| 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 | 46.4 | Very low | 58.1 | Low | 234 Ų | 234 | 181.7 Ų | 181.7 | 100% | 1.153 | 86% | 0.861 | S | S | * | * | 0 | 117.5 | 0 | -65.2 | -61.2 | -179.5 | 0 | 0 | 107.8 | |||||
| 2 | P | 49.5 | Very low | 57.6 | Low | 130 Ų | 130 | 180.2 Ų | 180.2 | 84% | 0.844 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 137.9 | -177.2 | 31.2 | -31.3 | 0 | 0 | 0 | 110.6 | ||
| 3 | S | 55.7 | Low | 56.4 | Low | 115 Ų | 115 | 171.8 Ų | 171.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 128.3 | 177.3 | 48.2 | 0 | 0 | 0 | 0 | 111 | K5 | S3-K5 PolarHBondContact O-N 2.84Š|
| 4 | G | 62 | Low | 55.8 | Low | 71 Ų | 71 | 168.6 Ų | 168.6 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 129.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 5 | K | 66.8 | Low | 55.2 | Low | 179 Ų | 179 | 161.5 Ų | 161.5 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 127 | 173.1 | -65.8 | 176.6 | -179.1 | 177.6 | 0 | 109.3 | S3 F7 | S3-K5 PolarHBondContact O-N 2.84Å; K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 WeakPolarHBondContact O-CD2 3.46Å |
| 6 | N | 64.6 | Low | 55.1 | Low | 157 Ų | 157 | 159.1 Ų | 159.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 116.7 | 176.7 | -69.3 | -23.4 | 0 | 0 | 0 | 110.6 | ||
| 7 | F | 57 | Low | 55 | Low | 195 Ų | 195 | 160.1 Ų | 160.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -90.1 | 11.9 | -175.3 | -77 | -79.2 | 0 | 0 | 0 | 115.6 | K5 | K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 WeakPolarHBondContact O-CD2 3.46Å | ||
| 8 | R | 63.5 | Low | 54.9 | Low | 244 Ų | 244 | 158.9 Ų | 158.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -108.7 | 94.9 | 176.6 | -70.1 | -175.6 | -178.3 | -178.7 | 0.5 | 110.1 | ||||
| 9 | R | 61.6 | Low | 55 | Low | 244 Ų | 244 | 156.7 Ų | 156.7 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 125.8 | 159.3 | -72.2 | -175.8 | 92.5 | 118.5 | -2 | 108 | R11 | R9-R11 PolarHBondContact O-N 3.35Š|
| 10 | R | 55.5 | Low | 55.3 | Low | 210 Ų | 210 | 154 Ų | 154 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.2 | 166.2 | -163.2 | 178.2 | 95 | 103.7 | 1.9 | 107.2 | E12 | R10-E12 IonicContact CZ-OE1 2.73Å; R10-E12 IonicContact NH2-OE1 3.8Å; R10-E12 PolarHBondContact NH2-OE1 3.18Å |
| 11 | R | 56.2 | Low | 55.7 | Low | 220 Ų | 220 | 153 Ų | 153 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 125.8 | 173.8 | -155.2 | 178.2 | -169.7 | 172.4 | 0.1 | 107.1 | R9 | R9-R11 PolarHBondContact O-N 3.35Š|
| 12 | E | 52.6 | Low | 56.7 | Low | 163 Ų | 163 | 146.7 Ų | 146.7 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | -97.4 | 105.3 | 167.9 | -136.9 | 125.6 | -121.7 | 0 | 0 | 105.4 | R10 | R10-E12 IonicContact CZ-OE1 2.73Å; R10-E12 IonicContact NH2-OE1 3.8Å; R10-E12 PolarHBondContact NH2-OE1 3.18Å | ||
| 13 | S | 41.6 | Very low | 58.1 | Low | 72 Ų | 72 | 143.2 Ų | 143.2 | 50% | 0.503 | 70% | 0.703 | S | S | . | * | trans | -152.4 | 104.9 | 167.9 | 61.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 14 | S | 48.3 | Very low | 59.3 | Low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 69% | 0.687 | S | S | * | * | 62.4 | 73.4 | 80.5 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 15 | S | 46.2 | Very low | 60.4 | Low | 63 Ų | 63 | 141.9 Ų | 141.9 | 44% | 0.441 | 68% | 0.675 | S | S | . | * | trans | -170.3 | 74 | 150 | -158.5 | 0 | 0 | 0 | 0 | 107.8 | E17 | S15-E17 PolarHBondContact O-N 3.08Š| ||
| 16 | D | 53.7 | Low | 61.4 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 66% | 0.658 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.5 | -24.8 | -170.2 | -93.4 | -20.1 | 0 | 0 | 0 | 113.5 | D20 | D16-D20 WeakPolarHBondContact O-CB 3.41Å; D16-D20 VanDerWaalsContact O-CG 3.24Å; D16-D20 PolarHBondContact O-N 3.46Å |
| 17 | E | 54.5 | Low | 62.6 | Low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -81.9 | -34.8 | -172.3 | -69 | 180 | -179.9 | 0 | 0 | 113.7 | S15 | S15-E17 PolarHBondContact O-N 3.08Å |
| 18 | E | 53.5 | Low | 64.2 | Low | 139 Ų | 139 | 130.8 Ų | 130.8 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -84.7 | -29.5 | 177.9 | -69 | -174.4 | 177.6 | 0 | 0 | 112.9 | I22 | E18-I22 WeakPolarHBondContact O-CD1 3.27Å; E18-I22 VanDerWaalsContact O-CG1 3.27Å; E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 2.91Å |
| 19 | E | 56.1 | Low | 65.7 | Low | 116 Ų | 116 | 125.1 Ų | 125.1 | 54% | 0.542 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.1 | -36 | 174.4 | -82.8 | -171 | 169.4 | 0 | 0 | 111.6 | E21 I22 T23 | E19-E21 PolarHBondContact O-N 3.5Å; E19-I22 PolarHBondContact O-N 3.48Å; E19-T23 WeakPolarHBondContact O-CB 3.24Å; E19-T23 WeakPolarHBondContact O-CG2 3.2Å; E19-T23 PolarHBondContact O-N 3.44Å; E19-T23 PolarHBondContact O-OG1 2.58Å |
| 20 | D | 60.3 | Low | 67.2 | Low | 102 Ų | 102 | 118.1 Ų | 118.1 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | 179.3 | -82 | -21 | 0 | 0 | 0 | 112.4 | D16 T23 A24 | D16-D20 WeakPolarHBondContact O-CB 3.41Å; D16-D20 VanDerWaalsContact O-CG 3.24Å; D16-D20 PolarHBondContact O-N 3.46Å; D20-T23 PolarHBondContact O-N 3.46Å; D20-T23 PolarHBondContact O-OG1 2.94Å; D20-A24 WeakPolarHBondContact O-CB 3.4Å; D20-A24 PolarHBondContact O-N 2.7Å |
| 21 | E | 64.1 | Low | 68.9 | Low | 135 Ų | 135 | 111.8 Ų | 111.8 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -43.1 | 177.3 | -164.5 | 165.5 | -154.1 | 0 | 0 | 111.6 | E19 T23 A24 E25 | E19-E21 PolarHBondContact O-N 3.5Å; E21-T23 VanDerWaalsContact C-N 3.31Å; E21-T23 PolarHBondContact O-N 2.91Å; E21-A24 PolarHBondContact O-N 3.05Å; E21-E25 PolarHBondContact O-N 2.75Å |
| 22 | I | 68.6 | Low | 70.7 | Confident | 101 Ų | 101 | 106.7 Ų | 106.7 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -39.5 | 174.6 | -63.5 | 165.5 | 0 | 0 | 0 | 110.7 | E18 E19 V26 | E18-I22 WeakPolarHBondContact O-CD1 3.27Å; E18-I22 VanDerWaalsContact O-CG1 3.27Å; E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 2.91Å; E19-I22 PolarHBondContact O-N 3.48Å; I22-V26 HydrophobicContact CG2-CG2 4.48Å; I22-V26 WeakPolarHBondContact O-CB 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.08Å |
| 23 | T | 78.3 | Confident | 72.6 | Confident | 56 Ų | 56 | 101.3 Ų | 101.3 | 34% | 0.344 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.2 | -33.3 | 178.3 | 71.3 | 0 | 0 | 0 | 0 | 112.4 | E19 D20 E21 R27 | E19-T23 WeakPolarHBondContact O-CB 3.24Å; E19-T23 WeakPolarHBondContact O-CG2 3.2Å; E19-T23 PolarHBondContact O-N 3.44Å; E19-T23 PolarHBondContact O-OG1 2.58Å; D20-T23 PolarHBondContact O-N 3.46Å; D20-T23 PolarHBondContact O-OG1 2.94Å; E21-T23 VanDerWaalsContact C-N 3.31Å; E21-T23 PolarHBondContact O-N 2.91Å; T23-R27 WeakPolarHBondContact O-CB 3.46Å; T23-R27 VanDerWaalsContact O-CG 3.24Å; T23-R27 WeakPolarHBondContact O-CG 3.29Å; T23-R27 PolarHBondContact O-N 2.66Å |
| 24 | A | 80.9 | Confident | 75.1 | Confident | 55 Ų | 55 | 103.5 Ų | 103.5 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D20 E21 V26 R27 S28 | D20-A24 WeakPolarHBondContact O-CB 3.4Å; D20-A24 PolarHBondContact O-N 2.7Å; E21-A24 PolarHBondContact O-N 3.05Å; A24-V26 VanDerWaalsContact C-N 3.35Å; A24-V26 PolarHBondContact O-N 2.7Å; A24-R27 PolarHBondContact O-N 3.08Å; A24-S28 PolarHBondContact O-N 3.18Å |
| 25 | E | 84.6 | Confident | 77.3 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.4 | -73.5 | -170.9 | -175.2 | 0 | 0 | 112.5 | E21 R27 S28 K29 | E21-E25 PolarHBondContact O-N 2.75Å; E25-R27 VanDerWaalsContact C-N 3.34Å; E25-S28 PolarHBondContact O-N 3.16Å; E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 3.35Å; E25-K29 IonicContact OE2-NZ 2.7Å |
| 26 | V | 88.2 | Confident | 79.5 | Confident | 72 Ų | 72 | 105.4 Ų | 105.4 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 177.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | I22 A24 L30 | I22-V26 HydrophobicContact CG2-CG2 4.48Å; I22-V26 WeakPolarHBondContact O-CB 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.08Å; A24-V26 VanDerWaalsContact C-N 3.35Å; A24-V26 PolarHBondContact O-N 2.7Å; V26-L30 HydrophobicContact CG1-CD1 4.32Å; V26-L30 WeakPolarHBondContact O-CB 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.16Å |
| 27 | R | 90.3 | Very high | 81.3 | Confident | 167 Ų | 167 | 105.2 Ų | 105.2 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 174 | -76.4 | 170.9 | -177.2 | 169.5 | 6 | 111.7 | T23 A24 E25 K29 L30 D31 | T23-R27 WeakPolarHBondContact O-CB 3.46Å; T23-R27 VanDerWaalsContact O-CG 3.24Å; T23-R27 WeakPolarHBondContact O-CG 3.29Å; T23-R27 PolarHBondContact O-N 2.66Å; A24-R27 PolarHBondContact O-N 3.08Å; E25-R27 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.42Å; R27-L30 WeakPolarHBondContact O-CB 3.35Å; R27-L30 PolarHBondContact O-N 3.08Å; R27-L30 VanDerWaalsContact O-N 3.16Å; R27-D31 VanDerWaalsContact O-CG 3.3Å; R27-D31 PolarHBondContact O-N 2.77Å |
| 28 | S | 90.6 | Very high | 82.9 | Confident | 58 Ų | 58 | 99.9 Ų | 99.9 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -49 | 175.9 | 165.7 | 0 | 0 | 0 | 0 | 111.8 | A24 E25 L30 D31 E32 | A24-S28 PolarHBondContact O-N 3.18Å; E25-S28 PolarHBondContact O-N 3.16Å; S28-L30 VanDerWaalsContact C-N 3.29Å; S28-L30 PolarHBondContact O-N 3.21Å; S28-D31 PolarHBondContact O-N 2.89Å; S28-D31 VanDerWaalsContact O-N 3.13Å; S28-E32 WeakPolarHBondContact O-CG 3.27Å; S28-E32 PolarHBondContact O-N 3.27Å |
| 29 | K | 93.5 | Very high | 84.6 | Confident | 126 Ų | 126 | 100 Ų | 100 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -35.4 | 176.2 | -71.6 | 170.1 | -176.4 | 158.3 | 0 | 112.8 | E25 R27 A33 | E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 3.35Å; E25-K29 IonicContact OE2-NZ 2.7Å; R27-K29 PolarHBondContact O-N 3.42Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.48Å; K29-A33 VanDerWaalsContact O-N 3.07Å |
| 30 | L | 93.9 | Very high | 86.2 | Confident | 97 Ų | 97 | 104.2 Ų | 104.2 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 174.9 | -80.2 | 176.9 | 0 | 0 | 0 | 112.4 | V26 R27 S28 A33 K34 | V26-L30 HydrophobicContact CG1-CD1 4.32Å; V26-L30 WeakPolarHBondContact O-CB 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.16Å; R27-L30 WeakPolarHBondContact O-CB 3.35Å; R27-L30 PolarHBondContact O-N 3.08Å; R27-L30 VanDerWaalsContact O-N 3.16Å; S28-L30 VanDerWaalsContact C-N 3.29Å; S28-L30 PolarHBondContact O-N 3.21Å; L30-A33 PolarHBondContact O-N 3.37Å; L30-K34 VanDerWaalsContact O-CG 3.31Å; L30-K34 WeakPolarHBondContact O-CG 3.31Å; L30-K34 PolarHBondContact O-N 2.87Å |
| 31 | D | 91.9 | Very high | 87.6 | Confident | 76 Ų | 76 | 106.4 Ų | 106.4 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.8 | -41.3 | 179 | -68.2 | -22.9 | 0 | 0 | 0 | 111 | R27 S28 A33 K34 E35 | R27-D31 VanDerWaalsContact O-CG 3.3Å; R27-D31 PolarHBondContact O-N 2.77Å; S28-D31 PolarHBondContact O-N 2.89Å; S28-D31 VanDerWaalsContact O-N 3.13Å; D31-A33 VanDerWaalsContact C-N 3.3Å; D31-A33 PolarHBondContact O-N 3.48Å; D31-K34 WeakPolarHBondContact O-CB 3.13Å; D31-K34 PolarHBondContact O-N 3.31Å; D31-K34 VanDerWaalsContact O-N 3.14Å; D31-K34 IonicContact OD1-NZ 2.58Å; D31-K34 PolarHBondContact OD1-NZ 2.86Å; D31-E35 WeakPolarHBondContact O-CG 3.39Å; D31-E35 PolarHBondContact O-N 2.9Å |
| 32 | E | 93.7 | Very high | 88.5 | Confident | 113 Ų | 113 | 111 Ų | 111 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -55.7 | -43.5 | 168.6 | -71.7 | 176.4 | -172.5 | 0 | 0 | 112 | S28 E35 L36 | S28-E32 WeakPolarHBondContact O-CG 3.27Å; S28-E32 PolarHBondContact O-N 3.27Å; E32-E35 PolarHBondContact O-N 2.73Å; E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.46Å |
| 33 | A | 92.7 | Very high | 89 | Confident | 51 Ų | 51 | 115.6 Ų | 115.6 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K29 L30 D31 L36 Q37 | K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 3.48Å; K29-A33 VanDerWaalsContact O-N 3.07Å; L30-A33 PolarHBondContact O-N 3.37Å; D31-A33 VanDerWaalsContact C-N 3.3Å; D31-A33 PolarHBondContact O-N 3.48Å; A33-L36 PolarHBondContact O-N 3.1Å; A33-Q37 WeakPolarHBondContact O-CB 3.37Å; A33-Q37 PolarHBondContact O-N 3.45Å |
| 34 | K | 94.5 | Very high | 89.1 | Confident | 118 Ų | 118 | 118.5 Ų | 118.5 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.6 | -37 | 174.3 | -74.4 | 172 | -161.8 | 153.8 | 0 | 111.7 | L30 D31 Q37 S38 | L30-K34 VanDerWaalsContact O-CG 3.31Å; L30-K34 WeakPolarHBondContact O-CG 3.31Å; L30-K34 PolarHBondContact O-N 2.87Å; D31-K34 WeakPolarHBondContact O-CB 3.13Å; D31-K34 PolarHBondContact O-N 3.31Å; D31-K34 VanDerWaalsContact O-N 3.14Å; D31-K34 IonicContact OD1-NZ 2.58Å; D31-K34 PolarHBondContact OD1-NZ 2.86Å; K34-Q37 WeakPolarHBondContact O-CB 3.27Å; K34-Q37 PolarHBondContact O-N 3.44Å; K34-S38 WeakPolarHBondContact O-CB 3.43Å; K34-S38 PolarHBondContact O-N 2.97Å |
| 35 | E | 92.8 | Very high | 89 | Confident | 128 Ų | 128 | 118.9 Ų | 118.9 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -44.9 | 174.6 | -73.4 | -177.4 | 178.4 | 0 | 0 | 111.6 | D31 E32 Q37 S38 L39 | D31-E35 WeakPolarHBondContact O-CG 3.39Å; D31-E35 PolarHBondContact O-N 2.9Å; E32-E35 PolarHBondContact O-N 2.73Å; E35-Q37 PolarHBondContact O-N 3.42Å; E35-S38 PolarHBondContact O-N 2.86Å; E35-S38 VanDerWaalsContact O-N 3.08Å; E35-S38 PolarHBondContact O-OG 3.46Å; E35-L39 WeakPolarHBondContact O-CG 3.31Å; E35-L39 PolarHBondContact O-N 2.96Å |
| 36 | L | 92.4 | Very high | 88.7 | Confident | 100 Ų | 100 | 118.6 Ų | 118.6 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.7 | -35.3 | 172.8 | -71.6 | 175.9 | 0 | 0 | 0 | 112.2 | E32 A33 R40 | E32-L36 WeakPolarHBondContact O-CG 3.44Å; E32-L36 PolarHBondContact O-N 3.46Å; A33-L36 PolarHBondContact O-N 3.1Å; L36-R40 VanDerWaalsContact O-CG 3.31Å; L36-R40 WeakPolarHBondContact O-CG 3.15Å; L36-R40 PolarHBondContact O-N 2.75Å |
| 37 | Q | 91.4 | Very high | 88.3 | Confident | 120 Ų | 120 | 117.7 Ų | 117.7 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.7 | -39.8 | 173.9 | -168.7 | -176.7 | 23.9 | 0 | 0 | 111.7 | A33 K34 E35 R40 K41 | A33-Q37 WeakPolarHBondContact O-CB 3.37Å; A33-Q37 PolarHBondContact O-N 3.45Å; K34-Q37 WeakPolarHBondContact O-CB 3.27Å; K34-Q37 PolarHBondContact O-N 3.44Å; E35-Q37 PolarHBondContact O-N 3.42Å; Q37-R40 PolarHBondContact O-N 3.39Å; Q37-K41 WeakPolarHBondContact O-CG 3.46Å; Q37-K41 PolarHBondContact O-N 2.94Å |
| 38 | S | 89.9 | Confident | 87.5 | Confident | 63 Ų | 63 | 115.1 Ų | 115.1 | 44% | 0.441 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.1 | -40.4 | 178.5 | 81.9 | 0 | 0 | 0 | 0 | 111.5 | K34 E35 R40 K41 | K34-S38 WeakPolarHBondContact O-CB 3.43Å; K34-S38 PolarHBondContact O-N 2.97Å; E35-S38 PolarHBondContact O-N 2.86Å; E35-S38 VanDerWaalsContact O-N 3.08Å; E35-S38 PolarHBondContact O-OG 3.46Å; S38-R40 VanDerWaalsContact C-N 3.27Å; S38-R40 PolarHBondContact O-N 3.15Å; S38-K41 WeakPolarHBondContact O-CB 3.3Å; S38-K41 PolarHBondContact O-N 2.88Å |
| 39 | L | 87.8 | Confident | 86.8 | Confident | 142 Ų | 142 | 114.4 Ų | 114.4 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.1 | -28.5 | 175.2 | -68.7 | 172.5 | 0 | 0 | 0 | 113.2 | E35 | E35-L39 WeakPolarHBondContact O-CG 3.31Å; E35-L39 PolarHBondContact O-N 2.96Å |
| 40 | R | 90.9 | Very high | 86.2 | Confident | 204 Ų | 204 | 108.8 Ų | 108.8 | 77% | 0.77 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -80 | -17 | 174.1 | -70.4 | 174.3 | -169.3 | -177 | 4.7 | 113.1 | L36 Q37 S38 R42 | L36-R40 VanDerWaalsContact O-CG 3.31Å; L36-R40 WeakPolarHBondContact O-CG 3.15Å; L36-R40 PolarHBondContact O-N 2.75Å; Q37-R40 PolarHBondContact O-N 3.39Å; S38-R40 VanDerWaalsContact C-N 3.27Å; S38-R40 PolarHBondContact O-N 3.15Å; R40-R42 PolarHBondContact O-N 2.94Å |
| 41 | K | 87.9 | Confident | 85.4 | Confident | 148 Ų | 148 | 110 Ų | 110 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -67 | 123.7 | 175.3 | -69.5 | 176.9 | -177.2 | 178.8 | 0 | 108 | Q37 S38 | Q37-K41 WeakPolarHBondContact O-CG 3.46Å; Q37-K41 PolarHBondContact O-N 2.94Å; S38-K41 WeakPolarHBondContact O-CB 3.3Å; S38-K41 PolarHBondContact O-N 2.88Å |
| 42 | R | 84.2 | Confident | 84.7 | Confident | 232 Ų | 232 | 113.3 Ų | 113.3 | 88% | 0.875 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 137.7 | 173.8 | -64.2 | -177.7 | 177.7 | -173.1 | -1 | 108.6 | R40 T44 | R40-R42 PolarHBondContact O-N 2.94Å; R42-T44 PolarHBondContact O-N 3.28Å; R42-T44 VanDerWaalsContact O-N 3.16Å |
| 43 | Q | 79.4 | Confident | 84.2 | Confident | 197 Ų | 197 | 113.9 Ų | 113.9 | 92% | 0.921 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 120.4 | 170.7 | 58.6 | -177.3 | -11.2 | 0 | 0 | 109.5 | ||
| 44 | T | 78.9 | Confident | 83.2 | Confident | 117 Ų | 117 | 114.9 Ų | 114.9 | 72% | 0.718 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 123 | 169.6 | 50.4 | 0 | 0 | 0 | 0 | 107.4 | R42 | R42-T44 PolarHBondContact O-N 3.28Å; R42-T44 VanDerWaalsContact O-N 3.16Å |
| 45 | G | 80.3 | Confident | 82.3 | Confident | 63 Ų | 63 | 116 Ų | 116 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 46 | V | 77.6 | Confident | 81 | Confident | 98 Ų | 98 | 119.5 Ų | 119.5 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 134 | 173.8 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | A50 L51 | V46-A50 HydrophobicContact CG1-CB 3.7Å; V46-L51 HydrophobicContact CB-CD2 4.19Å; V46-L51 HydrophobicContact CB-CG 4.14Å; V46-L51 HydrophobicContact CG1-CD2 3.94Å; V46-L51 HydrophobicContact CG1-CG 3.79Å |
| 47 | S | 79 | Confident | 79.5 | Confident | 54 Ų | 54 | 117.6 Ų | 117.6 | 38% | 0.378 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 153.2 | 177.1 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | A49 A50 L51 | S47-A49 PolarHBondContact O-N 3.37Å; S47-A50 PolarHBondContact O-N 3.26Å; S47-A50 VanDerWaalsContact O-N 3.16Å; S47-A50 WeakPolarHBondContact OG-CB 3.31Å; S47-A50 PolarHBondContact OG-N 3.42Å; S47-L51 PolarHBondContact O-N 2.9Å |
| 48 | V | 75.4 | Confident | 78 | Confident | 112 Ų | 112 | 121.7 Ų | 121.7 | 68% | 0.679 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58.7 | -35.7 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | L51 L52 | V48-L51 PolarHBondContact O-N 3.39Å; V48-L52 HydrophobicContact CG1-CD1 4.14Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.41Å; V48-L52 VanDerWaalsContact O-N 3.11Å |
| 49 | A | 75.9 | Confident | 76.4 | Confident | 44 Ų | 44 | 125.4 Ų | 125.4 | 36% | 0.364 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.5 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S47 L51 L52 E53 L57 | S47-A49 PolarHBondContact O-N 3.37Å; A49-L51 PolarHBondContact O-N 3.3Å; A49-L52 WeakPolarHBondContact O-CB 3.39Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-L52 VanDerWaalsContact O-N 3.07Å; A49-E53 PolarHBondContact O-N 3.22Å; A49-L57 HydrophobicContact CB-CD1 4.02Å |
| 50 | A | 78.9 | Confident | 74.7 | Confident | 8 Ų | 8 | 126 Ų | 126 | 7% | 0.066 | 65% | 0.647 | C | S | . | * | H | α-helix | trans | -65.6 | -27.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V46 S47 G54 E55 L57 | V46-A50 HydrophobicContact CG1-CB 3.7Å; S47-A50 PolarHBondContact O-N 3.26Å; S47-A50 VanDerWaalsContact O-N 3.16Å; S47-A50 WeakPolarHBondContact OG-CB 3.31Å; S47-A50 PolarHBondContact OG-N 3.42Å; A50-G54 WeakPolarHBondContact O-CA 3.4Å; A50-G54 PolarHBondContact O-N 2.91Å; A50-E55 WeakPolarHBondContact CB-O 3.48Å; A50-L57 HydrophobicContact CB-CB 4.42Å; A50-L57 HydrophobicContact CB-CG 4.46Å |
| 51 | L | 77.7 | Confident | 72.9 | Confident | 122 Ų | 122 | 123.2 Ų | 123.2 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72 | -34 | 172 | -73.9 | 171.9 | 0 | 0 | 0 | 112.9 | V46 S47 V48 A49 | V46-L51 HydrophobicContact CB-CD2 4.19Å; V46-L51 HydrophobicContact CB-CG 4.14Å; V46-L51 HydrophobicContact CG1-CD2 3.94Å; V46-L51 HydrophobicContact CG1-CG 3.79Å; S47-L51 PolarHBondContact O-N 2.9Å; V48-L51 PolarHBondContact O-N 3.39Å; A49-L51 PolarHBondContact O-N 3.3Å |
| 52 | L | 78.6 | Confident | 71 | Confident | 145 Ų | 145 | 118.9 Ų | 118.9 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.5 | -42.6 | 177.5 | -79.5 | 159.8 | 0 | 0 | 0 | 111.8 | V48 A49 | V48-L52 HydrophobicContact CG1-CD1 4.14Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.41Å; V48-L52 VanDerWaalsContact O-N 3.11Å; A49-L52 WeakPolarHBondContact O-CB 3.39Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-L52 VanDerWaalsContact O-N 3.07Å |
| 53 | E | 81.2 | Confident | 69.5 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -83.6 | -20 | -177.5 | -69.1 | 172.3 | -165.3 | 0 | 0 | 112.9 | A49 E55 L57 | A49-E53 PolarHBondContact O-N 3.22Å; E53-E55 PolarHBondContact O-N 3.39Å; E53-L57 WeakPolarHBondContact OE2-CD1 3.45Å; E53-L57 WeakPolarHBondContact OE2-CD2 3.21Å |
| 54 | G | 71.8 | Confident | 68.4 | Low | 72 Ų | 72 | 107.5 Ų | 107.5 | 74% | 0.742 | 62% | 0.615 | S | S | * | * | trans | 73.8 | 3.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A50 | A50-G54 WeakPolarHBondContact O-CA 3.4Å; A50-G54 PolarHBondContact O-N 2.91Å | ||
| 55 | E | 75.8 | Confident | 67.4 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 66% | 0.664 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -109.8 | 143.3 | 177.5 | -165.9 | 170.2 | 177.6 | 0 | 0 | 111.3 | A50 E53 L57 | A50-E55 WeakPolarHBondContact CB-O 3.48Å; E53-E55 PolarHBondContact O-N 3.39Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 2.88Å |
| 56 | K | 65.3 | Low | 66.7 | Low | 200 Ų | 200 | 106.1 Ų | 106.1 | 87% | 0.87 | 59% | 0.589 | S | S | * | * | trans | -73.1 | 85.7 | 174.8 | -73.5 | -175.6 | -177.7 | 178.1 | 0 | 109.5 | R58 | K56-R58 PolarHBondContact O-N 3.49Š| ||
| 57 | L | 61.9 | Low | 66.2 | Low | 61 Ų | 61 | 104.2 Ų | 104.2 | 32% | 0.319 | 58% | 0.578 | S | S | . | * | trans | -56.9 | 129.5 | 169.4 | -66.5 | 175.4 | 0 | 0 | 0 | 109.8 | A49 A50 E53 E55 L59 | A49-L57 HydrophobicContact CB-CD1 4.02Å; A50-L57 HydrophobicContact CB-CB 4.42Å; A50-L57 HydrophobicContact CB-CG 4.46Å; E53-L57 WeakPolarHBondContact OE2-CD1 3.45Å; E53-L57 WeakPolarHBondContact OE2-CD2 3.21Å; E55-L57 VanDerWaalsContact C-N 3.29Å; E55-L57 PolarHBondContact O-N 2.88Å; L57-L59 PolarHBondContact O-N 3.43Å | ||
| 58 | R | 60.3 | Low | 65.8 | Low | 205 Ų | 205 | 107.2 Ų | 107.2 | 77% | 0.774 | 59% | 0.585 | S | S | * | * | trans | -60.5 | 127.4 | 170.9 | -72.4 | -178.1 | 173.5 | 157.2 | 0.4 | 107.1 | K56 D60 E61 | K56-R58 PolarHBondContact O-N 3.49Å; R58-D60 PolarHBondContact O-N 2.81Å; R58-E61 PolarHBondContact O-N 2.89Å; R58-E61 VanDerWaalsContact O-N 3.09Å | ||
| 59 | L | 55.5 | Low | 65.4 | Low | 142 Ų | 142 | 105 Ų | 105 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -1.2 | -172.4 | -134.4 | 105.8 | 0 | 0 | 0 | 114.7 | L57 | L57-L59 PolarHBondContact O-N 3.43Š|
| 60 | D | 53.1 | Low | 65.2 | Low | 155 Ų | 155 | 110 Ų | 110 | 83% | 0.829 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 2 | -177.8 | -148.8 | 24.3 | 0 | 0 | 0 | 113.2 | R58 | R58-D60 PolarHBondContact O-N 2.81Š|
| 61 | E | 51.4 | Low | 64.6 | Low | 145 Ų | 145 | 119 Ų | 119 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | trans | -105.1 | 30.2 | 173.1 | -67 | -179.1 | -175.7 | 0 | 0 | 111.7 | R58 G63 | R58-E61 PolarHBondContact O-N 2.89Å; R58-E61 VanDerWaalsContact O-N 3.09Å; E61-G63 PolarHBondContact O-N 2.7Å | ||
| 62 | G | 47.8 | Very low | 64.3 | Low | 56 Ų | 56 | 117.9 Ų | 117.9 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -61.3 | 97.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | D64 | G62-D64 VanDerWaalsContact C-N 3.33Å; G62-D64 PolarHBondContact O-N 2.83Å |
| 63 | G | 52.9 | Low | 63.6 | Low | 55 Ų | 55 | 114 Ų | 114 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | trans | -50.2 | 94.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E61 N65 | E61-G63 PolarHBondContact O-N 2.7Å; G63-N65 PolarHBondContact O-N 3.06Å; G63-N65 PolarHBondContact O-ND2 2.95Å | ||
| 64 | D | 58.1 | Low | 63.3 | Low | 135 Ų | 135 | 110.1 Ų | 110.1 | 72% | 0.722 | 61% | 0.611 | S | S | * | * | trans | -67.9 | 81.1 | 164.3 | -80.7 | -24.2 | 0 | 0 | 0 | 106.6 | G62 D66 | G62-D64 VanDerWaalsContact C-N 3.33Å; G62-D64 PolarHBondContact O-N 2.83Å; D64-D66 PolarHBondContact O-N 3.44Å | ||
| 65 | N | 57.2 | Low | 63.4 | Low | 126 Ų | 126 | 112.7 Ų | 112.7 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | trans | -71.4 | 41 | 172.9 | -78.1 | -58.8 | 0 | 0 | 0 | 111.1 | G63 | G63-N65 PolarHBondContact O-N 3.06Å; G63-N65 PolarHBondContact O-ND2 2.95Å | ||
| 66 | D | 64.8 | Low | 63.2 | Low | 25 Ų | 25 | 108 Ų | 108 | 13% | 0.134 | 59% | 0.593 | C | S | . | * | trans | -130.9 | 74.1 | 174.1 | -164.9 | -5.4 | 0 | 0 | 0 | 109.9 | D64 F68 K69 L70 K71 | D64-D66 PolarHBondContact O-N 3.44Å; D66-F68 PolarHBondContact O-N 2.93Å; D66-F68 VanDerWaalsContact O-N 3.09Å; D66-F68 PolarHBondContact OD1-N 2.87Å; D66-K69 PolarHBondContact O-N 3.44Å; D66-K69 PolarHBondContact OD1-N 2.81Å; D66-L70 PolarHBondContact OD1-N 3.33Å; D66-L70 PolarHBondContact OD2-N 3.45Å; D66-K71 WeakPolarHBondContact OD2-CB 3.45Å; D66-K71 PolarHBondContact OD2-N 2.98Å | ||
| 67 | P | 68.1 | Low | 63.4 | Low | 59 Ų | 59 | 102 Ų | 102 | 38% | 0.383 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60 | -20.7 | 178.6 | 24.6 | -33.6 | 0 | 0 | 0 | 112.5 | V81 | P67-V81 HydrophobicContact CB-CG2 4.36Š|
| 68 | F | 69.8 | Low | 63.7 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.7 | 2 | 178.3 | -65.2 | -72.9 | 0 | 0 | 0 | 113.5 | D66 L70 V76 | D66-F68 PolarHBondContact O-N 2.93Å; D66-F68 VanDerWaalsContact O-N 3.09Å; D66-F68 PolarHBondContact OD1-N 2.87Å; F68-L70 HydrophobicContact CB-CD1 4.05Å; F68-L70 HydrophobicContact CB-CG 3.85Å; F68-L70 PolarHBondContact O-N 3.48Å; F68-L70 VanDerWaalsContact O-N 3.08Å; F68-V76 HydrophobicContact CD1-CG1 4.37Å; F68-V76 HydrophobicContact CD1-CG2 4.45Å; F68-V76 WeakPolarHBondContact O-CG2 3.46Å |
| 69 | K | 67.7 | Low | 64.2 | Low | 65 Ų | 65 | 104.6 Ų | 104.6 | 28% | 0.283 | 59% | 0.589 | S | S | . | * | trans | 47.3 | 34.8 | -178 | -60.8 | 178.1 | -177.5 | 168.3 | 0 | 112.9 | D66 K71 G73 V75 D77 | D66-K69 PolarHBondContact O-N 3.44Å; D66-K69 PolarHBondContact OD1-N 2.81Å; K69-K71 VanDerWaalsContact C-N 3.27Å; K69-K71 PolarHBondContact O-N 3.4Å; K69-G73 WeakPolarHBondContact O-CA 3.4Å; K69-G73 PolarHBondContact O-N 2.91Å; K69-V75 WeakPolarHBondContact CD-O 3.24Å; K69-V75 WeakPolarHBondContact CE-O 2.99Å; K69-V75 PolarHBondContact NZ-O 2.9Å; K69-D77 IonicContact NZ-OD2 2.83Å; K69-D77 PolarHBondContact NZ-OD2 3.13Å | ||
| 70 | L | 72 | Confident | 64.8 | Low | 149 Ų | 149 | 105 Ų | 105 | 78% | 0.78 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -28.7 | -179.7 | -69.9 | 168.4 | 0 | 0 | 0 | 112.7 | D66 F68 | D66-L70 PolarHBondContact OD1-N 3.33Å; D66-L70 PolarHBondContact OD2-N 3.45Å; F68-L70 HydrophobicContact CB-CD1 4.05Å; F68-L70 HydrophobicContact CB-CG 3.85Å; F68-L70 PolarHBondContact O-N 3.48Å; F68-L70 VanDerWaalsContact O-N 3.08Å |
| 71 | K | 66.1 | Low | 65.4 | Low | 197 Ų | 197 | 100 Ų | 100 | 86% | 0.857 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -38.6 | 179.6 | -62.2 | 179.1 | -178.6 | 175.6 | 0 | 112.4 | D66 K69 | D66-K71 WeakPolarHBondContact OD2-CB 3.45Å; D66-K71 PolarHBondContact OD2-N 2.98Å; K69-K71 VanDerWaalsContact C-N 3.27Å; K69-K71 PolarHBondContact O-N 3.4Å |
| 72 | T | 71.3 | Confident | 66.1 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -17.5 | -175.2 | 13.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 73 | G | 62.6 | Low | 66.9 | Low | 63 Ų | 63 | 102.6 Ų | 102.6 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | trans | 66.6 | 102.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K69 | K69-G73 WeakPolarHBondContact O-CA 3.4Å; K69-G73 PolarHBondContact O-N 2.91Å | ||
| 74 | G | 75.3 | Confident | 67.4 | Low | 46 Ų | 46 | 106.9 Ų | 106.9 | 47% | 0.474 | 56% | 0.556 | S | S | . | * | trans | 176.6 | 172.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 75 | V | 73.6 | Confident | 67.5 | Low | 126 Ų | 126 | 104 Ų | 104 | 76% | 0.764 | 55% | 0.551 | S | S | * | * | trans | -70.3 | 131.1 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | K69 | K69-V75 WeakPolarHBondContact CD-O 3.24Å; K69-V75 WeakPolarHBondContact CE-O 2.99Å; K69-V75 PolarHBondContact NZ-O 2.9Å | ||
| 76 | V | 71.4 | Confident | 67.8 | Low | 44 Ų | 44 | 107 Ų | 107 | 27% | 0.267 | 55% | 0.553 | S | S | . | * | trans | -70.9 | 127.8 | -179.7 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | F68 M78 V81 | F68-V76 HydrophobicContact CD1-CG1 4.37Å; F68-V76 HydrophobicContact CD1-CG2 4.45Å; F68-V76 WeakPolarHBondContact O-CG2 3.46Å; V76-M78 HydrophobicContact CG1-SD 4.29Å; V76-M78 PolarHBondContact O-N 3.16Å; V76-V81 HydrophobicContact CG1-CG2 4.27Å | ||
| 77 | D | 70.5 | Confident | 67.4 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 39% | 0.39 | 58% | 0.58 | S | S | . | * | trans | -86.5 | 93.4 | 176.9 | -70.7 | -43 | 0 | 0 | 0 | 110.6 | K69 K79 K80 | K69-D77 IonicContact NZ-OD2 2.83Å; K69-D77 PolarHBondContact NZ-OD2 3.13Å; D77-K79 PolarHBondContact O-N 3.25Å; D77-K80 HydrophobicContact CB-CD 4.2Å; D77-K80 HydrophobicContact CB-CG 4.33Å; D77-K80 PolarHBondContact O-N 2.98Å; D77-K80 VanDerWaalsContact O-N 3.09Å | ||
| 78 | M | 68.1 | Low | 66.8 | Low | 143 Ų | 143 | 116.6 Ų | 116.6 | 70% | 0.704 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -57.2 | -20.2 | -175.6 | -67.2 | -61.8 | -68.6 | 0 | 0 | 115.3 | V76 | V76-M78 HydrophobicContact CG1-SD 4.29Å; V76-M78 PolarHBondContact O-N 3.16Å |
| 79 | K | 71.3 | Confident | 65.9 | Low | 178 Ų | 178 | 115.8 Ų | 115.8 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.8 | -44.3 | 176.9 | -64.3 | -178.1 | -178.7 | 179.8 | 0 | 111.4 | D77 V81 K82 D83 | D77-K79 PolarHBondContact O-N 3.25Å; K79-V81 VanDerWaalsContact C-N 3.31Å; K79-V81 PolarHBondContact O-N 3.46Å; K79-K82 PolarHBondContact O-N 3.01Å; K79-D83 PolarHBondContact O-N 2.96Å |
| 80 | K | 67 | Low | 65.1 | Low | 151 Ų | 151 | 119.6 Ų | 119.6 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.5 | -30 | -179 | -64.7 | -179 | 177 | 176.4 | 0 | 113 | D77 | D77-K80 HydrophobicContact CB-CD 4.2Å; D77-K80 HydrophobicContact CB-CG 4.33Å; D77-K80 PolarHBondContact O-N 2.98Å; D77-K80 VanDerWaalsContact O-N 3.09Å |
| 81 | V | 65.6 | Low | 64.1 | Low | 48 Ų | 48 | 119.4 Ų | 119.4 | 29% | 0.291 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.3 | -32.7 | 177.4 | 180 | 0 | 0 | 0 | 0 | 111.7 | P67 V76 K79 | P67-V81 HydrophobicContact CB-CG2 4.36Å; V76-V81 HydrophobicContact CG1-CG2 4.27Å; K79-V81 VanDerWaalsContact C-N 3.31Å; K79-V81 PolarHBondContact O-N 3.46Å |
| 82 | K | 67.8 | Low | 63.3 | Low | 159 Ų | 159 | 116.6 Ų | 116.6 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -81.7 | -30.9 | -175.3 | -168 | 166.1 | -179.8 | 174.9 | 0 | 113.2 | K79 | K79-K82 PolarHBondContact O-N 3.01Å |
| 83 | D | 63.9 | Low | 62.4 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.8 | -34.4 | 179.7 | -63.6 | -31.4 | 0 | 0 | 0 | 111.7 | K79 A85 R86 | K79-D83 PolarHBondContact O-N 2.96Å; D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 2.85Å; D83-R86 PolarHBondContact O-N 3.36Å; D83-R86 VanDerWaalsContact O-N 3.11Å |
| 84 | R | 63.4 | Low | 62 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 55% | 0.547 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -20.5 | 179 | -144 | 179 | -126 | -166 | 0.1 | 114.5 | R86 | R84-R86 VanDerWaalsContact C-N 3.29Š|
| 85 | A | 60.9 | Low | 61.1 | Low | 74 Ų | 74 | 121.7 Ų | 121.7 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -13.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | D83 | D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 2.85Å |
| 86 | R | 61.9 | Low | 60 | Low | 189 Ų | 189 | 123 Ų | 123 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -27.7 | 175.2 | -83.3 | -177.6 | 171.6 | 159.5 | -6.1 | 113.5 | D83 R84 M88 T89 | D83-R86 PolarHBondContact O-N 3.36Å; D83-R86 VanDerWaalsContact O-N 3.11Å; R84-R86 VanDerWaalsContact C-N 3.29Å; R86-M88 VanDerWaalsContact C-N 3.28Å; R86-M88 PolarHBondContact O-N 3.41Å; R86-T89 PolarHBondContact O-OG1 3.33Å |
| 87 | D | 57.3 | Low | 59.3 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -10.4 | 179.4 | -86.6 | -12.7 | 0 | 0 | 0 | 114.1 | T89 | D87-T89 VanDerWaalsContact C-N 3.34Å; D87-T89 PolarHBondContact O-N 2.92Å |
| 88 | M | 54.8 | Low | 58.6 | Low | 154 Ų | 154 | 128.2 Ų | 128.2 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 0.7 | -177.8 | -75 | -71.3 | 179.7 | 0 | 0 | 114.4 | R86 | R86-M88 VanDerWaalsContact C-N 3.28Å; R86-M88 PolarHBondContact O-N 3.41Å |
| 89 | T | 50.8 | Low | 57.9 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -11.9 | -170.6 | 47.3 | 0 | 0 | 0 | 0 | 116.4 | R86 D87 | R86-T89 PolarHBondContact O-OG1 3.33Å; D87-T89 VanDerWaalsContact C-N 3.34Å; D87-T89 PolarHBondContact O-N 2.92Å |
| 90 | D | 51.8 | Low | 57.2 | Low | 145 Ų | 145 | 120.4 Ų | 120.4 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -16.5 | -173.5 | -84.4 | -36.8 | 0 | 0 | 0 | 115.9 | ||
| 91 | D | 51.5 | Low | 56.8 | Low | 145 Ų | 145 | 116.4 Ų | 116.4 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -94.5 | -16.4 | -171.8 | -129.8 | 11.6 | 0 | 0 | 0 | 114.6 | T93 | D91-T93 PolarHBondContact O-N 2.92Š|
| 92 | D | 49.5 | Very low | 56.2 | Low | 139 Ų | 139 | 121.6 Ų | 121.6 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 8.1 | -171.7 | -134.8 | 10.3 | 0 | 0 | 0 | 113.9 | ||
| 93 | T | 51.6 | Low | 55.8 | Low | 119 Ų | 119 | 118.5 Ų | 118.5 | 73% | 0.73 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -4.8 | 178.2 | -22.2 | 0 | 0 | 0 | 0 | 113.2 | D91 | D91-T93 PolarHBondContact O-N 2.92Š|
| 94 | G | 55.1 | Low | 55.5 | Low | 55 Ų | 55 | 116.5 Ų | 116.5 | 57% | 0.567 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -90.6 | -21.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 95 | D | 55.1 | Low | 55.2 | Low | 140 Ų | 140 | 117.5 Ų | 117.5 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 3.5 | -167.8 | -95.2 | -4.4 | 0 | 0 | 0 | 115.4 | ||
| 96 | L | 51.8 | Low | 54.9 | Low | 154 Ų | 154 | 119.7 Ų | 119.7 | 81% | 0.806 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 14.2 | 176.8 | -65.6 | 178.1 | 0 | 0 | 0 | 114.4 | L98 | L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 2.99Å |
| 97 | N | 55.6 | Low | 54.7 | Low | 104 Ų | 104 | 116.4 Ų | 116.4 | 56% | 0.556 | 67% | 0.67 | S | S | * | * | trans | -96 | 42.4 | 169.5 | -71 | -6.7 | 0 | 0 | 0 | 112.1 | G99 T100 S101 | N97-G99 PolarHBondContact O-N 3.16Å; N97-T100 PolarHBondContact O-N 3.48Å; N97-T100 PolarHBondContact O-OG1 2.81Å; N97-T100 VanDerWaalsContact O-OG1 3.08Å; N97-S101 PolarHBondContact O-OG 3.34Å; N97-S101 VanDerWaalsContact O-OG 3.12Å | ||
| 98 | L | 55.3 | Low | 54.8 | Low | 122 Ų | 122 | 121 Ų | 121 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -57.7 | -18.8 | 173.3 | -172.6 | 60.9 | 0 | 0 | 0 | 113.1 | L96 F102 | L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 2.99Å; L98-F102 HydrophobicContact CD1-CE2 4.18Å |
| 99 | G | 53.4 | Low | 55.2 | Low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.8 | -18.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N97 | N97-G99 PolarHBondContact O-N 3.16Å |
| 100 | T | 57.2 | Low | 56.1 | Low | 91 Ų | 91 | 123.7 Ų | 123.7 | 56% | 0.558 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -99.4 | -17.4 | 179.4 | 60 | 0 | 0 | 0 | 0 | 113.2 | N97 | N97-T100 PolarHBondContact O-N 3.48Å; N97-T100 PolarHBondContact O-OG1 2.81Å; N97-T100 VanDerWaalsContact O-OG1 3.08Å |
| 101 | S | 58.3 | Low | 57.2 | Low | 68 Ų | 68 | 123.3 Ų | 123.3 | 48% | 0.476 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -71.5 | -31.5 | -178 | -38.7 | 0 | 0 | 0 | 0 | 113 | N97 | N97-S101 PolarHBondContact O-OG 3.34Å; N97-S101 VanDerWaalsContact O-OG 3.12Å |
| 102 | F | 53.9 | Low | 58.6 | Low | 156 Ų | 156 | 122 Ų | 122 | 68% | 0.684 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -24.8 | 178 | -80.4 | -81.9 | 0 | 0 | 0 | 113.6 | L98 | L98-F102 HydrophobicContact CD1-CE2 4.18Š|
| 103 | S | 58.7 | Low | 60.3 | Low | 94 Ų | 94 | 117.8 Ų | 117.8 | 66% | 0.657 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 104 | A | 58.5 | Low | 61.8 | Low | 55 Ų | 55 | 116.6 Ų | 116.6 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -89.2 | -13.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 105 | E | 57 | Low | 63.3 | Low | 166 Ų | 166 | 119.2 Ų | 119.2 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 19.8 | -173.9 | -152 | -177 | 167.2 | 0 | 0 | 114.1 | ||
| 106 | T | 54.9 | Low | 64.9 | Low | 120 Ų | 120 | 117.4 Ų | 117.4 | 74% | 0.736 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 7.1 | 171.2 | 64.4 | 0 | 0 | 0 | 0 | 114 | ||
| 107 | N | 56.4 | Low | 66.7 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 65% | 0.647 | 61% | 0.614 | S | S | * | * | trans | -141.7 | 49.2 | -179.8 | -153.9 | 16.1 | 0 | 0 | 0 | 113.8 | ||||
| 108 | R | 59.5 | Low | 68.3 | Low | 229 Ų | 229 | 118.3 Ų | 118.3 | 86% | 0.864 | 61% | 0.614 | S | S | * | * | trans | -113.7 | 14.2 | 163.2 | -71.5 | -169.1 | -178.7 | 160.8 | 1.5 | 112.9 | ||||
| 109 | R | 64 | Low | 70 | Confident | 188 Ų | 188 | 116.3 Ų | 116.3 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -97.7 | 116 | 159 | -87.2 | -175.3 | 166.6 | 90.4 | -3.4 | 105.7 | E111 | R109-E111 PolarHBondContact O-N 3.29Š|
| 110 | D | 68.7 | Low | 71.6 | Confident | 122 Ų | 122 | 118.2 Ų | 118.2 | 65% | 0.652 | 60% | 0.595 | S | S | * | * | trans | -69.6 | 80 | 169.6 | -66.6 | -35.6 | 0 | 0 | 0 | 107.7 | D112 A113 D114 | D110-D112 PolarHBondContact O-N 2.84Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D110-A113 HydrophobicContact CB-CB 3.55Å; D110-A113 WeakPolarHBondContact O-CA 3.38Å; D110-A113 WeakPolarHBondContact O-CB 3.22Å; D110-A113 PolarHBondContact O-N 3.08Å; D110-D114 PolarHBondContact O-N 2.91Å | ||
| 111 | E | 76 | Confident | 73 | Confident | 137 Ų | 137 | 116.4 Ų | 116.4 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -54.8 | -33.3 | 178.5 | -64.6 | -179.4 | 165.6 | 0 | 0 | 110.8 | R109 D114 M115 | R109-E111 PolarHBondContact O-N 3.29Å; E111-D114 PolarHBondContact O-N 2.95Å; E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.47Å; E111-M115 PolarHBondContact O-N 3.39Å |
| 112 | D | 80.3 | Confident | 74.4 | Confident | 116 Ų | 116 | 115.8 Ų | 115.8 | 62% | 0.62 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.6 | -36.4 | 175.8 | -158 | 41.3 | 0 | 0 | 0 | 112.1 | D110 M115 M116 | D110-D112 PolarHBondContact O-N 2.84Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D112-M115 PolarHBondContact O-N 3.07Å; D112-M116 VanDerWaalsContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CB 3.38Å; D112-M116 WeakPolarHBondContact O-CG 3.31Å; D112-M116 PolarHBondContact O-N 3.35Å |
| 113 | A | 84.9 | Confident | 75.9 | Confident | 52 Ų | 52 | 112.8 Ų | 112.8 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.6 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D110 K117 | D110-A113 HydrophobicContact CB-CB 3.55Å; D110-A113 WeakPolarHBondContact O-CA 3.38Å; D110-A113 WeakPolarHBondContact O-CB 3.22Å; D110-A113 PolarHBondContact O-N 3.08Å; A113-K117 VanDerWaalsContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 2.87Å |
| 114 | D | 83.7 | Confident | 76.9 | Confident | 94 Ų | 94 | 113 Ų | 113 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.2 | -36.9 | 175.1 | -82.7 | -20.4 | 0 | 0 | 0 | 111.9 | D110 E111 K117 Y118 | D110-D114 PolarHBondContact O-N 2.91Å; E111-D114 PolarHBondContact O-N 2.95Å; D114-K117 PolarHBondContact O-N 3.14Å; D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3Å |
| 115 | M | 86.8 | Confident | 78 | Confident | 109 Ų | 109 | 116.3 Ų | 116.3 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -44.4 | 174.3 | -169.2 | -179.6 | -54.3 | 0 | 0 | 111.3 | E111 D112 Y118 I119 | E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.47Å; E111-M115 PolarHBondContact O-N 3.39Å; D112-M115 PolarHBondContact O-N 3.07Å; M115-Y118 PolarHBondContact O-N 2.83Å; M115-I119 HydrophobicContact CG-CD1 4.25Å; M115-I119 VanDerWaalsContact O-CG1 3.3Å; M115-I119 WeakPolarHBondContact O-CG1 3.45Å; M115-I119 PolarHBondContact O-N 3.41Å |
| 116 | M | 88 | Confident | 79 | Confident | 103 Ų | 103 | 116.9 Ų | 116.9 | 51% | 0.507 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -43.1 | 175.3 | -73 | -69.2 | -79.5 | 0 | 0 | 111.6 | D112 Y118 I119 E120 | D112-M116 VanDerWaalsContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CB 3.38Å; D112-M116 WeakPolarHBondContact O-CG 3.31Å; D112-M116 PolarHBondContact O-N 3.35Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.9Å; M116-I119 PolarHBondContact O-N 3.36Å; M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.05Å |
| 117 | K | 90.2 | Very high | 80.2 | Confident | 132 Ų | 132 | 119.5 Ų | 119.5 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.2 | -41.7 | 174 | -176.1 | -179.4 | 176.9 | -173.6 | 0 | 111.6 | A113 D114 E120 T121 | A113-K117 VanDerWaalsContact O-CB 3.31Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 2.87Å; D114-K117 PolarHBondContact O-N 3.14Å; K117-E120 PolarHBondContact O-N 2.85Å; K117-T121 VanDerWaalsContact O-CG2 3.27Å; K117-T121 WeakPolarHBondContact O-CG2 3.32Å; K117-T121 PolarHBondContact O-N 3.06Å; K117-T121 PolarHBondContact O-OG1 3.13Å |
| 118 | Y | 89.4 | Confident | 80.5 | Confident | 145 Ų | 145 | 116.6 Ų | 116.6 | 57% | 0.569 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -47.6 | 176.2 | -178.2 | -102.7 | 0 | 0 | 0 | 111.5 | D114 M115 M116 E120 T121 E122 | D114-Y118 WeakPolarHBondContact O-CB 3.34Å; D114-Y118 PolarHBondContact O-N 3Å; M115-Y118 PolarHBondContact O-N 2.83Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.9Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.48Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.16Å; Y118-T121 PolarHBondContact O-N 3.23Å; Y118-T121 VanDerWaalsContact O-N 3.15Å; Y118-T121 PolarHBondContact O-OG1 2.84Å; Y118-E122 HydrophobicContact CD1-CG 4.22Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 HydrophobicContact CE1-CG 3.74Å; Y118-E122 HydrophobicContact CE2-CG 3.93Å; Y118-E122 PolarHBondContact O-N 3.45Å |
| 119 | I | 90.4 | Very high | 80.4 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 41% | 0.41 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.2 | -67.5 | 164.4 | 0 | 0 | 0 | 110.8 | M115 M116 E122 L123 | M115-I119 HydrophobicContact CG-CD1 4.25Å; M115-I119 VanDerWaalsContact O-CG1 3.3Å; M115-I119 WeakPolarHBondContact O-CG1 3.45Å; M115-I119 PolarHBondContact O-N 3.41Å; M116-I119 PolarHBondContact O-N 3.36Å; I119-E122 PolarHBondContact O-N 2.79Å; I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.3Å; I119-L123 VanDerWaalsContact O-CB 3.31Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.35Å; I119-L123 PolarHBondContact O-N 3.34Å |
| 120 | E | 87.8 | Confident | 79.9 | Confident | 104 Ų | 104 | 108.1 Ų | 108.1 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.1 | -74.7 | -178.2 | -172.7 | 0 | 0 | 112.4 | M116 K117 Y118 L123 K124 | M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.05Å; K117-E120 PolarHBondContact O-N 2.85Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.48Å; E120-L123 PolarHBondContact O-N 3.25Å; E120-K124 WeakPolarHBondContact O-CB 3.33Å; E120-K124 VanDerWaalsContact O-CG 3.23Å; E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 3.17Å |
| 121 | T | 85.9 | Confident | 79.4 | Confident | 54 Ų | 54 | 109.8 Ų | 109.8 | 33% | 0.331 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 177.9 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | K117 Y118 K124 K125 | K117-T121 VanDerWaalsContact O-CG2 3.27Å; K117-T121 WeakPolarHBondContact O-CG2 3.32Å; K117-T121 PolarHBondContact O-N 3.06Å; K117-T121 PolarHBondContact O-OG1 3.13Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.16Å; Y118-T121 PolarHBondContact O-N 3.23Å; Y118-T121 VanDerWaalsContact O-N 3.15Å; Y118-T121 PolarHBondContact O-OG1 2.84Å; T121-K124 PolarHBondContact O-N 2.96Å; T121-K125 WeakPolarHBondContact O-CB 3.47Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 3.25Å |
| 122 | E | 87.3 | Confident | 78 | Confident | 55 Ų | 55 | 106.7 Ų | 106.7 | 26% | 0.257 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 178.1 | -73.4 | -59.3 | 126.4 | 0 | 0 | 111.9 | Y118 I119 K125 K126 | Y118-E122 HydrophobicContact CD1-CG 4.22Å; Y118-E122 HydrophobicContact CD2-CG 4.38Å; Y118-E122 HydrophobicContact CE1-CG 3.74Å; Y118-E122 HydrophobicContact CE2-CG 3.93Å; Y118-E122 PolarHBondContact O-N 3.45Å; I119-E122 PolarHBondContact O-N 2.79Å; E122-K125 PolarHBondContact O-N 3.28Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.86Å; E122-K125 PolarHBondContact OE1-NZ 2.99Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.47Å; E122-K126 PolarHBondContact O-N 3.31Å |
| 123 | L | 84.7 | Confident | 76.5 | Confident | 93 Ų | 93 | 110 Ų | 110 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.8 | -38.4 | 171.3 | -74.9 | 174.6 | 0 | 0 | 0 | 112 | I119 E120 K126 K127 | I119-L123 HydrophobicContact CG2-CD1 3.82Å; I119-L123 HydrophobicContact CG2-CG 4.3Å; I119-L123 VanDerWaalsContact O-CB 3.31Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.35Å; I119-L123 PolarHBondContact O-N 3.34Å; E120-L123 PolarHBondContact O-N 3.25Å; L123-K126 PolarHBondContact O-N 2.84Å; L123-K127 VanDerWaalsContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CB 3.5Å; L123-K127 VanDerWaalsContact O-CG 3.24Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å; L123-K127 PolarHBondContact O-N 2.88Å |
| 124 | K | 80.9 | Confident | 74.6 | Confident | 99 Ų | 99 | 115 Ų | 115 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66 | -43.5 | 174.6 | -77.1 | 173 | -178.5 | 178.1 | 0 | 111.8 | E120 T121 K127 G128 L129 | E120-K124 WeakPolarHBondContact O-CB 3.33Å; E120-K124 VanDerWaalsContact O-CG 3.23Å; E120-K124 WeakPolarHBondContact O-CG 3.39Å; E120-K124 PolarHBondContact O-N 3.17Å; T121-K124 PolarHBondContact O-N 2.96Å; K124-K127 CarbonylContact O-C 3.6Å; K124-K127 PolarHBondContact O-N 3.35Å; K124-G128 PolarHBondContact O-N 3.12Å; K124-G128 VanDerWaalsContact O-N 3.16Å; K124-L129 PolarHBondContact O-N 2.85Å |
| 125 | K | 81.8 | Confident | 72.8 | Confident | 123 Ų | 123 | 118.6 Ų | 118.6 | 54% | 0.535 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.6 | -46.3 | 172.9 | -73.5 | 174.7 | -168.8 | 170.7 | 0 | 111.6 | T121 E122 K127 G128 | T121-K125 WeakPolarHBondContact O-CB 3.47Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.31Å; T121-K125 PolarHBondContact O-N 3.25Å; E122-K125 PolarHBondContact O-N 3.28Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.86Å; E122-K125 PolarHBondContact OE1-NZ 2.99Å; K125-K127 VanDerWaalsContact C-N 3.31Å; K125-K127 PolarHBondContact O-N 2.95Å; K125-G128 PolarHBondContact O-N 3.06Å; K125-G128 VanDerWaalsContact O-N 3.08Å |
| 126 | K | 77.4 | Confident | 71 | Confident | 179 Ų | 179 | 121.4 Ų | 121.4 | 78% | 0.778 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.1 | -30 | 175.6 | -79.3 | -173.7 | 173.1 | -179.1 | 0 | 113.5 | E122 L123 G128 | E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.47Å; E122-K126 PolarHBondContact O-N 3.31Å; L123-K126 PolarHBondContact O-N 2.84Å; K126-G128 PolarHBondContact O-N 3.32Å |
| 127 | K | 80.8 | Confident | 69.3 | Low | 175 Ų | 175 | 122 Ų | 122 | 76% | 0.761 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -0.8 | 172.8 | -75.5 | 176.9 | 179.4 | -177.7 | 0 | 113.4 | L123 K124 K125 L129 | L123-K127 VanDerWaalsContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CB 3.5Å; L123-K127 VanDerWaalsContact O-CG 3.24Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å; L123-K127 PolarHBondContact O-N 2.88Å; K124-K127 CarbonylContact O-C 3.6Å; K124-K127 PolarHBondContact O-N 3.35Å; K125-K127 VanDerWaalsContact C-N 3.31Å; K125-K127 PolarHBondContact O-N 2.95Å; K127-L129 VanDerWaalsContact C-N 3.26Å; K127-L129 PolarHBondContact O-N 3.4Å |
| 128 | G | 61 | Low | 68 | Low | 60 Ų | 60 | 123.9 Ų | 123.9 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.7 | 10.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K124 K125 K126 V130 | K124-G128 PolarHBondContact O-N 3.12Å; K124-G128 VanDerWaalsContact O-N 3.16Å; K125-G128 PolarHBondContact O-N 3.06Å; K125-G128 VanDerWaalsContact O-N 3.08Å; K126-G128 PolarHBondContact O-N 3.32Å; G128-V130 VanDerWaalsContact C-N 3.29Å; G128-V130 PolarHBondContact O-N 3.37Å |
| 129 | L | 58.3 | Low | 66.7 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | trans | -90.5 | 71.6 | 174.1 | -151.6 | 81.7 | 0 | 0 | 0 | 108.3 | K124 K127 E131 | K124-L129 PolarHBondContact O-N 2.85Å; K127-L129 VanDerWaalsContact C-N 3.26Å; K127-L129 PolarHBondContact O-N 3.4Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 2.86Å; L129-E131 VanDerWaalsContact O-N 3.08Å | ||
| 130 | V | 53.6 | Low | 65.6 | Low | 115 Ų | 115 | 124.6 Ų | 124.6 | 70% | 0.697 | 63% | 0.629 | S | S | * | * | trans | -71.4 | 98.2 | 164.7 | -179.5 | 0 | 0 | 0 | 0 | 105.4 | G128 A132 | G128-V130 VanDerWaalsContact C-N 3.29Å; G128-V130 PolarHBondContact O-N 3.37Å; V130-A132 PolarHBondContact O-N 3.37Å | ||
| 131 | E | 57.9 | Low | 65.1 | Low | 156 Ų | 156 | 124.4 Ų | 124.4 | 73% | 0.729 | 63% | 0.632 | S | S | * | * | trans | -59.1 | 95.4 | 154.5 | -84.9 | 178 | 150.7 | 0 | 0 | 105.2 | L129 E133 | L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 2.86Å; L129-E131 VanDerWaalsContact O-N 3.08Å; E131-E133 PolarHBondContact O-N 2.98Å; E131-E133 VanDerWaalsContact O-N 3.08Å | ||
| 132 | A | 47.9 | Very low | 64.7 | Low | 73 Ų | 73 | 125.3 Ų | 125.3 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | trans | -49.8 | 118.8 | 153 | 0 | 0 | 0 | 0 | 0 | 104.3 | V130 E134 | V130-A132 PolarHBondContact O-N 3.37Å; A132-E134 PolarHBondContact O-N 3.34Å | ||
| 133 | E | 47.2 | Very low | 64.2 | Low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | trans | -58.3 | 90.4 | 164.8 | -68.2 | -160 | 166.6 | 0 | 0 | 105.9 | E131 Q135 | E131-E133 PolarHBondContact O-N 2.98Å; E131-E133 VanDerWaalsContact O-N 3.08Å; E133-Q135 PolarHBondContact O-N 3.17Å | ||
| 134 | E | 46.1 | Very low | 63.8 | Low | 158 Ų | 158 | 128.6 Ų | 128.6 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | trans | -60.2 | 94.1 | 162.5 | -77 | -173.9 | 166.4 | 0 | 0 | 103.9 | A132 K136 | A132-E134 PolarHBondContact O-N 3.34Å; E134-K136 PolarHBondContact O-N 3.43Å | ||
| 135 | Q | 45.9 | Very low | 63.7 | Low | 168 Ų | 168 | 128.7 Ų | 128.7 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | trans | -49.9 | 92.4 | 153.4 | -69.6 | 179.9 | -4.6 | 0 | 0 | 104.9 | E133 V137 | E133-Q135 PolarHBondContact O-N 3.17Å; Q135-V137 PolarHBondContact O-N 3.05Å | ||
| 136 | K | 48 | Very low | 63.7 | Low | 169 Ų | 169 | 129.8 Ų | 129.8 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | trans | -63.7 | 85.8 | 167.3 | -71 | -175.9 | -179.5 | 179.7 | 0 | 104.8 | E134 K138 | E134-K136 PolarHBondContact O-N 3.43Å; K136-K138 PolarHBondContact O-N 3.44Å | ||
| 137 | V | 53.4 | Low | 63.9 | Low | 116 Ų | 116 | 130.5 Ų | 130.5 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | trans | -64.5 | 84.6 | 160.9 | -179.4 | 0 | 0 | 0 | 0 | 103.8 | Q135 V139 | Q135-V137 PolarHBondContact O-N 3.05Å; V137-V139 PolarHBondContact O-N 3.48Å | ||
| 138 | K | 62.3 | Low | 64 | Low | 171 Ų | 171 | 125.9 Ų | 125.9 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | trans | -54 | 117.5 | 166 | -68.7 | -177.8 | 179.7 | -179.4 | 0 | 104.8 | K136 K140 | K136-K138 PolarHBondContact O-N 3.44Å; K138-K140 PolarHBondContact O-N 2.9Å | ||
| 139 | V | 61.3 | Low | 65 | Low | 142 Ų | 142 | 128.2 Ų | 128.2 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -59.7 | 106.1 | 173.7 | -172 | 0 | 0 | 0 | 0 | 105.3 | V137 N141 | V137-V139 PolarHBondContact O-N 3.48Å; V139-N141 PolarHBondContact O-N 3.04Å | ||
| 140 | K | 67.6 | Low | 66.3 | Low | 98 Ų | 98 | 125.8 Ų | 125.8 | 43% | 0.426 | 65% | 0.646 | S | S | . | * | trans | -66.8 | 134.9 | -175.5 | -66.6 | 178.3 | -171 | 162.5 | 0 | 108.1 | K138 D144 E148 | K138-K140 PolarHBondContact O-N 2.9Å; K140-D144 HydrophobicContact CB-CB 3.98Å; K140-E148 VanDerWaalsContact CD-OE1 3.27Å; K140-E148 WeakPolarHBondContact CD-OE1 3.47Å; K140-E148 VanDerWaalsContact CE-OE1 3.32Å; K140-E148 WeakPolarHBondContact CE-OE1 3.25Å; K140-E148 IonicContact NZ-OE1 3.35Å; K140-E148 PolarHBondContact NZ-OE1 3.43Å; K140-E148 IonicContact NZ-OE2 3.41Å | ||
| 141 | N | 78.3 | Confident | 67.4 | Low | 100 Ų | 100 | 128.6 Ų | 128.6 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | trans | -64.6 | 156.9 | 176.3 | -163.8 | 8.1 | 0 | 0 | 0 | 109.4 | V139 E143 D144 L145 | V139-N141 PolarHBondContact O-N 3.04Å; N141-E143 PolarHBondContact O-N 2.99Å; N141-E143 VanDerWaalsContact O-N 3.08Å; N141-D144 WeakPolarHBondContact O-CB 3.34Å; N141-D144 PolarHBondContact O-N 3.44Å; N141-L145 PolarHBondContact O-N 3.44Å | ||
| 142 | A | 76.5 | Confident | 68.3 | Low | 72 Ų | 72 | 128 Ų | 128 | 60% | 0.595 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -28.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 143 | E | 77.1 | Confident | 69.9 | Low | 129 Ų | 129 | 129.1 Ų | 129.1 | 60% | 0.603 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -32.9 | 175.4 | -63.4 | 176.9 | 175 | 0 | 0 | 113.1 | N141 L145 L146 Y147 | N141-E143 PolarHBondContact O-N 2.99Å; N141-E143 VanDerWaalsContact O-N 3.08Å; E143-L145 VanDerWaalsContact C-N 3.29Å; E143-L145 PolarHBondContact O-N 2.8Å; E143-L146 PolarHBondContact O-N 2.85Å; E143-Y147 WeakPolarHBondContact O-CD2 3.32Å |
| 144 | D | 77.4 | Confident | 71.4 | Confident | 88 Ų | 88 | 126.5 Ų | 126.5 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -67.6 | -32.1 | 177.8 | -83.3 | -20.4 | 0 | 0 | 0 | 111.5 | K140 N141 L146 Y147 E148 | K140-D144 HydrophobicContact CB-CB 3.98Å; N141-D144 WeakPolarHBondContact O-CB 3.34Å; N141-D144 PolarHBondContact O-N 3.44Å; D144-L146 PolarHBondContact O-N 3.17Å; D144-Y147 PolarHBondContact O-N 3.34Å; D144-Y147 VanDerWaalsContact O-N 3.16Å; D144-E148 WeakPolarHBondContact O-CG 3.48Å; D144-E148 PolarHBondContact O-N 2.95Å |
| 145 | L | 77.7 | Confident | 72.6 | Confident | 101 Ų | 101 | 125 Ų | 125 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -65.3 | -26.5 | 177.5 | -66.9 | 169.9 | 0 | 0 | 0 | 112.9 | N141 E143 Y147 | N141-L145 PolarHBondContact O-N 3.44Å; E143-L145 VanDerWaalsContact C-N 3.29Å; E143-L145 PolarHBondContact O-N 2.8Å; L145-Y147 VanDerWaalsContact C-N 3.31Å |
| 146 | L | 82 | Confident | 73.4 | Confident | 146 Ų | 146 | 122.8 Ų | 122.8 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -74.1 | -23 | 176.2 | -77.8 | 151.3 | 0 | 0 | 0 | 112.6 | E143 D144 | E143-L146 PolarHBondContact O-N 2.85Å; D144-L146 PolarHBondContact O-N 3.17Å |
| 147 | Y | 81.1 | Confident | 74 | Confident | 195 Ų | 195 | 120 Ų | 120 | 77% | 0.765 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -97.6 | -0.5 | 178.6 | -65.1 | -72.1 | 0 | 0 | 0 | 113.2 | E143 D144 L145 L149 | E143-Y147 WeakPolarHBondContact O-CD2 3.32Å; D144-Y147 PolarHBondContact O-N 3.34Å; D144-Y147 VanDerWaalsContact O-N 3.16Å; L145-Y147 VanDerWaalsContact C-N 3.31Å; Y147-L149 PolarHBondContact O-N 3.25Å |
| 148 | E | 83.3 | Confident | 74.1 | Confident | 77 Ų | 77 | 118 Ų | 118 | 36% | 0.36 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 124.9 | 176 | -63.1 | -152.1 | 127.5 | 0 | 0 | 111.8 | K140 D144 | K140-E148 VanDerWaalsContact CD-OE1 3.27Å; K140-E148 WeakPolarHBondContact CD-OE1 3.47Å; K140-E148 VanDerWaalsContact CE-OE1 3.32Å; K140-E148 WeakPolarHBondContact CE-OE1 3.25Å; K140-E148 IonicContact NZ-OE1 3.35Å; K140-E148 PolarHBondContact NZ-OE1 3.43Å; K140-E148 IonicContact NZ-OE2 3.41Å; D144-E148 WeakPolarHBondContact O-CG 3.48Å; D144-E148 PolarHBondContact O-N 2.95Å |
| 149 | L | 82.9 | Confident | 73.8 | Confident | 110 Ų | 110 | 119.1 Ų | 119.1 | 58% | 0.576 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 141.9 | 173.9 | -66.5 | 173.2 | 0 | 0 | 0 | 110.6 | Y147 I153 | Y147-L149 PolarHBondContact O-N 3.25Å; L149-I153 HydrophobicContact CD1-CG2 4.47Å |
| 150 | P | 85.1 | Confident | 73.7 | Confident | 73 Ų | 73 | 120.8 Ų | 120.8 | 47% | 0.474 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 145.5 | 170.5 | -29.2 | 37 | 0 | 0 | 0 | 112.8 | N152 I153 R154 | P150-N152 WeakPolarHBondContact CB-OD1 3.38Å; P150-N152 PolarHBondContact O-N 3.29Å; P150-N152 VanDerWaalsContact O-N 3.1Å; P150-I153 HydrophobicContact CB-CD1 4.49Å; P150-I153 HydrophobicContact CG-CD1 4.39Å; P150-I153 CarbonylContact O-C 3.22Å; P150-I153 PolarHBondContact O-N 3.2Å; P150-R154 PolarHBondContact O-N 3.4Å |
| 151 | E | 76.8 | Confident | 73.2 | Confident | 174 Ų | 174 | 119.9 Ų | 119.9 | 81% | 0.813 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -31 | -173.6 | -65 | -156.2 | 155.1 | 0 | 0 | 113.9 | I153 R154 | E151-I153 VanDerWaalsContact C-N 3.3Å; E151-I153 PolarHBondContact O-N 2.84Å; E151-R154 PolarHBondContact O-N 3.16Å |
| 152 | N | 77.4 | Confident | 72.6 | Confident | 144 Ų | 144 | 123.1 Ų | 123.1 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -17.2 | 176.7 | 62.5 | -19.7 | 0 | 0 | 0 | 114.3 | P150 | P150-N152 WeakPolarHBondContact CB-OD1 3.38Å; P150-N152 PolarHBondContact O-N 3.29Å; P150-N152 VanDerWaalsContact O-N 3.1Å |
| 153 | I | 80.5 | Confident | 72.1 | Confident | 95 Ų | 95 | 126.2 Ų | 126.2 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.6 | -12.9 | 177.1 | -61.9 | 166.9 | 0 | 0 | 0 | 110.6 | L149 P150 E151 V155 | L149-I153 HydrophobicContact CD1-CG2 4.47Å; P150-I153 HydrophobicContact CB-CD1 4.49Å; P150-I153 HydrophobicContact CG-CD1 4.39Å; P150-I153 CarbonylContact O-C 3.22Å; P150-I153 PolarHBondContact O-N 3.2Å; E151-I153 VanDerWaalsContact C-N 3.3Å; E151-I153 PolarHBondContact O-N 2.84Å; I153-V155 VanDerWaalsContact C-N 3.29Å; I153-V155 PolarHBondContact O-N 3.28Å |
| 154 | R | 78.9 | Confident | 71.4 | Confident | 130 Ų | 130 | 126.5 Ų | 126.5 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | trans | -68.9 | 85.3 | 176.7 | -165.8 | 176.1 | -174.4 | 147.8 | 5.4 | 110.2 | P150 E151 N156 | P150-R154 PolarHBondContact O-N 3.4Å; E151-R154 PolarHBondContact O-N 3.16Å; R154-N156 PolarHBondContact O-N 2.82Å | ||
| 155 | V | 70.6 | Confident | 70.8 | Confident | 128 Ų | 128 | 126.7 Ų | 126.7 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | trans | -70.8 | 96.9 | 172.6 | -174.7 | 0 | 0 | 0 | 0 | 107.4 | I153 S157 | I153-V155 VanDerWaalsContact C-N 3.29Å; I153-V155 PolarHBondContact O-N 3.28Å; V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 3.5Å | ||
| 156 | N | 63.7 | Low | 70.6 | Confident | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 63% | 0.634 | S | S | * | * | trans | -65.3 | 93.5 | 168.3 | -71.4 | -13.6 | 0 | 0 | 0 | 107.5 | R154 A158 | R154-N156 PolarHBondContact O-N 2.82Å; N156-A158 HydrophobicContact CB-CB 4.41Å; N156-A158 PolarHBondContact O-N 2.84Å | ||
| 157 | S | 60.2 | Low | 70.3 | Confident | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | trans | -71.2 | 32.9 | 163.2 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | V155 K159 | V155-S157 VanDerWaalsContact C-N 3.26Å; V155-S157 PolarHBondContact O-N 3.5Å; S157-K159 PolarHBondContact O-N 2.87Å | ||
| 158 | A | 54.7 | Low | 70.1 | Confident | 74 Ų | 74 | 116.5 Ų | 116.5 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | trans | -57.7 | 112.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 104.7 | N156 K160 | N156-A158 HydrophobicContact CB-CB 4.41Å; N156-A158 PolarHBondContact O-N 2.84Å; A158-K160 VanDerWaalsContact C-N 3.25Å; A158-K160 PolarHBondContact O-N 3.28Å | ||
| 159 | K | 57.8 | Low | 69.6 | Low | 195 Ų | 195 | 119.3 Ų | 119.3 | 85% | 0.848 | 62% | 0.619 | S | S | * | * | trans | -43.8 | 93.1 | 176.8 | -60.8 | 169.1 | -179.5 | -179 | 0 | 107.5 | S157 T161 | S157-K159 PolarHBondContact O-N 2.87Å; K159-T161 VanDerWaalsContact C-N 3.25Å; K159-T161 PolarHBondContact O-N 3.37Å | ||
| 160 | K | 58.1 | Low | 69.2 | Low | 178 Ų | 178 | 120.9 Ų | 120.9 | 77% | 0.774 | 63% | 0.627 | S | S | * | * | trans | -60.4 | 106.9 | 160.1 | -68.7 | -177.2 | -179.6 | -179.5 | 0 | 101.8 | A158 E162 | A158-K160 VanDerWaalsContact C-N 3.25Å; A158-K160 PolarHBondContact O-N 3.28Å; K160-E162 PolarHBondContact O-N 3.45Å | ||
| 161 | T | 57.6 | Low | 68.9 | Low | 78 Ų | 78 | 121.9 Ų | 121.9 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | trans | -47.9 | 136 | -175.5 | 45.7 | 0 | 0 | 0 | 0 | 107.5 | K159 E163 M164 | K159-T161 VanDerWaalsContact C-N 3.25Å; K159-T161 PolarHBondContact O-N 3.37Å; T161-E163 PolarHBondContact O-N 2.97Å; T161-M164 PolarHBondContact O-N 2.85Å | ||
| 162 | E | 65.3 | Low | 69 | Low | 168 Ų | 168 | 115.2 Ų | 115.2 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -51.3 | -27.6 | -177.8 | -171.2 | 175.3 | 172.7 | 0 | 0 | 111.8 | K160 M164 L165 S166 | K160-E162 PolarHBondContact O-N 3.45Å; E162-M164 PolarHBondContact O-N 3.41Å; E162-L165 PolarHBondContact O-N 3.38Å; E162-S166 WeakPolarHBondContact O-CB 3.34Å; E162-S166 PolarHBondContact O-N 2.9Å; E162-S166 PolarHBondContact O-OG 3.04Å |
| 163 | E | 66.2 | Low | 69 | Low | 138 Ų | 138 | 114.5 Ų | 114.5 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.7 | -30.9 | 172.1 | -160.7 | 172.2 | -165.8 | 0 | 0 | 115 | T161 S166 N167 | T161-E163 PolarHBondContact O-N 2.97Å; E163-S166 WeakPolarHBondContact CA-OG 3.26Å; E163-S166 PolarHBondContact O-OG 2.87Å; E163-N167 WeakPolarHBondContact O-CB 3.39Å; E163-N167 PolarHBondContact O-N 3.18Å; E163-N167 PolarHBondContact O-ND2 3.25Å |
| 164 | M | 62.5 | Low | 68.9 | Low | 135 Ų | 135 | 113.9 Ų | 113.9 | 67% | 0.665 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.3 | -30.8 | 172.5 | -65.5 | -152.9 | 92 | 0 | 0 | 112.5 | T161 E162 Q168 | T161-M164 PolarHBondContact O-N 2.85Å; E162-M164 PolarHBondContact O-N 3.41Å; M164-Q168 WeakPolarHBondContact O-CB 3.41Å; M164-Q168 PolarHBondContact O-N 3.01Å; M164-Q168 VanDerWaalsContact O-N 3.13Å |
| 165 | L | 65.4 | Low | 69 | Low | 91 Ų | 91 | 116.5 Ų | 116.5 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.4 | -41 | 177.2 | -166.9 | 80.3 | 0 | 0 | 0 | 111 | E162 Q168 M169 | E162-L165 PolarHBondContact O-N 3.38Å; L165-Q168 PolarHBondContact O-N 3.39Å; L165-M169 WeakPolarHBondContact O-CG 3.35Å; L165-M169 PolarHBondContact O-N 3.11Å |
| 166 | S | 72.4 | Confident | 69.6 | Low | 50 Ų | 50 | 115.8 Ų | 115.8 | 35% | 0.35 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65 | -43.5 | 176.9 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | E162 E163 Q168 M169 L170 | E162-S166 WeakPolarHBondContact O-CB 3.34Å; E162-S166 PolarHBondContact O-N 2.9Å; E162-S166 PolarHBondContact O-OG 3.04Å; E163-S166 WeakPolarHBondContact CA-OG 3.26Å; E163-S166 PolarHBondContact O-OG 2.87Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 PolarHBondContact O-N 2.99Å; S166-M169 PolarHBondContact O-N 3.07Å; S166-M169 VanDerWaalsContact O-N 3.17Å; S166-L170 WeakPolarHBondContact O-CB 3.33Å; S166-L170 WeakPolarHBondContact O-CG 3.33Å; S166-L170 PolarHBondContact O-N 3.16Å |
| 167 | N | 75.1 | Confident | 70.5 | Confident | 91 Ų | 91 | 117.3 Ų | 117.3 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.6 | -36.9 | 173.2 | -77 | -33.9 | 0 | 0 | 0 | 112.1 | E163 L170 S171 | E163-N167 WeakPolarHBondContact O-CB 3.39Å; E163-N167 PolarHBondContact O-N 3.18Å; E163-N167 PolarHBondContact O-ND2 3.25Å; N167-L170 PolarHBondContact O-N 2.99Å; N167-S171 VanDerWaalsContact O-CB 3.26Å; N167-S171 WeakPolarHBondContact O-CB 3.37Å; N167-S171 PolarHBondContact O-N 3.26Å; N167-S171 PolarHBondContact O-OG 3.02Å |
| 168 | Q | 77.4 | Confident | 71.6 | Confident | 87 Ų | 87 | 118.7 Ų | 118.7 | 41% | 0.407 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.1 | -33.4 | 174 | -176.8 | 173.3 | 8.4 | 0 | 0 | 112.8 | M164 L165 S166 G172 | M164-Q168 WeakPolarHBondContact O-CB 3.41Å; M164-Q168 PolarHBondContact O-N 3.01Å; M164-Q168 VanDerWaalsContact O-N 3.13Å; L165-Q168 PolarHBondContact O-N 3.39Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 PolarHBondContact O-N 2.99Å; Q168-G172 CarbonylContact O-C 3.54Å; Q168-G172 VanDerWaalsContact O-C 3.22Å; Q168-G172 PolarHBondContact O-N 3.3Å; Q168-G172 VanDerWaalsContact O-O 3.14Å |
| 169 | M | 73.1 | Confident | 73.4 | Confident | 137 Ų | 137 | 117.3 Ų | 117.3 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.9 | -36.8 | 173.5 | -67 | -68.2 | -176.2 | 0 | 0 | 111.6 | L165 S166 | L165-M169 WeakPolarHBondContact O-CG 3.35Å; L165-M169 PolarHBondContact O-N 3.11Å; S166-M169 PolarHBondContact O-N 3.07Å; S166-M169 VanDerWaalsContact O-N 3.17Å |
| 170 | L | 74.5 | Confident | 75 | Confident | 142 Ų | 142 | 114.3 Ų | 114.3 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.9 | -37.5 | 178.6 | -76.2 | 163.2 | 0 | 0 | 0 | 113 | S166 N167 G172 | S166-L170 WeakPolarHBondContact O-CB 3.33Å; S166-L170 WeakPolarHBondContact O-CG 3.33Å; S166-L170 PolarHBondContact O-N 3.16Å; N167-L170 PolarHBondContact O-N 2.99Å; L170-G172 PolarHBondContact O-N 3.01Å |
| 171 | S | 78.3 | Confident | 76.7 | Confident | 94 Ų | 94 | 111.4 Ų | 111.4 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -80.5 | -4.2 | 177.5 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | N167 | N167-S171 VanDerWaalsContact O-CB 3.26Å; N167-S171 WeakPolarHBondContact O-CB 3.37Å; N167-S171 PolarHBondContact O-N 3.26Å; N167-S171 PolarHBondContact O-OG 3.02Å |
| 172 | G | 79.3 | Confident | 78.4 | Confident | 35 Ų | 35 | 109.2 Ų | 109.2 | 36% | 0.361 | 60% | 0.598 | S | S | . | * | trans | 74.5 | 151.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q168 L170 P174 | Q168-G172 CarbonylContact O-C 3.54Å; Q168-G172 VanDerWaalsContact O-C 3.22Å; Q168-G172 PolarHBondContact O-N 3.3Å; Q168-G172 VanDerWaalsContact O-O 3.14Å; L170-G172 PolarHBondContact O-N 3.01Å; G172-P174 WeakPolarHBondContact O-CD 3.26Å | ||
| 173 | I | 77.9 | Confident | 79.8 | Confident | 128 Ų | 128 | 108.3 Ų | 108.3 | 66% | 0.656 | 59% | 0.591 | S | S | * | * | trans | -61.5 | 123.6 | 172.4 | -59.6 | 172.3 | 0 | 0 | 0 | 106.9 | E175 | I173-E175 PolarHBondContact O-N 3.26Š| ||
| 174 | P | 78.9 | Confident | 81.2 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 53% | 0.532 | 58% | 0.579 | S | S | . | * | trans | -54.2 | 119.1 | 173 | -24.8 | 34 | 0 | 0 | 0 | 109.1 | G172 V176 | G172-P174 WeakPolarHBondContact O-CD 3.26Å; P174-V176 PolarHBondContact O-N 2.95Å | ||
| 175 | E | 79.5 | Confident | 82.8 | Confident | 185 Ų | 185 | 105.9 Ų | 105.9 | 86% | 0.864 | 58% | 0.578 | S | S | * | * | trans | -63.8 | 112.9 | 178.6 | -65.2 | -177.7 | 179.3 | 0 | 0 | 108.2 | I173 | I173-E175 PolarHBondContact O-N 3.26Š| ||
| 176 | V | 82.9 | Confident | 84.2 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 69% | 0.685 | 58% | 0.583 | S | S | * | * | trans | -99.5 | 110.2 | 167.9 | 179.5 | 0 | 0 | 0 | 0 | 105.9 | P174 L178 | P174-V176 PolarHBondContact O-N 2.95Å; V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 HydrophobicContact CG1-CD2 4.3Å; V176-L178 PolarHBondContact O-N 3.27Å | ||
| 177 | D | 82.9 | Confident | 85.3 | Confident | 154 Ų | 154 | 108.5 Ų | 108.5 | 82% | 0.824 | 59% | 0.588 | S | S | * | * | trans | -65.1 | 94.2 | 175.7 | -85.3 | -27.4 | 0 | 0 | 0 | 109.8 | G179 | D177-G179 PolarHBondContact O-N 2.88Š| ||
| 178 | L | 84.1 | Confident | 86.4 | Confident | 138 Ų | 138 | 108.6 Ų | 108.6 | 72% | 0.723 | 59% | 0.587 | S | S | * | * | trans | -66.7 | -3.4 | 176.2 | -61.2 | 175.7 | 0 | 0 | 0 | 112.9 | V176 A182 | V176-L178 VanDerWaalsContact C-N 3.35Å; V176-L178 HydrophobicContact CG1-CD2 4.3Å; V176-L178 PolarHBondContact O-N 3.27Å; L178-A182 HydrophobicContact CB-CB 4.02Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å | ||
| 179 | G | 91.5 | Very high | 87.3 | Confident | 45 Ų | 45 | 111.5 Ų | 111.5 | 46% | 0.464 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | 77.3 | 156.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D177 D181 A182 | D177-G179 PolarHBondContact O-N 2.88Å; G179-D181 PolarHBondContact O-N 3.33Å; G179-A182 PolarHBondContact O-N 3.49Å |
| 180 | I | 91.4 | Very high | 88.5 | Confident | 131 Ų | 131 | 109.1 Ų | 109.1 | 67% | 0.672 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.4 | -31.9 | 178.5 | -57.3 | 175.3 | 0 | 0 | 0 | 110.3 | A182 K183 I184 | I180-A182 PolarHBondContact O-N 3.49Å; I180-K183 WeakPolarHBondContact O-CB 3.45Å; I180-K183 PolarHBondContact O-N 3.42Å; I180-I184 HydrophobicContact CG2-CD1 3.74Å; I180-I184 HydrophobicContact CG2-CG1 4.13Å; I180-I184 WeakPolarHBondContact O-CG1 3.44Å; I180-I184 PolarHBondContact O-N 3.47Å |
| 181 | D | 94.3 | Very high | 89.5 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.2 | -38.1 | -179.9 | -63.4 | -24.7 | 0 | 0 | 0 | 113.2 | G179 K183 I184 K185 | G179-D181 PolarHBondContact O-N 3.33Å; D181-K183 VanDerWaalsContact C-N 3.35Å; D181-I184 PolarHBondContact O-N 3.28Å; D181-K185 WeakPolarHBondContact O-CB 3.37Å; D181-K185 WeakPolarHBondContact O-CG 3.22Å; D181-K185 PolarHBondContact O-N 2.85Å |
| 182 | A | 94.1 | Very high | 90.3 | Very high | 31 Ų | 31 | 110.1 Ų | 110.1 | 26% | 0.256 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L178 G179 I180 K185 N186 | L178-A182 HydrophobicContact CB-CB 4.02Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å; G179-A182 PolarHBondContact O-N 3.49Å; I180-A182 PolarHBondContact O-N 3.49Å; A182-K185 PolarHBondContact O-N 2.81Å; A182-N186 VanDerWaalsContact O-CG 3.28Å; A182-N186 PolarHBondContact O-N 2.84Å; A182-N186 PolarHBondContact O-ND2 3.11Å |
| 183 | K | 93.6 | Very high | 91.1 | Very high | 149 Ų | 149 | 111 Ų | 111 | 65% | 0.648 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.1 | -44.5 | 173.7 | -170.3 | 177.7 | -174.7 | 174.6 | 0 | 111.2 | I180 D181 N186 I187 | I180-K183 WeakPolarHBondContact O-CB 3.45Å; I180-K183 PolarHBondContact O-N 3.42Å; D181-K183 VanDerWaalsContact C-N 3.35Å; K183-N186 PolarHBondContact O-N 2.89Å; K183-I187 HydrophobicContact CG-CD1 4.14Å; K183-I187 VanDerWaalsContact O-CG1 3.25Å; K183-I187 WeakPolarHBondContact O-CG1 3.46Å; K183-I187 PolarHBondContact O-N 2.98Å |
| 184 | I | 95.7 | Very high | 92 | Very high | 76 Ų | 76 | 111.8 Ų | 111.8 | 39% | 0.39 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.7 | -45.4 | 177.1 | -70.5 | 169.4 | 0 | 0 | 0 | 110.8 | I180 D181 N186 I187 I188 | I180-I184 HydrophobicContact CG2-CD1 3.74Å; I180-I184 HydrophobicContact CG2-CG1 4.13Å; I180-I184 WeakPolarHBondContact O-CG1 3.44Å; I180-I184 PolarHBondContact O-N 3.47Å; D181-I184 PolarHBondContact O-N 3.28Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.01Å; I184-I187 WeakPolarHBondContact O-CB 3.41Å; I184-I187 PolarHBondContact O-N 2.87Å; I184-I187 VanDerWaalsContact O-N 3.12Å; I184-I188 HydrophobicContact CG2-CD1 3.64Å; I184-I188 HydrophobicContact CG2-CG1 4.23Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.35Å; I184-I188 PolarHBondContact O-N 3.18Å |
| 185 | K | 96.8 | Very high | 92.7 | Very high | 146 Ų | 146 | 110.5 Ų | 110.5 | 64% | 0.635 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.2 | -41.3 | 176.9 | -75.8 | 175 | -176.4 | 176.7 | 0 | 112.2 | D181 A182 I188 F189 | D181-K185 WeakPolarHBondContact O-CB 3.37Å; D181-K185 WeakPolarHBondContact O-CG 3.22Å; D181-K185 PolarHBondContact O-N 2.85Å; A182-K185 PolarHBondContact O-N 2.81Å; K185-I188 PolarHBondContact O-N 2.9Å; K185-F189 WeakPolarHBondContact O-CB 3.45Å; K185-F189 PolarHBondContact O-N 3.38Å |
| 186 | N | 95.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 108.2 Ų | 108.2 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65 | -40.3 | 175.5 | -68.9 | -16.5 | 0 | 0 | 0 | 111.8 | A182 K183 I184 F189 T190 | A182-N186 VanDerWaalsContact O-CG 3.28Å; A182-N186 PolarHBondContact O-N 2.84Å; A182-N186 PolarHBondContact O-ND2 3.11Å; K183-N186 PolarHBondContact O-N 2.89Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.01Å; N186-F189 PolarHBondContact O-N 3.42Å; N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 VanDerWaalsContact O-CG2 3.3Å; N186-T190 WeakPolarHBondContact O-CG2 3.35Å; N186-T190 PolarHBondContact O-N 3.29Å; N186-T190 PolarHBondContact O-OG1 3.09Å |
| 187 | I | 95.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 107.4 Ų | 107.4 | 46% | 0.456 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.9 | -48.9 | 175.1 | -68 | 164.1 | 0 | 0 | 0 | 110.3 | K183 I184 F189 T190 E191 | K183-I187 HydrophobicContact CG-CD1 4.14Å; K183-I187 VanDerWaalsContact O-CG1 3.25Å; K183-I187 WeakPolarHBondContact O-CG1 3.46Å; K183-I187 PolarHBondContact O-N 2.98Å; I184-I187 WeakPolarHBondContact O-CB 3.41Å; I184-I187 PolarHBondContact O-N 2.87Å; I184-I187 VanDerWaalsContact O-N 3.12Å; I187-F189 PolarHBondContact O-N 3.41Å; I187-T190 PolarHBondContact O-N 3.12Å; I187-T190 PolarHBondContact O-OG1 3.38Å; I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.78Å |
| 188 | I | 97.1 | Very high | 94.3 | Very high | 93 Ų | 93 | 103.6 Ų | 103.6 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 178.6 | -66.6 | 167.3 | 0 | 0 | 0 | 110.7 | I184 K185 T190 E191 E192 | I184-I188 HydrophobicContact CG2-CD1 3.64Å; I184-I188 HydrophobicContact CG2-CG1 4.23Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.35Å; I184-I188 PolarHBondContact O-N 3.18Å; K185-I188 PolarHBondContact O-N 2.9Å; I188-T190 PolarHBondContact O-N 3.04Å; I188-E191 PolarHBondContact O-N 2.85Å; I188-E192 WeakPolarHBondContact O-CB 3.46Å; I188-E192 PolarHBondContact O-N 3.39Å |
| 189 | F | 97 | Very high | 94.6 | Very high | 147 Ų | 147 | 102.7 Ų | 102.7 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | -178.3 | -173.2 | -98.3 | 0 | 0 | 0 | 112.1 | K185 N186 I187 E192 A193 | K185-F189 WeakPolarHBondContact O-CB 3.45Å; K185-F189 PolarHBondContact O-N 3.38Å; N186-F189 PolarHBondContact O-N 3.42Å; I187-F189 PolarHBondContact O-N 3.41Å; F189-E192 PolarHBondContact O-N 3.01Å; F189-A193 WeakPolarHBondContact O-CB 3.28Å; F189-A193 PolarHBondContact O-N 3.37Å |
| 190 | T | 96.7 | Very high | 94.4 | Very high | 87 Ų | 87 | 104 Ų | 104 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.5 | -33.4 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | N186 I187 I188 K194 | N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 VanDerWaalsContact O-CG2 3.3Å; N186-T190 WeakPolarHBondContact O-CG2 3.35Å; N186-T190 PolarHBondContact O-N 3.29Å; N186-T190 PolarHBondContact O-OG1 3.09Å; I187-T190 PolarHBondContact O-N 3.12Å; I187-T190 PolarHBondContact O-OG1 3.38Å; I188-T190 PolarHBondContact O-N 3.04Å; T190-K194 VanDerWaalsContact O-CB 3.22Å; T190-K194 WeakPolarHBondContact O-CB 3.46Å; T190-K194 PolarHBondContact O-N 2.83Å |
| 191 | E | 95.8 | Very high | 94.1 | Very high | 129 Ų | 129 | 102.8 Ų | 102.8 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -44 | 173.7 | -174.8 | 174.9 | -158.8 | 0 | 0 | 111.6 | I187 I188 K194 A195 | I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.78Å; I188-E191 PolarHBondContact O-N 2.85Å; E191-K194 PolarHBondContact O-N 3.37Å; E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 3.5Å |
| 192 | E | 96.3 | Very high | 93.5 | Very high | 129 Ų | 129 | 105.1 Ų | 105.1 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 176.4 | -173.2 | -176.8 | 174.9 | 0 | 0 | 111.1 | I188 F189 K194 A195 K196 | I188-E192 WeakPolarHBondContact O-CB 3.46Å; I188-E192 PolarHBondContact O-N 3.39Å; F189-E192 PolarHBondContact O-N 3.01Å; E192-K194 VanDerWaalsContact C-N 3.31Å; E192-K194 PolarHBondContact O-N 3.12Å; E192-A195 PolarHBondContact O-N 3.4Å; E192-K196 WeakPolarHBondContact O-CB 3.4Å; E192-K196 PolarHBondContact O-N 3.08Å |
| 193 | A | 95.4 | Very high | 92.7 | Very high | 53 Ų | 53 | 106.4 Ų | 106.4 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F189 L197 | F189-A193 WeakPolarHBondContact O-CB 3.28Å; F189-A193 PolarHBondContact O-N 3.37Å; A193-L197 WeakPolarHBondContact O-CB 3.48Å; A193-L197 PolarHBondContact O-N 3.45Å |
| 194 | K | 96.6 | Very high | 91.8 | Very high | 144 Ų | 144 | 105.8 Ų | 105.8 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -43.4 | 176.1 | -177.5 | 179.6 | 178.5 | -178.6 | 0 | 111.9 | T190 E191 E192 L197 L198 | T190-K194 VanDerWaalsContact O-CB 3.22Å; T190-K194 WeakPolarHBondContact O-CB 3.46Å; T190-K194 PolarHBondContact O-N 2.83Å; E191-K194 PolarHBondContact O-N 3.37Å; E192-K194 VanDerWaalsContact C-N 3.31Å; E192-K194 PolarHBondContact O-N 3.12Å; K194-L197 PolarHBondContact O-N 3.35Å; K194-L198 HydrophobicContact CG-CD1 4.26Å; K194-L198 PolarHBondContact O-N 3.31Å |
| 195 | A | 95 | Very high | 90.2 | Very high | 56 Ų | 56 | 110.5 Ų | 110.5 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E191 E192 L198 Q199 | E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 3.5Å; E192-A195 PolarHBondContact O-N 3.4Å; A195-L198 PolarHBondContact O-N 3.43Å; A195-Q199 WeakPolarHBondContact O-CB 3.49Å; A195-Q199 PolarHBondContact O-N 2.83Å |
| 196 | K | 94.8 | Very high | 88.6 | Confident | 136 Ų | 136 | 111.1 Ų | 111.1 | 59% | 0.591 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -46.2 | 175.2 | -173.3 | 177.2 | -179.7 | 177.5 | 0 | 112.1 | E192 L198 Q199 D200 | E192-K196 WeakPolarHBondContact O-CB 3.4Å; E192-K196 PolarHBondContact O-N 3.08Å; K196-L198 VanDerWaalsContact C-N 3.34Å; K196-L198 PolarHBondContact O-N 3.06Å; K196-Q199 WeakPolarHBondContact O-CB 3.21Å; K196-Q199 PolarHBondContact O-N 2.73Å; K196-D200 PolarHBondContact O-N 3.47Å |
| 197 | L | 91.6 | Very high | 86.8 | Confident | 96 Ų | 96 | 112.2 Ų | 112.2 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.8 | -171.2 | 163.4 | 0 | 0 | 0 | 111.7 | A193 K194 D200 Q201 | A193-L197 WeakPolarHBondContact O-CB 3.48Å; A193-L197 PolarHBondContact O-N 3.45Å; K194-L197 PolarHBondContact O-N 3.35Å; L197-D200 PolarHBondContact O-N 2.78Å; L197-Q201 HydrophobicContact CD2-CG 4.07Å; L197-Q201 WeakPolarHBondContact O-CG 3.37Å; L197-Q201 PolarHBondContact O-N 3.41Å |
| 198 | L | 91.4 | Very high | 85 | Confident | 75 Ų | 75 | 114.5 Ų | 114.5 | 39% | 0.393 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.6 | -38.8 | 175.7 | -109.5 | 129.4 | 0 | 0 | 0 | 112.5 | K194 A195 K196 Q201 R202 | K194-L198 HydrophobicContact CG-CD1 4.26Å; K194-L198 PolarHBondContact O-N 3.31Å; A195-L198 PolarHBondContact O-N 3.43Å; K196-L198 VanDerWaalsContact C-N 3.34Å; K196-L198 PolarHBondContact O-N 3.06Å; L198-Q201 PolarHBondContact O-N 3.29Å; L198-R202 WeakPolarHBondContact O-CB 3.43Å; L198-R202 VanDerWaalsContact O-CG 3.28Å; L198-R202 WeakPolarHBondContact O-CG 3.45Å; L198-R202 PolarHBondContact O-N 2.76Å |
| 199 | Q | 90.1 | Very high | 83 | Confident | 119 Ų | 119 | 112.7 Ų | 112.7 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -45.9 | 174.3 | -177.2 | 173.4 | -3.3 | 0 | 0 | 111 | A195 K196 Q201 R202 N203 | A195-Q199 WeakPolarHBondContact O-CB 3.49Å; A195-Q199 PolarHBondContact O-N 2.83Å; K196-Q199 WeakPolarHBondContact O-CB 3.21Å; K196-Q199 PolarHBondContact O-N 2.73Å; Q199-Q201 VanDerWaalsContact C-N 3.34Å; Q199-Q201 PolarHBondContact O-N 3.3Å; Q199-R202 WeakPolarHBondContact O-CB 3.39Å; Q199-R202 PolarHBondContact O-N 3.42Å; Q199-R202 VanDerWaalsContact O-N 3.11Å; Q199-N203 WeakPolarHBondContact O-CB 3.48Å; Q199-N203 VanDerWaalsContact O-CG 3.23Å; Q199-N203 PolarHBondContact O-N 3.47Å; Q199-N203 PolarHBondContact O-OD1 3.26Å |
| 200 | D | 87.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 111.5 Ų | 111.5 | 39% | 0.385 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.9 | -39 | 176.5 | -69.9 | -17.3 | 0 | 0 | 0 | 111.7 | K196 L197 R202 N203 K204 | K196-D200 PolarHBondContact O-N 3.47Å; L197-D200 PolarHBondContact O-N 2.78Å; D200-R202 VanDerWaalsContact C-N 3.35Å; D200-N203 PolarHBondContact O-N 3.36Å; D200-K204 WeakPolarHBondContact O-CB 3.44Å; D200-K204 WeakPolarHBondContact O-CG 3.42Å; D200-K204 PolarHBondContact O-N 3.19Å |
| 201 | Q | 85.1 | Confident | 79.2 | Confident | 105 Ų | 105 | 113.6 Ų | 113.6 | 49% | 0.491 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -37.9 | 172.7 | -77.1 | -170.2 | 23.7 | 0 | 0 | 112.8 | L197 L198 Q199 K205 | L197-Q201 HydrophobicContact CD2-CG 4.07Å; L197-Q201 WeakPolarHBondContact O-CG 3.37Å; L197-Q201 PolarHBondContact O-N 3.41Å; L198-Q201 PolarHBondContact O-N 3.29Å; Q199-Q201 VanDerWaalsContact C-N 3.34Å; Q199-Q201 PolarHBondContact O-N 3.3Å; Q201-K205 WeakPolarHBondContact O-CG 3.49Å; Q201-K205 PolarHBondContact O-N 3.09Å |
| 202 | R | 81.8 | Confident | 77.5 | Confident | 168 Ų | 168 | 116.4 Ų | 116.4 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.5 | -38.4 | 175.9 | -75.9 | 172 | 171.5 | -175.5 | -1.2 | 111.5 | L198 Q199 D200 K205 | L198-R202 WeakPolarHBondContact O-CB 3.43Å; L198-R202 VanDerWaalsContact O-CG 3.28Å; L198-R202 WeakPolarHBondContact O-CG 3.45Å; L198-R202 PolarHBondContact O-N 2.76Å; Q199-R202 WeakPolarHBondContact O-CB 3.39Å; Q199-R202 PolarHBondContact O-N 3.42Å; Q199-R202 VanDerWaalsContact O-N 3.11Å; D200-R202 VanDerWaalsContact C-N 3.35Å; R202-K205 PolarHBondContact O-N 2.99Å |
| 203 | N | 78.1 | Confident | 75.7 | Confident | 57 Ų | 57 | 114.1 Ų | 114.1 | 31% | 0.305 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.6 | -40.7 | 178.5 | -66.4 | -11.3 | 0 | 0 | 0 | 111.5 | Q199 D200 K205 K206 D207 | Q199-N203 WeakPolarHBondContact O-CB 3.48Å; Q199-N203 VanDerWaalsContact O-CG 3.23Å; Q199-N203 PolarHBondContact O-N 3.47Å; Q199-N203 PolarHBondContact O-OD1 3.26Å; D200-N203 PolarHBondContact O-N 3.36Å; N203-K205 PolarHBondContact O-N 3.41Å; N203-K206 CarbonylContact O-C 3.52Å; N203-K206 WeakPolarHBondContact O-CA 3.39Å; N203-K206 WeakPolarHBondContact O-CB 3.4Å; N203-K206 PolarHBondContact O-N 3.22Å; N203-D207 PolarHBondContact O-N 3.11Å |
| 204 | K | 73.1 | Confident | 74.5 | Confident | 137 Ų | 137 | 116.6 Ų | 116.6 | 60% | 0.596 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -56.9 | -32.8 | 173 | -75.8 | 170.6 | -178.4 | 179.1 | 0 | 113.8 | D200 K206 N208 | D200-K204 WeakPolarHBondContact O-CB 3.44Å; D200-K204 WeakPolarHBondContact O-CG 3.42Å; D200-K204 PolarHBondContact O-N 3.19Å; K204-K206 VanDerWaalsContact C-N 3.31Å; K204-N208 VanDerWaalsContact O-CG 3.3Å; K204-N208 PolarHBondContact O-N 3.42Å; K204-N208 PolarHBondContact O-ND2 3.39Å |
| 205 | K | 63.1 | Low | 73.1 | Confident | 175 Ų | 175 | 117 Ų | 117 | 76% | 0.761 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.5 | -22.4 | 174 | -69.8 | 178.5 | -177.2 | -176.8 | 0 | 113.2 | Q201 R202 N203 | Q201-K205 WeakPolarHBondContact O-CG 3.49Å; Q201-K205 PolarHBondContact O-N 3.09Å; R202-K205 PolarHBondContact O-N 2.99Å; N203-K205 PolarHBondContact O-N 3.41Å |
| 206 | K | 62.3 | Low | 71.8 | Confident | 158 Ų | 158 | 119.1 Ų | 119.1 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -90.6 | -36.7 | 177.1 | -67.7 | 177.4 | 177.6 | -177.5 | 0 | 111.9 | N203 K204 G209 | N203-K206 CarbonylContact O-C 3.52Å; N203-K206 WeakPolarHBondContact O-CA 3.39Å; N203-K206 WeakPolarHBondContact O-CB 3.4Å; N203-K206 PolarHBondContact O-N 3.22Å; K204-K206 VanDerWaalsContact C-N 3.31Å; K206-G209 PolarHBondContact O-N 3.37Å |
| 207 | D | 58.9 | Low | 70.1 | Confident | 131 Ų | 131 | 117.3 Ų | 117.3 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.7 | -12 | -174.8 | -64.5 | -23.3 | 0 | 0 | 0 | 113.9 | N203 G209 | N203-D207 PolarHBondContact O-N 3.11Å; D207-G209 PolarHBondContact O-N 3.49Å |
| 208 | N | 57.6 | Low | 68.5 | Low | 137 Ų | 137 | 116 Ų | 116 | 73% | 0.733 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 7 | 168.4 | -71.6 | -12.6 | 0 | 0 | 0 | 113.3 | K204 T210 | K204-N208 VanDerWaalsContact O-CG 3.3Å; K204-N208 PolarHBondContact O-N 3.42Å; K204-N208 PolarHBondContact O-ND2 3.39Å; N208-T210 PolarHBondContact O-N 2.78Å; N208-T210 VanDerWaalsContact O-N 3.12Å |
| 209 | G | 55.5 | Low | 66.9 | Low | 55 Ų | 55 | 116.9 Ų | 116.9 | 57% | 0.567 | 63% | 0.628 | S | S | * | * | trans | -80.2 | 81.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K206 D207 S211 | K206-G209 PolarHBondContact O-N 3.37Å; D207-G209 PolarHBondContact O-N 3.49Å; G209-S211 PolarHBondContact O-N 2.72Å | ||
| 210 | T | 56.3 | Low | 65.3 | Low | 123 Ų | 123 | 118.5 Ų | 118.5 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | trans | -58.3 | 110.9 | 159.6 | 54.5 | 0 | 0 | 0 | 0 | 107.4 | N208 F212 | N208-T210 PolarHBondContact O-N 2.78Å; N208-T210 VanDerWaalsContact O-N 3.12Å; T210-F212 PolarHBondContact O-N 2.81Å | ||
| 211 | S | 57.6 | Low | 63.9 | Low | 130 Ų | 130 | 123.3 Ų | 123.3 | 91% | 0.909 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 21.6 | -172 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | G209 | G209-S211 PolarHBondContact O-N 2.72Š|
| 212 | F | 58.8 | Low | 62.7 | Low | 189 Ų | 189 | 123.3 Ų | 123.3 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -12.5 | -173.9 | -164.7 | -108 | 0 | 0 | 0 | 114.3 | T210 | T210-F212 PolarHBondContact O-N 2.81Š|
| 213 | V | 60 | Low | 61.6 | Low | 80 Ų | 80 | 122.7 Ų | 122.7 | 49% | 0.485 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -138.2 | 117.6 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | T215 I217 | V213-T215 PolarHBondContact O-N 2.91Å; V213-I217 HydrophobicContact CG1-CD1 3.43Å; V213-I217 VanDerWaalsContact CG1-CD1 3.43Å; V213-I217 HydrophobicContact CG1-CG1 4.16Å |
| 214 | P | 68.4 | Low | 60.6 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | trans | -55.2 | 129 | 172.5 | -25.9 | 35 | 0 | 0 | 0 | 110.7 | N216 | P214-N216 PolarHBondContact O-N 3.08Š| ||
| 215 | T | 67.7 | Low | 59.8 | Low | 152 Ų | 152 | 127.3 Ų | 127.3 | 93% | 0.933 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -65.7 | 16 | -173.8 | 45.2 | 0 | 0 | 0 | 0 | 115 | V213 | V213-T215 PolarHBondContact O-N 2.91Š|
| 216 | N | 66.9 | Low | 59.5 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 54% | 0.54 | 70% | 0.698 | S | S | . | * | trans | -151.9 | 74.2 | 173.1 | -148.4 | -19.8 | 0 | 0 | 0 | 112.5 | P214 V219 | P214-N216 PolarHBondContact O-N 3.08Å; N216-V219 HydrophobicContact CB-CG2 3.64Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.22Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.26Å | ||
| 217 | I | 60 | Low | 58.8 | Low | 98 Ų | 98 | 132.1 Ų | 132.1 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -68.6 | -26.8 | 170.7 | -76 | 175.5 | 0 | 0 | 0 | 111.3 | V213 V219 Y221 | V213-I217 HydrophobicContact CG1-CD1 3.43Å; V213-I217 VanDerWaalsContact CG1-CD1 3.43Å; V213-I217 HydrophobicContact CG1-CG1 4.16Å; I217-V219 PolarHBondContact O-N 3.07Å; I217-Y221 HydrophobicContact CG2-CD2 3.83Å; I217-Y221 HydrophobicContact CG2-CE2 3.35Å; I217-Y221 VanDerWaalsContact O-CD2 3.26Å; I217-Y221 WeakPolarHBondContact O-CD2 3.08Å |
| 218 | A | 58.2 | Low | 58.3 | Low | 70 Ų | 70 | 135.4 Ų | 135.4 | 58% | 0.579 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -77.8 | -12.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | N220 | A218-N220 VanDerWaalsContact C-N 3.26Å; A218-N220 PolarHBondContact O-N 2.97Å |
| 219 | V | 57.4 | Low | 57.8 | Low | 93 Ų | 93 | 140 Ų | 140 | 56% | 0.564 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -72.3 | -20.5 | 176.7 | -134.1 | 0 | 0 | 0 | 0 | 112.9 | N216 I217 | N216-V219 HydrophobicContact CB-CG2 3.64Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.22Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.26Å; I217-V219 PolarHBondContact O-N 3.07Å |
| 220 | N | 57.9 | Low | 57.6 | Low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -96.6 | -5.1 | 179.4 | -81.5 | -7.3 | 0 | 0 | 0 | 114.1 | A218 | A218-N220 VanDerWaalsContact C-N 3.26Å; A218-N220 PolarHBondContact O-N 2.97Å |
| 221 | Y | 57.5 | Low | 57.2 | Low | 172 Ų | 172 | 147.2 Ų | 147.2 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | trans | -104.9 | 13.4 | -179.6 | -68.6 | -64.2 | 0 | 0 | 0 | 114.4 | I217 Q223 | I217-Y221 HydrophobicContact CG2-CD2 3.83Å; I217-Y221 HydrophobicContact CG2-CE2 3.35Å; I217-Y221 VanDerWaalsContact O-CD2 3.26Å; I217-Y221 WeakPolarHBondContact O-CD2 3.08Å; Y221-Q223 PolarHBondContact O-N 2.98Å | ||
| 222 | V | 60.3 | Low | 56.9 | Low | 106 Ų | 106 | 148 Ų | 148 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | trans | -67.9 | 85.1 | 157.6 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | H224 | V222-H224 PolarHBondContact O-N 3.39Š| ||
| 223 | Q | 58.2 | Low | 56.5 | Low | 155 Ų | 155 | 146.8 Ų | 146.8 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | -54.7 | 108.7 | 165.2 | -68.6 | -176.8 | -16.1 | 0 | 0 | 105.7 | Y221 N225 | Y221-Q223 PolarHBondContact O-N 2.98Å; Q223-N225 PolarHBondContact O-N 3.09Å | ||
| 224 | H | 55.9 | Low | 55.9 | Low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | trans | -58.1 | 111 | 162.9 | -70.8 | 81.2 | 0 | 0 | 0 | 105.2 | V222 R226 | V222-H224 PolarHBondContact O-N 3.39Å; H224-R226 PolarHBondContact O-N 3.3Å | ||
| 225 | N | 56.6 | Low | 54.8 | Low | 119 Ų | 119 | 147.5 Ų | 147.5 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -58.5 | 84.8 | 170.3 | -82.5 | -15.1 | 0 | 0 | 0 | 108.4 | Q223 F227 Y228 | Q223-N225 PolarHBondContact O-N 3.09Å; N225-F227 PolarHBondContact O-N 3.39Å; N225-F227 VanDerWaalsContact O-N 3.16Å; N225-Y228 HydrophobicContact CB-CD2 4.49Å | ||
| 226 | R | 57.3 | Low | 53.8 | Low | 241 Ų | 241 | 147.7 Ų | 147.7 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -0.2 | 179.1 | -148.4 | 178.7 | -163.4 | -146.7 | 3.1 | 111.9 | H224 | H224-R226 PolarHBondContact O-N 3.3Š|
| 227 | F | 48.3 | Very low | 52.8 | Low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 3.1 | -176.2 | -128.3 | -88.8 | 0 | 0 | 0 | 115 | N225 | N225-F227 PolarHBondContact O-N 3.39Å; N225-F227 VanDerWaalsContact O-N 3.16Å |
| 228 | Y | 46.9 | Very low | 52.1 | Low | 201 Ų | 201 | 155.9 Ų | 155.9 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | trans | -125.4 | 56.5 | 171.5 | -67.2 | -73.7 | 0 | 0 | 0 | 111.2 | N225 | N225-Y228 HydrophobicContact CB-CD2 4.49Š| ||
| 229 | R | 47.7 | Very low | 51.5 | Low | 234 Ų | 234 | 160.9 Ų | 160.9 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -119.8 | 65.7 | 162.2 | -71.6 | -151 | 177.6 | -162.6 | 1.2 | 110.1 | ||||
| 230 | E | 52.3 | Low | 50.7 | Low | 181 Ų | 181 | 162.5 Ų | 162.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -105.3 | 105.1 | 140.7 | -79.4 | -158.6 | 156.5 | 0 | 0 | 106.3 | ||||
| 231 | D | 47 | Very low | 50.3 | Low | 148 Ų | 148 | 166.7 Ų | 166.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 171.4 | 89.7 | 146.9 | -86.7 | -20.9 | 0 | 0 | 0 | 107.1 | N233 | D231-N233 PolarHBondContact O-N 3.33Å; D231-N233 VanDerWaalsContact O-N 3.1Å | ||
| 232 | V | 52.4 | Low | 49.6 | Very low | 146 Ų | 146 | 166.4 Ų | 166.4 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 22.5 | -177.7 | -149.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 233 | N | 49.8 | Very low | 48.9 | Very low | 163 Ų | 163 | 171.1 Ų | 171.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.7 | 41.9 | -172.3 | -115 | -7.9 | 0 | 0 | 0 | 116.1 | D231 | D231-N233 PolarHBondContact O-N 3.33Å; D231-N233 VanDerWaalsContact O-N 3.1Å |
| 234 | A | 47.8 | Very low | 48.4 | Very low | 79 Ų | 79 | 169.5 Ų | 169.5 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | -105.1 | 121.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q236 | A234-Q236 PolarHBondContact O-N 3.04Š| ||
| 235 | P | 44.7 | Very low | 48 | Very low | 121 Ų | 121 | 171 Ų | 171 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -65.4 | 124.1 | -179.3 | 24.5 | -31.7 | 0 | 0 | 0 | 110.9 | R237 | P235-R237 PolarHBondContact O-N 3.05Š| ||
| 236 | Q | 46.5 | Very low | 48 | Very low | 156 Ų | 156 | 174 Ų | 174 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | trans | -56.2 | 109.6 | 173.6 | -91.5 | -148.3 | -37.6 | 0 | 0 | 110.7 | A234 H238 | A234-Q236 PolarHBondContact O-N 3.04Å; Q236-H238 PolarHBondContact O-N 3.41Å; Q236-H238 VanDerWaalsContact O-N 3.16Å; Q236-H238 PolarHBondContact OE1-CE1 3.19Å; Q236-H238 PolarHBondContact OE1-NE2 2.86Å; Q236-H238 VanDerWaalsContact OE1-NE2 3.16Å | ||
| 237 | R | 46.1 | Very low | 48.2 | Very low | 225 Ų | 225 | 168.5 Ų | 168.5 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | -77.1 | 94.8 | 160.9 | -73.4 | -171.4 | 171.6 | -167.9 | -1.1 | 108.7 | P235 H239 | P235-R237 PolarHBondContact O-N 3.05Å; R237-H239 VanDerWaalsContact C-N 3.28Å; R237-H239 PolarHBondContact O-N 3.04Å | ||
| 238 | H | 45.2 | Very low | 48.7 | Very low | 147 Ų | 147 | 168.3 Ų | 168.3 | 68% | 0.681 | 81% | 0.811 | S | S | * | * | trans | -65.3 | 89.5 | 161 | -73.4 | -70 | 0 | 0 | 0 | 109 | Q236 N240 | Q236-H238 PolarHBondContact O-N 3.41Å; Q236-H238 VanDerWaalsContact O-N 3.16Å; Q236-H238 PolarHBondContact OE1-CE1 3.19Å; Q236-H238 PolarHBondContact OE1-NE2 2.86Å; Q236-H238 VanDerWaalsContact OE1-NE2 3.16Å; H238-N240 PolarHBondContact O-N 3.45Å | ||
| 239 | H | 45.5 | Very low | 49 | Very low | 175 Ų | 175 | 163.5 Ų | 163.5 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -82.8 | 108.6 | 161.3 | -101.4 | -48.7 | 0 | 0 | 0 | 109.4 | R237 | R237-H239 VanDerWaalsContact C-N 3.28Å; R237-H239 PolarHBondContact O-N 3.04Å | ||
| 240 | N | 40.5 | Very low | 49.7 | Very low | 126 Ų | 126 | 163.2 Ų | 163.2 | 67% | 0.674 | 81% | 0.812 | S | S | * | * | trans | -38.8 | 138 | 177.6 | -71.1 | -33.3 | 0 | 0 | 0 | 115.2 | H238 H242 | H238-N240 PolarHBondContact O-N 3.45Å; N240-H242 PolarHBondContact O-N 3.23Å | ||
| 241 | R | 49.3 | Very low | 50.1 | Low | 241 Ų | 241 | 160.7 Ų | 160.7 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -51.5 | 109.9 | 154.4 | -68.4 | 170.9 | 172.8 | 168.7 | -2.9 | 109.8 | ||||
| 242 | H | 42.6 | Very low | 50.4 | Low | 166 Ų | 166 | 161.8 Ų | 161.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -142 | 86.6 | 153.2 | -75.4 | -61.8 | 0 | 0 | 0 | 109.1 | N240 P244 | N240-H242 PolarHBondContact O-N 3.23Å; H242-P244 WeakPolarHBondContact O-CD 3.46Å | ||
| 243 | K | 45.8 | Very low | 50.2 | Low | 206 Ų | 206 | 166.5 Ų | 166.5 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 118.5 | 152.4 | -85.4 | -178.9 | 173.9 | -177.7 | 0 | 106.4 | K245 | K243-K245 PolarHBondContact O-N 3.43Š|
| 244 | P | 48.5 | Very low | 49.7 | Very low | 121 Ų | 121 | 166.1 Ų | 166.1 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.3 | 164.4 | 25.4 | -27.7 | 0 | 0 | 0 | 108 | H242 | H242-P244 WeakPolarHBondContact O-CD 3.46Š|
| 245 | K | 47.6 | Very low | 49.9 | Very low | 203 Ų | 203 | 165.1 Ų | 165.1 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 131.3 | 163.6 | -86.4 | 178.1 | 170.7 | -178.4 | 0 | 107.5 | K243 | K243-K245 PolarHBondContact O-N 3.43Š|
| 246 | E | 56.1 | Low | 49.7 | Very low | 182 Ų | 182 | 167.7 Ų | 167.7 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134 | 167.8 | -70.8 | 175.8 | 157 | 0 | 0 | 109.3 | E248 | E246-E248 PolarHBondContact O-N 2.86Š|
| 247 | P | 60.8 | Low | 49.5 | Very low | 125 Ų | 125 | 166.3 Ų | 166.3 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.1 | 173 | 28.4 | -31.1 | 0 | 0 | 0 | 109.5 | A249 | P247-A249 PolarHBondContact O-N 2.73Š|
| 248 | E | 59.9 | Low | 49.2 | Very low | 188 Ų | 188 | 164.7 Ų | 164.7 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.8 | 169.9 | -68 | -178.1 | 166.8 | 0 | 0 | 110.6 | E246 R250 | E246-E248 PolarHBondContact O-N 2.86Å; E248-R250 PolarHBondContact O-N 2.96Å |
| 249 | A | 53.9 | Low | 49.2 | Very low | 100 Ų | 100 | 167.4 Ų | 167.4 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 123.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P247 | P247-A249 PolarHBondContact O-N 2.73Š|
| 250 | R | 62.5 | Low | 49.2 | Very low | 229 Ų | 229 | 165.1 Ų | 165.1 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -70 | 139.5 | 171.7 | -62.8 | -179.2 | -179.1 | -169.4 | -0.5 | 109.4 | E248 L252 | E248-R250 PolarHBondContact O-N 2.96Å; R250-L252 PolarHBondContact O-N 2.75Å |
| 251 | P | 60.6 | Low | 48.9 | Very low | 127 Ų | 127 | 162.6 Ų | 162.6 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 125.8 | 174.5 | 25.8 | -32.3 | 0 | 0 | 0 | 110.4 | R253 | P251-R253 PolarHBondContact O-N 3.45Š|
| 252 | L | 51.4 | Low | 48.9 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 90% | 0.901 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121 | 173 | -104.3 | 72.7 | 0 | 0 | 0 | 109.7 | R250 | R250-L252 PolarHBondContact O-N 2.75Š|
| 253 | R | 48.3 | Very low | 48.6 | Very low | 244 Ų | 244 | 158.8 Ų | 158.8 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 129.9 | 160 | -89.1 | -168.2 | 173.2 | -164 | -1 | 108.6 | P251 | P251-R253 PolarHBondContact O-N 3.45Š|
| 254 | V | 40.2 | Very low | 48.1 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 95% | 0.945 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -74 | 122.5 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 255 | G | 52.8 | Low | 47.8 | Very low | 57 Ų | 57 | 154.7 Ų | 154.7 | 59% | 0.588 | 85% | 0.848 | S | S | * | * | trans | 169.1 | -18 | 174.1 | 0 | 0 | 0 | 0 | 0 | 121 | T257 | G255-T257 PolarHBondContact O-N 2.76Š| ||
| 256 | D | 39.1 | Very low | 47.3 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 94% | 0.941 | 85% | 0.847 | S | S | * | * | trans | -105.4 | 87.6 | -171.7 | -63.9 | -19.9 | 0 | 0 | 0 | 112.3 | ||||
| 257 | T | 42.6 | Very low | 47.2 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | -90.8 | 109.8 | 162.6 | 48.7 | 0 | 0 | 0 | 0 | 108.8 | G255 | G255-T257 PolarHBondContact O-N 2.76Š| ||
| 258 | E | 39.6 | Very low | 46.1 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -164.5 | 114.7 | 151.6 | -107.9 | 162.3 | -137.9 | 0 | 0 | 110.6 | ||||
| 259 | K | 46.2 | Very low | 45 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | trans | -72.7 | 147.4 | 167.7 | -73.3 | 173.7 | 173.5 | 175.7 | 0 | 109.1 | ||||
| 260 | P | 44.7 | Very low | 44.7 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -119.6 | 142.2 | 137.8 | 23.6 | -7.7 | 0 | 0 | 0 | 111.4 | ||||
| 261 | G | 35.2 | Very low | 43.8 | Very low | 72 Ų | 72 | 150.5 Ų | 150.5 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | -74.9 | -169 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 262 | P | 48.2 | Very low | 43.2 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -93.6 | 138.8 | -152.1 | 35.6 | -31.9 | 0 | 0 | 0 | 113.2 | ||||
| 263 | E | 36.8 | Very low | 43.3 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -126.6 | 127 | 164.1 | -84 | -170.3 | 160.7 | 0 | 0 | 111.8 | ||||
| 264 | A | 34.3 | Very low | 43.3 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 25.4 | 134.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 265 | V | 44.3 | Very low | 44.1 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -67 | 135 | 169.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 266 | E | 36.3 | Very low | 44.1 | Very low | 184 Ų | 184 | 154.2 Ų | 154.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -163.8 | 151.4 | 141.1 | -87.4 | -113.9 | 169.2 | 0 | 0 | 110.3 | ||||
| 267 | P | 54 | Low | 45.1 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -104.4 | 123.5 | -150.2 | 35.4 | -25.9 | 0 | 0 | 0 | 112.9 | ||||
| 268 | A | 37 | Very low | 46.4 | Very low | 83 Ų | 83 | 152.5 Ų | 152.5 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | -159.8 | 122.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 269 | N | 36.7 | Very low | 48 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 73.8 | 100.1 | 149.7 | -59.2 | -40 | 0 | 0 | 0 | 117.7 | R271 | N269-R271 PolarHBondContact O-N 3.4Š| ||
| 270 | H | 48 | Very low | 49.3 | Very low | 207 Ų | 207 | 142.4 Ų | 142.4 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | trans | -58.2 | 82.7 | 157.6 | -66.2 | -54.6 | 0 | 0 | 0 | 111.3 | ||||
| 271 | R | 43.6 | Very low | 50.9 | Low | 221 Ų | 221 | 142.2 Ų | 142.2 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -96.7 | 103.3 | 164.9 | -79.9 | -178.5 | 172.9 | 166.5 | -1.2 | 108.8 | N269 R273 | N269-R271 PolarHBondContact O-N 3.4Å; R271-R273 PolarHBondContact O-N 3.35Å | ||
| 272 | K | 48.3 | Very low | 53.1 | Low | 207 Ų | 207 | 142.8 Ų | 142.8 | 90% | 0.9 | 75% | 0.754 | S | S | * | * | trans | 8.8 | 102.8 | 157.3 | -59.1 | -176.3 | -179 | -178.6 | 0 | 115.4 | ||||
| 273 | R | 52.3 | Low | 54.5 | Low | 223 Ų | 223 | 143.3 Ų | 143.3 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | trans | -59.1 | 150.8 | 158.3 | -69.9 | -175.3 | 177.3 | -167.5 | -0.3 | 109.9 | R271 | R271-R273 PolarHBondContact O-N 3.35Š| ||
| 274 | P | 48.9 | Very low | 56.7 | Low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | trans | -56.9 | 139.4 | -179 | 23.1 | -33.3 | 0 | 0 | 0 | 111.6 | N276 | P274-N276 PolarHBondContact O-N 2.7Š| ||
| 275 | N | 57 | Low | 59 | Low | 131 Ų | 131 | 141.5 Ų | 141.5 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 6.6 | -170.1 | -103.8 | 0.7 | 0 | 0 | 0 | 116.4 | ||
| 276 | N | 52.9 | Low | 60.9 | Low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -5.2 | -170.4 | -100 | 17.4 | 0 | 0 | 0 | 115.1 | P274 | P274-N276 PolarHBondContact O-N 2.7Š|
| 277 | E | 60.7 | Low | 63 | Low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -128.7 | 31.4 | -174.6 | -64.7 | 179.4 | 178.5 | 0 | 0 | 113.1 | ||||
| 278 | K | 68.9 | Low | 64.3 | Low | 90 Ų | 90 | 138 Ų | 138 | 39% | 0.391 | 67% | 0.67 | S | S | . | * | trans | -81.5 | 127.3 | 169.2 | -68.7 | -173.1 | -178.6 | -176.7 | 0 | 109 | D282 E286 | K278-D282 HydrophobicContact CB-CB 4.14Å; K278-D282 HydrophobicContact CD-CB 4.48Å; K278-E286 VanDerWaalsContact NZ-CD 3.34Å; K278-E286 IonicContact NZ-OE1 2.9Å; K278-E286 PolarHBondContact NZ-OE1 2.95Å; K278-E286 IonicContact NZ-OE2 3.87Å; K278-E286 PolarHBondContact NZ-OE2 3.38Å | ||
| 279 | A | 74.6 | Confident | 66.6 | Low | 66 Ų | 66 | 140.3 Ų | 140.3 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | trans | -55.9 | 150.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | D281 D282 | A279-D281 PolarHBondContact O-N 2.94Å; A279-D282 WeakPolarHBondContact O-CB 3.5Å; A279-D282 PolarHBondContact O-N 3.08Å | ||
| 280 | T | 71.6 | Confident | 68.8 | Low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -55.1 | -29.6 | -178.1 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | Y283 H284 | T280-Y283 WeakPolarHBondContact O-CB 3.43Å; T280-Y283 PolarHBondContact O-N 2.68Å; T280-H284 PolarHBondContact O-N 3.16Å; T280-H284 PolarHBondContact O-ND1 3.44Å |
| 281 | D | 79.4 | Confident | 70.1 | Confident | 124 Ų | 124 | 137.5 Ų | 137.5 | 66% | 0.663 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.4 | -39.1 | 179.1 | -162.4 | 22.8 | 0 | 0 | 0 | 113 | A279 Y283 H284 Y285 | A279-D281 PolarHBondContact O-N 2.94Å; D281-Y283 PolarHBondContact O-N 2.97Å; D281-H284 PolarHBondContact O-N 3.18Å; D281-Y285 WeakPolarHBondContact O-CB 3.49Å; D281-Y285 PolarHBondContact O-N 3.33Å |
| 282 | D | 82.1 | Confident | 71.5 | Confident | 83 Ų | 83 | 131 Ų | 131 | 44% | 0.444 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.5 | -34.2 | 176.2 | -94.9 | -12.7 | 0 | 0 | 0 | 112.2 | K278 A279 E286 | K278-D282 HydrophobicContact CB-CB 4.14Å; K278-D282 HydrophobicContact CD-CB 4.48Å; A279-D282 WeakPolarHBondContact O-CB 3.5Å; A279-D282 PolarHBondContact O-N 3.08Å; D282-E286 WeakPolarHBondContact O-CB 3.39Å; D282-E286 WeakPolarHBondContact O-CG 3.46Å; D282-E286 PolarHBondContact O-N 2.99Å |
| 283 | Y | 76.9 | Confident | 72.6 | Confident | 144 Ų | 144 | 131.3 Ų | 131.3 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.4 | -42.9 | 174.9 | 176 | -94.3 | 0 | 0 | 0 | 111.9 | T280 D281 K287 | T280-Y283 WeakPolarHBondContact O-CB 3.43Å; T280-Y283 PolarHBondContact O-N 2.68Å; D281-Y283 PolarHBondContact O-N 2.97Å; Y283-K287 WeakPolarHBondContact O-CB 3.48Å; Y283-K287 PolarHBondContact O-N 3.16Å; Y283-K287 VanDerWaalsContact O-N 3.08Å |
| 284 | H | 82.9 | Confident | 73 | Confident | 112 Ų | 112 | 130.8 Ų | 130.8 | 52% | 0.519 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.7 | -38.1 | 180 | -68.3 | 77.8 | 0 | 0 | 0 | 110.9 | T280 D281 K287 F288 | T280-H284 PolarHBondContact O-N 3.16Å; T280-H284 PolarHBondContact O-ND1 3.44Å; D281-H284 PolarHBondContact O-N 3.18Å; H284-K287 PolarHBondContact O-N 3.05Å; H284-F288 WeakPolarHBondContact O-CB 3.44Å; H284-F288 PolarHBondContact O-N 3.36Å |
| 285 | Y | 82.8 | Confident | 73 | Confident | 146 Ų | 146 | 138.7 Ų | 138.7 | 57% | 0.573 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.8 | -45.2 | 174.8 | -171.9 | -106.2 | 0 | 0 | 0 | 112.5 | D281 K287 F288 K289 | D281-Y285 WeakPolarHBondContact O-CB 3.49Å; D281-Y285 PolarHBondContact O-N 3.33Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 3.18Å; Y285-F288 PolarHBondContact O-N 2.94Å; Y285-K289 WeakPolarHBondContact O-CB 3.49Å; Y285-K289 PolarHBondContact O-N 2.94Å |
| 286 | E | 83.4 | Confident | 73.8 | Confident | 105 Ų | 105 | 139.1 Ų | 139.1 | 49% | 0.491 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.3 | -38.5 | 174.4 | -80.3 | -169.9 | 172.9 | 0 | 0 | 112.1 | K278 D282 K290 | K278-E286 VanDerWaalsContact NZ-CD 3.34Å; K278-E286 IonicContact NZ-OE1 2.9Å; K278-E286 PolarHBondContact NZ-OE1 2.95Å; K278-E286 IonicContact NZ-OE2 3.87Å; K278-E286 PolarHBondContact NZ-OE2 3.38Å; D282-E286 WeakPolarHBondContact O-CB 3.39Å; D282-E286 WeakPolarHBondContact O-CG 3.46Å; D282-E286 PolarHBondContact O-N 2.99Å; E286-K290 VanDerWaalsContact O-CB 3.24Å; E286-K290 WeakPolarHBondContact O-CB 3.37Å; E286-K290 PolarHBondContact O-N 3.08Å |
| 287 | K | 80.3 | Confident | 74.9 | Confident | 134 Ų | 134 | 137.8 Ų | 137.8 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64 | -45 | 176.8 | -171.5 | -176.8 | -179.1 | -175.5 | 0 | 111.6 | Y283 H284 Y285 K290 M291 | Y283-K287 WeakPolarHBondContact O-CB 3.48Å; Y283-K287 PolarHBondContact O-N 3.16Å; Y283-K287 VanDerWaalsContact O-N 3.08Å; H284-K287 PolarHBondContact O-N 3.05Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 3.18Å; K287-K290 PolarHBondContact O-N 3.43Å; K287-M291 PolarHBondContact O-N 3.04Å |
| 288 | F | 81.4 | Confident | 75.7 | Confident | 123 Ų | 123 | 135.7 Ų | 135.7 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.4 | -48.6 | 176.5 | 177 | -103 | 0 | 0 | 0 | 111.7 | H284 Y285 K290 M291 N292 | H284-F288 WeakPolarHBondContact O-CB 3.44Å; H284-F288 PolarHBondContact O-N 3.36Å; Y285-F288 PolarHBondContact O-N 2.94Å; F288-K290 VanDerWaalsContact C-N 3.29Å; F288-K290 PolarHBondContact O-N 3.27Å; F288-M291 PolarHBondContact O-N 3.1Å; F288-N292 WeakPolarHBondContact CE1-ND2 3.04Å; F288-N292 VanDerWaalsContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CZ-ND2 3.23Å; F288-N292 PolarHBondContact O-N 3.34Å; F288-N292 VanDerWaalsContact O-N 3.08Å; F288-N292 PolarHBondContact O-ND2 3.17Å |
| 289 | K | 86.2 | Confident | 76.1 | Confident | 132 Ų | 132 | 138.4 Ų | 138.4 | 57% | 0.574 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.2 | -38.1 | 177.6 | -170.2 | 175.3 | -175.4 | 170.7 | 0 | 112.4 | Y285 M291 R293 | Y285-K289 WeakPolarHBondContact O-CB 3.49Å; Y285-K289 PolarHBondContact O-N 2.94Å; K289-M291 VanDerWaalsContact C-N 3.34Å; K289-R293 WeakPolarHBondContact O-CB 3.24Å; K289-R293 PolarHBondContact O-N 3.16Å |
| 290 | K | 82.8 | Confident | 76.2 | Confident | 153 Ų | 153 | 142.9 Ų | 142.9 | 67% | 0.665 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70 | -32 | 178.8 | -166.3 | 175.6 | -176.1 | 179.2 | 0 | 112.4 | E286 K287 F288 | E286-K290 VanDerWaalsContact O-CB 3.24Å; E286-K290 WeakPolarHBondContact O-CB 3.37Å; E286-K290 PolarHBondContact O-N 3.08Å; K287-K290 PolarHBondContact O-N 3.43Å; F288-K290 VanDerWaalsContact C-N 3.29Å; F288-K290 PolarHBondContact O-N 3.27Å |
| 291 | M | 74.6 | Confident | 76.5 | Confident | 127 Ų | 127 | 144.5 Ų | 144.5 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.9 | -42.8 | 176 | -164.7 | 164.6 | 73.1 | 0 | 0 | 111.4 | K287 F288 K289 R293 R294 | K287-M291 PolarHBondContact O-N 3.04Å; F288-M291 PolarHBondContact O-N 3.1Å; K289-M291 VanDerWaalsContact C-N 3.34Å; M291-R293 VanDerWaalsContact C-N 3.25Å; M291-R293 PolarHBondContact O-N 3.34Å; M291-R294 PolarHBondContact O-N 3.33Å |
| 292 | N | 72.7 | Confident | 76.3 | Confident | 85 Ų | 85 | 146 Ų | 146 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -76.8 | -7.6 | 178.5 | -67.8 | -30.5 | 0 | 0 | 0 | 114.5 | F288 R294 | F288-N292 WeakPolarHBondContact CE1-ND2 3.04Å; F288-N292 VanDerWaalsContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CE2-ND2 3.29Å; F288-N292 WeakPolarHBondContact CZ-ND2 3.23Å; F288-N292 PolarHBondContact O-N 3.34Å; F288-N292 VanDerWaalsContact O-N 3.08Å; F288-N292 PolarHBondContact O-ND2 3.17Å; N292-R294 VanDerWaalsContact C-N 3.33Å |
| 293 | R | 72.8 | Confident | 75.9 | Confident | 213 Ų | 213 | 150.8 Ų | 150.8 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -2.8 | 174.4 | -171.9 | 170.7 | 155.8 | 175.4 | -3 | 112.9 | K289 M291 | K289-R293 WeakPolarHBondContact O-CB 3.24Å; K289-R293 PolarHBondContact O-N 3.16Å; M291-R293 VanDerWaalsContact C-N 3.25Å; M291-R293 PolarHBondContact O-N 3.34Å |
| 294 | R | 59.5 | Low | 75.8 | Confident | 212 Ų | 212 | 151.4 Ų | 151.4 | 80% | 0.8 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 16.4 | 175.6 | -72 | -163.8 | 179.4 | -156.7 | 0.3 | 113.6 | M291 N292 | M291-R294 PolarHBondContact O-N 3.33Å; N292-R294 VanDerWaalsContact C-N 3.33Å |
| 295 | Y | 49.9 | Very low | 75.1 | Confident | 275 Ų | 275 | 155 Ų | 155 | 100% | 1.078 | 65% | 0.653 | S | S | * | * | trans | -122.9 | 0 | 164.3 | -77.9 | -80.7 | 0 | 0 | 0 | 109 |
Retrieved 295 of 295 residues in 861.4 ms
(Link to these results)