContact CG1-NE2 3.32Å; V1057-H1059 PolarHBondContact O-N 3.42Å |
| 1058 | H | 42.7 | Very low | 50.4 | Low | 153 Ų | 153 | 72.6 Ų | 72.6 | 71% | 0.708 | 36% | 0.358 | S | S | * | . | trans | -87.7 | 75.9 | 178.2 | -92.7 | -24.3 | 0 | 0 | 0 | 113.3 | P1056 R1060 | P1056-H1058 PolarHBondContact O-N 2.98Å; H1058-R1060 PolarHBondContact O-N 3.47Å | ||
| 1059 | H | 42.8 | Very low | 51.1 | Low | 66 Ų | 66 | 71.3 Ų | 71.3 | 31% | 0.306 | 35% | 0.354 | S | S | . | . | trans | -63.7 | 131 | 169.4 | -68 | -94.6 | 0 | 0 | 0 | 111.8 | H1030 V1057 | H1030-H1059 AromaticContact CD2-CE1 3.93Å; V1057-H1059 WeakPolarHBondContact CG1-NE2 3.32Å; V1057-H1059 PolarHBondContact O-N 3.42Å | ||
| 1060 | R | 39.2 | Very low | 52 | Low | 236 Ų | 236 | 68.6 Ų | 68.6 | 89% | 0.891 | 34% | 0.339 | S | S | * | . | trans | -100.8 | -7 | 179.5 | -136.7 | 176.4 | -167 | 163.4 | 6.5 | 114.7 | H1058 | H1058-R1060 PolarHBondContact O-N 3.47Š| ||
| 1061 | N | 38 | Very low | 52.7 | Low | 108 Ų | 108 | 72.5 Ų | 72.5 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -139.4 | 156.8 | -177 | -73.8 | -46.7 | 0 | 0 | 0 | 110.7 | H1063 | N1061-H1063 VanDerWaalsContact C-N 3.29Å; N1061-H1063 PolarHBondContact O-N 3.41Å |
| 1062 | N | 37.6 | Very low | 53.3 | Low | 167 Ų | 167 | 73 Ų | 73 | 89% | 0.893 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -78.7 | 47.3 | -165.4 | -67 | -15.4 | 0 | 0 | 0 | 116.1 | ||
| 1063 | H | 40.7 | Very low | 53.2 | Low | 103 Ų | 103 | 75.8 Ų | 75.8 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | trans | -129.6 | 129.3 | 173.8 | -81.7 | -79.4 | 0 | 0 | 0 | 111.1 | N1061 D1065 | N1061-H1063 VanDerWaalsContact C-N 3.29Å; N1061-H1063 PolarHBondContact O-N 3.41Å; H1063-D1065 WeakPolarHBondContact CB-OD2 3.17Å | ||
| 1064 | H | 48.9 | Very low | 53.2 | Low | 133 Ų | 133 | 75.1 Ų | 75.1 | 62% | 0.616 | 37% | 0.373 | S | S | * | . | trans | -103.8 | 94.9 | -178.8 | -77.1 | -82.5 | 0 | 0 | 0 | 108.9 | D1088 | H1064-D1088 IonicContact ND1-OD1 3.83Å; H1064-D1088 PolarHBondContact ND1-OD1 3.15Å | ||
| 1065 | D | 50.4 | Low | 53.3 | Low | 34 Ų | 34 | 75.4 Ų | 75.4 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | trans | -125.5 | 126.6 | 178.4 | -59.1 | -92.7 | 0 | 0 | 0 | 106.4 | H1035 H1063 | H1035-D1065 WeakPolarHBondContact CA-OD1 3.36Å; H1035-D1065 IonicContact CE1-OD1 3.81Å; H1035-D1065 IonicContact CG-OD1 2.71Å; H1035-D1065 IonicContact ND1-OD1 3.37Å; H1035-D1065 PolarHBondContact ND1-OD1 3.45Å; H1035-D1065 IonicContact ND1-OD2 3.38Å; H1063-D1065 WeakPolarHBondContact CB-OD2 3.17Å | ||
| 1066 | P | 56.6 | Low | 53.3 | Low | 17 Ų | 17 | 75.1 Ų | 75.1 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | trans | -85.2 | 144.4 | -157 | 34.3 | -39.5 | 0 | 0 | 0 | 113.6 | P1037 V1068 D1088 M1090 | P1037-P1066 VanDerWaalsContact CA-O 3.28Å; P1037-P1066 WeakPolarHBondContact CA-O 3.49Å; P1037-P1066 HydrophobicContact CB-CG 4.5Å; P1037-P1066 VanDerWaalsContact CB-O 3.31Å; P1037-P1066 WeakPolarHBondContact CB-O 3.42Å; P1066-V1068 VanDerWaalsContact C-N 3.27Å; P1066-V1068 PolarHBondContact O-N 2.87Å; P1066-D1088 WeakPolarHBondContact CB-O 3.47Å; P1066-M1090 HydrophobicContact CB-CB 4.41Å; P1066-M1090 HydrophobicContact CB-CG 4.25Å; P1066-M1090 HydrophobicContact CG-CB 3.87Å; P1066-M1090 HydrophobicContact CG-CG 3.64Å | ||
| 1067 | T | 61 | Low | 53.5 | Low | 11 Ų | 11 | 74.8 Ų | 74.8 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -56.4 | -41.2 | 171.7 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | L1025 I1028 I1038 V1039 | L1025-T1067 HydrophobicContact CD1-CG2 4.38Å; L1025-T1067 HydrophobicContact CD2-CG2 4.19Å; I1028-T1067 HydrophobicContact CD1-CG2 3.38Å; I1038-T1067 HydrophobicContact CD1-CG2 4.48Å; I1038-T1067 PolarHBondContact N-O 3.26Å; V1039-T1067 PolarHBondContact N-O 3.44Å |
| 1068 | V | 67.6 | Low | 53.1 | Low | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.8 | -174 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | I1022 L1025 V1039 F1041 P1066 F1070 L1089 | I1022-V1068 HydrophobicContact CD1-CG1 4.17Å; I1022-V1068 HydrophobicContact CD1-CG2 3.69Å; L1025-V1068 HydrophobicContact CD1-CG2 4.15Å; V1039-V1068 HydrophobicContact CB-CG1 4.28Å; V1039-V1068 WeakPolarHBondContact O-CA 3.24Å; F1041-V1068 HydrophobicContact CD2-CG1 3.66Å; F1041-V1068 HydrophobicContact CE2-CG1 3.69Å; P1066-V1068 VanDerWaalsContact C-N 3.27Å; P1066-V1068 PolarHBondContact O-N 2.87Å; V1068-F1070 HydrophobicContact CB-CE2 3.91Å; V1068-F1070 HydrophobicContact CB-CZ 4.38Å; V1068-F1070 HydrophobicContact CG1-CD2 4.1Å; V1068-F1070 HydrophobicContact CG1-CE1 4.27Å; V1068-F1070 HydrophobicContact CG1-CE2 3.34Å; V1068-F1070 HydrophobicContact CG1-CZ 3.45Å; V1068-F1070 VanDerWaalsContact CG1-CZ 3.45Å; V1068-L1089 HydrophobicContact CB-CD2 4.45Å |
| 1069 | S | 71.2 | Confident | 53.2 | Low | 20 Ų | 20 | 72.5 Ų | 72.5 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.6 | 169.6 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | P1037 V1039 S1040 F1041 | P1037-S1069 VanDerWaalsContact CG-OG 3.29Å; P1037-S1069 WeakPolarHBondContact CG-OG 3.48Å; V1039-S1069 PolarHBondContact O-N 3.49Å; S1040-S1069 WeakPolarHBondContact CA-OG 3.4Å; S1040-S1069 WeakPolarHBondContact CB-OG 3.33Å; S1040-S1069 PolarHBondContact OG-OG 3.2Å; F1041-S1069 PolarHBondContact N-O 2.87Å |
| 1070 | F | 71.1 | Confident | 53.1 | Low | 3 Ų | 3 | 73.4 Ų | 73.4 | 1% | 0.013 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.9 | 173.1 | -60.7 | -90.1 | 0 | 0 | 0 | 110.3 | I1021 F1041 F1047 T1050 I1051 V1068 F1075 L1089 M1090 Y1091 | I1021-F1070 HydrophobicContact CB-CE1 4.49Å; I1021-F1070 HydrophobicContact CD1-CD1 4.34Å; I1021-F1070 HydrophobicContact CD1-CE1 3.75Å; I1021-F1070 HydrophobicContact CG2-CE1 4.34Å; F1041-F1070 HydrophobicContact CB-CD1 3.64Å; F1041-F1070 HydrophobicContact CB-CE1 3.96Å; F1041-F1070 HydrophobicContact CB-CG 4.49Å; F1041-F1070 AromaticContact CD2-CD1 3.85Å; F1041-F1070 HydrophobicContact CD2-CD1 3.85Å; F1041-F1070 AromaticContact CD2-CE1 3.32Å; F1041-F1070 HydrophobicContact CD2-CE1 3.32Å; F1041-F1070 AromaticContact CD2-CZ 3.8Å; F1041-F1070 HydrophobicContact CD2-CZ 3.8Å; F1041-F1070 HydrophobicContact CE2-CE1 4.03Å; F1041-F1070 HydrophobicContact CE2-CZ 4.21Å; F1041-F1070 HydrophobicContact CG-CD1 4Å; F1041-F1070 AromaticContact CG-CE1 3.77Å; F1041-F1070 HydrophobicContact CG-CE1 3.77Å; F1041-F1070 WeakPolarHBondContact O-CA 3.4Å; F1047-F1070 AromaticContact CD1-CD1 3.95Å; F1047-F1070 HydrophobicContact CD1-CD1 3.95Å; F1047-F1070 HydrophobicContact CD2-CB 4.25Å; F1047-F1070 HydrophobicContact CD2-CD1 4.47Å; F1047-F1070 AromaticContact CE1-CD1 3.87Å; F1047-F1070 HydrophobicContact CE1-CD1 3.87Å; F1047-F1070 HydrophobicContact CE2-CB 3.9Å; F1047-F1070 HydrophobicContact CE2-CD1 4.33Å; F1047-F1070 HydrophobicContact CG-CD1 4.27Å; F1047-F1070 HydrophobicContact CZ-CB 4.25Å; F1047-F1070 HydrophobicContact CZ-CD1 4.05Å; T1050-F1070 HydrophobicContact CG2-CD1 4.15Å; T1050-F1070 HydrophobicContact CG2-CE1 3.68Å; T1050-F1070 HydrophobicContact CG2-CE2 4.12Å; T1050-F1070 HydrophobicContact CG2-CZ 3.66Å; I1051-F1070 HydrophobicContact CD1-CE2 4Å; I1051-F1070 HydrophobicContact CD1-CZ 4.03Å; I1051-F1070 HydrophobicContact CG1-CZ 4.15Å; V1068-F1070 HydrophobicContact CB-CE2 3.91Å; V1068-F1070 HydrophobicContact CB-CZ 4.38Å; V1068-F1070 HydrophobicContact CG1-CD2 4.1Å; V1068-F1070 HydrophobicContact CG1-CE1 4.27Å; V1068-F1070 HydrophobicContact CG1-CE2 3.34Å; V1068-F1070 HydrophobicContact CG1-CZ 3.45Å; V1068-F1070 VanDerWaalsContact CG1-CZ 3.45Å; F1070-F1075 HydrophobicContact CB-CE2 3.52Å; F1070-F1075 HydrophobicContact CB-CZ 3.61Å; F1070-F1075 HydrophobicContact CD1-CZ 4.25Å; F1070-F1075 HydrophobicContact CG-CE2 4.33Å; F1070-F1075 AromaticContact CG-CZ 3.91Å; F1070-F1075 HydrophobicContact CG-CZ 3.91Å; F1070-L1089 HydrophobicContact CE2-CD2 4.06Å; F1070-M1090 PolarHBondContact N-O 3.25Å; F1070-Y1091 HydrophobicContact CB-CD1 4.22Å; F1070-Y1091 HydrophobicContact CB-CE1 4.46Å |
| 1071 | K | 71.4 | Confident | 53.2 | Low | 83 Ų | 83 | 68.8 Ų | 68.8 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 96.5 | -173.4 | -168.5 | 157.5 | -177.8 | 163 | 0 | 111.1 | F1041 K1042 S1043 D1092 | F1041-K1071 PolarHBondContact O-N 3.48Å; K1042-K1071 WeakPolarHBondContact CA-O 3.35Å; K1042-K1071 HydrophobicContact CG-CB 4.4Å; S1043-K1071 PolarHBondContact N-O 3.08Å; S1043-K1071 VanDerWaalsContact N-O 3.11Å; K1071-D1092 HydrophobicContact CD-CB 4.16Å; K1071-D1092 WeakPolarHBondContact CE-OD2 3.31Å; K1071-D1092 HydrophobicContact CG-CB 4.4Å; K1071-D1092 IonicContact NZ-OD2 3.46Å; K1071-D1092 PolarHBondContact NZ-OD2 2.83Å |
| 1072 | S | 69.6 | Low | 53.2 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | trans | -141.5 | 168.1 | 176.2 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | S1043 F1047 N1074 | S1043-S1072 WeakPolarHBondContact O-CA 3.41Å; S1043-S1072 VanDerWaalsContact O-CB 3.28Å; S1043-S1072 WeakPolarHBondContact O-CB 3.22Å; F1047-S1072 VanDerWaalsContact CD2-OG 3.24Å; F1047-S1072 WeakPolarHBondContact CD2-OG 3.37Å; F1047-S1072 WeakPolarHBondContact CE2-OG 3.44Å; S1072-N1074 PolarHBondContact OG-O 3.39Å | ||
| 1073 | N | 56.6 | Low | 53.1 | Low | 107 Ų | 107 | 66 Ų | 66 | 57% | 0.572 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -68.9 | -40.1 | 172.2 | -59.5 | -45.9 | 0 | 0 | 0 | 111.2 | S1044 K1093 | S1044-N1073 PolarHBondContact O-ND2 2.96Å; N1073-K1093 WeakPolarHBondContact O-CE 3.14Å; N1073-K1093 PolarHBondContact O-NZ 3.32Å |
| 1074 | N | 55.1 | Low | 52.8 | Low | 87 Ų | 87 | 66.4 Ų | 66.4 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.6 | -173 | -68.8 | -25.5 | 0 | 0 | 0 | 112.4 | N1046 S1072 | N1046-N1074 WeakPolarHBondContact OD1-CB 3.44Å; S1072-N1074 PolarHBondContact OG-O 3.39Å |
| 1075 | F | 55 | Low | 51.9 | Low | 55 Ų | 55 | 64.4 Ų | 64.4 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130 | 176.5 | -126.1 | -79.2 | 0 | 0 | 0 | 109.2 | F1047 T1050 F1070 D1077 Y1091 | F1047-F1075 HydrophobicContact CB-CD1 4.1Å; F1047-F1075 HydrophobicContact CB-CD2 4.49Å; F1047-F1075 HydrophobicContact CB-CE1 3.65Å; F1047-F1075 HydrophobicContact CB-CE2 4.08Å; F1047-F1075 HydrophobicContact CB-CG 4.49Å; F1047-F1075 HydrophobicContact CB-CZ 3.61Å; F1047-F1075 AromaticContact CD2-CD2 3.74Å; F1047-F1075 HydrophobicContact CD2-CD2 3.74Å; F1047-F1075 HydrophobicContact CD2-CE1 4.33Å; F1047-F1075 AromaticContact CD2-CE2 3.17Å; F1047-F1075 HydrophobicContact CD2-CE2 3.17Å; F1047-F1075 AromaticContact CD2-CZ 3.5Å; F1047-F1075 HydrophobicContact CD2-CZ 3.5Å; F1047-F1075 VanDerWaalsContact CD2-CZ 3.5Å; F1047-F1075 AromaticContact CE2-CE2 3.86Å; F1047-F1075 HydrophobicContact CE2-CE2 3.86Å; F1047-F1075 HydrophobicContact CE2-CZ 4.36Å; F1047-F1075 HydrophobicContact CG-CE1 4.28Å; F1047-F1075 AromaticContact CG-CE2 3.89Å; F1047-F1075 HydrophobicContact CG-CE2 3.89Å; F1047-F1075 AromaticContact CG-CZ 3.71Å; F1047-F1075 HydrophobicContact CG-CZ 3.71Å; T1050-F1075 HydrophobicContact CG2-CE1 4.15Å; T1050-F1075 HydrophobicContact CG2-CZ 4.28Å; F1070-F1075 HydrophobicContact CB-CE2 3.52Å; F1070-F1075 HydrophobicContact CB-CZ 3.61Å; F1070-F1075 HydrophobicContact CD1-CZ 4.25Å; F1070-F1075 HydrophobicContact CG-CE2 4.33Å; F1070-F1075 AromaticContact CG-CZ 3.91Å; F1070-F1075 HydrophobicContact CG-CZ 3.91Å; F1075-D1077 HydrophobicContact CD1-CB 3.86Å; F1075-D1077 HydrophobicContact CE1-CB 4.37Å; F1075-Y1091 HydrophobicContact CD1-CE1 4.27Å; F1075-Y1091 AromaticContact CD2-CD1 3.88Å; F1075-Y1091 HydrophobicContact CD2-CD1 3.88Å; F1075-Y1091 HydrophobicContact CD2-CE1 4.18Å; F1075-Y1091 HydrophobicContact CE1-CD1 4.36Å; F1075-Y1091 AromaticContact CE1-CE1 3.7Å; F1075-Y1091 HydrophobicContact CE1-CE1 3.7Å; F1075-Y1091 AromaticContact CE2-CD1 3.41Å; F1075-Y1091 HydrophobicContact CE2-CD1 3.41Å; F1075-Y1091 VanDerWaalsContact CE2-CD1 3.41Å; F1075-Y1091 AromaticContact CE2-CE1 3.58Å; F1075-Y1091 HydrophobicContact CE2-CE1 3.58Å; F1075-Y1091 HydrophobicContact CG-CE1 4.5Å; F1075-Y1091 AromaticContact CZ-CD1 3.72Å; F1075-Y1091 HydrophobicContact CZ-CD1 3.72Å; F1075-Y1091 AromaticContact CZ-CE1 3.35Å; F1075-Y1091 HydrophobicContact CZ-CE1 3.35Å |
| 1076 | I | 49 | Very low | 51.2 | Low | 88 Ų | 88 | 69.3 Ų | 69.3 | 45% | 0.451 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 78.3 | 174.5 | -55.4 | -177.5 | 0 | 0 | 0 | 106.5 | N1046 F1047 | N1046-I1076 HydrophobicContact CB-CD1 4.09Å; N1046-I1076 HydrophobicContact CB-CG1 4.27Å; F1047-I1076 PolarHBondContact O-N 3.42Å |
| 1077 | D | 49.1 | Very low | 50.4 | Low | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.353 | 39% | 0.39 | S | S | . | . | trans | -87 | 122.6 | -164.9 | -140.6 | -1.1 | 0 | 0 | 0 | 111.7 | T1050 F1075 I1079 Y1091 | T1050-D1077 PolarHBondContact OG1-OD1 3.08Å; F1075-D1077 HydrophobicContact CD1-CB 3.86Å; F1075-D1077 HydrophobicContact CE1-CB 4.37Å; D1077-I1079 WeakPolarHBondContact OD1-CG1 3.29Å; D1077-Y1091 PolarHBondContact OD2-OH 2.99Å | ||
| 1078 | T | 41.1 | Very low | 49.7 | Very low | 58 Ų | 58 | 73.1 Ų | 73.1 | 36% | 0.356 | 40% | 0.395 | S | S | . | . | trans | -124.6 | 77.1 | 162.4 | -23.2 | 0 | 0 | 0 | 0 | 108.1 | D1049 H1080 | D1049-T1078 WeakPolarHBondContact OD1-CB 3.44Å; D1049-T1078 PolarHBondContact OD1-OG1 3.33Å; T1078-H1080 PolarHBondContact O-N 2.9Å | ||
| 1079 | I | 45.4 | Very low | 48.8 | Very low | 64 Ų | 64 | 74.9 Ų | 74.9 | 33% | 0.328 | 40% | 0.404 | S | S | . | . | trans | -68.7 | 125.1 | 172.1 | -47.9 | 179.7 | 0 | 0 | 0 | 108.2 | D1077 L1082 L1089 | D1077-I1079 WeakPolarHBondContact OD1-CG1 3.29Å; I1079-L1082 HydrophobicContact CD1-CD1 4.37Å; I1079-L1082 HydrophobicContact CG2-CD1 3.7Å; I1079-L1082 HydrophobicContact CG2-CG 3.74Å; I1079-L1089 HydrophobicContact CD1-CD1 4.12Å | ||
| 1080 | H | 40.7 | Very low | 47.6 | Very low | 85 Ų | 85 | 78.3 Ų | 78.3 | 39% | 0.394 | 42% | 0.419 | S | S | . | . | trans | -106.2 | 134 | 177.7 | -92.2 | -84.9 | 0 | 0 | 0 | 110.5 | T1078 L1082 | T1078-H1080 PolarHBondContact O-N 2.9Å; H1080-L1082 PolarHBondContact O-N 3.14Å | ||
| 1081 | D | 40.3 | Very low | 46.7 | Very low | 139 Ų | 139 | 82.4 Ų | 82.4 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | trans | 56.5 | 33.7 | 164.9 | -55.7 | -47.2 | 0 | 0 | 0 | 117.7 | D1083 | D1081-D1083 PolarHBondContact O-N 3.15Š| ||
| 1082 | L | 39.3 | Very low | 45.1 | Very low | 84 Ų | 84 | 82 Ų | 82 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | trans | -62.7 | 128.6 | 157.7 | -83.1 | 178 | 0 | 0 | 0 | 111.3 | L1054 I1079 H1080 | L1054-L1082 HydrophobicContact CB-CD2 4.2Å; L1054-L1082 HydrophobicContact CD1-CD2 4.4Å; I1079-L1082 HydrophobicContact CD1-CD1 4.37Å; I1079-L1082 HydrophobicContact CG2-CD1 3.7Å; I1079-L1082 HydrophobicContact CG2-CG 3.74Å; H1080-L1082 PolarHBondContact O-N 3.14Å | ||
| 1083 | D | 34.9 | Very low | 43.6 | Very low | 132 Ų | 132 | 87.8 Ų | 87.8 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | trans | -70.2 | 146.6 | 168.6 | -145.3 | 16.8 | 0 | 0 | 0 | 109.7 | D1081 V1085 | D1081-D1083 PolarHBondContact O-N 3.15Å; D1083-V1085 PolarHBondContact O-N 2.68Å | ||
| 1084 | P | 33.5 | Very low | 42.1 | Very low | 111 Ų | 111 | 89.4 Ų | 89.4 | 72% | 0.721 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -71.3 | 23.7 | -162.9 | -23.7 | 35.4 | 0 | 0 | 0 | 118.7 | ||
| 1085 | V | 32.1 | Very low | 40.8 | Very low | 92 Ų | 92 | 93.6 Ų | 93.6 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -129.5 | 113.7 | -170.2 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | D1083 | D1083-V1085 PolarHBondContact O-N 2.68Š|
| 1086 | H | 35.6 | Very low | 39.3 | Very low | 137 Ų | 137 | 96.1 Ų | 96.1 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | trans | 70.7 | 167.6 | -178.6 | -59.7 | -44.7 | 0 | 0 | 0 | 115.7 | ||||
| 1087 | S | 38.9 | Very low | 38.2 | Very low | 75 Ų | 75 | 97.3 Ų | 97.3 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | trans | -165.4 | 65.7 | -149.6 | 64.3 | 0 | 0 | 0 | 0 | 112 | L1089 | S1087-L1089 PolarHBondContact O-N 2.75Š| ||
| 1088 | D | 46.2 | Very low | 37 | Very low | 33 Ų | 33 | 104.1 Ų | 104.1 | 18% | 0.176 | 55% | 0.554 | C | S | . | * | trans | -103.9 | 49 | -162.6 | -56.4 | -71.3 | 0 | 0 | 0 | 112.6 | H1064 P1066 | H1064-D1088 IonicContact ND1-OD1 3.83Å; H1064-D1088 PolarHBondContact ND1-OD1 3.15Å; P1066-D1088 WeakPolarHBondContact CB-O 3.47Å | ||
| 1089 | L | 49.5 | Very low | 36.2 | Very low | 38 Ų | 38 | 105.6 Ų | 105.6 | 20% | 0.199 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.2 | 176.6 | -63.5 | 179.2 | 0 | 0 | 0 | 111.2 | I1051 V1068 F1070 I1079 S1087 Y1091 | I1051-L1089 HydrophobicContact CD1-CD1 4.4Å; I1051-L1089 HydrophobicContact CD1-CD2 3.8Å; V1068-L1089 HydrophobicContact CB-CD2 4.45Å; F1070-L1089 HydrophobicContact CE2-CD2 4.06Å; I1079-L1089 HydrophobicContact CD1-CD1 4.12Å; S1087-L1089 PolarHBondContact O-N 2.75Å; L1089-Y1091 HydrophobicContact CB-CE2 4.21Å |
| 1090 | M | 44.8 | Very low | 35.4 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 46% | 0.458 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.6 | 171.1 | -85.2 | -73.9 | -163.9 | 0 | 0 | 112 | P1066 F1070 | P1066-M1090 HydrophobicContact CB-CB 4.41Å; P1066-M1090 HydrophobicContact CB-CG 4.25Å; P1066-M1090 HydrophobicContact CG-CB 3.87Å; P1066-M1090 HydrophobicContact CG-CG 3.64Å; F1070-M1090 PolarHBondContact N-O 3.25Å |
| 1091 | Y | 51.7 | Low | 34.7 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 35% | 0.349 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.1 | 169.4 | -50.7 | -76 | 0 | 0 | 0 | 109.7 | F1070 F1075 D1077 L1089 K1093 | F1070-Y1091 HydrophobicContact CB-CD1 4.22Å; F1070-Y1091 HydrophobicContact CB-CE1 4.46Å; F1075-Y1091 HydrophobicContact CD1-CE1 4.27Å; F1075-Y1091 AromaticContact CD2-CD1 3.88Å; F1075-Y1091 HydrophobicContact CD2-CD1 3.88Å; F1075-Y1091 HydrophobicContact CD2-CE1 4.18Å; F1075-Y1091 HydrophobicContact CE1-CD1 4.36Å; F1075-Y1091 AromaticContact CE1-CE1 3.7Å; F1075-Y1091 HydrophobicContact CE1-CE1 3.7Å; F1075-Y1091 AromaticContact CE2-CD1 3.41Å; F1075-Y1091 HydrophobicContact CE2-CD1 3.41Å; F1075-Y1091 VanDerWaalsContact CE2-CD1 3.41Å; F1075-Y1091 AromaticContact CE2-CE1 3.58Å; F1075-Y1091 HydrophobicContact CE2-CE1 3.58Å; F1075-Y1091 HydrophobicContact CG-CE1 4.5Å; F1075-Y1091 AromaticContact CZ-CD1 3.72Å; F1075-Y1091 HydrophobicContact CZ-CD1 3.72Å; F1075-Y1091 AromaticContact CZ-CE1 3.35Å; F1075-Y1091 HydrophobicContact CZ-CE1 3.35Å; D1077-Y1091 PolarHBondContact OD2-OH 2.99Å; L1089-Y1091 HydrophobicContact CB-CE2 4.21Å; Y1091-K1093 PolarHBondContact O-N 3.47Å |
| 1092 | D | 38.6 | Very low | 33.9 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 40% | 0.401 | 62% | 0.619 | S | S | . | * | trans | -89.7 | 105.2 | -175.9 | -176.5 | 15.7 | 0 | 0 | 0 | 112.3 | K1071 | K1071-D1092 HydrophobicContact CD-CB 4.16Å; K1071-D1092 WeakPolarHBondContact CE-OD2 3.31Å; K1071-D1092 HydrophobicContact CG-CB 4.4Å; K1071-D1092 IonicContact NZ-OD2 3.46Å; K1071-D1092 PolarHBondContact NZ-OD2 2.83Å | ||
| 1093 | K | 37.7 | Very low | 33.3 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | trans | -112.6 | 106.3 | 173.8 | -80.1 | -158.1 | 166.9 | -159.2 | 0 | 112.5 | N1073 Y1091 H1095 | N1073-K1093 WeakPolarHBondContact O-CE 3.14Å; N1073-K1093 PolarHBondContact O-NZ 3.32Å; Y1091-K1093 PolarHBondContact O-N 3.47Å; K1093-H1095 PolarHBondContact O-N 2.88Å | ||
| 1094 | N | 26.6 | Very low | 32.9 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -66.2 | 75.8 | 162.6 | -82 | -32.8 | 0 | 0 | 0 | 111.8 | ||
| 1095 | H | 25.9 | Very low | 32.4 | Very low | 175 Ų | 175 | 125.4 Ų | 125.4 | 81% | 0.81 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -178.1 | 104.6 | 143.6 | -96.1 | -63.4 | 0 | 0 | 0 | 110.8 | K1093 | K1093-H1095 PolarHBondContact O-N 2.88Š|
| 1096 | S | 24.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 65% | 0.647 | S | S | * | * | trans | 29.8 | 96.7 | 157.4 | 59.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1097 | C | 26.6 | Very low | 31.4 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | trans | -161.6 | 86.3 | 152.9 | -104.2 | 0 | 0 | 0 | 0 | 113.3 | S1099 | C1097-S1099 PolarHBondContact O-N 3.28Š| ||
| 1098 | E | 22.8 | Very low | 30.5 | Very low | 209 Ų | 209 | 131.4 Ų | 131.4 | 98% | 0.977 | 66% | 0.664 | S | S | * | * | trans | -74.3 | 84 | 163.7 | -68.9 | 177.9 | 108.6 | 0 | 0 | 110.5 | ||||
| 1099 | S | 25.7 | Very low | 29.4 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | -158.8 | 7.6 | 173.6 | 68.1 | 0 | 0 | 0 | 0 | 117.3 | C1097 | C1097-S1099 PolarHBondContact O-N 3.28Š| ||
| 1100 | K | 26.9 | Very low | 28 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -120.8 | 31.2 | -169.3 | -71.4 | -165.3 | 174.9 | -173.4 | 0 | 116.5 | ||||
| 1101 | R | 26.6 | Very low | 27 | Very low | 220 Ų | 220 | 144.8 Ų | 144.8 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -97.1 | -17.1 | 169 | -86.9 | -175.6 | 162.8 | 116.2 | -0 | 114.7 | ||
| 1102 | D | 24.1 | Very low | 25.6 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -103.7 | 71.3 | -172.5 | -63.7 | -40.1 | 0 | 0 | 0 | 114.1 | ||||
| 1103 | S | 27.2 | Very low | 24.9 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -148.4 | 3.7 | 165.7 | 82.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1104 | Y | 24.8 | Very low | 24.5 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -97.4 | 20.1 | 179.4 | -96 | -84.5 | 0 | 0 | 0 | 114.7 | ||
| 1105 | L | 23 | Very low | 24.4 | Very low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -145.9 | 67.8 | -178.5 | -151.2 | 85.7 | 0 | 0 | 0 | 113.8 | ||
| 1106 | N | 21.7 | Very low | 24.3 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 171.8 | 151.7 | 143.1 | -104.2 | -81.2 | 0 | 0 | 0 | 115.1 | ||||
| 1107 | K | 24.8 | Very low | 24.3 | Very low | 171 Ų | 171 | 147 Ų | 147 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 63.7 | 87.5 | 149.7 | -69.4 | 169 | -174.2 | 171 | 0 | 120.3 | ||||
| 1108 | T | 21.7 | Very low | 24.1 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | S | Bend | 10.2 | 113.8 | 93.4 | -42.8 | 0 | 0 | 0 | 0 | 116.5 | |||
| 1109 | I | 21.5 | Very low | 24.1 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 63.9 | 106.1 | 163.8 | -54 | 163.2 | 0 | 0 | 0 | 117.2 | ||||
| 1110 | S | 21.9 | Very low | 24 | Very low | 116 Ų | 116 | 150 Ų | 150 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 170.5 | 163.6 | 130.8 | -79.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1111 | H | 22.2 | Very low | 23.8 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | trans | -97.8 | 146.1 | 168.6 | -75 | 38 | 0 | 0 | 0 | 111.3 | ||||
| 1112 | N | 23.9 | Very low | 23.6 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | -172.7 | 179.1 | 109.1 | -115.7 | -35.5 | 0 | 0 | 0 | 114.6 | |||||
| 1113 | I | 23.8 | Very low | 23.6 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 56% | 0.564 | 76% | 0.756 | S | S | * | * | trans | -119.4 | 144.9 | -169.2 | -65.1 | 165.8 | 0 | 0 | 0 | 111.6 | ||||
| 1114 | N | 27.6 | Very low | 23.5 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 176.7 | 122.7 | 142 | -86.7 | -28.7 | 0 | 0 | 0 | 108.8 | ||||
| 1115 | N | 25 | Very low | 23.5 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | 71.4 | 131.6 | 77.2 | -82.6 | 7.1 | 0 | 0 | 0 | 114.3 | |||||
| 1116 | V | 25.1 | Very low | 23.6 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 61% | 0.606 | 76% | 0.763 | S | S | * | * | cis | -166.7 | 151.1 | -0.6 | 97.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1117 | N | 22.7 | Very low | 23.8 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | trans | 52.4 | 154.1 | 156.2 | -59.4 | -8.2 | 0 | 0 | 0 | 121.3 | ||||
| 1118 | Y | 23.5 | Very low | 23.7 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | cis | -151.5 | 150.2 | 39.1 | -92.6 | -87.4 | 0 | 0 | 0 | 116.7 | ||||
| 1119 | N | 22 | Very low | 23.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 32.4 | 112.3 | 148.7 | -60.3 | 6.2 | 0 | 0 | 0 | 122.5 | ||||
| 1120 | T | 24.1 | Very low | 24.1 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | -149.7 | 172.1 | 124.8 | 14.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1121 | E | 22.7 | Very low | 24.2 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -79.9 | 164.4 | -165.3 | -61 | 157.3 | 119.6 | 0 | 0 | 115.5 | ||||
| 1122 | L | 23.4 | Very low | 24.2 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 65.5 | 124.9 | 153 | -82.6 | 152.7 | 0 | 0 | 0 | 120.2 | ||
| 1123 | V | 24.1 | Very low | 24.3 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 77.9 | 147.8 | 166.8 | -167.3 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1124 | S | 24.9 | Very low | 24.3 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 54.1 | 76.8 | 171 | 43.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1125 | S | 23.4 | Very low | 24.2 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -147 | 75.8 | 156.5 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1126 | N | 25.3 | Very low | 24.2 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -153.4 | 3.4 | 175.8 | -122.1 | -7.3 | 0 | 0 | 0 | 118.7 | ||
| 1127 | I | 25.9 | Very low | 24.3 | Very low | 157 Ų | 157 | 159 Ų | 159 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -112 | -24.9 | -175.9 | -68.2 | -179.8 | 0 | 0 | 0 | 113.8 | T1129 | I1127-T1129 PolarHBondContact O-N 3.19Š|
| 1128 | L | 23.7 | Very low | 24.2 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -98.4 | 32.7 | -169.7 | -139.9 | 78.1 | 0 | 0 | 0 | 116.5 | ||
| 1129 | T | 25.2 | Very low | 24.3 | Very low | 138 Ų | 138 | 157.4 Ų | 157.4 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -130.3 | 28.4 | -177.3 | -33.4 | 0 | 0 | 0 | 0 | 114.8 | I1127 | I1127-T1129 PolarHBondContact O-N 3.19Š| ||
| 1130 | S | 26.4 | Very low | 24.5 | Very low | 109 Ų | 109 | 156.4 Ų | 156.4 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -113.1 | -0 | -178.8 | -67.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1131 | Y | 23.5 | Very low | 24.5 | Very low | 226 Ų | 226 | 156.7 Ų | 156.7 | 89% | 0.886 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -135.3 | 57.1 | -175.6 | -101 | -79 | 0 | 0 | 0 | 114.2 | ||
| 1132 | R | 22.7 | Very low | 24.5 | Very low | 244 Ų | 244 | 156.6 Ų | 156.6 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 179.7 | 90.7 | 157.4 | -100.2 | 155.1 | -169.9 | -176.3 | 6.1 | 111.6 | ||
| 1133 | K | 25.4 | Very low | 24.6 | Very low | 186 Ų | 186 | 157.6 Ų | 157.6 | 81% | 0.809 | 82% | 0.821 | S | S | * | * | trans | 170 | 81.8 | 149.8 | -98.6 | 167.4 | -179.4 | 178.2 | 0 | 113 | ||||
| 1134 | T | 24.5 | Very low | 24.8 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | -148.5 | 77.1 | 160.8 | 51 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1135 | H | 24.7 | Very low | 24.8 | Very low | 183 Ų | 183 | 161.8 Ų | 161.8 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -177.6 | 104.9 | 144.2 | -104.5 | -70.1 | 0 | 0 | 0 | 110.1 | ||
| 1136 | N | 25 | Very low | 24.8 | Very low | 150 Ų | 150 | 163.9 Ų | 163.9 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | 137.6 | 91 | 161.4 | -75.7 | -12.5 | 0 | 0 | 0 | 111.2 | ||||
| 1137 | F | 26.5 | Very low | 24.9 | Very low | 199 Ų | 199 | 160.6 Ų | 160.6 | 87% | 0.873 | 82% | 0.822 | S | S | * | * | -163.2 | 158 | 99.4 | -119.9 | -91.8 | 0 | 0 | 0 | 110.9 | |||||
| 1138 | Q | 21.9 | Very low | 24.9 | Very low | 192 Ų | 192 | 160.5 Ų | 160.5 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -134.6 | 87.2 | -174 | 178.9 | -174.7 | -30.2 | 0 | 0 | 109.7 | ||||
| 1139 | S | 24.3 | Very low | 24.9 | Very low | 89 Ų | 89 | 160.6 Ų | 160.6 | 62% | 0.622 | 82% | 0.817 | S | S | * | * | trans | -168.8 | 160.7 | 176.1 | 51 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1140 | S | 27.4 | Very low | 25 | Very low | 115 Ų | 115 | 161.8 Ų | 161.8 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 64.6 | 130.5 | 175.5 | 44.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1141 | L | 22.8 | Very low | 25.1 | Very low | 151 Ų | 151 | 165.8 Ų | 165.8 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -106 | 174.3 | -179.4 | -85.8 | 71.3 | 0 | 0 | 0 | 111.4 | ||||
| 1142 | Q | 23.9 | Very low | 25.3 | Very low | 168 Ų | 168 | 162 Ų | 162 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 92.4 | 135.5 | 141.1 | -93.2 | 158.9 | -60.6 | 0 | 0 | 119.7 | ||||
| 1143 | Q | 25.9 | Very low | 25.5 | Very low | 178 Ų | 178 | 158.5 Ų | 158.5 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 66.2 | 124.2 | 174.7 | -67.6 | 161.5 | -22.9 | 0 | 0 | 114.3 | ||||
| 1144 | D | 28.4 | Very low | 25.7 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | cis | -128.1 | 165.4 | 5.6 | -82.1 | -43.4 | 0 | 0 | 0 | 113.6 | ||||
| 1145 | Q | 23.9 | Very low | 26.1 | Very low | 175 Ų | 175 | 157 Ų | 157 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -111.3 | 161.4 | 176.5 | -70.1 | -175.3 | -40.3 | 0 | 0 | 112 | ||||
| 1146 | N | 24.4 | Very low | 26.4 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 83.5 | 45.6 | 162.9 | -51.7 | -35.1 | 0 | 0 | 0 | 118.7 | ||||
| 1147 | A | 25.9 | Very low | 26.6 | Very low | 90 Ų | 90 | 159.6 Ų | 159.6 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -140.8 | 154.2 | 140 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1148 | I | 26.1 | Very low | 26.8 | Very low | 155 Ų | 155 | 156.1 Ų | 156.1 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | trans | 64.2 | 71.6 | -179.8 | -41.1 | 174 | 0 | 0 | 0 | 114.1 | ||||
| 1149 | H | 24.1 | Very low | 27.1 | Very low | 177 Ų | 177 | 158 Ų | 158 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -125.6 | 46.9 | 168.8 | -164.7 | -67.3 | 0 | 0 | 0 | 112.3 | ||||
| 1150 | D | 26.7 | Very low | 27.4 | Very low | 162 Ų | 162 | 160.8 Ų | 160.8 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -158.7 | 21.1 | 176.4 | -132.6 | -4.2 | 0 | 0 | 0 | 117.8 | ||
| 1151 | K | 28.6 | Very low | 27.5 | Very low | 193 Ų | 193 | 160 Ų | 160 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -138.3 | 1.8 | -175.2 | -109.7 | -179.4 | -177.1 | 178.7 | 0 | 119.1 | ||
| 1152 | L | 28.6 | Very low | 27.8 | Very low | 147 Ų | 147 | 156.4 Ų | 156.4 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -124.2 | -0.7 | -176.5 | -87 | 165.2 | 0 | 0 | 0 | 116 | S1154 | L1152-S1154 PolarHBondContact O-N 2.8Š|
| 1153 | L | 27.2 | Very low | 27.9 | Very low | 171 Ų | 171 | 155 Ų | 155 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -90.3 | 5.6 | -170 | -138.2 | 78.4 | 0 | 0 | 0 | 116.4 | ||
| 1154 | S | 29.9 | Very low | 28 | Very low | 115 Ų | 115 | 152.5 Ų | 152.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -120.5 | -4.4 | -170.8 | 62.7 | 0 | 0 | 0 | 0 | 116.9 | L1152 | L1152-S1154 PolarHBondContact O-N 2.8Š|
| 1155 | K | 32.3 | Very low | 28 | Very low | 173 Ų | 173 | 152 Ų | 152 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -108.5 | -12.4 | -172.2 | -121.1 | -176.9 | -179.4 | -174.6 | 0 | 116.8 | ||
| 1156 | Y | 30.2 | Very low | 28.2 | Very low | 191 Ų | 191 | 151.5 Ų | 151.5 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -117.5 | -11.7 | -172 | -85.4 | -77.3 | 0 | 0 | 0 | 116.6 | L1158 | Y1156-L1158 VanDerWaalsContact C-N 3.27Å; Y1156-L1158 PolarHBondContact O-N 3.08Å; Y1156-L1158 VanDerWaalsContact O-N 3.16Å |
| 1157 | F | 29.1 | Very low | 28.4 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 8.8 | -170.8 | -138.6 | -92.9 | 0 | 0 | 0 | 115.8 | ||
| 1158 | L | 30.1 | Very low | 28.6 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 11.2 | -171.6 | -143.4 | 81.1 | 0 | 0 | 0 | 115.8 | Y1156 | Y1156-L1158 VanDerWaalsContact C-N 3.27Å; Y1156-L1158 PolarHBondContact O-N 3.08Å; Y1156-L1158 VanDerWaalsContact O-N 3.16Å |
| 1159 | R | 29.8 | Very low | 28.8 | Very low | 233 Ų | 233 | 153.1 Ų | 153.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -116.6 | -3.7 | -175.9 | -108 | -177.2 | 177.7 | -172 | -2.2 | 116.7 | ||
| 1160 | I | 30.5 | Very low | 29.1 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -106.5 | -20.6 | -176.8 | -67.8 | 176.4 | 0 | 0 | 0 | 112.8 | V1162 | I1160-V1162 PolarHBondContact O-N 3.35Š|
| 1161 | T | 29.1 | Very low | 29 | Very low | 98 Ų | 98 | 159.6 Ų | 159.6 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 2.1 | -167.5 | -23.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1162 | V | 28.2 | Very low | 29 | Very low | 76 Ų | 76 | 158 Ų | 158 | 46% | 0.461 | 78% | 0.782 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.6 | 22.7 | -166 | -155.4 | 0 | 0 | 0 | 0 | 114 | I1160 | I1160-V1162 PolarHBondContact O-N 3.35Š|
| 1163 | K | 26.8 | Very low | 29.1 | Very low | 137 Ų | 137 | 158.5 Ų | 158.5 | 60% | 0.596 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -133.5 | 12.4 | 178.6 | -70.7 | -168.7 | 178.4 | -173.8 | 0 | 116.2 | V330 L331 | V330-K1163 WeakPolarHBondContact O-CE 3.4Å; V330-K1163 PolarHBondContact O-NZ 3.28Å; V330-K1163 VanDerWaalsContact O-NZ 3.09Å; L331-K1163 HydrophobicContact CD1-CD 4.03Å; L331-K1163 VanDerWaalsContact CD1-NZ 3.27Å; L331-K1163 VanDerWaalsContact CG-NZ 3.34Å |
| 1164 | V | 28.9 | Very low | 29.2 | Very low | 127 Ų | 127 | 157.8 Ų | 157.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -122.5 | -10.9 | -175.3 | -176 | 0 | 0 | 0 | 0 | 113.4 | N1166 | V1164-N1166 PolarHBondContact O-N 3.04Š|
| 1165 | I | 27.9 | Very low | 29.1 | Very low | 145 Ų | 145 | 160.4 Ų | 160.4 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 62.4 | -170.8 | -43.5 | 179.5 | 0 | 0 | 0 | 111.5 | ||
| 1166 | N | 27.1 | Very low | 28.9 | Very low | 164 Ų | 164 | 159.6 Ų | 159.6 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.2 | 11.9 | 163.2 | -114.6 | -16.9 | 0 | 0 | 0 | 117.3 | V1164 | V1164-N1166 PolarHBondContact O-N 3.04Š|
| 1167 | I | 28.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -133.6 | 88 | 171.3 | -52.6 | 179.6 | 0 | 0 | 0 | 110.3 | ||||
| 1168 | L | 30.8 | Very low | 28.8 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -162.9 | 118.6 | 158.8 | -110 | 179.6 | 0 | 0 | 0 | 110.6 | ||||
| 1169 | P | 30.4 | Very low | 28.7 | Very low | 110 Ų | 110 | 157 Ų | 157 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -89.8 | 127.9 | 170.4 | 32.8 | -30.3 | 0 | 0 | 0 | 111.8 | ||||
| 1170 | K | 29.6 | Very low | 28.6 | Very low | 191 Ų | 191 | 150.7 Ų | 150.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | 50.1 | 95.6 | 160.3 | -62 | -178.9 | 178.4 | 178.5 | 0 | 117.8 | ||||
| 1171 | K | 26 | Very low | 28.5 | Very low | 285 Ų | 285 | 151 Ų | 151 | 100% | 1.239 | 78% | 0.776 | S | S | * | * | -151.3 | 0 | 124.1 | -127.9 | 179 | -177.1 | -178.6 | 0 | 111.8 |
Retrieved 1,171 of 1,171 residues in 1780.7 ms
(Link to these results)