| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 49.6 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 100% | 1.222 | 80% | 0.797 | S | S | * | * | 0 | 107.1 | 0 | -58.2 | -170.9 | -157.2 | 0 | 0 | 105.2 | |||||
| 2 | G | 48.9 | Very low | 50.6 | Low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | 111 | 122.2 | 35.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | E | 45.9 | Very low | 53.2 | Low | 208 Ų | 208 | 131.2 Ų | 131.2 | 97% | 0.972 | 75% | 0.745 | S | S | * | * | trans | 80.5 | 131.3 | 171.1 | -55.7 | 174.7 | 160.7 | 0 | 0 | 116.1 | ||||
| 4 | G | 44.4 | Very low | 55.3 | Low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | cis | -173.7 | 120.4 | 2 | 0 | 0 | 0 | 0 | 0 | 106.4 | G6 | G4-G6 PolarHBondContact O-N 2.71Š| ||
| 5 | R | 53 | Low | 57.4 | Low | 243 Ų | 243 | 127 Ų | 127 | 92% | 0.917 | 72% | 0.722 | S | S | * | * | trans | -68.7 | 84 | 170 | -168.8 | -170.1 | -68.6 | -118.2 | 3.4 | 106.6 | D7 | R5-D7 PolarHBondContact O-N 2.81Š| ||
| 6 | G | 45.7 | Very low | 59.4 | Low | 61 Ų | 61 | 127.2 Ų | 127.2 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | trans | -89.2 | 88.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | G4 T8 | G4-G6 PolarHBondContact O-N 2.71Å; G6-T8 PolarHBondContact O-N 3.38Å | ||
| 7 | D | 49.6 | Very low | 61.2 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | -53.9 | 110.2 | 165 | -92.4 | -24.4 | 0 | 0 | 0 | 108.2 | R5 F9 | R5-D7 PolarHBondContact O-N 2.81Å; D7-F9 VanDerWaalsContact C-N 3.3Å; D7-F9 HydrophobicContact CB-CD2 4.42Å; D7-F9 PolarHBondContact O-N 3.5Å | ||
| 8 | T | 48.2 | Very low | 62.9 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | trans | -68.2 | 86.1 | 177.8 | -48.6 | 0 | 0 | 0 | 0 | 109 | G6 E10 | G6-T8 PolarHBondContact O-N 3.38Å; T8-E10 HydrophobicContact CG2-CB 3.55Å; T8-E10 PolarHBondContact O-N 3.09Å | ||
| 9 | F | 57.6 | Low | 64.5 | Low | 193 Ų | 193 | 124.5 Ų | 124.5 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -73.8 | 40.8 | 166.9 | -98.8 | -87.8 | 0 | 0 | 0 | 111.6 | D7 G11 | D7-F9 VanDerWaalsContact C-N 3.3Å; D7-F9 HydrophobicContact CB-CD2 4.42Å; D7-F9 PolarHBondContact O-N 3.5Å; F9-G11 PolarHBondContact O-N 3Å | ||
| 10 | E | 55.6 | Low | 65.9 | Low | 175 Ų | 175 | 122.4 Ų | 122.4 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 79.4 | -178.7 | -155.5 | 173.1 | -153.4 | 0 | 0 | 108.7 | T8 | T8-E10 HydrophobicContact CG2-CB 3.55Å; T8-E10 PolarHBondContact O-N 3.09Å |
| 11 | G | 58.5 | Low | 67.3 | Low | 55 Ų | 55 | 121.8 Ų | 121.8 | 57% | 0.567 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.6 | -3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | F9 R16 | F9-G11 PolarHBondContact O-N 3Å; G11-R16 PolarHBondContact O-NH1 3.21Å; G11-R16 VanDerWaalsContact O-NH1 3.11Å |
| 12 | V | 61.8 | Low | 70 | Confident | 69 Ų | 69 | 115.4 Ų | 115.4 | 42% | 0.418 | 63% | 0.633 | S | S | . | * | trans | -134.1 | 99.5 | -178.1 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | R16 L17 | V12-R16 HydrophobicContact CG1-CB 4.5Å; V12-L17 HydrophobicContact CG1-CD1 3.87Å; V12-L17 HydrophobicContact CG1-CD2 3.7Å; V12-L17 HydrophobicContact CG1-CG 3.43Å; V12-L17 VanDerWaalsContact CG1-CG 3.43Å | ||
| 13 | S | 83.3 | Confident | 72.2 | Confident | 73 Ų | 73 | 117.9 Ų | 117.9 | 51% | 0.51 | 63% | 0.626 | S | S | . | * | trans | -66.3 | 143.7 | 168 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | D15 R16 L17 | S13-D15 PolarHBondContact O-N 3.06Å; S13-D15 PolarHBondContact OG-N 3.32Å; S13-R16 WeakPolarHBondContact O-CA 3.45Å; S13-R16 VanDerWaalsContact O-CB 3.28Å; S13-R16 WeakPolarHBondContact O-CB 3.49Å; S13-R16 PolarHBondContact O-N 3.43Å; S13-L17 PolarHBondContact O-N 2.95Å | ||
| 14 | T | 83.6 | Confident | 74.6 | Confident | 95 Ų | 95 | 113.5 Ų | 113.5 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -50.6 | -32.3 | 174.9 | -49 | 0 | 0 | 0 | 0 | 112.6 | L17 K18 | T14-L17 PolarHBondContact O-N 3.4Å; T14-K18 WeakPolarHBondContact O-CG 3.06Å; T14-K18 PolarHBondContact O-N 2.87Å; T14-K18 VanDerWaalsContact O-N 3.15Å |
| 15 | D | 86.3 | Confident | 77.1 | Confident | 105 Ų | 105 | 113.6 Ų | 113.6 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.4 | -28.6 | 178.7 | -63.6 | -31.3 | 0 | 0 | 0 | 112.8 | S13 K18 L19 | S13-D15 PolarHBondContact O-N 3.06Å; S13-D15 PolarHBondContact OG-N 3.32Å; D15-K18 PolarHBondContact O-N 3.29Å; D15-K18 IonicContact OD1-NZ 3.6Å; D15-K18 PolarHBondContact OD1-NZ 2.96Å; D15-L19 PolarHBondContact O-N 3.37Å; D15-L19 VanDerWaalsContact O-N 3.13Å |
| 16 | R | 89.5 | Confident | 79.2 | Confident | 130 Ų | 130 | 107.8 Ų | 107.8 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -43.8 | 171.9 | -179.7 | -179.2 | 164.6 | -169.8 | 0.3 | 111.2 | G11 V12 S13 K18 L19 E20 | G11-R16 PolarHBondContact O-NH1 3.21Å; G11-R16 VanDerWaalsContact O-NH1 3.11Å; V12-R16 HydrophobicContact CG1-CB 4.5Å; S13-R16 WeakPolarHBondContact O-CA 3.45Å; S13-R16 VanDerWaalsContact O-CB 3.28Å; S13-R16 WeakPolarHBondContact O-CB 3.49Å; S13-R16 PolarHBondContact O-N 3.43Å; R16-K18 VanDerWaalsContact C-N 3.33Å; R16-K18 PolarHBondContact O-N 3.18Å; R16-L19 PolarHBondContact O-N 2.87Å; R16-E20 IonicContact CZ-OE1 3.3Å; R16-E20 IonicContact NE-OE1 3.39Å; R16-E20 PolarHBondContact NE-OE1 3.06Å; R16-E20 IonicContact NH2-OE1 2.9Å; R16-E20 PolarHBondContact NH2-OE1 3.2Å; R16-E20 PolarHBondContact O-N 3.43Å |
| 17 | L | 89.8 | Confident | 81.6 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.2 | -37.1 | 176.6 | -70.8 | 170.1 | 0 | 0 | 0 | 112.5 | V12 S13 T14 L19 L21 | V12-L17 HydrophobicContact CG1-CD1 3.87Å; V12-L17 HydrophobicContact CG1-CD2 3.7Å; V12-L17 HydrophobicContact CG1-CG 3.43Å; V12-L17 VanDerWaalsContact CG1-CG 3.43Å; S13-L17 PolarHBondContact O-N 2.95Å; T14-L17 PolarHBondContact O-N 3.4Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 2.95Å |
| 18 | K | 91.6 | Very high | 83.9 | Confident | 116 Ų | 116 | 107.3 Ų | 107.3 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 174.9 | -72.5 | 173.1 | -174.3 | 163.7 | 0 | 111.9 | T14 D15 R16 L22 | T14-K18 WeakPolarHBondContact O-CG 3.06Å; T14-K18 PolarHBondContact O-N 2.87Å; T14-K18 VanDerWaalsContact O-N 3.15Å; D15-K18 PolarHBondContact O-N 3.29Å; D15-K18 IonicContact OD1-NZ 3.6Å; D15-K18 PolarHBondContact OD1-NZ 2.96Å; R16-K18 VanDerWaalsContact C-N 3.33Å; R16-K18 PolarHBondContact O-N 3.18Å; K18-L22 WeakPolarHBondContact O-CG 3.42Å; K18-L22 PolarHBondContact O-N 3.2Å |
| 19 | L | 93.9 | Very high | 86.2 | Confident | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66 | -48.6 | 177 | -174.8 | 64.5 | 0 | 0 | 0 | 111.2 | D15 R16 L17 L21 L22 E23 | D15-L19 PolarHBondContact O-N 3.37Å; D15-L19 VanDerWaalsContact O-N 3.13Å; R16-L19 PolarHBondContact O-N 2.87Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.42Å; L19-L22 PolarHBondContact O-N 2.95Å; L19-E23 PolarHBondContact O-N 2.92Å |
| 20 | E | 92.5 | Very high | 88.1 | Confident | 82 Ų | 82 | 99.3 Ų | 99.3 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 176 | -72.5 | 172.7 | -171 | 0 | 0 | 111.3 | R16 L22 E23 E24 | R16-E20 IonicContact CZ-OE1 3.3Å; R16-E20 IonicContact NE-OE1 3.39Å; R16-E20 PolarHBondContact NE-OE1 3.06Å; R16-E20 IonicContact NH2-OE1 2.9Å; R16-E20 PolarHBondContact NH2-OE1 3.2Å; R16-E20 PolarHBondContact O-N 3.43Å; E20-L22 PolarHBondContact O-N 3.37Å; E20-E23 PolarHBondContact O-N 3.21Å; E20-E24 WeakPolarHBondContact O-CB 3.42Å; E20-E24 PolarHBondContact O-N 3.47Å |
| 21 | L | 95 | Very high | 90.1 | Very high | 110 Ų | 110 | 95.6 Ų | 95.6 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 175.5 | 179.1 | 63.2 | 0 | 0 | 0 | 112.8 | L17 L19 E24 I25 | L17-L21 VanDerWaalsContact O-CB 3.3Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 2.95Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.42Å; L21-E24 PolarHBondContact O-N 2.92Å; L21-I25 HydrophobicContact CD1-CD1 4.28Å; L21-I25 HydrophobicContact CD1-CG1 4.5Å; L21-I25 HydrophobicContact CG-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CD1 3.41Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.23Å |
| 22 | L | 95.8 | Very high | 92 | Very high | 115 Ų | 115 | 97.5 Ų | 97.5 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.2 | -40 | 177.4 | -75.9 | 172.2 | 0 | 0 | 0 | 111.8 | K18 L19 E20 I25 H26 | K18-L22 WeakPolarHBondContact O-CG 3.42Å; K18-L22 PolarHBondContact O-N 3.2Å; L19-L22 PolarHBondContact O-N 2.95Å; E20-L22 PolarHBondContact O-N 3.37Å; L22-I25 PolarHBondContact O-N 3.36Å; L22-H26 PolarHBondContact O-N 3.16Å |
| 23 | E | 95.3 | Very high | 93.7 | Very high | 119 Ų | 119 | 99.8 Ų | 99.8 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 174.5 | -172.7 | 172.8 | -168.5 | 0 | 0 | 111.1 | L19 E20 I25 H26 M27 | L19-E23 PolarHBondContact O-N 2.92Å; E20-E23 PolarHBondContact O-N 3.21Å; E23-I25 PolarHBondContact O-N 3.47Å; E23-H26 PolarHBondContact O-N 3.38Å; E23-M27 HydrophobicContact CG-CE 4.31Å; E23-M27 WeakPolarHBondContact O-CG 3.5Å; E23-M27 PolarHBondContact O-N 3.29Å |
| 24 | E | 95.8 | Very high | 94.4 | Very high | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.9 | -166 | 64.7 | -136.6 | 0 | 0 | 112.3 | E20 L21 M27 K28 | E20-E24 WeakPolarHBondContact O-CB 3.42Å; E20-E24 PolarHBondContact O-N 3.47Å; L21-E24 PolarHBondContact O-N 2.92Å; E24-M27 HydrophobicContact CB-CE 4.49Å; E24-M27 PolarHBondContact O-N 3.36Å; E24-M27 VanDerWaalsContact OE2-CE 3.26Å; E24-M27 WeakPolarHBondContact OE2-CE 3.42Å; E24-K28 VanDerWaalsContact O-CB 3.27Å; E24-K28 WeakPolarHBondContact O-CB 3.41Å; E24-K28 PolarHBondContact O-N 2.92Å |
| 25 | I | 96.2 | Very high | 95.1 | Very high | 69 Ų | 69 | 98.3 Ų | 98.3 | 35% | 0.354 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.1 | -71.1 | 165.3 | 0 | 0 | 0 | 110.6 | L21 L22 E23 K28 D29 | L21-I25 HydrophobicContact CD1-CD1 4.28Å; L21-I25 HydrophobicContact CD1-CG1 4.5Å; L21-I25 HydrophobicContact CG-CD1 4.08Å; L21-I25 WeakPolarHBondContact O-CD1 3.41Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.23Å; L22-I25 PolarHBondContact O-N 3.36Å; E23-I25 PolarHBondContact O-N 3.47Å; I25-K28 PolarHBondContact O-N 3.37Å; I25-D29 VanDerWaalsContact O-CG 3.3Å; I25-D29 PolarHBondContact O-N 3.09Å |
| 26 | H | 96.9 | Very high | 95.6 | Very high | 121 Ų | 121 | 98.4 Ų | 98.4 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | 178.2 | 179.2 | 60.7 | 0 | 0 | 0 | 112 | L22 E23 K28 D29 V30 | L22-H26 PolarHBondContact O-N 3.16Å; E23-H26 PolarHBondContact O-N 3.38Å; H26-K28 VanDerWaalsContact C-N 3.31Å; H26-K28 PolarHBondContact O-N 3.37Å; H26-D29 PolarHBondContact O-N 2.93Å; H26-V30 WeakPolarHBondContact O-CG2 3.38Å; H26-V30 PolarHBondContact O-N 3.32Å |
| 27 | M | 96.6 | Very high | 96 | Very high | 82 Ų | 82 | 99 Ų | 99 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 176.3 | -72.1 | -168.8 | -63.7 | 0 | 0 | 111.4 | E23 E24 D29 V30 V31 | E23-M27 HydrophobicContact CG-CE 4.31Å; E23-M27 WeakPolarHBondContact O-CG 3.5Å; E23-M27 PolarHBondContact O-N 3.29Å; E24-M27 HydrophobicContact CB-CE 4.49Å; E24-M27 PolarHBondContact O-N 3.36Å; E24-M27 VanDerWaalsContact OE2-CE 3.26Å; E24-M27 WeakPolarHBondContact OE2-CE 3.42Å; M27-D29 PolarHBondContact O-N 3.07Å; M27-V30 PolarHBondContact O-N 3.22Å; M27-V31 WeakPolarHBondContact O-CG2 3.5Å; M27-V31 PolarHBondContact O-N 2.99Å |
| 28 | K | 97.5 | Very high | 96.4 | Very high | 100 Ų | 100 | 98.9 Ų | 98.9 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 175.8 | -178.9 | -151.5 | 68.7 | 176.3 | 0 | 111.7 | E24 I25 H26 V31 Q32 | E24-K28 VanDerWaalsContact O-CB 3.27Å; E24-K28 WeakPolarHBondContact O-CB 3.41Å; E24-K28 PolarHBondContact O-N 2.92Å; I25-K28 PolarHBondContact O-N 3.37Å; H26-K28 VanDerWaalsContact C-N 3.31Å; H26-K28 PolarHBondContact O-N 3.37Å; K28-V31 PolarHBondContact O-N 3.45Å; K28-Q32 WeakPolarHBondContact O-CG 3.41Å; K28-Q32 PolarHBondContact O-N 3.45Å |
| 29 | D | 97.7 | Very high | 96.6 | Very high | 67 Ų | 67 | 100.9 Ų | 100.9 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 179 | -67.9 | -10.4 | 0 | 0 | 0 | 111.6 | I25 H26 M27 Q32 L33 | I25-D29 VanDerWaalsContact O-CG 3.3Å; I25-D29 PolarHBondContact O-N 3.09Å; H26-D29 PolarHBondContact O-N 2.93Å; M27-D29 PolarHBondContact O-N 3.07Å; D29-Q32 PolarHBondContact O-N 2.82Å; D29-L33 WeakPolarHBondContact O-CG 3.39Å; D29-L33 PolarHBondContact O-N 3.16Å |
| 30 | V | 97.5 | Very high | 96.8 | Very high | 72 Ų | 72 | 100.7 Ų | 100.7 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | H26 M27 Q32 L33 S34 | H26-V30 WeakPolarHBondContact O-CG2 3.38Å; H26-V30 PolarHBondContact O-N 3.32Å; M27-V30 PolarHBondContact O-N 3.22Å; V30-Q32 VanDerWaalsContact C-N 3.34Å; V30-Q32 PolarHBondContact O-N 3.2Å; V30-L33 PolarHBondContact O-N 3.45Å; V30-S34 PolarHBondContact O-N 3.22Å |
| 31 | V | 97.5 | Very high | 97 | Very high | 98 Ų | 98 | 102 Ų | 102 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -39.2 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | M27 K28 S34 M35 | M27-V31 WeakPolarHBondContact O-CG2 3.5Å; M27-V31 PolarHBondContact O-N 2.99Å; K28-V31 PolarHBondContact O-N 3.45Å; V31-S34 PolarHBondContact O-N 3.05Å; V31-M35 WeakPolarHBondContact O-CB 3.44Å; V31-M35 PolarHBondContact O-N 2.86Å |
| 32 | Q | 97.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 100.6 Ų | 100.6 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.5 | -75.5 | -177.5 | -10.3 | 0 | 0 | 112.3 | K28 D29 V30 M35 L36 | K28-Q32 WeakPolarHBondContact O-CG 3.41Å; K28-Q32 PolarHBondContact O-N 3.45Å; D29-Q32 PolarHBondContact O-N 2.82Å; V30-Q32 VanDerWaalsContact C-N 3.34Å; V30-Q32 PolarHBondContact O-N 3.2Å; Q32-M35 PolarHBondContact O-N 3.39Å; Q32-L36 WeakPolarHBondContact O-CG 3.39Å; Q32-L36 PolarHBondContact O-N 2.9Å |
| 33 | L | 97.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 97.6 Ų | 97.6 | 62% | 0.618 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.7 | -46.4 | 174.1 | -73.8 | 170.2 | 0 | 0 | 0 | 111.4 | D29 V30 M35 L36 E37 | D29-L33 WeakPolarHBondContact O-CG 3.39Å; D29-L33 PolarHBondContact O-N 3.16Å; V30-L33 PolarHBondContact O-N 3.45Å; L33-M35 VanDerWaalsContact C-N 3.32Å; L33-M35 PolarHBondContact O-N 2.95Å; L33-L36 PolarHBondContact O-N 3.39Å; L33-E37 PolarHBondContact O-N 3.3Å |
| 34 | S | 97.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 96 Ų | 96 | 37% | 0.371 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 112 | V30 V31 L36 E37 I38 | V30-S34 PolarHBondContact O-N 3.22Å; V31-S34 PolarHBondContact O-N 3.05Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.46Å; S34-E37 PolarHBondContact O-N 3.41Å; S34-I38 WeakPolarHBondContact O-CB 3.37Å; S34-I38 VanDerWaalsContact O-CG1 3.25Å; S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.46Å |
| 35 | M | 97.9 | Very high | 96.7 | Very high | 83 Ų | 83 | 95.1 Ų | 95.1 | 41% | 0.409 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 175.9 | -177.4 | -178.1 | 61.3 | 0 | 0 | 111.8 | V31 Q32 L33 R39 | V31-M35 WeakPolarHBondContact O-CB 3.44Å; V31-M35 PolarHBondContact O-N 2.86Å; Q32-M35 PolarHBondContact O-N 3.39Å; L33-M35 VanDerWaalsContact C-N 3.32Å; L33-M35 PolarHBondContact O-N 2.95Å; M35-R39 WeakPolarHBondContact O-CB 3.44Å; M35-R39 VanDerWaalsContact O-CG 3.26Å; M35-R39 WeakPolarHBondContact O-CG 3.43Å; M35-R39 PolarHBondContact O-N 3.49Å; M35-R39 PolarHBondContact SD-NH2 2.93Å; M35-R39 VanDerWaalsContact SD-NH2 3.4Å |
| 36 | L | 97.6 | Very high | 96.4 | Very high | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 175.8 | -73.4 | 172.5 | 0 | 0 | 0 | 111.5 | Q32 L33 S34 R39 H40 | Q32-L36 WeakPolarHBondContact O-CG 3.39Å; Q32-L36 PolarHBondContact O-N 2.9Å; L33-L36 PolarHBondContact O-N 3.39Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.46Å; L36-R39 PolarHBondContact O-N 3.49Å; L36-H40 WeakPolarHBondContact O-CB 3.16Å; L36-H40 PolarHBondContact O-N 3.27Å |
| 37 | E | 97.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 95.3 Ų | 95.3 | 67% | 0.673 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 176.3 | -172.7 | 175.5 | -171 | 0 | 0 | 111.6 | L33 S34 H40 K41 | L33-E37 PolarHBondContact O-N 3.3Å; S34-E37 PolarHBondContact O-N 3.41Å; E37-H40 PolarHBondContact O-N 2.93Å; E37-K41 WeakPolarHBondContact O-CB 3.44Å; E37-K41 PolarHBondContact O-N 3.03Å |
| 38 | I | 97.8 | Very high | 95.2 | Very high | 93 Ų | 93 | 94.3 Ų | 94.3 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 175.7 | -69.5 | 166.3 | 0 | 0 | 0 | 110.7 | S34 H40 K41 I42 | S34-I38 WeakPolarHBondContact O-CB 3.37Å; S34-I38 VanDerWaalsContact O-CG1 3.25Å; S34-I38 WeakPolarHBondContact O-CG1 3.48Å; S34-I38 PolarHBondContact O-N 3.46Å; I38-H40 VanDerWaalsContact C-N 3.33Å; I38-H40 PolarHBondContact O-N 3.05Å; I38-K41 PolarHBondContact O-N 3.42Å; I38-I42 HydrophobicContact CG2-CD1 3.81Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 VanDerWaalsContact O-CG1 3.27Å; I38-I42 WeakPolarHBondContact O-CG1 3.27Å; I38-I42 PolarHBondContact O-N 2.9Å |
| 39 | R | 97.8 | Very high | 94.3 | Very high | 158 Ų | 158 | 95.3 Ų | 95.3 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 176.9 | -75.7 | 176.6 | -171.2 | -143.4 | 5.2 | 111.9 | M35 L36 K41 I42 A43 | M35-R39 WeakPolarHBondContact O-CB 3.44Å; M35-R39 VanDerWaalsContact O-CG 3.26Å; M35-R39 WeakPolarHBondContact O-CG 3.43Å; M35-R39 PolarHBondContact O-N 3.49Å; M35-R39 PolarHBondContact SD-NH2 2.93Å; M35-R39 VanDerWaalsContact SD-NH2 3.4Å; L36-R39 PolarHBondContact O-N 3.49Å; R39-K41 VanDerWaalsContact C-N 3.35Å; R39-I42 PolarHBondContact O-N 3.31Å; R39-A43 PolarHBondContact O-N 3.5Å |
| 40 | H | 97.6 | Very high | 93 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 174.5 | -177.3 | -94.6 | 0 | 0 | 0 | 111 | L36 E37 I38 I42 A43 E44 | L36-H40 WeakPolarHBondContact O-CB 3.16Å; L36-H40 PolarHBondContact O-N 3.27Å; E37-H40 PolarHBondContact O-N 2.93Å; I38-H40 VanDerWaalsContact C-N 3.33Å; I38-H40 PolarHBondContact O-N 3.05Å; H40-I42 VanDerWaalsContact C-N 3.33Å; H40-I42 PolarHBondContact O-N 3.39Å; H40-A43 PolarHBondContact O-N 3.32Å; H40-E44 IonicContact CE1-OE1 3.44Å; H40-E44 PolarHBondContact CE1-OE1 2.95Å; H40-E44 IonicContact ND1-OE1 3.54Å; H40-E44 PolarHBondContact ND1-OE1 2.94Å; H40-E44 PolarHBondContact O-N 2.96Å |
| 41 | K | 97 | Very high | 91.7 | Very high | 110 Ų | 110 | 98.4 Ų | 98.4 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 178.3 | -163.1 | 72.1 | -162.2 | 160.4 | 0 | 112.6 | E37 I38 R39 E44 L45 | E37-K41 WeakPolarHBondContact O-CB 3.44Å; E37-K41 PolarHBondContact O-N 3.03Å; I38-K41 PolarHBondContact O-N 3.42Å; R39-K41 VanDerWaalsContact C-N 3.35Å; K41-E44 IonicContact NZ-OE2 2.95Å; K41-E44 PolarHBondContact NZ-OE2 3.42Å; K41-E44 PolarHBondContact O-N 2.89Å; K41-L45 HydrophobicContact CG-CD1 4.31Å; K41-L45 WeakPolarHBondContact O-CB 3.37Å; K41-L45 VanDerWaalsContact O-CG 3.25Å; K41-L45 WeakPolarHBondContact O-CG 3.4Å; K41-L45 PolarHBondContact O-N 3.04Å |
| 42 | I | 96 | Very high | 90 | Very high | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.415 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 172.9 | -70.8 | 165.7 | 0 | 0 | 0 | 109.8 | I38 R39 H40 E44 L45 E46 | I38-I42 HydrophobicContact CG2-CD1 3.81Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 VanDerWaalsContact O-CG1 3.27Å; I38-I42 WeakPolarHBondContact O-CG1 3.27Å; I38-I42 PolarHBondContact O-N 2.9Å; R39-I42 PolarHBondContact O-N 3.31Å; H40-I42 VanDerWaalsContact C-N 3.33Å; H40-I42 PolarHBondContact O-N 3.39Å; I42-E44 PolarHBondContact O-N 3.25Å; I42-L45 PolarHBondContact O-N 3.25Å; I42-E46 HydrophobicContact CG2-CG 4.23Å; I42-E46 WeakPolarHBondContact O-CB 3.48Å; I42-E46 WeakPolarHBondContact O-CG 3.33Å; I42-E46 PolarHBondContact O-N 2.89Å |
| 43 | A | 95.3 | Very high | 88.2 | Confident | 52 Ų | 52 | 102.4 Ų | 102.4 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | R39 H40 A47 | R39-A43 PolarHBondContact O-N 3.5Å; H40-A43 PolarHBondContact O-N 3.32Å; A43-A47 WeakPolarHBondContact O-CB 3.5Å; A43-A47 PolarHBondContact O-N 3.24Å |
| 44 | E | 93 | Very high | 86.5 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 172.8 | -74.8 | -176.9 | 168.2 | 0 | 0 | 112.1 | H40 K41 I42 A47 S48 | H40-E44 IonicContact CE1-OE1 3.44Å; H40-E44 PolarHBondContact CE1-OE1 2.95Å; H40-E44 IonicContact ND1-OE1 3.54Å; H40-E44 PolarHBondContact ND1-OE1 2.94Å; H40-E44 PolarHBondContact O-N 2.96Å; K41-E44 IonicContact NZ-OE2 2.95Å; K41-E44 PolarHBondContact NZ-OE2 3.42Å; K41-E44 PolarHBondContact O-N 2.89Å; I42-E44 PolarHBondContact O-N 3.25Å; E44-A47 PolarHBondContact O-N 3.32Å; E44-S48 WeakPolarHBondContact O-CB 3.32Å; E44-S48 PolarHBondContact O-N 3.21Å |
| 45 | L | 91.1 | Very high | 85 | Confident | 96 Ų | 96 | 99.5 Ų | 99.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | -179.8 | -72.4 | 172.3 | 0 | 0 | 0 | 110.9 | K41 I42 A47 S48 V49 | K41-L45 HydrophobicContact CG-CD1 4.31Å; K41-L45 WeakPolarHBondContact O-CB 3.37Å; K41-L45 VanDerWaalsContact O-CG 3.25Å; K41-L45 WeakPolarHBondContact O-CG 3.4Å; K41-L45 PolarHBondContact O-N 3.04Å; I42-L45 PolarHBondContact O-N 3.25Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-S48 PolarHBondContact O-N 3.33Å; L45-S48 PolarHBondContact O-OG 3.18Å; L45-V49 WeakPolarHBondContact O-CG2 3.05Å; L45-V49 PolarHBondContact O-N 3.46Å |
| 46 | E | 88.7 | Confident | 84 | Confident | 129 Ų | 129 | 99.2 Ų | 99.2 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.4 | -46.5 | 174.6 | -73.9 | 175.5 | 164.2 | 0 | 0 | 111.5 | I42 S48 V49 N50 | I42-E46 HydrophobicContact CG2-CG 4.23Å; I42-E46 WeakPolarHBondContact O-CB 3.48Å; I42-E46 WeakPolarHBondContact O-CG 3.33Å; I42-E46 PolarHBondContact O-N 2.89Å; E46-S48 VanDerWaalsContact C-N 3.34Å; E46-S48 PolarHBondContact O-N 3.27Å; E46-V49 PolarHBondContact O-N 3.36Å; E46-N50 WeakPolarHBondContact O-CB 3.41Å; E46-N50 PolarHBondContact O-N 3.4Å |
| 47 | A | 87.2 | Confident | 83.5 | Confident | 65 Ų | 65 | 97.9 Ų | 97.9 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A43 E44 L45 N50 S51 | A43-A47 WeakPolarHBondContact O-CB 3.5Å; A43-A47 PolarHBondContact O-N 3.24Å; E44-A47 PolarHBondContact O-N 3.32Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-N50 PolarHBondContact O-N 3.48Å; A47-S51 PolarHBondContact O-N 2.95Å; A47-S51 VanDerWaalsContact O-N 3.08Å |
| 48 | S | 82.3 | Confident | 83.1 | Confident | 62 Ų | 62 | 99.1 Ų | 99.1 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 177 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | E44 L45 E46 S51 | E44-S48 WeakPolarHBondContact O-CB 3.32Å; E44-S48 PolarHBondContact O-N 3.21Å; L45-S48 PolarHBondContact O-N 3.33Å; L45-S48 PolarHBondContact O-OG 3.18Å; E46-S48 VanDerWaalsContact C-N 3.34Å; E46-S48 PolarHBondContact O-N 3.27Å; S48-S51 WeakPolarHBondContact O-CB 3.34Å; S48-S51 PolarHBondContact O-N 2.75Å; S48-S51 PolarHBondContact O-OG 2.95Å |
| 49 | V | 77.8 | Confident | 82.9 | Confident | 121 Ų | 121 | 99.5 Ų | 99.5 | 73% | 0.733 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.9 | -37.9 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L45 E46 S51 | L45-V49 WeakPolarHBondContact O-CG2 3.05Å; L45-V49 PolarHBondContact O-N 3.46Å; E46-V49 PolarHBondContact O-N 3.36Å; V49-S51 PolarHBondContact O-N 3.43Å |
| 50 | N | 71.4 | Confident | 82.7 | Confident | 132 Ų | 132 | 95.7 Ų | 95.7 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -6.9 | 176.7 | -125.2 | 19.9 | 0 | 0 | 0 | 113.6 | E46 A47 E52 | E46-N50 WeakPolarHBondContact O-CB 3.41Å; E46-N50 PolarHBondContact O-N 3.4Å; A47-N50 PolarHBondContact O-N 3.48Å; N50-E52 PolarHBondContact O-N 3.43Å |
| 51 | S | 69.1 | Low | 82.5 | Confident | 71 Ų | 71 | 98.7 Ų | 98.7 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | trans | -73.7 | 74.5 | 168.5 | 79.1 | 0 | 0 | 0 | 0 | 109.5 | A47 S48 V49 H53 | A47-S51 PolarHBondContact O-N 2.95Å; A47-S51 VanDerWaalsContact O-N 3.08Å; S48-S51 WeakPolarHBondContact O-CB 3.34Å; S48-S51 PolarHBondContact O-N 2.75Å; S48-S51 PolarHBondContact O-OG 2.95Å; V49-S51 PolarHBondContact O-N 3.43Å; S51-H53 PolarHBondContact O-N 3.33Å | ||
| 52 | E | 61.4 | Low | 82.5 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -10.2 | 178.1 | -86.6 | -176.5 | 161.7 | 0 | 0 | 114.8 | N50 A54 G55 N56 | N50-E52 PolarHBondContact O-N 3.43Å; E52-A54 PolarHBondContact O-N 3.34Å; E52-G55 PolarHBondContact O-N 3.03Å; E52-N56 WeakPolarHBondContact O-CB 3.39Å; E52-N56 VanDerWaalsContact O-CG 3.32Å; E52-N56 PolarHBondContact O-N 3.41Å; E52-N56 PolarHBondContact O-ND2 2.92Å |
| 53 | H | 60.8 | Low | 82.5 | Confident | 143 Ų | 143 | 101.1 Ų | 101.1 | 66% | 0.662 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.4 | -47 | -174.5 | -160.5 | 59.3 | 0 | 0 | 0 | 112.6 | S51 G55 N56 E57 | S51-H53 PolarHBondContact O-N 3.33Å; H53-G55 PolarHBondContact O-N 2.94Å; H53-N56 PolarHBondContact O-N 3.05Å; H53-E57 IonicContact CD2-OE1 2.63Å; H53-E57 PolarHBondContact CD2-OE1 3.14Å; H53-E57 IonicContact NE2-OE1 2.64Å; H53-E57 WeakPolarHBondContact O-CG 3.39Å; H53-E57 PolarHBondContact O-N 3.32Å |
| 54 | A | 61.3 | Low | 82.6 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.1 | -32.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E52 | E52-A54 PolarHBondContact O-N 3.34Å |
| 55 | G | 66.5 | Low | 82.8 | Confident | 37 Ų | 37 | 103.1 Ų | 103.1 | 38% | 0.381 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.1 | -23.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E52 H53 W58 | E52-G55 PolarHBondContact O-N 3.03Å; H53-G55 PolarHBondContact O-N 2.94Å; G55-W58 PolarHBondContact O-NE1 2.97Å |
| 56 | N | 77.2 | Confident | 83.2 | Confident | 78 Ų | 78 | 103 Ų | 103 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -93.8 | -20.3 | -179.4 | -71.4 | -25.4 | 0 | 0 | 0 | 113.2 | E52 H53 T60 | E52-N56 WeakPolarHBondContact O-CB 3.39Å; E52-N56 VanDerWaalsContact O-CG 3.32Å; E52-N56 PolarHBondContact O-N 3.41Å; E52-N56 PolarHBondContact O-ND2 2.92Å; H53-N56 PolarHBondContact O-N 3.05Å; N56-T60 WeakPolarHBondContact O-CB 3.32Å; N56-T60 PolarHBondContact O-N 2.85Å; N56-T60 PolarHBondContact O-OG1 3.12Å |
| 57 | E | 85.8 | Confident | 83.6 | Confident | 79 Ų | 79 | 102.6 Ų | 102.6 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 177.6 | -84.2 | -177.5 | -137.4 | 0 | 0 | 113.4 | H53 K59 T60 R61 | H53-E57 IonicContact CD2-OE1 2.63Å; H53-E57 PolarHBondContact CD2-OE1 3.14Å; H53-E57 IonicContact NE2-OE1 2.64Å; H53-E57 WeakPolarHBondContact O-CG 3.39Å; H53-E57 PolarHBondContact O-N 3.32Å; E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 PolarHBondContact O-N 2.96Å; E57-T60 PolarHBondContact O-N 3.35Å; E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 WeakPolarHBondContact O-CG 3.34Å; E57-R61 PolarHBondContact O-N 3.44Å; E57-R61 IonicContact OE2-NH2 3.45Å |
| 58 | W | 90.7 | Very high | 84.1 | Confident | 169 Ų | 169 | 103.3 Ų | 103.3 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -36.8 | -178.8 | 70.5 | -95.5 | 0 | 0 | 0 | 111.3 | G55 R61 Y62 | G55-W58 PolarHBondContact O-NE1 2.97Å; W58-R61 PolarHBondContact O-N 3.45Å; W58-Y62 VanDerWaalsContact O-CB 3.3Å; W58-Y62 WeakPolarHBondContact O-CB 3.41Å; W58-Y62 PolarHBondContact O-N 3.29Å |
| 59 | K | 92.9 | Very high | 84.9 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 176.3 | -176.6 | 176.5 | 176.7 | -178.6 | 0 | 111.1 | E57 R61 Y62 E63 | E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 PolarHBondContact O-N 2.96Å; K59-R61 VanDerWaalsContact C-N 3.32Å; K59-R61 PolarHBondContact O-N 3.12Å; K59-Y62 PolarHBondContact O-N 2.96Å; K59-E63 WeakPolarHBondContact CE-OE1 3.36Å; K59-E63 HydrophobicContact CG-CG 4.49Å; K59-E63 WeakPolarHBondContact O-CB 2.85Å; K59-E63 WeakPolarHBondContact O-CG 3.32Å; K59-E63 PolarHBondContact O-N 2.95Å |
| 60 | T | 92.9 | Very high | 85.9 | Confident | 78 Ų | 78 | 101.4 Ų | 101.4 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | N56 E57 E63 T64 | N56-T60 WeakPolarHBondContact O-CB 3.32Å; N56-T60 PolarHBondContact O-N 2.85Å; N56-T60 PolarHBondContact O-OG1 3.12Å; E57-T60 PolarHBondContact O-N 3.35Å; T60-E63 PolarHBondContact O-N 3.45Å; T60-T64 WeakPolarHBondContact O-CB 3.26Å; T60-T64 PolarHBondContact O-N 3.12Å; T60-T64 PolarHBondContact O-OG1 3.44Å |
| 61 | R | 95.3 | Very high | 87.2 | Confident | 176 Ų | 176 | 99.6 Ų | 99.6 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 176 | -72.6 | -177 | -168.9 | -161.3 | 7.6 | 111.7 | E57 W58 K59 T64 Q65 | E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 WeakPolarHBondContact O-CG 3.34Å; E57-R61 PolarHBondContact O-N 3.44Å; E57-R61 IonicContact OE2-NH2 3.45Å; W58-R61 PolarHBondContact O-N 3.45Å; K59-R61 VanDerWaalsContact C-N 3.32Å; K59-R61 PolarHBondContact O-N 3.12Å; R61-T64 PolarHBondContact O-N 3.05Å; R61-Q65 VanDerWaalsContact O-CB 3.29Å; R61-Q65 WeakPolarHBondContact O-CB 3.27Å; R61-Q65 PolarHBondContact O-N 3.35Å |
| 62 | Y | 95.8 | Very high | 88.6 | Confident | 141 Ų | 141 | 99.9 Ų | 99.9 | 55% | 0.553 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 177.2 | 174 | -100.2 | 0 | 0 | 0 | 111.6 | W58 K59 Q65 M66 | W58-Y62 VanDerWaalsContact O-CB 3.3Å; W58-Y62 WeakPolarHBondContact O-CB 3.41Å; W58-Y62 PolarHBondContact O-N 3.29Å; K59-Y62 PolarHBondContact O-N 2.96Å; Y62-Q65 PolarHBondContact O-N 3.13Å; Y62-M66 HydrophobicContact CD1-CG 4.32Å; Y62-M66 HydrophobicContact CD2-CG 4.44Å; Y62-M66 HydrophobicContact CE1-CG 3.85Å; Y62-M66 HydrophobicContact CE2-CG 3.97Å; Y62-M66 HydrophobicContact CE2-SD 4.23Å; Y62-M66 WeakPolarHBondContact O-CG 3.32Å; Y62-M66 PolarHBondContact O-N 3.46Å |
| 63 | E | 96.1 | Very high | 90.3 | Very high | 101 Ų | 101 | 99.5 Ų | 99.5 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 178.3 | -72.3 | 171.6 | 175 | 0 | 0 | 111.5 | K59 T60 Q65 M66 E67 | K59-E63 WeakPolarHBondContact CE-OE1 3.36Å; K59-E63 HydrophobicContact CG-CG 4.49Å; K59-E63 WeakPolarHBondContact O-CB 2.85Å; K59-E63 WeakPolarHBondContact O-CG 3.32Å; K59-E63 PolarHBondContact O-N 2.95Å; T60-E63 PolarHBondContact O-N 3.45Å; E63-Q65 VanDerWaalsContact C-N 3.32Å; E63-Q65 PolarHBondContact O-N 2.99Å; E63-M66 PolarHBondContact O-N 3.14Å; E63-E67 PolarHBondContact O-N 2.87Å |
| 64 | T | 97 | Very high | 92.1 | Very high | 86 Ų | 86 | 98.8 Ų | 98.8 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 174.2 | -57 | 0 | 0 | 0 | 0 | 111.8 | T60 R61 E67 L68 | T60-T64 WeakPolarHBondContact O-CB 3.26Å; T60-T64 PolarHBondContact O-N 3.12Å; T60-T64 PolarHBondContact O-OG1 3.44Å; R61-T64 PolarHBondContact O-N 3.05Å; T64-E67 PolarHBondContact O-N 2.81Å; T64-L68 PolarHBondContact O-N 3.4Å |
| 65 | Q | 98 | Very high | 93.9 | Very high | 95 Ų | 95 | 100.6 Ų | 100.6 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 179.1 | -174 | 63.7 | 61.8 | 0 | 0 | 111.7 | R61 Y62 E63 E67 L68 N69 | R61-Q65 VanDerWaalsContact O-CB 3.29Å; R61-Q65 WeakPolarHBondContact O-CB 3.27Å; R61-Q65 PolarHBondContact O-N 3.35Å; Y62-Q65 PolarHBondContact O-N 3.13Å; E63-Q65 VanDerWaalsContact C-N 3.32Å; E63-Q65 PolarHBondContact O-N 2.99Å; Q65-E67 VanDerWaalsContact C-N 3.35Å; Q65-L68 PolarHBondContact O-N 2.96Å; Q65-N69 PolarHBondContact NE2-OD1 3.22Å; Q65-N69 WeakPolarHBondContact O-CB 3.39Å; Q65-N69 PolarHBondContact O-N 3.08Å; Q65-N69 PolarHBondContact O-ND2 3.47Å; Q65-N69 PolarHBondContact O-OD1 2.85Å |
| 66 | M | 98.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 102.6 Ų | 102.6 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.4 | -77.7 | -62.3 | -57.5 | 0 | 0 | 111.6 | Y62 E63 N69 D70 | Y62-M66 HydrophobicContact CD1-CG 4.32Å; Y62-M66 HydrophobicContact CD2-CG 4.44Å; Y62-M66 HydrophobicContact CE1-CG 3.85Å; Y62-M66 HydrophobicContact CE2-CG 3.97Å; Y62-M66 HydrophobicContact CE2-SD 4.23Å; Y62-M66 WeakPolarHBondContact O-CG 3.32Å; Y62-M66 PolarHBondContact O-N 3.46Å; E63-M66 PolarHBondContact O-N 3.14Å; M66-N69 PolarHBondContact O-N 2.97Å; M66-D70 PolarHBondContact O-N 3.07Å |
| 67 | E | 98.1 | Very high | 96.4 | Very high | 121 Ų | 121 | 103 Ų | 103 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 176.7 | -172.9 | 174.9 | -170.1 | 0 | 0 | 112.1 | E63 T64 Q65 N69 D70 Q71 | E63-E67 PolarHBondContact O-N 2.87Å; T64-E67 PolarHBondContact O-N 2.81Å; Q65-E67 VanDerWaalsContact C-N 3.35Å; E67-N69 VanDerWaalsContact C-N 3.3Å; E67-N69 PolarHBondContact O-N 2.91Å; E67-D70 PolarHBondContact O-N 3.15Å; E67-Q71 WeakPolarHBondContact O-CG 3.5Å; E67-Q71 PolarHBondContact O-N 3.49Å |
| 68 | L | 98.3 | Very high | 97 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 174.8 | 178.7 | 62 | 0 | 0 | 0 | 111.5 | T64 Q65 Q71 L72 | T64-L68 PolarHBondContact O-N 3.4Å; Q65-L68 PolarHBondContact O-N 2.96Å; L68-Q71 PolarHBondContact O-N 3.02Å; L68-L72 HydrophobicContact CD1-CG 4.48Å; L68-L72 HydrophobicContact CG-CD1 4.2Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.36Å |
| 69 | N | 98.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 98.2 Ų | 98.2 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 178 | -71.6 | -8.7 | 0 | 0 | 0 | 111.6 | Q65 M66 E67 Q71 L72 E73 | Q65-N69 PolarHBondContact NE2-OD1 3.22Å; Q65-N69 WeakPolarHBondContact O-CB 3.39Å; Q65-N69 PolarHBondContact O-N 3.08Å; Q65-N69 PolarHBondContact O-ND2 3.47Å; Q65-N69 PolarHBondContact O-OD1 2.85Å; M66-N69 PolarHBondContact O-N 2.97Å; E67-N69 VanDerWaalsContact C-N 3.3Å; E67-N69 PolarHBondContact O-N 2.91Å; N69-Q71 VanDerWaalsContact C-N 3.33Å; N69-Q71 PolarHBondContact O-N 3.42Å; N69-L72 PolarHBondContact O-N 2.63Å; N69-E73 WeakPolarHBondContact O-CB 3.38Å; N69-E73 PolarHBondContact O-N 2.95Å |
| 70 | D | 98.5 | Very high | 97.4 | Very high | 75 Ų | 75 | 99.4 Ų | 99.4 | 40% | 0.401 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.3 | 172.3 | 73.2 | 0 | 0 | 0 | 111.9 | M66 E67 E73 K74 | M66-D70 PolarHBondContact O-N 3.07Å; E67-D70 PolarHBondContact O-N 3.15Å; D70-E73 PolarHBondContact O-N 3.11Å; D70-K74 WeakPolarHBondContact O-CG 3.48Å; D70-K74 PolarHBondContact O-N 3.12Å; D70-K74 WeakPolarHBondContact OD1-CE 3.3Å; D70-K74 IonicContact OD1-NZ 3.03Å; D70-K74 WeakPolarHBondContact OD2-CE 3.25Å; D70-K74 IonicContact OD2-NZ 3.51Å; D70-K74 PolarHBondContact OD2-NZ 3.47Å |
| 71 | Q | 98.5 | Very high | 97.4 | Very high | 93 Ų | 93 | 100.5 Ų | 100.5 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 174.8 | -68.4 | -179.9 | 16.7 | 0 | 0 | 112.2 | E67 L68 N69 K74 Q75 | E67-Q71 WeakPolarHBondContact O-CG 3.5Å; E67-Q71 PolarHBondContact O-N 3.49Å; L68-Q71 PolarHBondContact O-N 3.02Å; N69-Q71 VanDerWaalsContact C-N 3.33Å; N69-Q71 PolarHBondContact O-N 3.42Å; Q71-K74 PolarHBondContact O-N 3.24Å; Q71-Q75 WeakPolarHBondContact O-CG 3.39Å; Q71-Q75 PolarHBondContact O-N 2.96Å |
| 72 | L | 98.5 | Very high | 97.2 | Very high | 77 Ų | 77 | 98 Ų | 98 | 40% | 0.403 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.1 | -72.8 | 171.1 | 0 | 0 | 0 | 111.8 | L68 N69 K74 Q75 I76 | L68-L72 HydrophobicContact CD1-CG 4.48Å; L68-L72 HydrophobicContact CG-CD1 4.2Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.36Å; N69-L72 PolarHBondContact O-N 2.63Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.01Å; L72-Q75 WeakPolarHBondContact O-CB 3.4Å; L72-Q75 PolarHBondContact O-N 2.88Å; L72-Q75 VanDerWaalsContact O-N 3.17Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 2.95Å; L72-I76 PolarHBondContact O-N 3.06Å |
| 73 | E | 98.4 | Very high | 96.8 | Very high | 125 Ų | 125 | 96.8 Ų | 96.8 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.4 | -47 | 176.1 | -160 | 87.7 | -129.1 | 0 | 0 | 110.6 | N69 D70 Q75 I76 V77 | N69-E73 WeakPolarHBondContact O-CB 3.38Å; N69-E73 PolarHBondContact O-N 2.95Å; D70-E73 PolarHBondContact O-N 3.11Å; E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 2.77Å; E73-I76 PolarHBondContact O-N 3.08Å; E73-V77 WeakPolarHBondContact O-CG2 3.36Å; E73-V77 PolarHBondContact O-N 3.43Å |
| 74 | K | 98.4 | Very high | 96.3 | Very high | 128 Ų | 128 | 97 Ų | 97 | 56% | 0.557 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60 | -42.4 | 174.8 | -73.1 | 168 | 179.3 | 166.7 | 0 | 112.1 | D70 Q71 L72 V77 S78 | D70-K74 WeakPolarHBondContact O-CG 3.48Å; D70-K74 PolarHBondContact O-N 3.12Å; D70-K74 WeakPolarHBondContact OD1-CE 3.3Å; D70-K74 IonicContact OD1-NZ 3.03Å; D70-K74 WeakPolarHBondContact OD2-CE 3.25Å; D70-K74 IonicContact OD2-NZ 3.51Å; D70-K74 PolarHBondContact OD2-NZ 3.47Å; Q71-K74 PolarHBondContact O-N 3.24Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.01Å; K74-V77 PolarHBondContact O-N 3.41Å; K74-S78 WeakPolarHBondContact O-CB 3.15Å; K74-S78 PolarHBondContact O-N 3.18Å |
| 75 | Q | 98.3 | Very high | 95.6 | Very high | 112 Ų | 112 | 99.8 Ų | 99.8 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.7 | -74.5 | -179.5 | 5.2 | 0 | 0 | 111.8 | Q71 L72 E73 V77 S78 L79 | Q71-Q75 WeakPolarHBondContact O-CG 3.39Å; Q71-Q75 PolarHBondContact O-N 2.96Å; L72-Q75 WeakPolarHBondContact O-CB 3.4Å; L72-Q75 PolarHBondContact O-N 2.88Å; L72-Q75 VanDerWaalsContact O-N 3.17Å; E73-Q75 VanDerWaalsContact C-N 3.34Å; E73-Q75 PolarHBondContact O-N 2.77Å; Q75-V77 VanDerWaalsContact C-N 3.35Å; Q75-V77 PolarHBondContact O-N 2.92Å; Q75-S78 PolarHBondContact O-N 3.03Å; Q75-L79 WeakPolarHBondContact O-CB 2.85Å; Q75-L79 VanDerWaalsContact O-CG 3.27Å; Q75-L79 WeakPolarHBondContact O-CG 3.44Å; Q75-L79 PolarHBondContact O-N 3.04Å |
| 76 | I | 98.1 | Very high | 94.6 | Very high | 78 Ų | 78 | 101.1 Ų | 101.1 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 177.1 | -72.3 | 166.2 | 0 | 0 | 0 | 110.3 | L72 E73 L79 K80 | L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 2.95Å; L72-I76 PolarHBondContact O-N 3.06Å; E73-I76 PolarHBondContact O-N 3.08Å; I76-L79 PolarHBondContact O-N 3.26Å; I76-K80 HydrophobicContact CG2-CD 4Å; I76-K80 HydrophobicContact CG2-CG 4.48Å; I76-K80 WeakPolarHBondContact O-CB 3.39Å; I76-K80 VanDerWaalsContact O-CG 3.3Å; I76-K80 WeakPolarHBondContact O-CG 3.5Å; I76-K80 PolarHBondContact O-N 3.28Å |
| 77 | V | 97.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 104.5 Ų | 104.5 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | E73 K74 Q75 L79 K80 E81 | E73-V77 WeakPolarHBondContact O-CG2 3.36Å; E73-V77 PolarHBondContact O-N 3.43Å; K74-V77 PolarHBondContact O-N 3.41Å; Q75-V77 VanDerWaalsContact C-N 3.35Å; Q75-V77 PolarHBondContact O-N 2.92Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.18Å; V77-K80 PolarHBondContact O-N 2.91Å; V77-E81 PolarHBondContact O-N 2.87Å |
| 78 | S | 97.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 100.6 Ų | 100.6 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | K74 Q75 E81 K82 | K74-S78 WeakPolarHBondContact O-CB 3.15Å; K74-S78 PolarHBondContact O-N 3.18Å; Q75-S78 PolarHBondContact O-N 3.03Å; S78-E81 PolarHBondContact O-N 3.36Å; S78-K82 WeakPolarHBondContact O-CB 3.05Å; S78-K82 VanDerWaalsContact O-CG 3.31Å; S78-K82 WeakPolarHBondContact O-CG 3.31Å; S78-K82 PolarHBondContact O-N 3.19Å |
| 79 | L | 96.9 | Very high | 90 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 177.7 | -73.6 | 172.5 | 0 | 0 | 0 | 111.7 | Q75 I76 V77 E81 K82 M83 | Q75-L79 WeakPolarHBondContact O-CB 2.85Å; Q75-L79 VanDerWaalsContact O-CG 3.27Å; Q75-L79 WeakPolarHBondContact O-CG 3.44Å; Q75-L79 PolarHBondContact O-N 3.04Å; I76-L79 PolarHBondContact O-N 3.26Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.18Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 2.95Å; L79-K82 PolarHBondContact O-N 2.93Å; L79-M83 WeakPolarHBondContact O-CB 3.42Å; L79-M83 WeakPolarHBondContact O-CG 3.01Å; L79-M83 PolarHBondContact O-N 3.28Å |
| 80 | K | 94.9 | Very high | 88.1 | Confident | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.2 | -77.3 | 175.7 | 177.7 | 175.2 | 0 | 111.5 | I76 V77 M83 E84 | I76-K80 HydrophobicContact CG2-CD 4Å; I76-K80 HydrophobicContact CG2-CG 4.48Å; I76-K80 WeakPolarHBondContact O-CB 3.39Å; I76-K80 VanDerWaalsContact O-CG 3.3Å; I76-K80 WeakPolarHBondContact O-CG 3.5Å; I76-K80 PolarHBondContact O-N 3.28Å; V77-K80 PolarHBondContact O-N 2.91Å; K80-M83 HydrophobicContact CG-CE 4.18Å; K80-M83 PolarHBondContact O-N 2.96Å; K80-E84 PolarHBondContact O-N 3.01Å |
| 81 | E | 93.6 | Very high | 86.2 | Confident | 102 Ų | 102 | 101.3 Ų | 101.3 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 177.1 | -166.9 | -164.4 | 159.3 | 0 | 0 | 112 | V77 S78 L79 M83 E84 K85 | V77-E81 PolarHBondContact O-N 2.87Å; S78-E81 PolarHBondContact O-N 3.36Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 2.95Å; E81-M83 VanDerWaalsContact C-N 3.34Å; E81-E84 PolarHBondContact O-N 2.79Å; E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 3.16Å; E81-K85 VanDerWaalsContact OE1-CE 3.3Å; E81-K85 WeakPolarHBondContact OE1-CE 3.44Å; E81-K85 IonicContact OE1-NZ 2.77Å; E81-K85 PolarHBondContact OE1-NZ 3.24Å |
| 82 | K | 92 | Very high | 84.8 | Confident | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.5 | -74 | 174.8 | -175.3 | 176.4 | 0 | 111.7 | S78 L79 K85 V86 | S78-K82 WeakPolarHBondContact O-CB 3.05Å; S78-K82 VanDerWaalsContact O-CG 3.31Å; S78-K82 WeakPolarHBondContact O-CG 3.31Å; S78-K82 PolarHBondContact O-N 3.19Å; L79-K82 PolarHBondContact O-N 2.93Å; K82-K85 PolarHBondContact O-N 3.48Å; K82-V86 WeakPolarHBondContact O-CG2 3.48Å; K82-V86 PolarHBondContact O-N 3.03Å |
| 83 | M | 86.9 | Confident | 83.6 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.3 | -44.9 | 175 | -76.5 | -167.3 | -59.1 | 0 | 0 | 111.2 | L79 K80 E81 K85 V86 R87 | L79-M83 WeakPolarHBondContact O-CB 3.42Å; L79-M83 WeakPolarHBondContact O-CG 3.01Å; L79-M83 PolarHBondContact O-N 3.28Å; K80-M83 HydrophobicContact CG-CE 4.18Å; K80-M83 PolarHBondContact O-N 2.96Å; E81-M83 VanDerWaalsContact C-N 3.34Å; M83-K85 VanDerWaalsContact C-N 3.33Å; M83-K85 PolarHBondContact O-N 2.91Å; M83-V86 PolarHBondContact O-N 3.45Å; M83-R87 WeakPolarHBondContact O-CA 3.42Å; M83-R87 WeakPolarHBondContact O-CB 3.43Å; M83-R87 PolarHBondContact O-N 3.43Å |
| 84 | E | 85.6 | Confident | 82.5 | Confident | 104 Ų | 104 | 107.9 Ų | 107.9 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 176.6 | -72.4 | -53.9 | 133.9 | 0 | 0 | 112.5 | K80 E81 R87 G88 | K80-E84 PolarHBondContact O-N 3.01Å; E81-E84 PolarHBondContact O-N 2.79Å; E84-R87 CarbonylContact O-C 3.45Å; E84-R87 PolarHBondContact O-N 2.85Å; E84-R87 IonicContact OE1-NH1 3.88Å; E84-R87 PolarHBondContact OE1-NH1 3.39Å; E84-R87 IonicContact OE2-NH1 3.68Å; E84-R87 PolarHBondContact OE2-NH1 3.4Å; E84-G88 PolarHBondContact O-N 2.73Å |
| 85 | K | 81.2 | Confident | 81.5 | Confident | 145 Ų | 145 | 103.8 Ų | 103.8 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 172.6 | -76.6 | 169.5 | 171.3 | 166.8 | 0 | 112.6 | E81 K82 M83 G88 | E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 3.16Å; E81-K85 VanDerWaalsContact OE1-CE 3.3Å; E81-K85 WeakPolarHBondContact OE1-CE 3.44Å; E81-K85 IonicContact OE1-NZ 2.77Å; E81-K85 PolarHBondContact OE1-NZ 3.24Å; K82-K85 PolarHBondContact O-N 3.48Å; M83-K85 VanDerWaalsContact C-N 3.33Å; M83-K85 PolarHBondContact O-N 2.91Å; K85-G88 PolarHBondContact O-N 3.32Å |
| 86 | V | 78.6 | Confident | 80.5 | Confident | 124 Ų | 124 | 102.3 Ų | 102.3 | 75% | 0.752 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.6 | -35.5 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | K82 M83 G88 | K82-V86 WeakPolarHBondContact O-CG2 3.48Å; K82-V86 PolarHBondContact O-N 3.03Å; M83-V86 PolarHBondContact O-N 3.45Å; V86-G88 PolarHBondContact O-N 3.32Å |
| 87 | R | 68.9 | Low | 79.8 | Confident | 162 Ų | 162 | 103 Ų | 103 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75 | -8.1 | 174.6 | -175.6 | 176.2 | 177.5 | -103 | -2.9 | 112.7 | M83 E84 N89 P90 | M83-R87 WeakPolarHBondContact O-CA 3.42Å; M83-R87 WeakPolarHBondContact O-CB 3.43Å; M83-R87 PolarHBondContact O-N 3.43Å; E84-R87 CarbonylContact O-C 3.45Å; E84-R87 PolarHBondContact O-N 2.85Å; E84-R87 IonicContact OE1-NH1 3.88Å; E84-R87 PolarHBondContact OE1-NH1 3.39Å; E84-R87 IonicContact OE2-NH1 3.68Å; E84-R87 PolarHBondContact OE2-NH1 3.4Å; R87-N89 PolarHBondContact O-N 2.93Å; R87-N89 VanDerWaalsContact O-N 3.16Å; R87-P90 VanDerWaalsContact O-CD 3.27Å; R87-P90 WeakPolarHBondContact O-CD 3.46Å |
| 88 | G | 65.5 | Low | 79.1 | Confident | 40 Ų | 40 | 101.3 Ų | 101.3 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -36.6 | 126.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E84 K85 V86 | E84-G88 PolarHBondContact O-N 2.73Å; K85-G88 PolarHBondContact O-N 3.32Å; V86-G88 PolarHBondContact O-N 3.32Å |
| 89 | N | 62.7 | Low | 78.5 | Confident | 107 Ų | 107 | 103.3 Ų | 103.3 | 57% | 0.572 | 53% | 0.525 | S | S | * | . | trans | -31.8 | 107 | -149.2 | -162 | -6 | 0 | 0 | 0 | 111.8 | R87 S91 D92 | R87-N89 PolarHBondContact O-N 2.93Å; R87-N89 VanDerWaalsContact O-N 3.16Å; N89-S91 VanDerWaalsContact CG-CB 3.48Å; N89-S91 PolarHBondContact O-N 3.34Å; N89-S91 WeakPolarHBondContact OD1-CB 3.45Å; N89-S91 PolarHBondContact OD1-N 2.88Å; N89-D92 HydrophobicContact CB-CB 4.42Å; N89-D92 WeakPolarHBondContact O-CB 3.27Å; N89-D92 PolarHBondContact O-N 3.44Å | ||
| 90 | P | 58.5 | Low | 78.1 | Confident | 78 Ų | 78 | 104 Ų | 104 | 51% | 0.506 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -23.2 | -178.5 | 25.4 | -34.7 | 0 | 0 | 0 | 110 | R87 D92 R98 | R87-P90 VanDerWaalsContact O-CD 3.27Å; R87-P90 WeakPolarHBondContact O-CD 3.46Å; P90-D92 PolarHBondContact O-N 2.98Å; P90-R98 VanDerWaalsContact C-NH2 3.33Å; P90-R98 VanDerWaalsContact O-CZ 3.31Å; P90-R98 PolarHBondContact O-NH1 3.45Å; P90-R98 PolarHBondContact O-NH2 3.47Å |
| 91 | S | 59.9 | Low | 77.8 | Confident | 53 Ų | 53 | 104.9 Ų | 104.9 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -48 | -36.2 | 168.8 | -156.2 | 0 | 0 | 0 | 0 | 112.8 | N89 S95 R98 | N89-S91 VanDerWaalsContact CG-CB 3.48Å; N89-S91 PolarHBondContact O-N 3.34Å; N89-S91 WeakPolarHBondContact OD1-CB 3.45Å; N89-S91 PolarHBondContact OD1-N 2.88Å; S91-S95 WeakPolarHBondContact O-CA 3.31Å; S91-S95 WeakPolarHBondContact O-CB 3.04Å; S91-S95 PolarHBondContact O-N 3.28Å; S91-S95 PolarHBondContact O-OG 3.08Å; S91-R98 PolarHBondContact O-NH2 3.25Å |
| 92 | D | 68.6 | Low | 77.5 | Confident | 130 Ų | 130 | 109.9 Ų | 109.9 | 70% | 0.695 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -93.2 | -24.3 | -165.1 | -144.2 | 30.7 | 0 | 0 | 0 | 114.9 | N89 P90 S95 | N89-D92 HydrophobicContact CB-CB 4.42Å; N89-D92 WeakPolarHBondContact O-CB 3.27Å; N89-D92 PolarHBondContact O-N 3.44Å; P90-D92 PolarHBondContact O-N 2.98Å; D92-S95 VanDerWaalsContact CA-OG 3.31Å; D92-S95 WeakPolarHBondContact CA-OG 3.49Å; D92-S95 PolarHBondContact O-OG 3.35Å |
| 93 | R | 72.6 | Confident | 77.5 | Confident | 213 Ų | 213 | 107 Ų | 107 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -86.2 | -25.7 | 175.9 | -63 | -177.9 | 79 | -171.6 | 5 | 113.3 | ||
| 94 | L | 74.8 | Confident | 77.9 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -119.9 | 11.8 | -179.5 | -62.2 | 171.7 | 0 | 0 | 0 | 111.7 | S96 I97 R98 | L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 3.37Å; L94-I97 HydrophobicContact CD2-CD1 3.96Å; L94-I97 PolarHBondContact O-N 2.64Å; L94-I97 VanDerWaalsContact O-N 3.07Å; L94-R98 PolarHBondContact O-N 3.27Å |
| 95 | S | 77.1 | Confident | 78.4 | Confident | 42 Ų | 42 | 105.6 Ų | 105.6 | 29% | 0.294 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 178 | 17.9 | 0 | 0 | 0 | 0 | 110.6 | S91 D92 I97 R98 V99 | S91-S95 WeakPolarHBondContact O-CA 3.31Å; S91-S95 WeakPolarHBondContact O-CB 3.04Å; S91-S95 PolarHBondContact O-N 3.28Å; S91-S95 PolarHBondContact O-OG 3.08Å; D92-S95 VanDerWaalsContact CA-OG 3.31Å; D92-S95 WeakPolarHBondContact CA-OG 3.49Å; D92-S95 PolarHBondContact O-OG 3.35Å; S95-I97 PolarHBondContact O-N 3.41Å; S95-R98 PolarHBondContact O-N 2.92Å; S95-V99 WeakPolarHBondContact O-CG2 3.3Å; S95-V99 PolarHBondContact O-N 3.41Å |
| 96 | S | 78.8 | Confident | 79.1 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.3 | -27.9 | 178.3 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | L94 Y100 | L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 3.37Å; S96-Y100 WeakPolarHBondContact O-CD2 3.38Å; S96-Y100 WeakPolarHBondContact O-CE2 3.45Å |
| 97 | I | 82.4 | Confident | 79.9 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -92 | -42.6 | -178.6 | -62.7 | 172.4 | 0 | 0 | 0 | 111.1 | L94 S95 V99 Y100 | L94-I97 HydrophobicContact CD2-CD1 3.96Å; L94-I97 PolarHBondContact O-N 2.64Å; L94-I97 VanDerWaalsContact O-N 3.07Å; S95-I97 PolarHBondContact O-N 3.41Å; I97-V99 PolarHBondContact O-N 2.88Å; I97-Y100 WeakPolarHBondContact O-CB 3.4Å; I97-Y100 WeakPolarHBondContact O-CD2 3.5Å; I97-Y100 PolarHBondContact O-N 2.82Å |
| 98 | R | 83.9 | Confident | 81.2 | Confident | 53 Ų | 53 | 96.9 Ų | 96.9 | 20% | 0.2 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -64.4 | -21.1 | -179.2 | -77.4 | -162.8 | -71.4 | -89.1 | -36.5 | 114.2 | P90 S91 L94 S95 Y100 E101 R102 | P90-R98 VanDerWaalsContact C-NH2 3.33Å; P90-R98 VanDerWaalsContact O-CZ 3.31Å; P90-R98 PolarHBondContact O-NH1 3.45Å; P90-R98 PolarHBondContact O-NH2 3.47Å; S91-R98 PolarHBondContact O-NH2 3.25Å; L94-R98 PolarHBondContact O-N 3.27Å; S95-R98 PolarHBondContact O-N 2.92Å; R98-Y100 PolarHBondContact O-N 2.97Å; R98-E101 WeakPolarHBondContact CG-OE2 3.37Å; R98-E101 PolarHBondContact O-N 3.3Å; R98-R102 PolarHBondContact O-N 3.33Å |
| 99 | V | 84.8 | Confident | 82.7 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.6 | -34.9 | 170.5 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | S95 I97 | S95-V99 WeakPolarHBondContact O-CG2 3.3Å; S95-V99 PolarHBondContact O-N 3.41Å; I97-V99 PolarHBondContact O-N 2.88Å |
| 100 | Y | 89.4 | Confident | 84.3 | Confident | 113 Ų | 113 | 98.1 Ų | 98.1 | 44% | 0.443 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.1 | -32.1 | 177.7 | -53.9 | -64.4 | 0 | 0 | 0 | 113 | S96 I97 R98 R102 M103 L108 L111 | S96-Y100 WeakPolarHBondContact O-CD2 3.38Å; S96-Y100 WeakPolarHBondContact O-CE2 3.45Å; I97-Y100 WeakPolarHBondContact O-CB 3.4Å; I97-Y100 WeakPolarHBondContact O-CD2 3.5Å; I97-Y100 PolarHBondContact O-N 2.82Å; R98-Y100 PolarHBondContact O-N 2.97Å; Y100-R102 PolarHBondContact O-N 3.28Å; Y100-M103 HydrophobicContact CD1-CE 4.5Å; Y100-M103 WeakPolarHBondContact O-CB 3.31Å; Y100-M103 PolarHBondContact O-N 3.35Å; Y100-L108 HydrophobicContact CD1-CD1 4.28Å; Y100-L111 HydrophobicContact CD1-CD2 3.94Å; Y100-L111 HydrophobicContact CE1-CD2 3.61Å |
| 101 | E | 87.6 | Confident | 86.1 | Confident | 145 Ų | 145 | 97 Ų | 97 | 68% | 0.678 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -30 | 175.1 | -67.5 | 176.4 | -178.8 | 0 | 0 | 112.7 | R98 M103 | R98-E101 WeakPolarHBondContact CG-OE2 3.37Å; R98-E101 PolarHBondContact O-N 3.3Å; E101-M103 VanDerWaalsContact C-N 3.33Å |
| 102 | R | 87.8 | Confident | 87.8 | Confident | 208 Ų | 208 | 98.8 Ų | 98.8 | 79% | 0.785 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6 | 178.9 | -64.9 | 178.5 | -179.1 | -166.7 | -0.7 | 113.4 | R98 Y100 | R98-R102 PolarHBondContact O-N 3.33Å; Y100-R102 PolarHBondContact O-N 3.28Å |
| 103 | M | 92.3 | Very high | 89.2 | Confident | 62 Ų | 62 | 99.7 Ų | 99.7 | 31% | 0.305 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -84.4 | 141.6 | -176.7 | -171.8 | 177 | -70 | 0 | 0 | 110.6 | Y100 E101 L108 | Y100-M103 HydrophobicContact CD1-CE 4.5Å; Y100-M103 WeakPolarHBondContact O-CB 3.31Å; Y100-M103 PolarHBondContact O-N 3.35Å; E101-M103 VanDerWaalsContact C-N 3.33Å; M103-L108 HydrophobicContact SD-CB 4.41Å; M103-L108 HydrophobicContact SD-CD1 4.47Å |
| 104 | P | 95.4 | Very high | 90.4 | Very high | 78 Ų | 78 | 93.9 Ų | 93.9 | 51% | 0.506 | 48% | 0.476 | S | S | . | . | trans | -57.3 | 145 | 170.4 | -23.5 | 33.7 | 0 | 0 | 0 | 111.7 | E106 S107 L108 | P104-E106 PolarHBondContact O-N 2.96Å; P104-S107 WeakPolarHBondContact O-CB 3.3Å; P104-S107 PolarHBondContact O-N 3.46Å; P104-L108 PolarHBondContact O-N 3.22Å | ||
| 105 | L | 94.8 | Very high | 91.5 | Very high | 112 Ų | 112 | 93.8 Ų | 93.8 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.5 | -35.5 | -175.5 | -175.9 | 62.6 | 0 | 0 | 0 | 112.3 | L108 N109 | L105-L108 PolarHBondContact O-N 3.02Å; L105-N109 WeakPolarHBondContact O-CB 3.36Å; L105-N109 PolarHBondContact O-N 2.95Å; L105-N109 PolarHBondContact O-ND2 3.43Å |
| 106 | E | 96.4 | Very high | 92.5 | Very high | 135 Ų | 135 | 95.7 Ų | 95.7 | 63% | 0.631 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 177.1 | -62 | 71 | -153.9 | 0 | 0 | 110.9 | P104 N109 T110 | P104-E106 PolarHBondContact O-N 2.96Å; E106-N109 PolarHBondContact O-N 3.17Å; E106-T110 WeakPolarHBondContact O-CG2 3.47Å; E106-T110 PolarHBondContact O-N 3.22Å |
| 107 | S | 96.2 | Very high | 93.5 | Very high | 52 Ų | 52 | 98.2 Ų | 98.2 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 177.5 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | P104 N109 T110 L111 | P104-S107 WeakPolarHBondContact O-CB 3.3Å; P104-S107 PolarHBondContact O-N 3.46Å; S107-N109 VanDerWaalsContact C-N 3.33Å; S107-N109 PolarHBondContact O-N 2.94Å; S107-T110 WeakPolarHBondContact CA-OG1 3.37Å; S107-T110 PolarHBondContact O-N 3.42Å; S107-T110 PolarHBondContact O-OG1 3.47Å; S107-L111 WeakPolarHBondContact O-CB 3.29Å; S107-L111 PolarHBondContact O-N 3.45Å |
| 108 | L | 95.8 | Very high | 94.2 | Very high | 61 Ų | 61 | 98.3 Ų | 98.3 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.2 | -168.4 | 66.2 | 0 | 0 | 0 | 111.9 | Y100 M103 P104 L105 L111 L112 | Y100-L108 HydrophobicContact CD1-CD1 4.28Å; M103-L108 HydrophobicContact SD-CB 4.41Å; M103-L108 HydrophobicContact SD-CD1 4.47Å; P104-L108 PolarHBondContact O-N 3.22Å; L105-L108 PolarHBondContact O-N 3.02Å; L108-L111 PolarHBondContact O-N 2.83Å; L108-L112 WeakPolarHBondContact O-CB 3.39Å; L108-L112 PolarHBondContact O-N 3.29Å |
| 109 | N | 96.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 101.8 Ų | 101.8 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.2 | -84 | -33.7 | 0 | 0 | 0 | 112.7 | L105 E106 S107 K113 | L105-N109 WeakPolarHBondContact O-CB 3.36Å; L105-N109 PolarHBondContact O-N 2.95Å; L105-N109 PolarHBondContact O-ND2 3.43Å; E106-N109 PolarHBondContact O-N 3.17Å; S107-N109 VanDerWaalsContact C-N 3.33Å; S107-N109 PolarHBondContact O-N 2.94Å; N109-K113 WeakPolarHBondContact O-CG 3.27Å; N109-K113 PolarHBondContact O-N 3.44Å; N109-K113 VanDerWaalsContact O-N 3.16Å |
| 110 | T | 97.2 | Very high | 95.6 | Very high | 94 Ų | 94 | 104.3 Ų | 104.3 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 175.3 | 59 | 0 | 0 | 0 | 0 | 111.9 | E106 S107 L112 K113 Q114 | E106-T110 WeakPolarHBondContact O-CG2 3.47Å; E106-T110 PolarHBondContact O-N 3.22Å; S107-T110 WeakPolarHBondContact CA-OG1 3.37Å; S107-T110 PolarHBondContact O-N 3.42Å; S107-T110 PolarHBondContact O-OG1 3.47Å; T110-L112 PolarHBondContact O-N 3.31Å; T110-K113 PolarHBondContact O-N 3.46Å; T110-Q114 PolarHBondContact O-N 3.31Å; T110-Q114 VanDerWaalsContact O-N 3.09Å |
| 111 | L | 95.9 | Very high | 96 | Very high | 54 Ų | 54 | 101.8 Ų | 101.8 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.6 | 178.8 | 61.8 | 0 | 0 | 0 | 111.3 | Y100 S107 L108 K113 Q114 L115 | Y100-L111 HydrophobicContact CD1-CD2 3.94Å; Y100-L111 HydrophobicContact CE1-CD2 3.61Å; S107-L111 WeakPolarHBondContact O-CB 3.29Å; S107-L111 PolarHBondContact O-N 3.45Å; L108-L111 PolarHBondContact O-N 2.83Å; L111-K113 PolarHBondContact O-N 2.83Å; L111-Q114 PolarHBondContact O-N 2.63Å; L111-L115 HydrophobicContact CD1-CD1 4.2Å; L111-L115 HydrophobicContact CD1-CG 4.21Å; L111-L115 HydrophobicContact CG-CD1 4.03Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CG 3.34Å; L111-L115 PolarHBondContact O-N 3.04Å |
| 112 | L | 96.4 | Very high | 96.5 | Very high | 91 Ų | 91 | 99.8 Ų | 99.8 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 177.7 | -177.4 | 62.2 | 0 | 0 | 0 | 111.8 | L108 T110 Q114 L115 E116 | L108-L112 WeakPolarHBondContact O-CB 3.39Å; L108-L112 PolarHBondContact O-N 3.29Å; T110-L112 PolarHBondContact O-N 3.31Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 3.4Å; L112-L115 PolarHBondContact O-N 2.99Å; L112-E116 WeakPolarHBondContact O-CG 3.48Å; L112-E116 PolarHBondContact O-N 2.86Å |
| 113 | K | 98 | Very high | 97.1 | Very high | 150 Ų | 150 | 94.3 Ų | 94.3 | 65% | 0.652 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.5 | -38.8 | 177.2 | -72.3 | 177.8 | -177.6 | 179 | 0 | 112.4 | N109 T110 L111 K117 | N109-K113 WeakPolarHBondContact O-CG 3.27Å; N109-K113 PolarHBondContact O-N 3.44Å; N109-K113 VanDerWaalsContact O-N 3.16Å; T110-K113 PolarHBondContact O-N 3.46Å; L111-K113 PolarHBondContact O-N 2.83Å; K113-K117 PolarHBondContact O-N 2.94Å; K113-K117 VanDerWaalsContact O-N 3.16Å |
| 114 | Q | 98.1 | Very high | 97.3 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -48.8 | 177 | -179.9 | 59.8 | 23.5 | 0 | 0 | 111.1 | T110 L111 L112 E116 K117 E118 | T110-Q114 PolarHBondContact O-N 3.31Å; T110-Q114 VanDerWaalsContact O-N 3.09Å; L111-Q114 PolarHBondContact O-N 2.63Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 3.4Å; Q114-E116 VanDerWaalsContact C-N 3.31Å; Q114-E116 PolarHBondContact O-N 3.21Å; Q114-K117 WeakPolarHBondContact O-CB 3.19Å; Q114-K117 PolarHBondContact O-N 3.37Å; Q114-K117 VanDerWaalsContact O-N 3.09Å; Q114-E118 PolarHBondContact NE2-OE1 3.3Å; Q114-E118 PolarHBondContact O-N 3.02Å |
| 115 | L | 97.4 | Very high | 97.5 | Very high | 87 Ų | 87 | 94.3 Ų | 94.3 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 178.2 | -71.1 | 174 | 0 | 0 | 0 | 112.3 | L111 L112 K117 E118 K119 | L111-L115 HydrophobicContact CD1-CD1 4.2Å; L111-L115 HydrophobicContact CD1-CG 4.21Å; L111-L115 HydrophobicContact CG-CD1 4.03Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CG 3.34Å; L111-L115 PolarHBondContact O-N 3.04Å; L112-L115 PolarHBondContact O-N 2.99Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.42Å; L115-E118 PolarHBondContact O-N 3.33Å; L115-K119 WeakPolarHBondContact O-CB 3.43Å; L115-K119 PolarHBondContact O-N 3.41Å |
| 116 | E | 98.4 | Very high | 97.7 | Very high | 83 Ų | 83 | 93.7 Ų | 93.7 | 39% | 0.388 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 173.8 | -76.8 | -178.8 | -177.5 | 0 | 0 | 112.9 | L112 Q114 R120 | L112-E116 WeakPolarHBondContact O-CG 3.48Å; L112-E116 PolarHBondContact O-N 2.86Å; Q114-E116 VanDerWaalsContact C-N 3.31Å; Q114-E116 PolarHBondContact O-N 3.21Å; E116-R120 WeakPolarHBondContact O-CG 3.35Å; E116-R120 PolarHBondContact O-N 2.91Å; E116-R120 VanDerWaalsContact O-N 3.07Å; E116-R120 IonicContact OE2-NH1 3.76Å |
| 117 | K | 98.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 94.3 Ų | 94.3 | 59% | 0.587 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | 176.5 | -175.4 | -178.5 | 176.6 | -176.1 | 0 | 111 | K113 Q114 L115 R120 S121 | K113-K117 PolarHBondContact O-N 2.94Å; K113-K117 VanDerWaalsContact O-N 3.16Å; Q114-K117 WeakPolarHBondContact O-CB 3.19Å; Q114-K117 PolarHBondContact O-N 3.37Å; Q114-K117 VanDerWaalsContact O-N 3.09Å; L115-K117 VanDerWaalsContact C-N 3.33Å; L115-K117 PolarHBondContact O-N 3.42Å; K117-R120 PolarHBondContact O-N 3.37Å; K117-S121 PolarHBondContact O-N 3Å |
| 118 | E | 98.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.3 | -74 | 175.9 | -167 | 0 | 0 | 111.5 | Q114 L115 R120 S121 L122 | Q114-E118 PolarHBondContact NE2-OE1 3.3Å; Q114-E118 PolarHBondContact O-N 3.02Å; L115-E118 PolarHBondContact O-N 3.33Å; E118-R120 PolarHBondContact O-N 2.9Å; E118-S121 WeakPolarHBondContact O-CB 3.37Å; E118-S121 PolarHBondContact O-N 2.94Å; E118-L122 WeakPolarHBondContact O-CG 3.37Å; E118-L122 PolarHBondContact O-N 3.25Å |
| 119 | K | 98.4 | Very high | 98 | Very high | 126 Ų | 126 | 100.8 Ų | 100.8 | 55% | 0.548 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -53.9 | -52.8 | 173.6 | 177.8 | -175.3 | 169.1 | -178.8 | 0 | 111.4 | L115 S121 L122 E123 | L115-K119 WeakPolarHBondContact O-CB 3.43Å; L115-K119 PolarHBondContact O-N 3.41Å; K119-S121 VanDerWaalsContact C-N 3.29Å; K119-S121 PolarHBondContact O-N 3.5Å; K119-L122 PolarHBondContact O-N 3.48Å; K119-E123 WeakPolarHBondContact CE-OE1 3.29Å; K119-E123 HydrophobicContact CG-CG 4.44Å; K119-E123 IonicContact NZ-OE1 3.51Å; K119-E123 WeakPolarHBondContact O-CB 3.32Å; K119-E123 WeakPolarHBondContact O-CG 3.35Å; K119-E123 PolarHBondContact O-N 2.88Å |
| 120 | R | 98.6 | Very high | 98.1 | Very high | 143 Ų | 143 | 99.7 Ų | 99.7 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 179.1 | -74.5 | -173.9 | -69.7 | -101.1 | -2.1 | 112.2 | E116 K117 E118 S124 | E116-R120 WeakPolarHBondContact O-CG 3.35Å; E116-R120 PolarHBondContact O-N 2.91Å; E116-R120 VanDerWaalsContact O-N 3.07Å; E116-R120 IonicContact OE2-NH1 3.76Å; K117-R120 PolarHBondContact O-N 3.37Å; E118-R120 PolarHBondContact O-N 2.9Å; R120-S124 PolarHBondContact O-N 3.43Å |
| 121 | S | 98.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 100 Ų | 100 | 42% | 0.42 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | K117 E118 K119 S124 Q125 | K117-S121 PolarHBondContact O-N 3Å; E118-S121 WeakPolarHBondContact O-CB 3.37Å; E118-S121 PolarHBondContact O-N 2.94Å; K119-S121 VanDerWaalsContact C-N 3.29Å; K119-S121 PolarHBondContact O-N 3.5Å; S121-S124 WeakPolarHBondContact O-CB 2.99Å; S121-S124 PolarHBondContact O-N 3.4Å; S121-Q125 WeakPolarHBondContact O-CG 3.47Å; S121-Q125 PolarHBondContact O-N 2.9Å; S121-Q125 PolarHBondContact OG-NE2 2.9Å |
| 122 | L | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.4 | -71 | 173.1 | 0 | 0 | 0 | 111.6 | E118 K119 S124 Q125 V126 | E118-L122 WeakPolarHBondContact O-CG 3.37Å; E118-L122 PolarHBondContact O-N 3.25Å; K119-L122 PolarHBondContact O-N 3.48Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 2.86Å; L122-Q125 PolarHBondContact O-N 3.23Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 2.99Å |
| 123 | E | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 105 Ų | 105 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 174.1 | -75.8 | 175.7 | 172.4 | 0 | 0 | 112.1 | K119 K127 | K119-E123 WeakPolarHBondContact CE-OE1 3.29Å; K119-E123 HydrophobicContact CG-CG 4.44Å; K119-E123 IonicContact NZ-OE1 3.51Å; K119-E123 WeakPolarHBondContact O-CB 3.32Å; K119-E123 WeakPolarHBondContact O-CG 3.35Å; K119-E123 PolarHBondContact O-N 2.88Å; E123-K127 WeakPolarHBondContact O-CG 3.41Å; E123-K127 PolarHBondContact O-N 3.19Å |
| 124 | S | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 102.5 Ų | 102.5 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 173.6 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | R120 S121 L122 V126 K127 D128 | R120-S124 PolarHBondContact O-N 3.43Å; S121-S124 WeakPolarHBondContact O-CB 2.99Å; S121-S124 PolarHBondContact O-N 3.4Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 2.86Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.3Å; S124-K127 WeakPolarHBondContact O-CB 3.35Å; S124-K127 PolarHBondContact O-N 3.39Å; S124-D128 VanDerWaalsContact O-CG 3.3Å; S124-D128 PolarHBondContact O-N 3.37Å |
| 125 | Q | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 103.7 Ų | 103.7 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 179.1 | -71.9 | 179.5 | 48.8 | 0 | 0 | 111.9 | S121 L122 K127 D128 Y129 | S121-Q125 WeakPolarHBondContact O-CG 3.47Å; S121-Q125 PolarHBondContact O-N 2.9Å; S121-Q125 PolarHBondContact OG-NE2 2.9Å; L122-Q125 PolarHBondContact O-N 3.23Å; Q125-K127 VanDerWaalsContact C-N 3.31Å; Q125-K127 PolarHBondContact O-N 2.77Å; Q125-D128 PolarHBondContact O-N 3.48Å; Q125-Y129 HydrophobicContact CB-CD2 4.38Å; Q125-Y129 HydrophobicContact CB-CE2 4.2Å; Q125-Y129 WeakPolarHBondContact O-CB 3.42Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.5Å; Q125-Y129 PolarHBondContact O-N 2.91Å |
| 126 | V | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 105.4 Ų | 105.4 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | L122 S124 A130 | L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 2.99Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.3Å; V126-A130 VanDerWaalsContact O-CB 3.32Å; V126-A130 WeakPolarHBondContact O-CB 3.3Å; V126-A130 PolarHBondContact O-N 3.05Å |
| 127 | K | 98.5 | Very high | 98.5 | Very high | 148 Ų | 148 | 103.7 Ų | 103.7 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 176.5 | -69.1 | 172.2 | -175.1 | 176.2 | 0 | 111.7 | E123 S124 Q125 A130 L131 | E123-K127 WeakPolarHBondContact O-CG 3.41Å; E123-K127 PolarHBondContact O-N 3.19Å; S124-K127 WeakPolarHBondContact O-CB 3.35Å; S124-K127 PolarHBondContact O-N 3.39Å; Q125-K127 VanDerWaalsContact C-N 3.31Å; Q125-K127 PolarHBondContact O-N 2.77Å; K127-A130 PolarHBondContact O-N 3.27Å; K127-L131 PolarHBondContact O-N 2.75Å |
| 128 | D | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 179.8 | -63.7 | -29 | 0 | 0 | 0 | 111.3 | S124 Q125 L131 K132 | S124-D128 VanDerWaalsContact O-CG 3.3Å; S124-D128 PolarHBondContact O-N 3.37Å; Q125-D128 PolarHBondContact O-N 3.48Å; D128-L131 PolarHBondContact O-N 3.47Å; D128-K132 WeakPolarHBondContact O-CB 3.37Å; D128-K132 PolarHBondContact O-N 3.37Å |
| 129 | Y | 98.6 | Very high | 98.5 | Very high | 155 Ų | 155 | 99.8 Ų | 99.8 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 175 | -73.1 | -53.1 | 0 | 0 | 0 | 112.4 | Q125 L131 K132 L133 | Q125-Y129 HydrophobicContact CB-CD2 4.38Å; Q125-Y129 HydrophobicContact CB-CE2 4.2Å; Q125-Y129 WeakPolarHBondContact O-CB 3.42Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.5Å; Q125-Y129 PolarHBondContact O-N 2.91Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 2.81Å; Y129-K132 PolarHBondContact O-N 3.43Å; Y129-L133 VanDerWaalsContact O-CB 3.27Å; Y129-L133 WeakPolarHBondContact O-CB 3.34Å; Y129-L133 PolarHBondContact O-N 3.33Å |
| 130 | A | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 100.8 Ų | 100.8 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V126 K127 L133 E134 | V126-A130 VanDerWaalsContact O-CB 3.32Å; V126-A130 WeakPolarHBondContact O-CB 3.3Å; V126-A130 PolarHBondContact O-N 3.05Å; K127-A130 PolarHBondContact O-N 3.27Å; A130-L133 PolarHBondContact O-N 3.32Å; A130-E134 WeakPolarHBondContact O-CB 3.4Å; A130-E134 PolarHBondContact O-N 3.31Å |
| 131 | L | 98.4 | Very high | 98.5 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 176.6 | 178.9 | 62.9 | 0 | 0 | 0 | 111.8 | K127 D128 Y129 L133 E134 Q135 | K127-L131 PolarHBondContact O-N 2.75Å; D128-L131 PolarHBondContact O-N 3.47Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 2.81Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L131-L133 PolarHBondContact O-N 2.85Å; L131-E134 PolarHBondContact O-N 2.7Å; L131-Q135 WeakPolarHBondContact O-CG 3.39Å; L131-Q135 PolarHBondContact O-N 3.21Å |
| 132 | K | 98.6 | Very high | 98.4 | Very high | 132 Ų | 132 | 102.5 Ų | 102.5 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 178.9 | -174.3 | 176.5 | 179.3 | 179.9 | 0 | 111.5 | D128 Y129 E134 Q135 E136 | D128-K132 WeakPolarHBondContact O-CB 3.37Å; D128-K132 PolarHBondContact O-N 3.37Å; Y129-K132 PolarHBondContact O-N 3.43Å; K132-E134 VanDerWaalsContact C-N 3.33Å; K132-E134 PolarHBondContact O-N 2.84Å; K132-Q135 PolarHBondContact O-N 2.93Å; K132-E136 WeakPolarHBondContact O-CB 3.46Å; K132-E136 PolarHBondContact O-N 3.39Å |
| 133 | L | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 101.9 Ų | 101.9 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 177.3 | -177.7 | 64.4 | 0 | 0 | 0 | 111.7 | Y129 A130 L131 E136 S137 | Y129-L133 VanDerWaalsContact O-CB 3.27Å; Y129-L133 WeakPolarHBondContact O-CB 3.34Å; Y129-L133 PolarHBondContact O-N 3.33Å; A130-L133 PolarHBondContact O-N 3.32Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L131-L133 PolarHBondContact O-N 2.85Å; L133-E136 PolarHBondContact O-N 2.96Å; L133-S137 VanDerWaalsContact O-CB 3.25Å; L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 2.83Å |
| 134 | E | 98.3 | Very high | 98.4 | Very high | 96 Ų | 96 | 99.1 Ų | 99.1 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 177 | -178.1 | 61.6 | -161.2 | 0 | 0 | 111.9 | A130 L131 K132 K138 | A130-E134 WeakPolarHBondContact O-CB 3.4Å; A130-E134 PolarHBondContact O-N 3.31Å; L131-E134 PolarHBondContact O-N 2.7Å; K132-E134 VanDerWaalsContact C-N 3.33Å; K132-E134 PolarHBondContact O-N 2.84Å; E134-K138 WeakPolarHBondContact O-CG 3.48Å; E134-K138 PolarHBondContact O-N 3.48Å; E134-K138 WeakPolarHBondContact OE1-CE 3.33Å; E134-K138 IonicContact OE1-NZ 3.35Å |
| 135 | Q | 98.5 | Very high | 98.3 | Very high | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 176.5 | -70.9 | 174.5 | -5.2 | 0 | 0 | 112.1 | L131 K132 K138 A139 | L131-Q135 WeakPolarHBondContact O-CG 3.39Å; L131-Q135 PolarHBondContact O-N 3.21Å; K132-Q135 PolarHBondContact O-N 2.93Å; Q135-K138 PolarHBondContact O-N 3.17Å; Q135-A139 PolarHBondContact O-N 2.98Å |
| 136 | E | 98.2 | Very high | 98.3 | Very high | 124 Ų | 124 | 101.6 Ų | 101.6 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 177.8 | -174.1 | 172.3 | -174.8 | 0 | 0 | 111.5 | K132 L133 K138 A139 Y140 | K132-E136 WeakPolarHBondContact O-CB 3.46Å; K132-E136 PolarHBondContact O-N 3.39Å; L133-E136 PolarHBondContact O-N 2.96Å; E136-K138 PolarHBondContact O-N 3.35Å; E136-A139 PolarHBondContact O-N 3.44Å; E136-Y140 WeakPolarHBondContact O-CB 3.43Å; E136-Y140 PolarHBondContact O-N 3.33Å |
| 137 | S | 98.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 104.9 Ų | 104.9 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57 | -47.7 | 173.5 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | L133 A139 Y140 H141 | L133-S137 VanDerWaalsContact O-CB 3.25Å; L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 2.83Å; S137-A139 PolarHBondContact O-N 2.93Å; S137-Y140 PolarHBondContact O-N 2.98Å; S137-H141 PolarHBondContact O-CD2 3.22Å; S137-H141 PolarHBondContact O-N 2.71Å |
| 138 | K | 98.4 | Very high | 98.2 | Very high | 106 Ų | 106 | 106 Ų | 106 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175.5 | -73.1 | 178.1 | -170.6 | 173.4 | 0 | 112.2 | E134 Q135 E136 H141 R142 | E134-K138 WeakPolarHBondContact O-CG 3.48Å; E134-K138 PolarHBondContact O-N 3.48Å; E134-K138 WeakPolarHBondContact OE1-CE 3.33Å; E134-K138 IonicContact OE1-NZ 3.35Å; Q135-K138 PolarHBondContact O-N 3.17Å; E136-K138 PolarHBondContact O-N 3.35Å; K138-H141 PolarHBondContact O-N 2.84Å; K138-R142 WeakPolarHBondContact O-CG 3.45Å; K138-R142 PolarHBondContact O-N 3.2Å; K138-R142 VanDerWaalsContact O-N 3.08Å |
| 139 | A | 98.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 105 Ų | 105 | 31% | 0.314 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q135 E136 S137 H141 R142 T143 | Q135-A139 PolarHBondContact O-N 2.98Å; E136-A139 PolarHBondContact O-N 3.44Å; S137-A139 PolarHBondContact O-N 2.93Å; A139-H141 VanDerWaalsContact C-N 3.35Å; A139-H141 PolarHBondContact O-N 3.08Å; A139-R142 PolarHBondContact O-N 3.39Å; A139-T143 PolarHBondContact O-N 3.41Å; A139-T143 PolarHBondContact O-OG1 3.18Å |
| 140 | Y | 98.3 | Very high | 98.1 | Very high | 148 Ų | 148 | 104.9 Ų | 104.9 | 58% | 0.58 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.8 | -48.2 | 175.6 | 173 | -97.5 | 0 | 0 | 0 | 111.7 | E136 S137 R142 T143 N144 | E136-Y140 WeakPolarHBondContact O-CB 3.43Å; E136-Y140 PolarHBondContact O-N 3.33Å; S137-Y140 PolarHBondContact O-N 2.98Å; Y140-R142 PolarHBondContact O-N 3.4Å; Y140-T143 PolarHBondContact O-N 3.45Å; Y140-N144 HydrophobicContact CE1-CB 4.48Å; Y140-N144 WeakPolarHBondContact O-CB 3.27Å; Y140-N144 PolarHBondContact O-N 2.85Å |
| 141 | H | 98.3 | Very high | 98 | Very high | 97 Ų | 97 | 106.2 Ų | 106.2 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.4 | -77.5 | -55.9 | 0 | 0 | 0 | 112.9 | S137 K138 A139 N145 | S137-H141 PolarHBondContact O-CD2 3.22Å; S137-H141 PolarHBondContact O-N 2.71Å; K138-H141 PolarHBondContact O-N 2.84Å; A139-H141 VanDerWaalsContact C-N 3.35Å; A139-H141 PolarHBondContact O-N 3.08Å; H141-N145 VanDerWaalsContact O-CB 3.3Å; H141-N145 WeakPolarHBondContact O-CB 3.45Å; H141-N145 PolarHBondContact O-N 3.43Å; H141-N145 PolarHBondContact O-ND2 3.03Å; H141-N145 PolarHBondContact O-OD1 3.45Å |
| 142 | R | 98.1 | Very high | 97.8 | Very high | 142 Ų | 142 | 103.7 Ų | 103.7 | 54% | 0.536 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -57 | 174.2 | -73.9 | -173.6 | -65.7 | -101 | 2.3 | 111.4 | K138 A139 Y140 N144 N145 E146 | K138-R142 WeakPolarHBondContact O-CG 3.45Å; K138-R142 PolarHBondContact O-N 3.2Å; K138-R142 VanDerWaalsContact O-N 3.08Å; A139-R142 PolarHBondContact O-N 3.39Å; Y140-R142 PolarHBondContact O-N 3.4Å; R142-N144 VanDerWaalsContact C-N 3.32Å; R142-N144 PolarHBondContact O-N 2.77Å; R142-N145 PolarHBondContact O-N 2.95Å; R142-N145 VanDerWaalsContact O-N 3.12Å; R142-E146 WeakPolarHBondContact O-CG 3.25Å; R142-E146 PolarHBondContact O-N 3.4Å |
| 143 | T | 97.8 | Very high | 97.6 | Very high | 89 Ų | 89 | 102 Ų | 102 | 55% | 0.546 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | -179.1 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | A139 Y140 E146 R147 | A139-T143 PolarHBondContact O-N 3.41Å; A139-T143 PolarHBondContact O-OG1 3.18Å; Y140-T143 PolarHBondContact O-N 3.45Å; T143-E146 PolarHBondContact O-N 2.94Å; T143-R147 WeakPolarHBondContact O-CB 3.25Å; T143-R147 PolarHBondContact O-N 3Å |
| 144 | N | 97.9 | Very high | 97.4 | Very high | 35 Ų | 35 | 102.7 Ų | 102.7 | 19% | 0.187 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 176.9 | 175.5 | 78.8 | 0 | 0 | 0 | 112.2 | Y140 R142 R148 | Y140-N144 HydrophobicContact CE1-CB 4.48Å; Y140-N144 WeakPolarHBondContact O-CB 3.27Å; Y140-N144 PolarHBondContact O-N 2.85Å; R142-N144 VanDerWaalsContact C-N 3.32Å; R142-N144 PolarHBondContact O-N 2.77Å; N144-R148 WeakPolarHBondContact O-CG 3.41Å; N144-R148 PolarHBondContact O-N 2.93Å |
| 145 | N | 97.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 101.6 Ų | 101.6 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 175.5 | -72.1 | -12.5 | 0 | 0 | 0 | 111.2 | H141 R142 R147 R148 T149 | H141-N145 VanDerWaalsContact O-CB 3.3Å; H141-N145 WeakPolarHBondContact O-CB 3.45Å; H141-N145 PolarHBondContact O-N 3.43Å; H141-N145 PolarHBondContact O-ND2 3.03Å; H141-N145 PolarHBondContact O-OD1 3.45Å; R142-N145 PolarHBondContact O-N 2.95Å; R142-N145 VanDerWaalsContact O-N 3.12Å; N145-R147 PolarHBondContact O-N 3.19Å; N145-R148 WeakPolarHBondContact O-CB 3.41Å; N145-R148 PolarHBondContact O-N 2.88Å; N145-R148 VanDerWaalsContact O-N 3.12Å; N145-T149 PolarHBondContact O-N 3.31Å; N145-T149 PolarHBondContact O-OG1 3.44Å; N145-T149 VanDerWaalsContact O-OG1 3.14Å |
| 146 | E | 97.6 | Very high | 96.8 | Very high | 104 Ų | 104 | 102.9 Ų | 102.9 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 173.4 | -71 | 163.8 | -166.5 | 0 | 0 | 111.5 | R142 T143 R148 T149 Y150 | R142-E146 WeakPolarHBondContact O-CG 3.25Å; R142-E146 PolarHBondContact O-N 3.4Å; T143-E146 PolarHBondContact O-N 2.94Å; E146-R148 VanDerWaalsContact C-N 3.3Å; E146-R148 PolarHBondContact O-N 3.32Å; E146-T149 WeakPolarHBondContact O-CB 3.26Å; E146-T149 PolarHBondContact O-N 2.85Å; E146-T149 VanDerWaalsContact O-N 3.12Å; E146-Y150 HydrophobicContact CB-CE2 4.39Å; E146-Y150 WeakPolarHBondContact O-CD2 3.42Å; E146-Y150 PolarHBondContact O-N 3.38Å |
| 147 | R | 97.8 | Very high | 96.2 | Very high | 168 Ų | 168 | 101 Ų | 101 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56 | -42.9 | 174.4 | 179.6 | -176.2 | 170.3 | -173.4 | -0.8 | 112.2 | T143 N145 T149 Y150 I151 | T143-R147 WeakPolarHBondContact O-CB 3.25Å; T143-R147 PolarHBondContact O-N 3Å; N145-R147 PolarHBondContact O-N 3.19Å; R147-T149 VanDerWaalsContact C-N 3.35Å; R147-Y150 PolarHBondContact O-N 3.45Å; R147-I151 HydrophobicContact CG-CD1 3.95Å; R147-I151 VanDerWaalsContact O-CG1 3.27Å; R147-I151 WeakPolarHBondContact O-CG1 3.35Å; R147-I151 PolarHBondContact O-N 2.98Å |
| 148 | R | 97.4 | Very high | 95.4 | Very high | 170 Ų | 170 | 101.9 Ų | 101.9 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 177.5 | -76.6 | 178.9 | 174 | -147.8 | 0.2 | 111.7 | N144 N145 E146 I151 A152 | N144-R148 WeakPolarHBondContact O-CG 3.41Å; N144-R148 PolarHBondContact O-N 2.93Å; N145-R148 WeakPolarHBondContact O-CB 3.41Å; N145-R148 PolarHBondContact O-N 2.88Å; N145-R148 VanDerWaalsContact O-N 3.12Å; E146-R148 VanDerWaalsContact C-N 3.3Å; E146-R148 PolarHBondContact O-N 3.32Å; R148-I151 PolarHBondContact O-N 2.94Å; R148-A152 PolarHBondContact O-N 3.41Å |
| 149 | T | 97.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 98.4 Ų | 98.4 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -51.4 | 174.5 | -57 | 0 | 0 | 0 | 0 | 110.9 | N145 E146 R147 I151 A152 E153 | N145-T149 PolarHBondContact O-N 3.31Å; N145-T149 PolarHBondContact O-OG1 3.44Å; N145-T149 VanDerWaalsContact O-OG1 3.14Å; E146-T149 WeakPolarHBondContact O-CB 3.26Å; E146-T149 PolarHBondContact O-N 2.85Å; E146-T149 VanDerWaalsContact O-N 3.12Å; R147-T149 VanDerWaalsContact C-N 3.35Å; T149-I151 VanDerWaalsContact C-N 3.34Å; T149-I151 PolarHBondContact O-N 3.35Å; T149-A152 WeakPolarHBondContact O-CB 3.44Å; T149-A152 PolarHBondContact O-N 3.36Å; T149-E153 WeakPolarHBondContact O-CG 3.38Å; T149-E153 PolarHBondContact O-N 2.91Å |
| 150 | Y | 96.8 | Very high | 93.1 | Very high | 151 Ų | 151 | 102.5 Ų | 102.5 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59 | -41.9 | 178.1 | -70.9 | -55.8 | 0 | 0 | 0 | 113.1 | E146 R147 A152 E153 M154 | E146-Y150 HydrophobicContact CB-CE2 4.39Å; E146-Y150 WeakPolarHBondContact O-CD2 3.42Å; E146-Y150 PolarHBondContact O-N 3.38Å; R147-Y150 PolarHBondContact O-N 3.45Å; Y150-A152 VanDerWaalsContact C-N 3.29Å; Y150-A152 PolarHBondContact O-N 3.42Å; Y150-E153 PolarHBondContact O-N 2.86Å; Y150-M154 WeakPolarHBondContact O-CB 3.42Å; Y150-M154 VanDerWaalsContact O-CG 3.32Å; Y150-M154 WeakPolarHBondContact O-CG 3.44Å; Y150-M154 PolarHBondContact O-N 3.3Å |
| 151 | I | 96.4 | Very high | 91.6 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176 | -70 | 167.9 | 0 | 0 | 0 | 111 | R147 R148 T149 S155 | R147-I151 HydrophobicContact CG-CD1 3.95Å; R147-I151 VanDerWaalsContact O-CG1 3.27Å; R147-I151 WeakPolarHBondContact O-CG1 3.35Å; R147-I151 PolarHBondContact O-N 2.98Å; R148-I151 PolarHBondContact O-N 2.94Å; T149-I151 VanDerWaalsContact C-N 3.34Å; T149-I151 PolarHBondContact O-N 3.35Å; I151-S155 WeakPolarHBondContact O-CB 3.37Å; I151-S155 PolarHBondContact O-N 2.95Å; I151-S155 PolarHBondContact O-OG 3.29Å |
| 152 | A | 95.3 | Very high | 90 | Very high | 47 Ų | 47 | 101.1 Ų | 101.1 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R148 T149 Y150 S155 Q156 | R148-A152 PolarHBondContact O-N 3.41Å; T149-A152 WeakPolarHBondContact O-CB 3.44Å; T149-A152 PolarHBondContact O-N 3.36Å; Y150-A152 VanDerWaalsContact C-N 3.29Å; Y150-A152 PolarHBondContact O-N 3.42Å; A152-S155 WeakPolarHBondContact O-CB 3.27Å; A152-S155 PolarHBondContact O-N 3.32Å; A152-Q156 WeakPolarHBondContact O-CG 3.43Å; A152-Q156 PolarHBondContact O-N 2.92Å |
| 153 | E | 94.9 | Very high | 88.3 | Confident | 98 Ų | 98 | 98.5 Ų | 98.5 | 46% | 0.458 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 175.9 | -70.6 | 173.8 | 178.4 | 0 | 0 | 111.9 | T149 Y150 S155 Q156 V157 | T149-E153 WeakPolarHBondContact O-CG 3.38Å; T149-E153 PolarHBondContact O-N 2.91Å; Y150-E153 PolarHBondContact O-N 2.86Å; E153-S155 PolarHBondContact O-N 3.48Å; E153-Q156 PolarHBondContact O-N 3.46Å; E153-Q156 VanDerWaalsContact O-N 3.14Å; E153-V157 WeakPolarHBondContact O-CG2 3.34Å; E153-V157 PolarHBondContact O-N 3.33Å |
| 154 | M | 93.1 | Very high | 86.5 | Confident | 132 Ų | 132 | 97.1 Ų | 97.1 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58 | -38.3 | 175.9 | -72.7 | 179.2 | 69.8 | 0 | 0 | 112.2 | Y150 S158 | Y150-M154 WeakPolarHBondContact O-CB 3.42Å; Y150-M154 VanDerWaalsContact O-CG 3.32Å; Y150-M154 WeakPolarHBondContact O-CG 3.44Å; Y150-M154 PolarHBondContact O-N 3.3Å; M154-S158 VanDerWaalsContact O-CB 3.26Å; M154-S158 WeakPolarHBondContact O-CB 3.26Å; M154-S158 PolarHBondContact O-N 2.97Å; M154-S158 PolarHBondContact O-OG 3.38Å |
| 155 | S | 92.8 | Very high | 84.7 | Confident | 74 Ų | 74 | 102.8 Ų | 102.8 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | I151 A152 E153 S158 G159 | I151-S155 WeakPolarHBondContact O-CB 3.37Å; I151-S155 PolarHBondContact O-N 2.95Å; I151-S155 PolarHBondContact O-OG 3.29Å; A152-S155 WeakPolarHBondContact O-CB 3.27Å; A152-S155 PolarHBondContact O-N 3.32Å; E153-S155 PolarHBondContact O-N 3.48Å; S155-S158 PolarHBondContact O-N 2.93Å; S155-G159 PolarHBondContact O-N 3.45Å |
| 156 | Q | 91.8 | Very high | 82.9 | Confident | 143 Ų | 143 | 105.6 Ų | 105.6 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -47.5 | 175.6 | -72.3 | -178.3 | 40.9 | 0 | 0 | 111.8 | A152 E153 S158 G159 L160 | A152-Q156 WeakPolarHBondContact O-CG 3.43Å; A152-Q156 PolarHBondContact O-N 2.92Å; E153-Q156 PolarHBondContact O-N 3.46Å; E153-Q156 VanDerWaalsContact O-N 3.14Å; Q156-S158 VanDerWaalsContact C-N 3.32Å; Q156-S158 PolarHBondContact O-N 3.48Å; Q156-G159 PolarHBondContact O-N 2.85Å; Q156-L160 PolarHBondContact O-N 3.19Å |
| 157 | V | 86.5 | Confident | 81 | Confident | 83 Ų | 83 | 107.4 Ų | 107.4 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | E153 G159 L160 N161 | E153-V157 WeakPolarHBondContact O-CG2 3.34Å; E153-V157 PolarHBondContact O-N 3.33Å; V157-G159 PolarHBondContact O-N 3.36Å; V157-L160 PolarHBondContact O-N 2.99Å; V157-N161 WeakPolarHBondContact O-CB 3.5Å; V157-N161 PolarHBondContact O-N 3.19Å; V157-N161 PolarHBondContact O-ND2 3.42Å |
| 158 | S | 81.4 | Confident | 79.1 | Confident | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | M154 S155 Q156 Q162 | M154-S158 VanDerWaalsContact O-CB 3.26Å; M154-S158 WeakPolarHBondContact O-CB 3.26Å; M154-S158 PolarHBondContact O-N 2.97Å; M154-S158 PolarHBondContact O-OG 3.38Å; S155-S158 PolarHBondContact O-N 2.93Å; Q156-S158 VanDerWaalsContact C-N 3.32Å; Q156-S158 PolarHBondContact O-N 3.48Å; S158-Q162 WeakPolarHBondContact O-CG 3.24Å; S158-Q162 PolarHBondContact O-N 3.49Å; S158-Q162 VanDerWaalsContact O-N 3.12Å |
| 159 | G | 74.6 | Confident | 77.1 | Confident | 33 Ų | 33 | 105.5 Ų | 105.5 | 34% | 0.34 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S155 Q156 V157 N161 Q162 V163 | S155-G159 PolarHBondContact O-N 3.45Å; Q156-G159 PolarHBondContact O-N 2.85Å; V157-G159 PolarHBondContact O-N 3.36Å; G159-N161 VanDerWaalsContact C-N 3.34Å; G159-N161 PolarHBondContact O-N 2.99Å; G159-Q162 PolarHBondContact O-N 3.44Å; G159-V163 WeakPolarHBondContact O-CG2 3.4Å; G159-V163 PolarHBondContact O-N 3.11Å |
| 160 | L | 72.8 | Confident | 75 | Confident | 124 Ų | 124 | 109.1 Ų | 109.1 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.6 | -42.2 | 177.3 | -163.2 | 77.1 | 0 | 0 | 0 | 111.3 | Q156 V157 Q162 V163 S164 | Q156-L160 PolarHBondContact O-N 3.19Å; V157-L160 PolarHBondContact O-N 2.99Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 2.99Å; L160-V163 PolarHBondContact O-N 3.3Å; L160-S164 WeakPolarHBondContact O-CB 3.3Å; L160-S164 PolarHBondContact O-N 3.01Å |
| 161 | N | 67.9 | Low | 73 | Confident | 88 Ų | 88 | 105.9 Ų | 105.9 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -34.1 | 175.5 | -72.3 | -22.4 | 0 | 0 | 0 | 112.5 | V157 G159 K165 | V157-N161 WeakPolarHBondContact O-CB 3.5Å; V157-N161 PolarHBondContact O-N 3.19Å; V157-N161 PolarHBondContact O-ND2 3.42Å; G159-N161 VanDerWaalsContact C-N 3.34Å; G159-N161 PolarHBondContact O-N 2.99Å; N161-K165 WeakPolarHBondContact O-CB 3.38Å; N161-K165 WeakPolarHBondContact O-CG 3.28Å; N161-K165 PolarHBondContact O-N 3Å; N161-K165 VanDerWaalsContact O-N 3.08Å |
| 162 | Q | 64.6 | Low | 70.6 | Confident | 128 Ų | 128 | 108.3 Ų | 108.3 | 60% | 0.598 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.2 | -39.6 | 173.2 | -77 | -170 | 41.1 | 0 | 0 | 112.9 | S158 G159 L160 K166 | S158-Q162 WeakPolarHBondContact O-CG 3.24Å; S158-Q162 PolarHBondContact O-N 3.49Å; S158-Q162 VanDerWaalsContact O-N 3.12Å; G159-Q162 PolarHBondContact O-N 3.44Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 2.99Å; Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 PolarHBondContact O-N 2.89Å |
| 163 | V | 62.4 | Low | 68.2 | Low | 87 Ų | 87 | 111.4 Ų | 111.4 | 53% | 0.527 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -43.4 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | G159 L160 K166 Q167 | G159-V163 WeakPolarHBondContact O-CG2 3.4Å; G159-V163 PolarHBondContact O-N 3.11Å; L160-V163 PolarHBondContact O-N 3.3Å; V163-K166 PolarHBondContact O-N 3.41Å; V163-Q167 VanDerWaalsContact O-CB 3.31Å; V163-Q167 WeakPolarHBondContact O-CB 3.42Å; V163-Q167 PolarHBondContact O-N 3.01Å |
| 164 | S | 60.3 | Low | 66.2 | Low | 61 Ų | 61 | 118.8 Ų | 118.8 | 43% | 0.427 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.3 | -43.4 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | L160 Q167 Q168 | L160-S164 WeakPolarHBondContact O-CB 3.3Å; L160-S164 PolarHBondContact O-N 3.01Å; S164-Q167 PolarHBondContact O-N 2.9Å; S164-Q168 PolarHBondContact O-N 2.88Å |
| 165 | K | 59.9 | Low | 63.7 | Low | 154 Ų | 154 | 121.5 Ų | 121.5 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.8 | -39.1 | 175.7 | -77.2 | -177.7 | 178.3 | -175.9 | 0 | 113.3 | N161 Q168 M169 | N161-K165 WeakPolarHBondContact O-CB 3.38Å; N161-K165 WeakPolarHBondContact O-CG 3.28Å; N161-K165 PolarHBondContact O-N 3Å; N161-K165 VanDerWaalsContact O-N 3.08Å; K165-Q168 PolarHBondContact O-N 3.44Å; K165-M169 PolarHBondContact O-N 3.37Å; K165-M169 VanDerWaalsContact O-N 3.11Å |
| 166 | K | 58.9 | Low | 61.5 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66 | -41.5 | 174.4 | -83.3 | -175.6 | 175.6 | 179.1 | 0 | 111.8 | Q162 V163 Q168 M169 D170 | Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 PolarHBondContact O-N 2.89Å; V163-K166 PolarHBondContact O-N 3.41Å; K166-Q168 VanDerWaalsContact C-N 3.31Å; K166-Q168 PolarHBondContact O-N 2.95Å; K166-M169 PolarHBondContact O-N 3.43Å; K166-M169 VanDerWaalsContact O-N 3.15Å; K166-D170 PolarHBondContact O-N 3.5Å |
| 167 | Q | 59.2 | Low | 58.8 | Low | 142 Ų | 142 | 127.7 Ų | 127.7 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.6 | -28.9 | 179 | -162.9 | 156.8 | -0.8 | 0 | 0 | 112.8 | V163 S164 | V163-Q167 VanDerWaalsContact O-CB 3.31Å; V163-Q167 WeakPolarHBondContact O-CB 3.42Å; V163-Q167 PolarHBondContact O-N 3.01Å; S164-Q167 PolarHBondContact O-N 2.9Å |
| 168 | Q | 57.1 | Low | 56.5 | Low | 137 Ų | 137 | 130.2 Ų | 130.2 | 64% | 0.64 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.2 | -33.3 | 168.8 | -84.7 | -172.2 | 26.1 | 0 | 0 | 113.7 | S164 K165 K166 | S164-Q168 PolarHBondContact O-N 2.88Å; K165-Q168 PolarHBondContact O-N 3.44Å; K166-Q168 VanDerWaalsContact C-N 3.31Å; K166-Q168 PolarHBondContact O-N 2.95Å |
| 169 | M | 55.5 | Low | 54.9 | Low | 160 Ų | 160 | 134.2 Ų | 134.2 | 79% | 0.788 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.8 | -32 | 177.1 | -81.1 | -158.6 | 134.7 | 0 | 0 | 113.4 | K165 K166 A171 | K165-M169 PolarHBondContact O-N 3.37Å; K165-M169 VanDerWaalsContact O-N 3.11Å; K166-M169 PolarHBondContact O-N 3.43Å; K166-M169 VanDerWaalsContact O-N 3.15Å; M169-A171 VanDerWaalsContact C-N 3.3Å; M169-A171 PolarHBondContact O-N 3.15Å |
| 170 | D | 53.1 | Low | 53.1 | Low | 152 Ų | 152 | 139.5 Ų | 139.5 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -11.3 | 176.9 | -81.1 | -23.6 | 0 | 0 | 0 | 113.6 | K166 | K166-D170 PolarHBondContact O-N 3.5Š|
| 171 | A | 54.3 | Low | 51.9 | Low | 82 Ų | 82 | 142.1 Ų | 142.1 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 0.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M169 | M169-A171 VanDerWaalsContact C-N 3.3Å; M169-A171 PolarHBondContact O-N 3.15Å |
| 172 | L | 46.9 | Very low | 50.4 | Low | 136 Ų | 136 | 145 Ų | 145 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -97.2 | 126.6 | -176.6 | -122.4 | 133.3 | 0 | 0 | 0 | 111.3 | R174 | L172-R174 PolarHBondContact O-N 3.45Š|
| 173 | P | 43.5 | Very low | 48.9 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -65.5 | 125.3 | 176.8 | -14.3 | 27.5 | 0 | 0 | 0 | 110.4 | M175 | P173-M175 PolarHBondContact O-N 2.93Š| ||
| 174 | R | 53.9 | Low | 48 | Very low | 252 Ų | 252 | 149.3 Ų | 149.3 | 95% | 0.951 | 76% | 0.757 | S | S | * | * | trans | -62.1 | 94.6 | 173.8 | -173.3 | -179.9 | 175.5 | -166.4 | -0.7 | 109.9 | L172 | L172-R174 PolarHBondContact O-N 3.45Š| ||
| 175 | M | 39.6 | Very low | 46.8 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 93% | 0.931 | 78% | 0.781 | S | S | * | * | trans | -90.2 | 128.4 | 171.9 | -151.3 | 168 | 155.1 | 0 | 0 | 109.9 | P173 | P173-M175 PolarHBondContact O-N 2.93Š| ||
| 176 | K | 47.3 | Very low | 46.2 | Very low | 188 Ų | 188 | 157.9 Ų | 157.9 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -85.6 | 159.5 | -173.8 | -170 | -176.3 | 179.6 | -169.6 | 0 | 109.9 | ||||
| 177 | E | 36.2 | Very low | 46.1 | Very low | 160 Ų | 160 | 155.7 Ų | 155.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 98.9 | 138.5 | 170.2 | -66.7 | -164.3 | 127.9 | 0 | 0 | 116.4 | ||||
| 178 | N | 37.3 | Very low | 44.9 | Very low | 135 Ų | 135 | 155.7 Ų | 155.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | -154 | 165.1 | -0.4 | -105.6 | -30 | 0 | 0 | 0 | 110.9 | ||||
| 179 | L | 47.8 | Very low | 44.2 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -74.3 | 118.9 | -169.9 | -162.3 | 86.7 | 0 | 0 | 0 | 113.8 | ||||
| 180 | V | 35.8 | Very low | 43.8 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -140.5 | 129.5 | 149.4 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 181 | K | 49.5 | Very low | 43.6 | Very low | 178 Ų | 178 | 158.2 Ų | 158.2 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | -69.6 | 140.8 | -172.7 | -59.2 | 164.5 | 178.4 | 173.8 | 0 | 111 | ||||
| 182 | T | 34.6 | Very low | 43 | Very low | 148 Ų | 148 | 161.2 Ų | 161.2 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | -176.1 | 112.7 | 121.3 | -68.3 | 0 | 0 | 0 | 0 | 108 | |||||
| 183 | G | 33.3 | Very low | 42.4 | Very low | 72 Ų | 72 | 162 Ų | 162 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | 118.9 | 92 | 125.2 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 184 | R | 44.4 | Very low | 42.4 | Very low | 234 Ų | 234 | 164.2 Ų | 164.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -58.4 | 142.5 | 174.2 | -56.5 | -175.9 | -169.2 | -112.2 | 6.8 | 109.8 | ||||
| 185 | Y | 33.7 | Very low | 41.9 | Very low | 238 Ų | 238 | 156.9 Ų | 156.9 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | -165.3 | 132.6 | 117.6 | -104.9 | -80.3 | 0 | 0 | 0 | 109.5 | |||||
| 186 | N | 48 | Very low | 42.5 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -96.2 | 167.9 | -173 | -109.1 | -15.1 | 0 | 0 | 0 | 111.7 | ||||
| 187 | P | 57.1 | Low | 42.4 | Very low | 102 Ų | 102 | 158.5 Ų | 158.5 | 66% | 0.662 | 81% | 0.812 | S | S | * | * | trans | -93 | 158.9 | -155.2 | 37.4 | -35.7 | 0 | 0 | 0 | 113.5 | ||||
| 188 | V | 33.8 | Very low | 43.1 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -114.8 | 113.9 | 167.1 | 174 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 189 | N | 42.8 | Very low | 43.8 | Very low | 134 Ų | 134 | 153.5 Ų | 153.5 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | trans | -50 | 147.3 | 167.7 | -58.2 | -66.3 | 0 | 0 | 0 | 112.2 | ||||
| 190 | Q | 46.6 | Very low | 43.6 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | -155.8 | 121.1 | 118.1 | -110.5 | 172.8 | 57.2 | 0 | 0 | 113.4 | |||||
| 191 | K | 48.2 | Very low | 44.5 | Very low | 185 Ų | 185 | 154.9 Ų | 154.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -89.1 | 123.1 | 170.1 | 173.6 | -174.8 | -177.2 | -178.1 | 0 | 107.1 | ||||
| 192 | I | 42 | Very low | 44.6 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -135.7 | 87.4 | 156.3 | -54.8 | 179.7 | 0 | 0 | 0 | 105.4 | ||||
| 193 | M | 35.2 | Very low | 45.3 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | 59.9 | 104.1 | 101.1 | -75.7 | -163.5 | 62.1 | 0 | 0 | 113.7 | A195 | M193-A195 PolarHBondContact O-N 3.07Š| |||
| 194 | N | 43.8 | Very low | 46 | Very low | 159 Ų | 159 | 157.7 Ų | 157.7 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -54.8 | 117.1 | 164.1 | -61.2 | -66.4 | 0 | 0 | 0 | 111 | ||||
| 195 | A | 42.3 | Very low | 46.1 | Very low | 98 Ų | 98 | 157.7 Ų | 157.7 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -92 | 96.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | M193 K197 | M193-A195 PolarHBondContact O-N 3.07Å; A195-K197 PolarHBondContact O-N 3.17Å; A195-K197 VanDerWaalsContact O-N 3.08Å | ||
| 196 | K | 52.4 | Low | 47.1 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 90% | 0.9 | 80% | 0.8 | S | S | * | * | trans | -61 | 105.1 | 163 | -77.4 | -179.2 | 174.4 | 179.6 | 0 | 108.3 | ||||
| 197 | K | 45.9 | Very low | 47.2 | Very low | 205 Ų | 205 | 150.3 Ų | 150.3 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -95.5 | 104 | 159.3 | -116.7 | 178.3 | -179.1 | 177.8 | 0 | 107.7 | A195 | A195-K197 PolarHBondContact O-N 3.17Å; A195-K197 VanDerWaalsContact O-N 3.08Å | ||
| 198 | G | 51.3 | Low | 47.3 | Very low | 55 Ų | 55 | 153.5 Ų | 153.5 | 57% | 0.567 | 80% | 0.804 | S | S | * | * | trans | -67.1 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V200 | G198-V200 PolarHBondContact O-N 3.39Š| ||
| 199 | P | 50.5 | Low | 49 | Very low | 134 Ų | 134 | 154.4 Ų | 154.4 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 123 | -167.9 | -11.7 | 26.6 | 0 | 0 | 0 | 111.4 | K201 | P199-K201 PolarHBondContact O-N 2.98Š|
| 200 | V | 45.2 | Very low | 50.2 | Low | 136 Ų | 136 | 153.8 Ų | 153.8 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 117.9 | 171 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | G198 K202 | G198-V200 PolarHBondContact O-N 3.39Å; V200-K202 PolarHBondContact O-N 2.87Å |
| 201 | K | 53.5 | Low | 50.9 | Low | 189 Ų | 189 | 154.4 Ų | 154.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124.2 | 172.3 | -68.8 | 179.5 | 176.3 | -179.9 | 0 | 109.3 | P199 V203 | P199-K201 PolarHBondContact O-N 2.98Å; K201-V203 PolarHBondContact O-N 3.23Å |
| 202 | K | 51.1 | Low | 51.5 | Low | 209 Ų | 209 | 153.8 Ų | 153.8 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 116.1 | 169.1 | -74.9 | -177.1 | 175.6 | -179.6 | 0 | 108.8 | V200 | V200-K202 PolarHBondContact O-N 2.87Š|
| 203 | V | 49.3 | Very low | 52.5 | Low | 131 Ų | 131 | 154 Ų | 154 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -87.9 | 114.6 | 165 | -177.2 | 0 | 0 | 0 | 0 | 107 | K201 R205 | K201-V203 PolarHBondContact O-N 3.23Å; V203-R205 PolarHBondContact O-N 3.13Å | ||
| 204 | S | 48.1 | Very low | 53.7 | Low | 117 Ų | 117 | 156.2 Ų | 156.2 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -64 | 113.1 | 168.1 | -79.4 | 0 | 0 | 0 | 0 | 109 | S206 | S204-S206 PolarHBondContact O-N 3.46Š| ||
| 205 | R | 47.7 | Very low | 54.2 | Low | 233 Ų | 233 | 156.1 Ų | 156.1 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -75.6 | 109.8 | 164.4 | -86.8 | -177.4 | 167.8 | -179.3 | -4.1 | 108.2 | V203 | V203-R205 PolarHBondContact O-N 3.13Š| ||
| 206 | S | 53.8 | Low | 54.9 | Low | 92 Ų | 92 | 159.1 Ų | 159.1 | 64% | 0.643 | 84% | 0.84 | S | S | * | * | trans | -73 | 121.7 | 167.7 | 179.7 | 0 | 0 | 0 | 0 | 109 | S204 H208 | S204-S206 PolarHBondContact O-N 3.46Å; S206-H208 PolarHBondContact O-N 3.39Å; S206-H208 PolarHBondContact OG-CD2 3.05Å; S206-H208 VanDerWaalsContact OG-CD2 3.31Å | ||
| 207 | N | 50.5 | Low | 55 | Low | 149 Ų | 149 | 156.4 Ų | 156.4 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | -90 | 90.4 | 174.2 | -71.2 | -31.3 | 0 | 0 | 0 | 108.9 | ||||
| 208 | H | 59.1 | Low | 55.5 | Low | 168 Ų | 168 | 153.6 Ų | 153.6 | 78% | 0.778 | 83% | 0.833 | S | S | * | * | trans | -127 | 121.3 | 164.9 | -69.7 | -45.6 | 0 | 0 | 0 | 110.2 | S206 | S206-H208 PolarHBondContact O-N 3.39Å; S206-H208 PolarHBondContact OG-CD2 3.05Å; S206-H208 VanDerWaalsContact OG-CD2 3.31Å | ||
| 209 | L | 69.1 | Low | 55.8 | Low | 162 Ų | 162 | 159.8 Ų | 159.8 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 149.7 | 169.9 | -69.2 | 167 | 0 | 0 | 0 | 109.6 | ||
| 210 | P | 68 | Low | 56.1 | Low | 120 Ų | 120 | 161.5 Ų | 161.5 | 78% | 0.779 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 138.8 | 178.5 | 23.4 | -24.3 | 0 | 0 | 0 | 110.8 | ||
| 211 | K | 62.9 | Low | 56.9 | Low | 197 Ų | 197 | 163.3 Ų | 163.3 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 132.9 | 176.9 | -68.4 | -178.6 | 177.9 | -178.7 | 0 | 109.9 | ||
| 212 | L | 59.5 | Low | 57.2 | Low | 172 Ų | 172 | 161.3 Ų | 161.3 | 90% | 0.901 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 126.8 | 165.2 | -66.6 | 168.4 | 0 | 0 | 0 | 107.8 | ||
| 213 | N | 62.9 | Low | 57.7 | Low | 148 Ų | 148 | 157.3 Ų | 157.3 | 79% | 0.791 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 148.5 | 174.3 | -70.7 | -32.2 | 0 | 0 | 0 | 110.2 | ||
| 214 | P | 61.3 | Low | 58.4 | Low | 199 Ų | 199 | 159.7 Ų | 159.7 | 100% | 1.292 | 85% | 0.853 | S | S | * | * | trans | -69.5 | 0 | 174.1 | 30.5 | -34.4 | 0 | 0 | 0 | 113 |
Retrieved 214 of 214 residues in 98 ms
(Link to these results)