| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.9 | Very low | 54.8 | Low | 240 Ų | 240 | 145.6 Ų | 145.6 | 100% | 1.182 | 83% | 0.834 | S | S | * | * | 0 | 102.2 | 0 | -72.7 | 170.3 | 127 | 0 | 0 | 108.3 | |||||
| 2 | T | 44.9 | Very low | 54.8 | Low | 144 Ų | 144 | 140.7 Ų | 140.7 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -158.8 | 86.3 | 158.6 | 44.7 | 0 | 0 | 0 | 0 | 107.6 | S4 | T2-S4 PolarHBondContact O-N 3.12Š| ||
| 3 | S | 42.1 | Very low | 54.3 | Low | 125 Ų | 125 | 145.6 Ų | 145.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -72.5 | 113.8 | 170.2 | -56.2 | 0 | 0 | 0 | 0 | 108 | S5 | S3-S5 PolarHBondContact O-N 2.61Å; S3-S5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | S | 53.3 | Low | 54.5 | Low | 120 Ų | 120 | 147.4 Ų | 147.4 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -68.8 | 102 | 171.6 | -178 | 0 | 0 | 0 | 0 | 108.7 | T2 A6 | T2-S4 PolarHBondContact O-N 3.12Å; S4-A6 PolarHBondContact O-N 3.08Å; S4-A6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | S | 58.1 | Low | 54.6 | Low | 115 Ų | 115 | 154.1 Ų | 154.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -74.4 | 99.6 | 173.5 | -167.4 | 0 | 0 | 0 | 0 | 108.4 | S3 | S3-S5 PolarHBondContact O-N 2.61Å; S3-S5 VanDerWaalsContact O-N 3.08Å | ||
| 6 | A | 58.1 | Low | 54.6 | Low | 72 Ų | 72 | 151.9 Ų | 151.9 | 60% | 0.595 | 81% | 0.812 | S | S | * | * | trans | -61.5 | 134.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.2 | S4 R8 | S4-A6 PolarHBondContact O-N 3.08Å; S4-A6 VanDerWaalsContact O-N 3.12Å; A6-R8 PolarHBondContact O-N 3.23Å | ||
| 7 | P | 59.5 | Low | 54.7 | Low | 126 Ų | 126 | 149.5 Ų | 149.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -64.8 | 111.1 | -179.4 | 25.2 | -31.4 | 0 | 0 | 0 | 109.2 | M9 | P7-M9 PolarHBondContact O-N 3.4Š| ||
| 8 | R | 68 | Low | 54.9 | Low | 234 Ų | 234 | 147.1 Ų | 147.1 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -75.2 | 115.2 | 171.7 | -76.8 | -177 | 175.7 | -103.9 | 0.9 | 108.4 | A6 V10 | A6-R8 PolarHBondContact O-N 3.23Å; R8-V10 PolarHBondContact O-N 3.43Å; R8-V10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | M | 62.4 | Low | 55 | Low | 185 Ų | 185 | 145.5 Ų | 145.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 109.2 | 171.1 | -66.3 | -178.8 | 66.2 | 0 | 0 | 109.5 | P7 N11 | P7-M9 PolarHBondContact O-N 3.4Å; M9-N11 PolarHBondContact O-N 3.3Å | ||
| 10 | V | 60.1 | Low | 55.4 | Low | 127 Ų | 127 | 150.4 Ų | 150.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -83.5 | 104.1 | 169 | 171.4 | 0 | 0 | 0 | 0 | 107.3 | R8 S12 | R8-V10 PolarHBondContact O-N 3.43Å; R8-V10 VanDerWaalsContact O-N 3.11Å; V10-S12 VanDerWaalsContact C-N 3.35Å; V10-S12 PolarHBondContact O-N 3.23Å | ||
| 11 | N | 49.2 | Very low | 55.4 | Low | 114 Ų | 114 | 148 Ų | 148 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | trans | -76.4 | 89.4 | 175.6 | -157.5 | 41.5 | 0 | 0 | 0 | 109 | M9 Y13 | M9-N11 PolarHBondContact O-N 3.3Å; N11-Y13 HydrophobicContact CB-CE1 4.39Å; N11-Y13 WeakPolarHBondContact ND2-CE1 3.42Å; N11-Y13 VanDerWaalsContact O-CE2 3.3Å; N11-Y13 WeakPolarHBondContact O-CE2 3.27Å; N11-Y13 PolarHBondContact O-N 2.62Å | ||
| 12 | S | 54.4 | Low | 55.8 | Low | 86 Ų | 86 | 141.1 Ų | 141.1 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | -79.7 | 108.4 | 170.9 | 63.7 | 0 | 0 | 0 | 0 | 108.9 | V10 K14 | V10-S12 VanDerWaalsContact C-N 3.35Å; V10-S12 PolarHBondContact O-N 3.23Å; S12-K14 PolarHBondContact O-N 3.45Å | ||
| 13 | Y | 49.5 | Very low | 56.4 | Low | 205 Ų | 205 | 141.6 Ų | 141.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 32.7 | -176.5 | -42.6 | -87.2 | 0 | 0 | 0 | 114.2 | N11 R15 | N11-Y13 HydrophobicContact CB-CE1 4.39Å; N11-Y13 WeakPolarHBondContact ND2-CE1 3.42Å; N11-Y13 VanDerWaalsContact O-CE2 3.3Å; N11-Y13 WeakPolarHBondContact O-CE2 3.27Å; N11-Y13 PolarHBondContact O-N 2.62Å; Y13-R15 PolarHBondContact O-N 3.25Å | ||
| 14 | K | 56.6 | Low | 57 | Low | 171 Ų | 171 | 140.5 Ų | 140.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -83.1 | 115.3 | 168.6 | -65.3 | -65.9 | 178.6 | 178.6 | 0 | 106.3 | S12 T16 | S12-K14 PolarHBondContact O-N 3.45Å; K14-T16 PolarHBondContact O-N 3.41Å | ||
| 15 | R | 56.5 | Low | 57.2 | Low | 248 Ų | 248 | 141.3 Ų | 141.3 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | trans | -55.4 | 92.1 | 167.9 | -85.8 | -178.9 | -81.3 | -94.2 | 0.5 | 108 | Y13 S17 | Y13-R15 PolarHBondContact O-N 3.25Å; R15-S17 PolarHBondContact O-N 3.44Å | ||
| 16 | T | 53.7 | Low | 57.4 | Low | 119 Ų | 119 | 137.5 Ų | 137.5 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 122.6 | 161.4 | 54.4 | 0 | 0 | 0 | 0 | 104.7 | K14 S18 | K14-T16 PolarHBondContact O-N 3.41Å; T16-S18 PolarHBondContact O-N 3.49Å; T16-S18 VanDerWaalsContact O-N 3.08Å |
| 17 | S | 55.9 | Low | 57.6 | Low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 121.3 | 166.9 | 57.6 | 0 | 0 | 0 | 0 | 106.1 | R15 P19 | R15-S17 PolarHBondContact O-N 3.44Å; S17-P19 VanDerWaalsContact O-N 3.15Å |
| 18 | S | 58.2 | Low | 57.8 | Low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 126.6 | 176 | -65.9 | 0 | 0 | 0 | 0 | 108.5 | T16 R20 | T16-S18 PolarHBondContact O-N 3.49Å; T16-S18 VanDerWaalsContact O-N 3.08Å; S18-R20 PolarHBondContact O-N 3.4Å |
| 19 | P | 57.9 | Low | 58.1 | Low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 118.1 | 172.8 | 23.2 | -29.3 | 0 | 0 | 0 | 106.4 | S17 S21 | S17-P19 VanDerWaalsContact O-N 3.15Å; P19-S21 PolarHBondContact O-N 3.18Å |
| 20 | R | 61.9 | Low | 59.2 | Low | 242 Ų | 242 | 129.9 Ų | 129.9 | 91% | 0.913 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58 | 125.3 | 175.7 | -163.8 | 177.5 | -176.7 | 116.1 | -1.6 | 106.6 | S18 | S18-R20 PolarHBondContact O-N 3.4Š|
| 21 | S | 55.8 | Low | 60.6 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 138.6 | -179.9 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | P19 T23 | P19-S21 PolarHBondContact O-N 3.18Å; S21-T23 PolarHBondContact O-N 3.3Å |
| 22 | P | 56.3 | Low | 62.6 | Low | 94 Ų | 94 | 125.5 Ų | 125.5 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 133 | 173.7 | -9.4 | 23 | 0 | 0 | 0 | 108.8 | N24 L28 | P22-N24 PolarHBondContact O-N 3.21Å; P22-L28 HydrophobicContact CB-CD1 4.3Å; P22-L28 HydrophobicContact CG-CD1 4Å |
| 23 | T | 56.9 | Low | 64.4 | Low | 155 Ų | 155 | 125.1 Ų | 125.1 | 95% | 0.951 | 68% | 0.677 | S | S | * | * | trans | -73.4 | 63.5 | 168.2 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | S21 | S21-T23 PolarHBondContact O-N 3.3Š| ||
| 24 | N | 54.6 | Low | 66.4 | Low | 102 Ų | 102 | 120.3 Ų | 120.3 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | trans | -127.6 | 117.7 | 172.1 | -162.6 | -80.9 | 0 | 0 | 0 | 108.5 | P22 G26 | P22-N24 PolarHBondContact O-N 3.21Å; N24-G26 PolarHBondContact O-N 2.82Å; N24-G26 PolarHBondContact OD1-N 3.35Å; N24-G26 VanDerWaalsContact OD1-N 3.1Å | ||
| 25 | S | 57.9 | Low | 68.2 | Low | 136 Ų | 136 | 117.5 Ų | 117.5 | 95% | 0.951 | 65% | 0.651 | S | S | * | * | trans | -78.1 | 11.7 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 26 | G | 61.2 | Low | 70.1 | Confident | 36 Ų | 36 | 110.3 Ų | 110.3 | 37% | 0.371 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -92.4 | 128.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N24 L28 | N24-G26 PolarHBondContact O-N 2.82Å; N24-G26 PolarHBondContact OD1-N 3.35Å; N24-G26 VanDerWaalsContact OD1-N 3.1Å; G26-L28 PolarHBondContact O-N 3.41Å |
| 27 | E | 63.1 | Low | 72.1 | Confident | 160 Ų | 160 | 108.2 Ų | 108.2 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | trans | -52.6 | 102.5 | 168.8 | -88.6 | 178.8 | 149.4 | 0 | 0 | 109 | F29 | E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 HydrophobicContact CB-CE1 4.44Å; E27-F29 HydrophobicContact CB-CE2 4.29Å; E27-F29 HydrophobicContact CB-CZ 4.11Å; E27-F29 PolarHBondContact O-N 2.97Å | ||
| 28 | L | 63.7 | Low | 74 | Confident | 105 Ų | 105 | 109.1 Ų | 109.1 | 55% | 0.55 | 61% | 0.605 | S | S | . | * | trans | -76.1 | 93.3 | 173.4 | -62.3 | 173.2 | 0 | 0 | 0 | 105.8 | P22 G26 T30 | P22-L28 HydrophobicContact CB-CD1 4.3Å; P22-L28 HydrophobicContact CG-CD1 4Å; G26-L28 PolarHBondContact O-N 3.41Å; L28-T30 HydrophobicContact CB-CG2 4.43Å; L28-T30 PolarHBondContact O-N 3.16Å | ||
| 29 | F | 73.5 | Confident | 75.9 | Confident | 123 Ų | 123 | 110.6 Ų | 110.6 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | trans | -62.9 | 78.3 | 167.1 | -61.7 | -66.9 | 0 | 0 | 0 | 108.5 | E27 H33 | E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 HydrophobicContact CB-CE1 4.44Å; E27-F29 HydrophobicContact CB-CE2 4.29Å; E27-F29 HydrophobicContact CB-CZ 4.11Å; E27-F29 PolarHBondContact O-N 2.97Å; F29-H33 AromaticContact CD1-CD2 3.53Å; F29-H33 AromaticContact CD1-NE2 3.53Å; F29-H33 AromaticContact CE1-NE2 3.84Å | ||
| 30 | T | 87.2 | Confident | 77.7 | Confident | 69 Ų | 69 | 110.4 Ų | 110.4 | 42% | 0.423 | 59% | 0.59 | S | S | . | * | trans | -61.3 | 151.6 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 108.9 | L28 A32 H33 E34 | L28-T30 HydrophobicContact CB-CG2 4.43Å; L28-T30 PolarHBondContact O-N 3.16Å; T30-A32 PolarHBondContact O-N 2.84Å; T30-H33 WeakPolarHBondContact O-CA 3.23Å; T30-H33 VanDerWaalsContact O-CB 3.28Å; T30-H33 WeakPolarHBondContact O-CB 3.49Å; T30-H33 PolarHBondContact O-N 3.07Å; T30-H33 PolarHBondContact OG1-N 3.39Å; T30-H33 VanDerWaalsContact OG1-N 3.15Å; T30-E34 PolarHBondContact O-N 2.96Å | ||
| 31 | P | 88.9 | Confident | 79.4 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -51.7 | -34.1 | 173.3 | -29.5 | 36 | 0 | 0 | 0 | 113.2 | E34 E35 | P31-E34 PolarHBondContact O-N 3.21Å; P31-E35 WeakPolarHBondContact O-CG 3.29Å; P31-E35 PolarHBondContact O-N 3.48Å |
| 32 | A | 90.3 | Very high | 81.4 | Confident | 49 Ų | 49 | 103.3 Ų | 103.3 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -34.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T30 E35 N36 | T30-A32 PolarHBondContact O-N 2.84Å; A32-E35 PolarHBondContact O-N 3.12Å; A32-N36 WeakPolarHBondContact O-CB 3.37Å; A32-N36 PolarHBondContact O-N 2.86Å; A32-N36 PolarHBondContact O-ND2 2.99Å; A32-N36 VanDerWaalsContact O-ND2 3.14Å |
| 33 | H | 92.9 | Very high | 83.2 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 36% | 0.356 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 173.8 | 174.4 | 91.8 | 0 | 0 | 0 | 110.8 | F29 T30 E35 N36 V37 | F29-H33 AromaticContact CD1-CD2 3.53Å; F29-H33 AromaticContact CD1-NE2 3.53Å; F29-H33 AromaticContact CE1-NE2 3.84Å; T30-H33 WeakPolarHBondContact O-CA 3.23Å; T30-H33 VanDerWaalsContact O-CB 3.28Å; T30-H33 WeakPolarHBondContact O-CB 3.49Å; T30-H33 PolarHBondContact O-N 3.07Å; T30-H33 PolarHBondContact OG1-N 3.39Å; T30-H33 VanDerWaalsContact OG1-N 3.15Å; H33-E35 VanDerWaalsContact C-N 3.31Å; H33-E35 PolarHBondContact O-N 3.29Å; H33-N36 PolarHBondContact O-N 2.97Å; H33-V37 VanDerWaalsContact O-CG2 3.3Å; H33-V37 WeakPolarHBondContact O-CG2 3.39Å; H33-V37 PolarHBondContact O-N 3.37Å |
| 34 | E | 91.9 | Very high | 85.1 | Confident | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 176.8 | -62 | -179.6 | -179.8 | 0 | 0 | 111.8 | T30 P31 V37 R38 | T30-E34 PolarHBondContact O-N 2.96Å; P31-E34 PolarHBondContact O-N 3.21Å; E34-V37 PolarHBondContact O-N 3.09Å; E34-R38 WeakPolarHBondContact O-CB 3.32Å; E34-R38 WeakPolarHBondContact O-CG 3.32Å; E34-R38 PolarHBondContact O-N 3.08Å; E34-R38 PolarHBondContact O-NE 3.03Å |
| 35 | E | 94.8 | Very high | 87.1 | Confident | 112 Ų | 112 | 100.3 Ų | 100.3 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 173.4 | -77 | 179.5 | 169.4 | 0 | 0 | 112.5 | P31 A32 H33 R38 F39 | P31-E35 WeakPolarHBondContact O-CG 3.29Å; P31-E35 PolarHBondContact O-N 3.48Å; A32-E35 PolarHBondContact O-N 3.12Å; H33-E35 VanDerWaalsContact C-N 3.31Å; H33-E35 PolarHBondContact O-N 3.29Å; E35-R38 PolarHBondContact O-N 2.82Å; E35-F39 VanDerWaalsContact O-CB 3.29Å; E35-F39 WeakPolarHBondContact O-CB 3.31Å; E35-F39 PolarHBondContact O-N 3.25Å |
| 36 | N | 94.8 | Very high | 88.7 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 178.6 | -71.9 | -25.4 | 0 | 0 | 0 | 111.7 | A32 H33 F39 I40 | A32-N36 WeakPolarHBondContact O-CB 3.37Å; A32-N36 PolarHBondContact O-N 2.86Å; A32-N36 PolarHBondContact O-ND2 2.99Å; A32-N36 VanDerWaalsContact O-ND2 3.14Å; H33-N36 PolarHBondContact O-N 2.97Å; N36-F39 PolarHBondContact O-N 3.1Å; N36-I40 WeakPolarHBondContact O-CB 3.29Å; N36-I40 VanDerWaalsContact O-CG1 3.27Å; N36-I40 WeakPolarHBondContact O-CG1 3.49Å; N36-I40 PolarHBondContact O-N 3.26Å |
| 37 | V | 95.6 | Very high | 90 | Very high | 75 Ų | 75 | 97.6 Ų | 97.6 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 178.2 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | H33 E34 F39 I40 H41 | H33-V37 VanDerWaalsContact O-CG2 3.3Å; H33-V37 WeakPolarHBondContact O-CG2 3.39Å; H33-V37 PolarHBondContact O-N 3.37Å; E34-V37 PolarHBondContact O-N 3.09Å; V37-F39 PolarHBondContact O-N 3.11Å; V37-I40 PolarHBondContact O-N 3.01Å; V37-H41 VanDerWaalsContact O-CB 3.3Å; V37-H41 WeakPolarHBondContact O-CB 3.31Å; V37-H41 PolarHBondContact O-N 2.86Å |
| 38 | R | 96.9 | Very high | 91.3 | Very high | 129 Ų | 129 | 92.2 Ų | 92.2 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 174.5 | -77 | -174.4 | -75.8 | 102.3 | -9.3 | 111.7 | E34 E35 I40 H41 D42 | E34-R38 WeakPolarHBondContact O-CB 3.32Å; E34-R38 WeakPolarHBondContact O-CG 3.32Å; E34-R38 PolarHBondContact O-N 3.08Å; E34-R38 PolarHBondContact O-NE 3.03Å; E35-R38 PolarHBondContact O-N 2.82Å; R38-I40 PolarHBondContact O-N 3.37Å; R38-H41 PolarHBondContact O-N 3.41Å; R38-D42 WeakPolarHBondContact O-CB 3.48Å; R38-D42 VanDerWaalsContact O-CG 3.27Å; R38-D42 PolarHBondContact O-N 3.49Å |
| 39 | F | 97.1 | Very high | 92.5 | Very high | 137 Ų | 137 | 94.4 Ų | 94.4 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.8 | -47.9 | 179.4 | 175.4 | -97.8 | 0 | 0 | 0 | 112.2 | E35 N36 V37 T43 | E35-F39 VanDerWaalsContact O-CB 3.29Å; E35-F39 WeakPolarHBondContact O-CB 3.31Å; E35-F39 PolarHBondContact O-N 3.25Å; N36-F39 PolarHBondContact O-N 3.1Å; V37-F39 PolarHBondContact O-N 3.11Å; F39-T43 WeakPolarHBondContact O-CB 3.23Å; F39-T43 PolarHBondContact O-N 3.27Å; F39-T43 PolarHBondContact O-OG1 2.99Å |
| 40 | I | 97.2 | Very high | 93 | Very high | 115 Ų | 115 | 93.1 Ų | 93.1 | 59% | 0.59 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.2 | -46.9 | 179.2 | -69.6 | 167.2 | 0 | 0 | 0 | 109.9 | N36 V37 R38 W44 | N36-I40 WeakPolarHBondContact O-CB 3.29Å; N36-I40 VanDerWaalsContact O-CG1 3.27Å; N36-I40 WeakPolarHBondContact O-CG1 3.49Å; N36-I40 PolarHBondContact O-N 3.26Å; V37-I40 PolarHBondContact O-N 3.01Å; R38-I40 PolarHBondContact O-N 3.37Å; I40-W44 WeakPolarHBondContact O-CB 3.48Å; I40-W44 PolarHBondContact O-N 3.08Å |
| 41 | H | 97.3 | Very high | 92.8 | Very high | 102 Ų | 102 | 93.7 Ų | 93.7 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.7 | -54.1 | 179.3 | 175.1 | -91.1 | 0 | 0 | 0 | 111.5 | V37 R38 T43 W44 Q45 | V37-H41 VanDerWaalsContact O-CB 3.3Å; V37-H41 WeakPolarHBondContact O-CB 3.31Å; V37-H41 PolarHBondContact O-N 2.86Å; R38-H41 PolarHBondContact O-N 3.41Å; H41-T43 PolarHBondContact O-N 2.76Å; H41-W44 PolarHBondContact O-N 3.48Å; H41-Q45 PolarHBondContact NE2-NE2 3.27Å; H41-Q45 WeakPolarHBondContact O-CG 3.25Å; H41-Q45 PolarHBondContact O-N 2.91Å |
| 42 | D | 96.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 97.4 Ų | 97.4 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | -173.9 | -66.1 | -13.3 | 0 | 0 | 0 | 111.7 | R38 W44 Q45 C46 | R38-D42 WeakPolarHBondContact O-CB 3.48Å; R38-D42 VanDerWaalsContact O-CG 3.27Å; R38-D42 PolarHBondContact O-N 3.49Å; D42-W44 VanDerWaalsContact C-N 3.31Å; D42-W44 PolarHBondContact O-N 3.4Å; D42-Q45 PolarHBondContact O-N 3.39Å; D42-C46 PolarHBondContact O-N 2.95Å; D42-C46 VanDerWaalsContact O-N 3.13Å; D42-C46 PolarHBondContact O-SG 3.43Å |
| 43 | T | 95.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 98.6 Ų | 98.6 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.1 | -58 | 0 | 0 | 0 | 0 | 110.6 | F39 H41 C46 V47 | F39-T43 WeakPolarHBondContact O-CB 3.23Å; F39-T43 PolarHBondContact O-N 3.27Å; F39-T43 PolarHBondContact O-OG1 2.99Å; H41-T43 PolarHBondContact O-N 2.76Å; T43-C46 WeakPolarHBondContact O-CB 3.4Å; T43-C46 PolarHBondContact O-N 2.96Å; T43-V47 WeakPolarHBondContact O-CG2 3.42Å; T43-V47 PolarHBondContact O-N 3.14Å; T43-V47 VanDerWaalsContact O-N 3.08Å |
| 44 | W | 95.8 | Very high | 90.3 | Very high | 145 Ų | 145 | 96.3 Ų | 96.3 | 55% | 0.549 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.9 | -171.3 | -117.2 | 0 | 0 | 0 | 112.6 | I40 H41 D42 C46 V47 L48 | I40-W44 WeakPolarHBondContact O-CB 3.48Å; I40-W44 PolarHBondContact O-N 3.08Å; H41-W44 PolarHBondContact O-N 3.48Å; D42-W44 VanDerWaalsContact C-N 3.31Å; D42-W44 PolarHBondContact O-N 3.4Å; W44-C46 VanDerWaalsContact C-N 3.29Å; W44-C46 PolarHBondContact O-N 2.99Å; W44-V47 HydrophobicContact CE3-CB 4.15Å; W44-V47 HydrophobicContact CE3-CG1 4.16Å; W44-V47 HydrophobicContact CH2-CG1 4.49Å; W44-V47 HydrophobicContact CZ3-CB 4.38Å; W44-V47 HydrophobicContact CZ3-CG1 3.89Å; W44-V47 PolarHBondContact O-N 3.46Å; W44-L48 HydrophobicContact CZ2-CD2 4.08Å; W44-L48 WeakPolarHBondContact O-CG 3.35Å; W44-L48 PolarHBondContact O-N 3.34Å |
| 45 | Q | 95.9 | Very high | 88.9 | Confident | 79 Ų | 79 | 99 Ų | 99 | 37% | 0.369 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 173.7 | -68.3 | -57.1 | -31.9 | 0 | 0 | 112.2 | H41 D42 L48 R49 | H41-Q45 PolarHBondContact NE2-NE2 3.27Å; H41-Q45 WeakPolarHBondContact O-CG 3.25Å; H41-Q45 PolarHBondContact O-N 2.91Å; D42-Q45 PolarHBondContact O-N 3.39Å; Q45-L48 PolarHBondContact O-N 3.19Å; Q45-R49 WeakPolarHBondContact O-CB 3.25Å; Q45-R49 PolarHBondContact O-N 2.89Å |
| 46 | C | 91.6 | Very high | 87.2 | Confident | 59 Ų | 59 | 101 Ų | 101 | 40% | 0.399 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.4 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | D42 T43 W44 L48 R49 D50 | D42-C46 PolarHBondContact O-N 2.95Å; D42-C46 VanDerWaalsContact O-N 3.13Å; D42-C46 PolarHBondContact O-SG 3.43Å; T43-C46 WeakPolarHBondContact O-CB 3.4Å; T43-C46 PolarHBondContact O-N 2.96Å; W44-C46 VanDerWaalsContact C-N 3.29Å; W44-C46 PolarHBondContact O-N 2.99Å; C46-L48 PolarHBondContact O-N 3Å; C46-R49 WeakPolarHBondContact O-CB 3.3Å; C46-R49 PolarHBondContact O-N 2.92Å; C46-D50 PolarHBondContact O-N 2.82Å |
| 47 | V | 89.6 | Confident | 85.3 | Confident | 56 Ų | 56 | 99.6 Ų | 99.6 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | T43 W44 R49 D50 I51 | T43-V47 WeakPolarHBondContact O-CG2 3.42Å; T43-V47 PolarHBondContact O-N 3.14Å; T43-V47 VanDerWaalsContact O-N 3.08Å; W44-V47 HydrophobicContact CE3-CB 4.15Å; W44-V47 HydrophobicContact CE3-CG1 4.16Å; W44-V47 HydrophobicContact CH2-CG1 4.49Å; W44-V47 HydrophobicContact CZ3-CB 4.38Å; W44-V47 HydrophobicContact CZ3-CG1 3.89Å; W44-V47 PolarHBondContact O-N 3.46Å; V47-R49 VanDerWaalsContact C-N 3.33Å; V47-R49 PolarHBondContact O-N 3.21Å; V47-D50 PolarHBondContact O-N 3.39Å; V47-I51 HydrophobicContact CG1-CD1 3.76Å; V47-I51 HydrophobicContact CG1-CG1 4.43Å; V47-I51 VanDerWaalsContact O-CG1 3.31Å; V47-I51 WeakPolarHBondContact O-CG1 3.19Å; V47-I51 PolarHBondContact O-N 3.23Å |
| 48 | L | 90.4 | Very high | 83.6 | Confident | 47 Ų | 47 | 105.6 Ų | 105.6 | 25% | 0.246 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -63 | -39 | 178.2 | -72 | 177.5 | 0 | 0 | 0 | 112.4 | W44 Q45 C46 R52 | W44-L48 HydrophobicContact CZ2-CD2 4.08Å; W44-L48 WeakPolarHBondContact O-CG 3.35Å; W44-L48 PolarHBondContact O-N 3.34Å; Q45-L48 PolarHBondContact O-N 3.19Å; C46-L48 PolarHBondContact O-N 3Å; L48-R52 WeakPolarHBondContact O-CB 3.46Å; L48-R52 VanDerWaalsContact O-CG 3.29Å; L48-R52 WeakPolarHBondContact O-CG 3.48Å; L48-R52 PolarHBondContact O-N 3.44Å |
| 49 | R | 89.4 | Confident | 81.7 | Confident | 150 Ų | 150 | 105.2 Ų | 105.2 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 175.3 | -168.1 | -157.8 | -31.4 | -86.6 | -6.8 | 111.1 | Q45 C46 V47 R52 S53 | Q45-R49 WeakPolarHBondContact O-CB 3.25Å; Q45-R49 PolarHBondContact O-N 2.89Å; C46-R49 WeakPolarHBondContact O-CB 3.3Å; C46-R49 PolarHBondContact O-N 2.92Å; V47-R49 VanDerWaalsContact C-N 3.33Å; V47-R49 PolarHBondContact O-N 3.21Å; R49-R52 PolarHBondContact O-N 2.66Å; R49-S53 VanDerWaalsContact O-CB 3.25Å; R49-S53 WeakPolarHBondContact O-CB 3.28Å; R49-S53 PolarHBondContact O-N 2.94Å |
| 50 | D | 83.4 | Confident | 79.9 | Confident | 96 Ų | 96 | 105 Ų | 105 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 178.7 | -75.7 | -1.4 | 0 | 0 | 0 | 110.6 | C46 V47 R52 S53 T54 | C46-D50 PolarHBondContact O-N 2.82Å; V47-D50 PolarHBondContact O-N 3.39Å; D50-R52 VanDerWaalsContact C-N 3.34Å; D50-R52 PolarHBondContact O-N 3Å; D50-S53 PolarHBondContact O-N 3.47Å; D50-T54 VanDerWaalsContact O-CB 3.25Å; D50-T54 WeakPolarHBondContact O-CB 3.3Å; D50-T54 PolarHBondContact O-N 3.29Å; D50-T54 PolarHBondContact O-OG1 3.07Å; D50-T54 VanDerWaalsContact O-OG1 3.07Å |
| 51 | I | 83.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 105.6 Ų | 105.6 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 175.2 | -69.5 | 167.6 | 0 | 0 | 0 | 111.7 | V47 Q55 | V47-I51 HydrophobicContact CG1-CD1 3.76Å; V47-I51 HydrophobicContact CG1-CG1 4.43Å; V47-I51 VanDerWaalsContact O-CG1 3.31Å; V47-I51 WeakPolarHBondContact O-CG1 3.19Å; V47-I51 PolarHBondContact O-N 3.23Å; I51-Q55 WeakPolarHBondContact O-CB 3.27Å; I51-Q55 WeakPolarHBondContact O-CG 3.36Å; I51-Q55 PolarHBondContact O-N 2.78Å |
| 52 | R | 82 | Confident | 76.7 | Confident | 178 Ų | 178 | 108.2 Ų | 108.2 | 67% | 0.672 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.7 | -38.8 | 176.9 | -72.9 | 174.1 | -176.7 | 178.8 | 2.6 | 112.2 | L48 R49 D50 Q55 N56 | L48-R52 WeakPolarHBondContact O-CB 3.46Å; L48-R52 VanDerWaalsContact O-CG 3.29Å; L48-R52 WeakPolarHBondContact O-CG 3.48Å; L48-R52 PolarHBondContact O-N 3.44Å; R49-R52 PolarHBondContact O-N 2.66Å; D50-R52 VanDerWaalsContact C-N 3.34Å; D50-R52 PolarHBondContact O-N 3Å; R52-Q55 PolarHBondContact O-N 3.5Å; R52-N56 WeakPolarHBondContact O-CB 3.44Å; R52-N56 PolarHBondContact O-N 3.45Å |
| 53 | S | 73.4 | Confident | 75.3 | Confident | 73 Ų | 73 | 105.4 Ų | 105.4 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 177.6 | -176 | 0 | 0 | 0 | 0 | 111.5 | R49 D50 Q55 N56 S57 | R49-S53 VanDerWaalsContact O-CB 3.25Å; R49-S53 WeakPolarHBondContact O-CB 3.28Å; R49-S53 PolarHBondContact O-N 2.94Å; D50-S53 PolarHBondContact O-N 3.47Å; S53-Q55 VanDerWaalsContact C-N 3.33Å; S53-Q55 PolarHBondContact O-N 3.19Å; S53-N56 CarbonylContact O-C 3.59Å; S53-N56 PolarHBondContact O-N 3.35Å; S53-N56 VanDerWaalsContact O-N 3.14Å; S53-S57 WeakPolarHBondContact O-CB 3.2Å; S53-S57 PolarHBondContact O-N 2.91Å |
| 54 | T | 63.7 | Low | 74 | Confident | 30 Ų | 30 | 109.2 Ų | 109.2 | 18% | 0.184 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -66.6 | -30 | 175.5 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | D50 N56 R59 R62 | D50-T54 VanDerWaalsContact O-CB 3.25Å; D50-T54 WeakPolarHBondContact O-CB 3.3Å; D50-T54 PolarHBondContact O-N 3.29Å; D50-T54 PolarHBondContact O-OG1 3.07Å; D50-T54 VanDerWaalsContact O-OG1 3.07Å; T54-N56 VanDerWaalsContact C-N 3.33Å; T54-R59 WeakPolarHBondContact CG2-O 3.41Å; T54-R62 HydrophobicContact CG2-CB 4.33Å |
| 55 | Q | 62.4 | Low | 73 | Confident | 160 Ų | 160 | 109 Ų | 109 | 75% | 0.748 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.3 | -24 | 171.7 | -78.9 | -177.6 | 78.8 | 0 | 0 | 113.2 | I51 R52 S53 | I51-Q55 WeakPolarHBondContact O-CB 3.27Å; I51-Q55 WeakPolarHBondContact O-CG 3.36Å; I51-Q55 PolarHBondContact O-N 2.78Å; R52-Q55 PolarHBondContact O-N 3.5Å; S53-Q55 VanDerWaalsContact C-N 3.33Å; S53-Q55 PolarHBondContact O-N 3.19Å |
| 56 | N | 58.7 | Low | 72.2 | Confident | 153 Ų | 153 | 112.7 Ų | 112.7 | 82% | 0.818 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -100.7 | -7 | -176.4 | -144.9 | 16.1 | 0 | 0 | 0 | 113.3 | R52 S53 T54 | R52-N56 WeakPolarHBondContact O-CB 3.44Å; R52-N56 PolarHBondContact O-N 3.45Å; S53-N56 CarbonylContact O-C 3.59Å; S53-N56 PolarHBondContact O-N 3.35Å; S53-N56 VanDerWaalsContact O-N 3.14Å; T54-N56 VanDerWaalsContact C-N 3.33Å |
| 57 | S | 55.5 | Low | 71.9 | Confident | 69 Ų | 69 | 118.8 Ų | 118.8 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -120.2 | 134.8 | 175.3 | -167.6 | 0 | 0 | 0 | 0 | 106.7 | S53 R59 | S53-S57 WeakPolarHBondContact O-CB 3.2Å; S53-S57 PolarHBondContact O-N 2.91Å; S57-R59 PolarHBondContact O-N 3.24Å |
| 58 | E | 59.8 | Low | 71.6 | Confident | 201 Ų | 201 | 120.9 Ų | 120.9 | 94% | 0.939 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -62 | 21.1 | 179.3 | -60.3 | -160.5 | 130.4 | 0 | 0 | 114.8 | N60 | E58-N60 VanDerWaalsContact C-N 3.3Å; E58-N60 PolarHBondContact O-N 3.47Å; E58-N60 VanDerWaalsContact O-N 3.12Å |
| 59 | R | 56.2 | Low | 71.3 | Confident | 120 Ų | 120 | 122.5 Ų | 122.5 | 45% | 0.453 | 60% | 0.604 | S | S | . | * | trans | -87.6 | 68.2 | 178.5 | -162.5 | -177 | -168.5 | 175.8 | 9.9 | 110.5 | T54 S57 D61 | T54-R59 WeakPolarHBondContact CG2-O 3.41Å; S57-R59 PolarHBondContact O-N 3.24Å; R59-D61 PolarHBondContact O-N 3.08Å | ||
| 60 | N | 59 | Low | 71.2 | Confident | 133 Ų | 133 | 124.4 Ų | 124.4 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -56.8 | -13.7 | 175.8 | -109.6 | -48.7 | 0 | 0 | 0 | 114.3 | E58 R62 | E58-N60 VanDerWaalsContact C-N 3.3Å; E58-N60 PolarHBondContact O-N 3.47Å; E58-N60 VanDerWaalsContact O-N 3.12Å; N60-R62 PolarHBondContact O-N 3.15Å; N60-R62 VanDerWaalsContact O-N 3.11Å |
| 61 | D | 60.4 | Low | 71.4 | Confident | 127 Ų | 127 | 126.3 Ų | 126.3 | 68% | 0.679 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -74.7 | 1.4 | -171.8 | -50.7 | -58.7 | 0 | 0 | 0 | 116 | R59 | R59-D61 PolarHBondContact O-N 3.08Š|
| 62 | R | 66.4 | Low | 71.4 | Confident | 157 Ų | 157 | 127.2 Ų | 127.2 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -116.4 | 0.7 | -177.7 | -63.8 | -173.4 | -176.6 | -136.9 | -8.8 | 114.3 | T54 N60 | T54-R62 HydrophobicContact CG2-CB 4.33Å; N60-R62 PolarHBondContact O-N 3.15Å; N60-R62 VanDerWaalsContact O-N 3.11Å |
| 63 | G | 68.3 | Low | 71.5 | Confident | 34 Ų | 34 | 121.7 Ų | 121.7 | 35% | 0.351 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -92.2 | -179.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q65 | G63-Q65 PolarHBondContact O-N 2.71Å; G63-Q65 VanDerWaalsContact O-N 3.08Å |
| 64 | P | 68.7 | Low | 72.1 | Confident | 145 Ų | 145 | 122.3 Ų | 122.3 | 94% | 0.942 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 117.5 | 164.3 | -22.2 | 32.9 | 0 | 0 | 0 | 109.4 | ||
| 65 | Q | 74.5 | Confident | 73.2 | Confident | 139 Ų | 139 | 127.1 Ų | 127.1 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 118.6 | 180 | -174.8 | 63.2 | 54.8 | 0 | 0 | 108.7 | G63 Y67 | G63-Q65 PolarHBondContact O-N 2.71Å; G63-Q65 VanDerWaalsContact O-N 3.08Å; Q65-Y67 PolarHBondContact O-N 3.42Å |
| 66 | E | 79.6 | Confident | 74.2 | Confident | 157 Ų | 157 | 123.2 Ų | 123.2 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.1 | 166.4 | -174.2 | 172.9 | -167 | 0 | 0 | 108.6 | V68 | E66-V68 PolarHBondContact O-N 3.21Š|
| 67 | Y | 83.8 | Confident | 75.3 | Confident | 188 Ų | 188 | 123.6 Ų | 123.6 | 74% | 0.737 | 63% | 0.629 | S | S | * | * | trans | -70.3 | 114.1 | 174.5 | 177.1 | -93 | 0 | 0 | 0 | 108.8 | Q65 E69 | Q65-Y67 PolarHBondContact O-N 3.42Å; Y67-E69 HydrophobicContact CE1-CB 3.99Å | ||
| 68 | V | 83.9 | Confident | 76.8 | Confident | 100 Ų | 100 | 125.3 Ų | 125.3 | 61% | 0.606 | 64% | 0.641 | S | S | * | * | trans | -113.6 | 118.6 | 171.4 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | E66 K70 | E66-V68 PolarHBondContact O-N 3.21Å; V68-K70 PolarHBondContact O-N 2.89Å; V68-K70 VanDerWaalsContact O-N 3.09Å | ||
| 69 | E | 84.3 | Confident | 78 | Confident | 80 Ų | 80 | 121.8 Ų | 121.8 | 37% | 0.374 | 62% | 0.622 | S | S | . | * | trans | -68.6 | 106.2 | 176.9 | -169.8 | 177.2 | -155.8 | 0 | 0 | 109.4 | Y67 N71 N73 | Y67-E69 HydrophobicContact CE1-CB 3.99Å; E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 WeakPolarHBondContact CG-O 3.38Å; E69-N73 VanDerWaalsContact OE1-CB 3.31Å; E69-N73 WeakPolarHBondContact OE1-CB 3.3Å; E69-N73 PolarHBondContact OE1-N 2.81Å | ||
| 70 | K | 87.1 | Confident | 79.5 | Confident | 191 Ų | 191 | 121.5 Ų | 121.5 | 83% | 0.83 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -71.3 | -28.4 | -178.5 | -64.4 | -171.6 | 179.4 | -176.5 | 0 | 113.1 | V68 | V68-K70 PolarHBondContact O-N 2.89Å; V68-K70 VanDerWaalsContact O-N 3.09Å |
| 71 | N | 88.6 | Confident | 80.7 | Confident | 136 Ų | 136 | 119.9 Ų | 119.9 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -127.9 | 102.8 | 179 | -66.8 | 101.7 | 0 | 0 | 0 | 107.8 | E69 N73 | E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 WeakPolarHBondContact CG-O 3.38Å; N71-N73 PolarHBondContact O-N 3.35Å |
| 72 | P | 83.4 | Confident | 81.9 | Confident | 101 Ų | 101 | 118.4 Ų | 118.4 | 66% | 0.656 | 63% | 0.626 | S | S | * | * | trans | -61.3 | 128.3 | -174.9 | 24.6 | -33.1 | 0 | 0 | 0 | 110.1 | P74 | P72-P74 VanDerWaalsContact O-CD 3.29Å; P72-P74 WeakPolarHBondContact O-CD 3.44Å | ||
| 73 | N | 84.6 | Confident | 82.8 | Confident | 61 Ų | 61 | 114.7 Ų | 114.7 | 33% | 0.326 | 62% | 0.618 | S | S | . | * | trans | -71.7 | 115.6 | 177.3 | -177.3 | -6.6 | 0 | 0 | 0 | 110.4 | E69 N71 N75 L76 | E69-N73 VanDerWaalsContact OE1-CB 3.31Å; E69-N73 WeakPolarHBondContact OE1-CB 3.3Å; E69-N73 PolarHBondContact OE1-N 2.81Å; N71-N73 PolarHBondContact O-N 3.35Å; N73-N75 PolarHBondContact O-N 2.9Å; N73-N75 VanDerWaalsContact O-N 3.07Å; N73-N75 VanDerWaalsContact OD1-CB 3.32Å; N73-N75 WeakPolarHBondContact OD1-CB 3.37Å; N73-N75 PolarHBondContact OD1-N 2.73Å; N73-N75 PolarHBondContact OD1-ND2 2.82Å; N73-L76 HydrophobicContact CB-CB 4.5Å; N73-L76 HydrophobicContact CB-CD1 3.87Å; N73-L76 HydrophobicContact CB-CG 3.92Å; N73-L76 WeakPolarHBondContact O-CB 3.42Å; N73-L76 PolarHBondContact O-N 2.98Å | ||
| 74 | P | 86 | Confident | 83.5 | Confident | 86 Ų | 86 | 119.5 Ų | 119.5 | 56% | 0.558 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -64 | -17.8 | -179.1 | 26.5 | -34.6 | 0 | 0 | 0 | 112.9 | P72 L76 H77 | P72-P74 VanDerWaalsContact O-CD 3.29Å; P72-P74 WeakPolarHBondContact O-CD 3.44Å; P74-L76 PolarHBondContact O-N 3.39Å; P74-H77 PolarHBondContact O-CD2 3.41Å |
| 75 | N | 85.8 | Confident | 84.2 | Confident | 131 Ų | 131 | 115.1 Ų | 115.1 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -75.6 | -12 | 175.6 | -56.9 | -77.4 | 0 | 0 | 0 | 113 | N73 | N73-N75 PolarHBondContact O-N 2.9Å; N73-N75 VanDerWaalsContact O-N 3.07Å; N73-N75 VanDerWaalsContact OD1-CB 3.32Å; N73-N75 WeakPolarHBondContact OD1-CB 3.37Å; N73-N75 PolarHBondContact OD1-N 2.73Å; N73-N75 PolarHBondContact OD1-ND2 2.82Å |
| 76 | L | 83.3 | Confident | 84.4 | Confident | 79 Ų | 79 | 112 Ų | 112 | 41% | 0.414 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -92.9 | 5.5 | 179.8 | -62.8 | -179.9 | 0 | 0 | 0 | 113.4 | N73 P74 S78 F79 | N73-L76 HydrophobicContact CB-CB 4.5Å; N73-L76 HydrophobicContact CB-CD1 3.87Å; N73-L76 HydrophobicContact CB-CG 3.92Å; N73-L76 WeakPolarHBondContact O-CB 3.42Å; N73-L76 PolarHBondContact O-N 2.98Å; P74-L76 PolarHBondContact O-N 3.39Å; L76-S78 PolarHBondContact O-N 3.46Å; L76-S78 VanDerWaalsContact O-N 3.16Å; L76-F79 HydrophobicContact CB-CB 4.13Å; L76-F79 HydrophobicContact CD2-CB 4.08Å; L76-F79 HydrophobicContact CD2-CD2 4.42Å; L76-F79 HydrophobicContact CD2-CG 4.31Å; L76-F79 VanDerWaalsContact O-CB 3.23Å; L76-F79 WeakPolarHBondContact O-CB 3.44Å; L76-F79 PolarHBondContact O-N 3.48Å |
| 77 | H | 81.9 | Confident | 84.1 | Confident | 160 Ų | 160 | 108.9 Ų | 108.9 | 74% | 0.741 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -29.2 | -180 | -72.4 | -47.2 | 0 | 0 | 0 | 114.3 | P74 | P74-H77 PolarHBondContact O-CD2 3.41Š|
| 78 | S | 86.1 | Confident | 83.6 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 7.1 | 176.4 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | L76 T80 | L76-S78 PolarHBondContact O-N 3.46Å; L76-S78 VanDerWaalsContact O-N 3.16Å; S78-T80 PolarHBondContact O-N 2.97Å |
| 79 | F | 86.2 | Confident | 82.7 | Confident | 127 Ų | 127 | 110.5 Ų | 110.5 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | trans | -65.9 | 121.5 | 178.6 | -179.6 | -103.6 | 0 | 0 | 0 | 109.7 | L76 P81 | L76-F79 HydrophobicContact CB-CB 4.13Å; L76-F79 HydrophobicContact CD2-CB 4.08Å; L76-F79 HydrophobicContact CD2-CD2 4.42Å; L76-F79 HydrophobicContact CD2-CG 4.31Å; L76-F79 VanDerWaalsContact O-CB 3.23Å; L76-F79 WeakPolarHBondContact O-CB 3.44Å; L76-F79 PolarHBondContact O-N 3.48Å; F79-P81 HydrophobicContact CD1-CG 4.21Å; F79-P81 HydrophobicContact CE1-CB 4.09Å; F79-P81 HydrophobicContact CE1-CG 3.99Å | ||
| 80 | T | 86.7 | Confident | 81.6 | Confident | 115 Ų | 115 | 114 Ų | 114 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | trans | -101.8 | 113.9 | 171.1 | -54.4 | 0 | 0 | 0 | 0 | 107.3 | S78 V82 | S78-T80 PolarHBondContact O-N 2.97Å; T80-V82 PolarHBondContact O-N 3.4Å | ||
| 81 | P | 85.4 | Confident | 80.2 | Confident | 99 Ų | 99 | 110.9 Ų | 110.9 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 136.2 | 178.5 | -23.5 | 32.9 | 0 | 0 | 0 | 111.1 | F79 | F79-P81 HydrophobicContact CD1-CG 4.21Å; F79-P81 HydrophobicContact CE1-CB 4.09Å; F79-P81 HydrophobicContact CE1-CG 3.99Å |
| 82 | V | 86 | Confident | 78.7 | Confident | 95 Ų | 95 | 109.4 Ų | 109.4 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -85 | 124.6 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | T80 L84 | T80-V82 PolarHBondContact O-N 3.4Å; V82-L84 PolarHBondContact O-N 3.49Å |
| 83 | D | 84.9 | Confident | 77.5 | Confident | 79 Ų | 79 | 112.1 Ų | 112.1 | 42% | 0.422 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 120.5 | 169.5 | -174.4 | -0.4 | 0 | 0 | 0 | 109.7 | S85 D86 L87 | D83-S85 PolarHBondContact O-N 2.92Å; D83-S85 VanDerWaalsContact OD1-CB 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.46Å; D83-S85 PolarHBondContact OD1-N 3.47Å; D83-S85 PolarHBondContact OD1-OG 3.13Å; D83-S85 PolarHBondContact OD2-OG 3.01Å; D83-D86 HydrophobicContact CB-CB 4.29Å; D83-D86 WeakPolarHBondContact O-CB 3.29Å; D83-D86 PolarHBondContact O-N 3.2Å; D83-L87 PolarHBondContact O-N 3.07Å |
| 84 | L | 82.5 | Confident | 75.9 | Confident | 135 Ų | 135 | 115.9 Ų | 115.9 | 71% | 0.707 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.7 | -24.2 | 177.2 | -58.3 | -178.8 | 0 | 0 | 0 | 111.8 | V82 L87 K88 | V82-L84 PolarHBondContact O-N 3.49Å; L84-L87 PolarHBondContact O-N 3.45Å; L84-K88 PolarHBondContact O-N 3.04Å |
| 85 | S | 82.8 | Confident | 74.5 | Confident | 54 Ų | 54 | 116.8 Ų | 116.8 | 38% | 0.378 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.9 | -36.6 | 174.4 | 94.6 | 0 | 0 | 0 | 0 | 112 | D83 | D83-S85 PolarHBondContact O-N 2.92Å; D83-S85 VanDerWaalsContact OD1-CB 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.46Å; D83-S85 PolarHBondContact OD1-N 3.47Å; D83-S85 PolarHBondContact OD1-OG 3.13Å; D83-S85 PolarHBondContact OD2-OG 3.01Å |
| 86 | D | 79.3 | Confident | 73 | Confident | 72 Ų | 72 | 120 Ų | 120 | 39% | 0.385 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.2 | -38.5 | 176.5 | -80.2 | -37 | 0 | 0 | 0 | 112.7 | D83 K88 R89 R90 | D83-D86 HydrophobicContact CB-CB 4.29Å; D83-D86 WeakPolarHBondContact O-CB 3.29Å; D83-D86 PolarHBondContact O-N 3.2Å; D86-K88 VanDerWaalsContact C-N 3.29Å; D86-K88 PolarHBondContact O-N 3.38Å; D86-R89 PolarHBondContact O-N 3.14Å; D86-R89 IonicContact OD1-CZ 3.45Å; D86-R89 IonicContact OD1-NE 3.53Å; D86-R89 IonicContact OD1-NH2 2.61Å; D86-R89 PolarHBondContact OD1-NH2 2.83Å; D86-R90 PolarHBondContact O-N 3.35Å |
| 87 | L | 73.3 | Confident | 71.5 | Confident | 92 Ų | 92 | 125.1 Ų | 125.1 | 48% | 0.482 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.4 | -36.7 | -179.9 | -174.6 | 60.7 | 0 | 0 | 0 | 111.7 | D83 L84 R89 R90 | D83-L87 PolarHBondContact O-N 3.07Å; L84-L87 PolarHBondContact O-N 3.45Å; L87-R89 VanDerWaalsContact C-N 3.32Å; L87-R89 PolarHBondContact O-N 2.88Å; L87-R90 PolarHBondContact O-N 3.11Å |
| 88 | K | 72.4 | Confident | 69.4 | Low | 172 Ų | 172 | 127 Ų | 127 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.6 | -34.2 | 177.4 | -168 | 178.2 | 179.7 | -177.9 | 0 | 112.5 | L84 D86 | L84-K88 PolarHBondContact O-N 3.04Å; D86-K88 VanDerWaalsContact C-N 3.29Å; D86-K88 PolarHBondContact O-N 3.38Å |
| 89 | R | 66.4 | Low | 68.6 | Low | 150 Ų | 150 | 128.1 Ų | 128.1 | 57% | 0.566 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.2 | -31.5 | 179.5 | -69 | -170 | -82.2 | -122.9 | 3.3 | 113.3 | D86 L87 T92 | D86-R89 PolarHBondContact O-N 3.14Å; D86-R89 IonicContact OD1-CZ 3.45Å; D86-R89 IonicContact OD1-NE 3.53Å; D86-R89 IonicContact OD1-NH2 2.61Å; D86-R89 PolarHBondContact OD1-NH2 2.83Å; L87-R89 VanDerWaalsContact C-N 3.32Å; L87-R89 PolarHBondContact O-N 2.88Å; R89-T92 PolarHBondContact O-OG1 3.12Å; R89-T92 VanDerWaalsContact O-OG1 3.08Å |
| 90 | R | 61.1 | Low | 67.7 | Low | 154 Ų | 154 | 128.2 Ų | 128.2 | 58% | 0.581 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -77.9 | -31.8 | -178.8 | -70.7 | -170 | -71.9 | 162.2 | -3.7 | 113.6 | D86 L87 T92 Q93 | D86-R90 PolarHBondContact O-N 3.35Å; L87-R90 PolarHBondContact O-N 3.11Å; R90-T92 PolarHBondContact O-N 3.02Å; R90-Q93 PolarHBondContact O-N 3.08Å |
| 91 | N | 57.4 | Low | 66.6 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -15.8 | -178 | -150.6 | -17 | 0 | 0 | 0 | 113.2 | ||
| 92 | T | 58.2 | Low | 65.5 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 64% | 0.638 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -10 | 177.9 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | R89 R90 | R89-T92 PolarHBondContact O-OG1 3.12Å; R89-T92 VanDerWaalsContact O-OG1 3.08Å; R90-T92 PolarHBondContact O-N 3.02Å |
| 93 | Q | 57.3 | Low | 64.2 | Low | 158 Ų | 158 | 132.9 Ų | 132.9 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -21.4 | 179.8 | -79.1 | -169.2 | -63.4 | 0 | 0 | 114.1 | R90 | R90-Q93 PolarHBondContact O-N 3.08Š|
| 94 | D | 51.9 | Low | 62.9 | Low | 140 Ų | 140 | 136.5 Ų | 136.5 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -84.1 | -12.3 | -178 | -108.4 | -56.1 | 0 | 0 | 0 | 114.3 | K96 | D94-K96 PolarHBondContact O-N 3.3Å; D94-K96 VanDerWaalsContact O-N 3.12Å |
| 95 | S | 55.1 | Low | 61.5 | Low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -78.7 | 12.5 | 179.1 | -48.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 96 | K | 54.4 | Low | 59.8 | Low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -118 | 17.3 | -177.6 | -74.9 | -102.4 | 179.9 | 165.8 | 0 | 114.2 | D94 | D94-K96 PolarHBondContact O-N 3.3Å; D94-K96 VanDerWaalsContact O-N 3.12Å |
| 97 | K | 52.5 | Low | 58.2 | Low | 187 Ų | 187 | 148.8 Ų | 148.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -145.3 | 82.2 | 168.8 | -162 | 170.9 | -178.6 | -176.2 | 0 | 112.8 | ||||
| 98 | S | 38.4 | Very low | 56.8 | Low | 199 Ų | 199 | 154 Ų | 154 | 100% | 1.392 | 77% | 0.773 | S | S | * | * | trans | -165.3 | 0 | 142.9 | -79.9 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 98 of 98 residues in 94.2 ms
(Link to these results)