| 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 | 44.2 | Very low | 52.3 | Low | 232 Ų | 232 | 143 Ų | 143 | 100% | 1.143 | 83% | 0.829 | S | S | * | * | 0 | 84.3 | 0 | -62.8 | -170.6 | 150.4 | 0 | 0 | 105.5 | |||||
| 2 | S | 43.3 | Very low | 52.2 | Low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 84% | 0.837 | S | S | * | * | 67.2 | 118.1 | 92.9 | -48.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 3 | D | 52.9 | Low | 51.7 | Low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | cis | -155.1 | 158.7 | 17.6 | -94 | -48.2 | 0 | 0 | 0 | 110.6 | ||||
| 4 | P | 55.8 | Low | 52 | Low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 83% | 0.825 | S | S | * | * | trans | -85.4 | 109.1 | 170.9 | 33.3 | -26.6 | 0 | 0 | 0 | 110 | S6 | P4-S6 VanDerWaalsContact C-N 3.33Å; P4-S6 PolarHBondContact O-N 3.44Å | ||
| 5 | S | 52.5 | Low | 52.6 | Low | 127 Ų | 127 | 145 Ų | 145 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -73.2 | 92.5 | 170.6 | -95 | 0 | 0 | 0 | 0 | 110.4 | Q7 | S5-Q7 PolarHBondContact O-N 3.33Å; S5-Q7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | S | 57.8 | Low | 52.7 | Low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -36.6 | 107.3 | 159.5 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | P4 Q8 | P4-S6 VanDerWaalsContact C-N 3.33Å; P4-S6 PolarHBondContact O-N 3.44Å; S6-Q8 VanDerWaalsContact C-N 3.33Å; S6-Q8 PolarHBondContact O-N 3.11Å | ||
| 7 | Q | 62 | Low | 52.4 | Low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -70.2 | 98.3 | 163.1 | -167.1 | 166.3 | 82.1 | 0 | 0 | 107.2 | S5 Q9 | S5-Q7 PolarHBondContact O-N 3.33Å; S5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-Q9 PolarHBondContact O-N 3.38Å; Q7-Q9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | Q | 57.4 | Low | 52.3 | Low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -61.3 | 109.7 | 176.9 | -165.1 | 146.8 | 72.7 | 0 | 0 | 108.5 | S6 P10 | S6-Q8 VanDerWaalsContact C-N 3.33Å; S6-Q8 PolarHBondContact O-N 3.11Å; Q8-P10 WeakPolarHBondContact O-CD 3.43Å | ||
| 9 | Q | 52.8 | Low | 52.3 | Low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 124.6 | 163.6 | -68.1 | -169.7 | -4.5 | 0 | 0 | 107.1 | Q7 G11 | Q7-Q9 PolarHBondContact O-N 3.38Å; Q7-Q9 VanDerWaalsContact O-N 3.12Å; Q9-G11 PolarHBondContact O-N 3.25Å | ||
| 10 | P | 49.5 | Very low | 52.5 | Low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 115.6 | 168.2 | 25.5 | -28.8 | 0 | 0 | 0 | 106.4 | Q8 R12 | Q8-P10 WeakPolarHBondContact O-CD 3.43Å; P10-R12 PolarHBondContact O-N 3.47Å | ||
| 11 | G | 47.1 | Very low | 52.8 | Low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -47.9 | 125.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q9 A13 | Q9-G11 PolarHBondContact O-N 3.25Å; G11-A13 PolarHBondContact O-N 3.13Å | ||
| 12 | R | 51.5 | Low | 53.8 | Low | 246 Ų | 246 | 125.6 Ų | 125.6 | 93% | 0.928 | 74% | 0.744 | S | S | * | * | trans | -56.2 | 97.7 | 164.6 | -73 | 173.2 | 115.4 | -136 | 5.1 | 106 | P10 A14 | P10-R12 PolarHBondContact O-N 3.47Å; R12-A14 PolarHBondContact O-N 3.19Å | ||
| 13 | A | 45 | Very low | 54.8 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -55.1 | 109.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107 | G11 H15 | G11-A13 PolarHBondContact O-N 3.13Å; A13-H15 PolarHBondContact O-N 2.89Å | ||
| 14 | A | 56.4 | Low | 55.6 | Low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | trans | -60.3 | 113.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | R12 L16 | R12-A14 PolarHBondContact O-N 3.19Å; A14-L16 PolarHBondContact O-N 2.78Å | ||
| 15 | H | 61.6 | Low | 56.8 | Low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | -28.2 | 95.8 | 165.5 | -132.6 | -71.6 | 0 | 0 | 0 | 114 | A13 | A13-H15 PolarHBondContact O-N 2.89Š| ||
| 16 | L | 53.2 | Low | 58.4 | Low | 171 Ų | 171 | 124.9 Ų | 124.9 | 90% | 0.895 | 70% | 0.704 | S | S | * | * | trans | -139.8 | 51.5 | 175.5 | -68.5 | 175.7 | 0 | 0 | 0 | 112.9 | A14 | A14-L16 PolarHBondContact O-N 2.78Š| ||
| 17 | G | 47.8 | Very low | 60 | Low | 82 Ų | 82 | 121.3 Ų | 121.3 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -141.1 | 6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 18 | G | 51.6 | Low | 61.5 | Low | 20 Ų | 20 | 119.1 Ų | 119.1 | 21% | 0.206 | 67% | 0.668 | C | S | . | * | trans | -117.7 | 14 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | W20 T21 G22 | G18-W20 PolarHBondContact O-N 3.18Å; G18-T21 WeakPolarHBondContact CA-OG1 3.43Å; G18-T21 PolarHBondContact O-N 3.16Å; G18-T21 PolarHBondContact O-OG1 3.5Å; G18-T21 VanDerWaalsContact O-OG1 3.1Å; G18-G22 PolarHBondContact O-N 3.13Å | ||
| 19 | G | 51.8 | Low | 63.2 | Low | 62 Ų | 62 | 116.5 Ų | 116.5 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -56.6 | -36.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L23 | G19-L23 PolarHBondContact O-N 3.24Å |
| 20 | W | 55.9 | Low | 65.2 | Low | 229 Ų | 229 | 114.9 Ų | 114.9 | 87% | 0.867 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -84.8 | -30.5 | -179.8 | -70.4 | 87.3 | 0 | 0 | 0 | 114 | G18 K24 | G18-W20 PolarHBondContact O-N 3.18Å; W20-K24 PolarHBondContact O-N 3.13Å |
| 21 | T | 59.3 | Low | 67.4 | Low | 95 Ų | 95 | 116.3 Ų | 116.3 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.5 | -38.3 | 176 | 39.3 | 0 | 0 | 0 | 0 | 111.5 | G18 K24 D25 | G18-T21 WeakPolarHBondContact CA-OG1 3.43Å; G18-T21 PolarHBondContact O-N 3.16Å; G18-T21 PolarHBondContact O-OG1 3.5Å; G18-T21 VanDerWaalsContact O-OG1 3.1Å; T21-K24 PolarHBondContact O-N 3.13Å; T21-D25 VanDerWaalsContact O-CB 3.27Å; T21-D25 WeakPolarHBondContact O-CB 3.19Å; T21-D25 PolarHBondContact O-N 3.15Å |
| 22 | G | 64.2 | Low | 69.8 | Low | 36 Ų | 36 | 122.7 Ų | 122.7 | 37% | 0.371 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.4 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G18 D25 E26 | G18-G22 PolarHBondContact O-N 3.13Å; G22-D25 PolarHBondContact O-N 2.91Å; G22-E26 WeakPolarHBondContact O-CG 3.41Å; G22-E26 PolarHBondContact O-N 2.95Å |
| 23 | L | 65.2 | Low | 72 | Confident | 143 Ų | 143 | 118.2 Ų | 118.2 | 75% | 0.749 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.3 | -41.6 | 178.1 | -147.7 | 83.8 | 0 | 0 | 0 | 112.5 | G19 D25 E26 G27 | G19-L23 PolarHBondContact O-N 3.24Å; L23-D25 VanDerWaalsContact C-N 3.26Å; L23-D25 PolarHBondContact O-N 3.43Å; L23-E26 PolarHBondContact O-N 3.45Å; L23-G27 PolarHBondContact O-N 2.85Å; L23-G27 VanDerWaalsContact O-N 3.1Å |
| 24 | K | 69.5 | Low | 74.5 | Confident | 152 Ų | 152 | 117.9 Ų | 117.9 | 66% | 0.661 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.1 | -33.9 | 171.3 | -81.9 | -174.9 | 176 | -178.5 | 0 | 111.8 | W20 T21 R28 | W20-K24 PolarHBondContact O-N 3.13Å; T21-K24 PolarHBondContact O-N 3.13Å; K24-R28 PolarHBondContact O-N 2.84Å; K24-R28 VanDerWaalsContact O-N 3.15Å |
| 25 | D | 79.9 | Confident | 76.5 | Confident | 85 Ų | 85 | 121.4 Ų | 121.4 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.8 | -39.4 | 179.1 | -151.2 | 45 | 0 | 0 | 0 | 112.9 | T21 G22 L23 G27 R28 R29 | T21-D25 VanDerWaalsContact O-CB 3.27Å; T21-D25 WeakPolarHBondContact O-CB 3.19Å; T21-D25 PolarHBondContact O-N 3.15Å; G22-D25 PolarHBondContact O-N 2.91Å; L23-D25 VanDerWaalsContact C-N 3.26Å; L23-D25 PolarHBondContact O-N 3.43Å; D25-G27 VanDerWaalsContact C-N 3.33Å; D25-G27 PolarHBondContact O-N 3.42Å; D25-R28 PolarHBondContact O-N 3.28Å; D25-R28 VanDerWaalsContact O-N 3.17Å; D25-R28 IonicContact OD1-CZ 3.45Å; D25-R28 IonicContact OD1-NE 2.82Å; D25-R28 PolarHBondContact OD1-NE 3.37Å; D25-R28 IonicContact OD1-NH2 3.39Å; D25-R28 PolarHBondContact OD1-NH2 2.7Å; D25-R29 WeakPolarHBondContact O-CB 3.5Å; D25-R29 PolarHBondContact O-N 3.46Å |
| 26 | E | 87.1 | Confident | 78.2 | Confident | 100 Ų | 100 | 118.4 Ų | 118.4 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.6 | -38.8 | 171.4 | -76.1 | -59.5 | 139.4 | 0 | 0 | 111.8 | G22 L23 R28 R29 M30 | G22-E26 WeakPolarHBondContact O-CG 3.41Å; G22-E26 PolarHBondContact O-N 2.95Å; L23-E26 PolarHBondContact O-N 3.45Å; E26-R28 PolarHBondContact O-N 2.95Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 3.05Å; E26-R29 IonicContact OE1-NH1 3.73Å; E26-R29 PolarHBondContact OE1-NH1 3.45Å; E26-R29 IonicContact OE2-NH1 3.86Å; E26-M30 WeakPolarHBondContact O-CB 3.36Å; E26-M30 PolarHBondContact O-N 2.86Å |
| 27 | G | 91.4 | Very high | 80.4 | Confident | 34 Ų | 34 | 116.5 Ų | 116.5 | 35% | 0.351 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.2 | -40.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L23 D25 K31 | L23-G27 PolarHBondContact O-N 2.85Å; L23-G27 VanDerWaalsContact O-N 3.1Å; D25-G27 VanDerWaalsContact C-N 3.33Å; D25-G27 PolarHBondContact O-N 3.42Å; G27-K31 WeakPolarHBondContact O-CG 3.5Å; G27-K31 PolarHBondContact O-N 2.94Å; G27-K31 VanDerWaalsContact O-N 3.12Å |
| 28 | R | 92.8 | Very high | 82.8 | Confident | 146 Ų | 146 | 116 Ų | 116 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.8 | -41 | 173.7 | -74.7 | -173.3 | -68 | -115 | -0.5 | 111.8 | K24 D25 E26 K31 R32 | K24-R28 PolarHBondContact O-N 2.84Å; K24-R28 VanDerWaalsContact O-N 3.15Å; D25-R28 PolarHBondContact O-N 3.28Å; D25-R28 VanDerWaalsContact O-N 3.17Å; D25-R28 IonicContact OD1-CZ 3.45Å; D25-R28 IonicContact OD1-NE 2.82Å; D25-R28 PolarHBondContact OD1-NE 3.37Å; D25-R28 IonicContact OD1-NH2 3.39Å; D25-R28 PolarHBondContact OD1-NH2 2.7Å; E26-R28 PolarHBondContact O-N 2.95Å; R28-K31 PolarHBondContact O-N 3.35Å; R28-R32 WeakPolarHBondContact O-CB 3.1Å; R28-R32 PolarHBondContact O-N 2.93Å |
| 29 | R | 94.1 | Very high | 85 | Confident | 121 Ų | 121 | 117.7 Ų | 117.7 | 46% | 0.457 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.8 | -44.6 | 177.3 | -169.5 | -177.8 | -172.2 | -167.3 | 0.8 | 111.3 | D25 E26 R32 R33 | D25-R29 WeakPolarHBondContact O-CB 3.5Å; D25-R29 PolarHBondContact O-N 3.46Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 3.05Å; E26-R29 IonicContact OE1-NH1 3.73Å; E26-R29 PolarHBondContact OE1-NH1 3.45Å; E26-R29 IonicContact OE2-NH1 3.86Å; R29-R32 WeakPolarHBondContact O-CB 3.49Å; R29-R32 PolarHBondContact O-N 3.06Å; R29-R33 VanDerWaalsContact CZ-NH2 3.31Å; R29-R33 VanDerWaalsContact NH2-NH2 3.14Å; R29-R33 WeakPolarHBondContact O-CG 3.49Å; R29-R33 PolarHBondContact O-N 3.24Å |
| 30 | M | 94.4 | Very high | 87.3 | Confident | 144 Ų | 144 | 116 Ų | 116 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.7 | -47.5 | 175.9 | -166 | -175.6 | -131.6 | 0 | 0 | 111.2 | E26 R32 R33 E34 | E26-M30 WeakPolarHBondContact O-CB 3.36Å; E26-M30 PolarHBondContact O-N 2.86Å; M30-R32 VanDerWaalsContact C-N 3.29Å; M30-R32 PolarHBondContact O-N 3.46Å; M30-R33 PolarHBondContact O-N 2.92Å; M30-E34 PolarHBondContact O-N 2.93Å |
| 31 | K | 95.9 | Very high | 89.3 | Confident | 152 Ų | 152 | 110.5 Ų | 110.5 | 66% | 0.661 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.6 | -38.7 | 174.5 | -73.5 | 176.5 | -176.6 | -178.2 | 0 | 112.5 | G27 R28 K35 | G27-K31 WeakPolarHBondContact O-CG 3.5Å; G27-K31 PolarHBondContact O-N 2.94Å; G27-K31 VanDerWaalsContact O-N 3.12Å; R28-K31 PolarHBondContact O-N 3.35Å; K31-K35 VanDerWaalsContact O-CG 3.32Å; K31-K35 WeakPolarHBondContact O-CG 3.45Å; K31-K35 PolarHBondContact O-N 3.35Å |
| 32 | R | 97 | Very high | 91.2 | Very high | 202 Ų | 202 | 111.8 Ų | 111.8 | 76% | 0.762 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.4 | -44.1 | 177.4 | -165.2 | -175.6 | -142.4 | 167.5 | 6.5 | 111.9 | R28 R29 M30 E34 K35 N36 | R28-R32 WeakPolarHBondContact O-CB 3.1Å; R28-R32 PolarHBondContact O-N 2.93Å; R29-R32 WeakPolarHBondContact O-CB 3.49Å; R29-R32 PolarHBondContact O-N 3.06Å; M30-R32 VanDerWaalsContact C-N 3.29Å; M30-R32 PolarHBondContact O-N 3.46Å; R32-E34 VanDerWaalsContact C-N 3.34Å; R32-K35 PolarHBondContact O-N 3.43Å; R32-N36 WeakPolarHBondContact O-CB 3.27Å; R32-N36 PolarHBondContact O-N 2.91Å |
| 33 | R | 97.6 | Very high | 92.8 | Very high | 153 Ų | 153 | 113.4 Ų | 113.4 | 58% | 0.577 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 176 | -73.9 | 178.2 | 179.9 | -159.6 | 0.9 | 111.1 | R29 M30 N36 R37 | R29-R33 VanDerWaalsContact CZ-NH2 3.31Å; R29-R33 VanDerWaalsContact NH2-NH2 3.14Å; R29-R33 WeakPolarHBondContact O-CG 3.49Å; R29-R33 PolarHBondContact O-N 3.24Å; M30-R33 PolarHBondContact O-N 2.92Å; R33-N36 PolarHBondContact O-N 3.49Å; R33-R37 WeakPolarHBondContact O-CB 3.33Å; R33-R37 PolarHBondContact O-N 3.04Å |
| 34 | E | 97.8 | Very high | 94.4 | Very high | 89 Ų | 89 | 113.7 Ų | 113.7 | 42% | 0.416 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 178.8 | -176 | 55.9 | -161.2 | 0 | 0 | 111.9 | M30 R32 N36 R37 V38 | M30-E34 PolarHBondContact O-N 2.93Å; R32-E34 VanDerWaalsContact C-N 3.34Å; E34-N36 VanDerWaalsContact C-N 3.35Å; E34-N36 PolarHBondContact O-N 2.86Å; E34-R37 WeakPolarHBondContact O-CB 3.4Å; E34-R37 PolarHBondContact O-N 3.45Å; E34-R37 IonicContact OE1-CZ 3.53Å; E34-R37 IonicContact OE1-NE 2.88Å; E34-R37 PolarHBondContact OE1-NE 2.9Å; E34-R37 IonicContact OE1-NH2 2.69Å; E34-R37 PolarHBondContact OE1-NH2 2.92Å; E34-R37 IonicContact OE2-CZ 2.96Å; E34-R37 IonicContact OE2-NE 3.26Å; E34-R37 PolarHBondContact OE2-NE 3.16Å; E34-R37 IonicContact OE2-NH2 3.59Å; E34-V38 WeakPolarHBondContact O-CG2 3.35Å; E34-V38 PolarHBondContact O-N 3.35Å |
| 35 | K | 98.3 | Very high | 95.8 | Very high | 160 Ų | 160 | 112.8 Ų | 112.8 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -44.2 | 172.7 | -73.7 | 177.3 | -179 | -172.9 | 0 | 112.3 | K31 R32 V38 A39 | K31-K35 VanDerWaalsContact O-CG 3.32Å; K31-K35 WeakPolarHBondContact O-CG 3.45Å; K31-K35 PolarHBondContact O-N 3.35Å; R32-K35 PolarHBondContact O-N 3.43Å; K35-V38 PolarHBondContact O-N 2.7Å; K35-A39 WeakPolarHBondContact O-CB 3.37Å; K35-A39 PolarHBondContact O-N 3.46Å |
| 36 | N | 98.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 115.8 Ų | 115.8 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.8 | -39.2 | 177.9 | -178.7 | -95.3 | 0 | 0 | 0 | 112 | R32 R33 E34 V38 A39 A40 | R32-N36 WeakPolarHBondContact O-CB 3.27Å; R32-N36 PolarHBondContact O-N 2.91Å; R33-N36 PolarHBondContact O-N 3.49Å; E34-N36 VanDerWaalsContact C-N 3.35Å; E34-N36 PolarHBondContact O-N 2.86Å; N36-V38 VanDerWaalsContact C-N 3.35Å; N36-V38 PolarHBondContact O-N 2.92Å; N36-A39 PolarHBondContact O-N 3.44Å; N36-A40 VanDerWaalsContact O-CB 3.31Å; N36-A40 WeakPolarHBondContact O-CB 3.48Å; N36-A40 PolarHBondContact O-N 3.49Å |
| 37 | R | 98.5 | Very high | 97.3 | Very high | 130 Ų | 130 | 117.7 Ų | 117.7 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 175.5 | -171 | -174.4 | 73.5 | 84.3 | 1.5 | 110.9 | R33 E34 A40 Q41 | R33-R37 WeakPolarHBondContact O-CB 3.33Å; R33-R37 PolarHBondContact O-N 3.04Å; E34-R37 WeakPolarHBondContact O-CB 3.4Å; E34-R37 PolarHBondContact O-N 3.45Å; E34-R37 IonicContact OE1-CZ 3.53Å; E34-R37 IonicContact OE1-NE 2.88Å; E34-R37 PolarHBondContact OE1-NE 2.9Å; E34-R37 IonicContact OE1-NH2 2.69Å; E34-R37 PolarHBondContact OE1-NH2 2.92Å; E34-R37 IonicContact OE2-CZ 2.96Å; E34-R37 IonicContact OE2-NE 3.26Å; E34-R37 PolarHBondContact OE2-NE 3.16Å; E34-R37 IonicContact OE2-NH2 3.59Å; R37-A40 PolarHBondContact O-N 2.94Å; R37-Q41 WeakPolarHBondContact O-CB 3.46Å; R37-Q41 PolarHBondContact O-N 3.44Å |
| 38 | V | 98.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 120 Ų | 120 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 176.5 | 175 | 0 | 0 | 0 | 0 | 111.3 | E34 K35 N36 A40 Q41 K42 | E34-V38 WeakPolarHBondContact O-CG2 3.35Å; E34-V38 PolarHBondContact O-N 3.35Å; K35-V38 PolarHBondContact O-N 2.7Å; N36-V38 VanDerWaalsContact C-N 3.35Å; N36-V38 PolarHBondContact O-N 2.92Å; V38-A40 PolarHBondContact O-N 2.93Å; V38-Q41 PolarHBondContact O-N 2.91Å; V38-K42 WeakPolarHBondContact O-CB 3.31Å; V38-K42 PolarHBondContact O-N 3.28Å |
| 39 | A | 98.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 117.2 Ų | 117.2 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K35 N36 K42 S43 | K35-A39 WeakPolarHBondContact O-CB 3.37Å; K35-A39 PolarHBondContact O-N 3.46Å; N36-A39 PolarHBondContact O-N 3.44Å; A39-K42 PolarHBondContact O-N 3.43Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.22Å |
| 40 | A | 98.7 | Very high | 98.1 | Very high | 27 Ų | 27 | 119.8 Ų | 119.8 | 22% | 0.223 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N36 R37 V38 S43 R44 | N36-A40 VanDerWaalsContact O-CB 3.31Å; N36-A40 WeakPolarHBondContact O-CB 3.48Å; N36-A40 PolarHBondContact O-N 3.49Å; R37-A40 PolarHBondContact O-N 2.94Å; V38-A40 PolarHBondContact O-N 2.93Å; A40-S43 PolarHBondContact O-N 3.34Å; A40-R44 WeakPolarHBondContact O-CG 3.42Å; A40-R44 PolarHBondContact O-N 2.92Å |
| 41 | Q | 98.8 | Very high | 98.3 | Very high | 113 Ų | 113 | 115.6 Ų | 115.6 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.4 | -172.4 | 179.8 | 13 | 0 | 0 | 111.5 | R37 V38 R44 K45 | R37-Q41 WeakPolarHBondContact O-CB 3.46Å; R37-Q41 PolarHBondContact O-N 3.44Å; V38-Q41 PolarHBondContact O-N 2.91Å; Q41-R44 PolarHBondContact O-N 3.23Å; Q41-K45 WeakPolarHBondContact O-CB 3.31Å; Q41-K45 PolarHBondContact O-N 3.34Å |
| 42 | K | 98.8 | Very high | 98.5 | Very high | 121 Ų | 121 | 112.2 Ų | 112.2 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 176.7 | -170.5 | 175.5 | -172.9 | 176.4 | 0 | 111.8 | V38 A39 K45 R46 | V38-K42 WeakPolarHBondContact O-CB 3.31Å; V38-K42 PolarHBondContact O-N 3.28Å; A39-K42 PolarHBondContact O-N 3.43Å; K42-K45 PolarHBondContact O-N 3.09Å; K42-R46 WeakPolarHBondContact O-CG 3.47Å; K42-R46 PolarHBondContact O-N 2.85Å |
| 43 | S | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 108.9 Ų | 108.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 176 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | A39 A40 K45 R46 Q47 | A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.22Å; A40-S43 PolarHBondContact O-N 3.34Å; S43-K45 PolarHBondContact O-N 3.43Å; S43-R46 PolarHBondContact O-N 3.44Å; S43-Q47 PolarHBondContact O-N 3.37Å |
| 44 | R | 98.8 | Very high | 98.6 | Very high | 149 Ų | 149 | 106.4 Ų | 106.4 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.4 | -47.7 | 174.6 | -74.7 | -171.5 | -71.3 | -95.7 | 3.6 | 111.8 | A40 Q41 R46 Q47 T48 | A40-R44 WeakPolarHBondContact O-CG 3.42Å; A40-R44 PolarHBondContact O-N 2.92Å; Q41-R44 PolarHBondContact O-N 3.23Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R44-R46 PolarHBondContact O-N 3.46Å; R44-Q47 WeakPolarHBondContact O-CB 3.33Å; R44-Q47 PolarHBondContact O-N 2.87Å; R44-Q47 VanDerWaalsContact O-N 3.13Å; R44-T48 PolarHBondContact O-N 2.92Å; R44-T48 PolarHBondContact O-OG1 3.18Å |
| 45 | K | 98.7 | Very high | 98.7 | Very high | 132 Ų | 132 | 107.7 Ų | 107.7 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.4 | -44.9 | 177.5 | -174.6 | 175.6 | -178.2 | 176.8 | 0 | 112 | Q41 K42 S43 Q47 T48 Q49 | Q41-K45 WeakPolarHBondContact O-CB 3.31Å; Q41-K45 PolarHBondContact O-N 3.34Å; K42-K45 PolarHBondContact O-N 3.09Å; S43-K45 PolarHBondContact O-N 3.43Å; K45-Q47 VanDerWaalsContact C-N 3.31Å; K45-Q47 PolarHBondContact O-N 3.32Å; K45-T48 PolarHBondContact O-N 2.91Å; K45-Q49 HydrophobicContact CG-CG 4.43Å; K45-Q49 WeakPolarHBondContact O-CB 3.42Å; K45-Q49 VanDerWaalsContact O-CG 3.26Å; K45-Q49 WeakPolarHBondContact O-CG 3.39Å; K45-Q49 PolarHBondContact O-N 3.25Å |
| 46 | R | 98.8 | Very high | 98.7 | Very high | 149 Ų | 149 | 106 Ų | 106 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 177 | -73.6 | -178.2 | -175.2 | -75.7 | 11.2 | 112 | K42 S43 R44 R50 | K42-R46 WeakPolarHBondContact O-CG 3.47Å; K42-R46 PolarHBondContact O-N 2.85Å; S43-R46 PolarHBondContact O-N 3.44Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R44-R46 PolarHBondContact O-N 3.46Å; R46-R50 WeakPolarHBondContact O-CB 3.48Å; R46-R50 PolarHBondContact O-N 3.49Å |
| 47 | Q | 98.8 | Very high | 98.7 | Very high | 140 Ų | 140 | 103 Ų | 103 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -47.6 | 177.7 | -173.8 | 173.2 | 13.4 | 0 | 0 | 111.4 | S43 R44 K45 R50 A51 | S43-Q47 PolarHBondContact O-N 3.37Å; R44-Q47 WeakPolarHBondContact O-CB 3.33Å; R44-Q47 PolarHBondContact O-N 2.87Å; R44-Q47 VanDerWaalsContact O-N 3.13Å; K45-Q47 VanDerWaalsContact C-N 3.31Å; K45-Q47 PolarHBondContact O-N 3.32Å; Q47-R50 PolarHBondContact O-N 3.37Å; Q47-A51 PolarHBondContact O-N 2.81Å |
| 48 | T | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 175 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | R44 K45 R50 A51 D52 | R44-T48 PolarHBondContact O-N 2.92Å; R44-T48 PolarHBondContact O-OG1 3.18Å; K45-T48 PolarHBondContact O-N 2.91Å; T48-R50 VanDerWaalsContact C-N 3.27Å; T48-R50 PolarHBondContact O-N 2.91Å; T48-A51 WeakPolarHBondContact O-CA 3.37Å; T48-A51 WeakPolarHBondContact O-CB 3.04Å; T48-A51 PolarHBondContact O-N 2.98Å; T48-D52 PolarHBondContact O-N 3.33Å |
| 49 | Q | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 101.3 Ų | 101.3 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 178.1 | -75.1 | 178.4 | -25.7 | 0 | 0 | 112.9 | K45 D52 Q53 | K45-Q49 HydrophobicContact CG-CG 4.43Å; K45-Q49 WeakPolarHBondContact O-CB 3.42Å; K45-Q49 VanDerWaalsContact O-CG 3.26Å; K45-Q49 WeakPolarHBondContact O-CG 3.39Å; K45-Q49 PolarHBondContact O-N 3.25Å; Q49-D52 PolarHBondContact O-N 2.94Å; Q49-Q53 WeakPolarHBondContact O-CB 3.39Å; Q49-Q53 VanDerWaalsContact O-CG 3.24Å; Q49-Q53 WeakPolarHBondContact O-CG 3.49Å; Q49-Q53 PolarHBondContact O-N 3.12Å |
| 50 | R | 98.8 | Very high | 98.8 | Very high | 175 Ų | 175 | 104 Ų | 104 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 176.2 | -176 | 177.7 | -179.2 | 175.5 | -0 | 111.5 | R46 Q47 T48 L54 | R46-R50 WeakPolarHBondContact O-CB 3.48Å; R46-R50 PolarHBondContact O-N 3.49Å; Q47-R50 PolarHBondContact O-N 3.37Å; T48-R50 VanDerWaalsContact C-N 3.27Å; T48-R50 PolarHBondContact O-N 2.91Å; R50-L54 HydrophobicContact CG-CD1 4.17Å; R50-L54 WeakPolarHBondContact O-CB 3.49Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.25Å; R50-L54 PolarHBondContact O-N 3.32Å |
| 51 | A | 98.8 | Very high | 98.8 | Very high | 57 Ų | 57 | 108.2 Ų | 108.2 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q47 T48 Q53 L54 H55 | Q47-A51 PolarHBondContact O-N 2.81Å; T48-A51 WeakPolarHBondContact O-CA 3.37Å; T48-A51 WeakPolarHBondContact O-CB 3.04Å; T48-A51 PolarHBondContact O-N 2.98Å; A51-Q53 PolarHBondContact O-N 3.34Å; A51-L54 PolarHBondContact O-N 3Å; A51-H55 WeakPolarHBondContact O-CB 3.38Å; A51-H55 PolarHBondContact O-N 3.49Å |
| 52 | D | 98.8 | Very high | 98.8 | Very high | 80 Ų | 80 | 108 Ų | 108 | 43% | 0.428 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 178.4 | -58.6 | -25 | 0 | 0 | 0 | 111.4 | T48 Q49 L54 H55 Q56 | T48-D52 PolarHBondContact O-N 3.33Å; Q49-D52 PolarHBondContact O-N 2.94Å; D52-L54 PolarHBondContact O-N 3.17Å; D52-H55 PolarHBondContact O-N 2.97Å; D52-Q56 VanDerWaalsContact O-CG 3.3Å; D52-Q56 WeakPolarHBondContact O-CG 3.36Å; D52-Q56 PolarHBondContact O-N 3.48Å |
| 53 | Q | 98.8 | Very high | 98.8 | Very high | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 177.1 | -75.9 | 173.8 | -14 | 0 | 0 | 112.4 | Q49 A51 A57 | Q49-Q53 WeakPolarHBondContact O-CB 3.39Å; Q49-Q53 VanDerWaalsContact O-CG 3.24Å; Q49-Q53 WeakPolarHBondContact O-CG 3.49Å; Q49-Q53 PolarHBondContact O-N 3.12Å; A51-Q53 PolarHBondContact O-N 3.34Å; Q53-A57 WeakPolarHBondContact O-CB 3.33Å; Q53-A57 PolarHBondContact O-N 3.02Å |
| 54 | L | 98.9 | Very high | 98.8 | Very high | 102 Ų | 102 | 112.7 Ų | 112.7 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.8 | -73.9 | 170.3 | 0 | 0 | 0 | 111.1 | R50 A51 D52 A57 C58 | R50-L54 HydrophobicContact CG-CD1 4.17Å; R50-L54 WeakPolarHBondContact O-CB 3.49Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.25Å; R50-L54 PolarHBondContact O-N 3.32Å; A51-L54 PolarHBondContact O-N 3Å; D52-L54 PolarHBondContact O-N 3.17Å; L54-A57 PolarHBondContact O-N 2.9Å; L54-C58 PolarHBondContact O-N 2.94Å; L54-C58 PolarHBondContact O-SG 3.24Å; L54-C58 VanDerWaalsContact O-SG 3.33Å |
| 55 | H | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 109.2 Ų | 109.2 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -50.6 | 178 | -172.6 | 62.4 | 0 | 0 | 0 | 111.5 | A51 D52 A57 C58 E59 | A51-H55 WeakPolarHBondContact O-CB 3.38Å; A51-H55 PolarHBondContact O-N 3.49Å; D52-H55 PolarHBondContact O-N 2.97Å; H55-A57 VanDerWaalsContact C-N 3.29Å; H55-A57 PolarHBondContact O-N 3.46Å; H55-C58 WeakPolarHBondContact O-CB 3.48Å; H55-C58 PolarHBondContact O-N 3.36Å; H55-C58 VanDerWaalsContact O-N 3.12Å; H55-E59 IonicContact CD2-OE1 3.96Å; H55-E59 IonicContact CD2-OE2 3.85Å; H55-E59 IonicContact CE1-OE1 3.24Å; H55-E59 IonicContact NE2-OE1 3.49Å; H55-E59 PolarHBondContact NE2-OE1 3.35Å; H55-E59 WeakPolarHBondContact O-CG 3.38Å; H55-E59 PolarHBondContact O-N 3.28Å |
| 56 | Q | 98.8 | Very high | 98.8 | Very high | 124 Ų | 124 | 108.5 Ų | 108.5 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.3 | -41 | 176.6 | -70.7 | 172.1 | 10.8 | 0 | 0 | 112.2 | D52 E59 L60 | D52-Q56 VanDerWaalsContact O-CG 3.3Å; D52-Q56 WeakPolarHBondContact O-CG 3.36Å; D52-Q56 PolarHBondContact O-N 3.48Å; Q56-E59 PolarHBondContact O-N 2.98Å; Q56-L60 WeakPolarHBondContact O-CB 3.3Å; Q56-L60 PolarHBondContact O-N 2.99Å |
| 57 | A | 98.7 | Very high | 98.8 | Very high | 48 Ų | 48 | 108.2 Ų | 108.2 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q53 L54 H55 L60 L61 | Q53-A57 WeakPolarHBondContact O-CB 3.33Å; Q53-A57 PolarHBondContact O-N 3.02Å; L54-A57 PolarHBondContact O-N 2.9Å; H55-A57 VanDerWaalsContact C-N 3.29Å; H55-A57 PolarHBondContact O-N 3.46Å; A57-L60 PolarHBondContact O-N 3.28Å; A57-L61 WeakPolarHBondContact O-CB 3.4Å; A57-L61 VanDerWaalsContact O-CG 3.26Å; A57-L61 WeakPolarHBondContact O-CG 3.29Å; A57-L61 PolarHBondContact O-N 3.48Å |
| 58 | C | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 105.4 Ų | 105.4 | 46% | 0.459 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 174.7 | -72.4 | 0 | 0 | 0 | 0 | 111.3 | L54 H55 L60 L61 E62 | L54-C58 PolarHBondContact O-N 2.94Å; L54-C58 PolarHBondContact O-SG 3.24Å; L54-C58 VanDerWaalsContact O-SG 3.33Å; H55-C58 WeakPolarHBondContact O-CB 3.48Å; H55-C58 PolarHBondContact O-N 3.36Å; H55-C58 VanDerWaalsContact O-N 3.12Å; C58-L60 VanDerWaalsContact C-N 3.31Å; C58-L60 PolarHBondContact O-N 3.03Å; C58-L61 PolarHBondContact O-N 3.47Å; C58-E62 WeakPolarHBondContact O-CG 3.36Å; C58-E62 PolarHBondContact O-N 2.98Å |
| 59 | E | 98.9 | Very high | 98.8 | Very high | 98 Ų | 98 | 107.5 Ų | 107.5 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 179.7 | -69.5 | -178.7 | 136.8 | 0 | 0 | 112.1 | H55 Q56 E62 Q63 | H55-E59 IonicContact CD2-OE1 3.96Å; H55-E59 IonicContact CD2-OE2 3.85Å; H55-E59 IonicContact CE1-OE1 3.24Å; H55-E59 IonicContact NE2-OE1 3.49Å; H55-E59 PolarHBondContact NE2-OE1 3.35Å; H55-E59 WeakPolarHBondContact O-CG 3.38Å; H55-E59 PolarHBondContact O-N 3.28Å; Q56-E59 PolarHBondContact O-N 2.98Å; E59-E62 PolarHBondContact O-N 2.89Å; E59-Q63 WeakPolarHBondContact O-CB 3.41Å; E59-Q63 PolarHBondContact O-N 3.24Å |
| 60 | L | 98.8 | Very high | 98.8 | Very high | 112 Ų | 112 | 111.3 Ų | 111.3 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 177.2 | -179.4 | 62.9 | 0 | 0 | 0 | 111.8 | Q56 A57 C58 Q63 R64 | Q56-L60 WeakPolarHBondContact O-CB 3.3Å; Q56-L60 PolarHBondContact O-N 2.99Å; A57-L60 PolarHBondContact O-N 3.28Å; C58-L60 VanDerWaalsContact C-N 3.31Å; C58-L60 PolarHBondContact O-N 3.03Å; L60-Q63 PolarHBondContact O-N 2.9Å; L60-R64 WeakPolarHBondContact O-CB 3.26Å; L60-R64 PolarHBondContact O-N 2.94Å |
| 61 | L | 98.9 | Very high | 98.8 | Very high | 116 Ų | 116 | 107.9 Ų | 107.9 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 177.6 | -75 | 172.8 | 0 | 0 | 0 | 111.4 | A57 C58 R64 N65 | A57-L61 WeakPolarHBondContact O-CB 3.4Å; A57-L61 VanDerWaalsContact O-CG 3.26Å; A57-L61 WeakPolarHBondContact O-CG 3.29Å; A57-L61 PolarHBondContact O-N 3.48Å; C58-L61 PolarHBondContact O-N 3.47Å; L61-R64 PolarHBondContact O-N 3.29Å; L61-N65 VanDerWaalsContact O-CB 3.29Å; L61-N65 WeakPolarHBondContact O-CB 3.47Å; L61-N65 PolarHBondContact O-N 3.41Å |
| 62 | E | 98.8 | Very high | 98.8 | Very high | 109 Ų | 109 | 109.3 Ų | 109.3 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 175.3 | -72.8 | -178.7 | -175 | 0 | 0 | 111.9 | C58 E59 R64 N65 R66 | C58-E62 WeakPolarHBondContact O-CG 3.36Å; C58-E62 PolarHBondContact O-N 2.98Å; E59-E62 PolarHBondContact O-N 2.89Å; E62-R64 VanDerWaalsContact C-N 3.35Å; E62-R64 PolarHBondContact O-N 3.13Å; E62-N65 PolarHBondContact O-N 2.92Å; E62-R66 WeakPolarHBondContact O-CB 3.4Å; E62-R66 WeakPolarHBondContact O-CG 3.4Å; E62-R66 PolarHBondContact O-N 2.92Å; E62-R66 IonicContact OE2-NH1 3.63Å; E62-R66 PolarHBondContact OE2-NH1 3.46Å |
| 63 | Q | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 109.8 Ų | 109.8 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.2 | -46.3 | 175.1 | -172.8 | -172.5 | 33.5 | 0 | 0 | 111.1 | E59 L60 R66 K67 | E59-Q63 WeakPolarHBondContact O-CB 3.41Å; E59-Q63 PolarHBondContact O-N 3.24Å; L60-Q63 PolarHBondContact O-N 2.9Å; Q63-R66 PolarHBondContact O-N 3.47Å; Q63-K67 PolarHBondContact O-N 3.01Å |
| 64 | R | 98.8 | Very high | 98.8 | Very high | 171 Ų | 171 | 106.7 Ų | 106.7 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 176.9 | -175.7 | 174.5 | -179.4 | 162.8 | 0.6 | 111.5 | L60 L61 E62 K67 L68 | L60-R64 WeakPolarHBondContact O-CB 3.26Å; L60-R64 PolarHBondContact O-N 2.94Å; L61-R64 PolarHBondContact O-N 3.29Å; E62-R64 VanDerWaalsContact C-N 3.35Å; E62-R64 PolarHBondContact O-N 3.13Å; R64-K67 PolarHBondContact O-N 2.93Å; R64-L68 HydrophobicContact CG-CD1 4.04Å; R64-L68 HydrophobicContact CG-CG 4.43Å; R64-L68 WeakPolarHBondContact O-CG 3.27Å; R64-L68 PolarHBondContact O-N 3.47Å |
| 65 | N | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 106.4 Ų | 106.4 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 177 | -170.9 | -92.5 | 0 | 0 | 0 | 111.4 | L61 E62 K67 L68 K69 | L61-N65 VanDerWaalsContact O-CB 3.29Å; L61-N65 WeakPolarHBondContact O-CB 3.47Å; L61-N65 PolarHBondContact O-N 3.41Å; E62-N65 PolarHBondContact O-N 2.92Å; N65-K67 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 3.42Å; N65-L68 PolarHBondContact O-N 3.39Å; N65-K69 WeakPolarHBondContact O-CB 3.34Å; N65-K69 WeakPolarHBondContact O-CG 3.48Å; N65-K69 PolarHBondContact O-N 3.18Å; N65-K69 WeakPolarHBondContact OD1-CD 3.44Å; N65-K69 WeakPolarHBondContact OD1-CE 3.37Å; N65-K69 PolarHBondContact OD1-NZ 3.44Å |
| 66 | R | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 103.5 Ų | 103.5 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 174.4 | -73.8 | -172.5 | -63.2 | -95.8 | 2.6 | 111.8 | E62 Q63 R70 | E62-R66 WeakPolarHBondContact O-CB 3.4Å; E62-R66 WeakPolarHBondContact O-CG 3.4Å; E62-R66 PolarHBondContact O-N 2.92Å; E62-R66 IonicContact OE2-NH1 3.63Å; E62-R66 PolarHBondContact OE2-NH1 3.46Å; Q63-R66 PolarHBondContact O-N 3.47Å; R66-R70 WeakPolarHBondContact O-CG 3.41Å; R66-R70 PolarHBondContact O-N 2.85Å |
| 67 | K | 98.8 | Very high | 98.8 | Very high | 144 Ų | 144 | 104.2 Ų | 104.2 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -49.4 | 177.1 | -175.8 | -179.7 | 175.8 | -175.9 | 0 | 111.5 | Q63 R64 N65 K69 R70 E71 | Q63-K67 PolarHBondContact O-N 3.01Å; R64-K67 PolarHBondContact O-N 2.93Å; N65-K67 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 3.42Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K67-K69 PolarHBondContact O-N 2.93Å; K67-R70 PolarHBondContact O-N 3.36Å; K67-E71 PolarHBondContact O-N 2.94Å; K67-E71 VanDerWaalsContact O-N 3.09Å |
| 68 | L | 98.9 | Very high | 98.8 | Very high | 81 Ų | 81 | 107.1 Ų | 107.1 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 179.9 | -71.8 | 170.8 | 0 | 0 | 0 | 112.1 | R64 N65 E71 V72 | R64-L68 HydrophobicContact CG-CD1 4.04Å; R64-L68 HydrophobicContact CG-CG 4.43Å; R64-L68 WeakPolarHBondContact O-CG 3.27Å; R64-L68 PolarHBondContact O-N 3.47Å; N65-L68 PolarHBondContact O-N 3.39Å; L68-E71 WeakPolarHBondContact O-CB 3.42Å; L68-E71 PolarHBondContact O-N 2.92Å; L68-V72 WeakPolarHBondContact O-CG2 3.24Å; L68-V72 PolarHBondContact O-N 3.19Å |
| 69 | K | 98.8 | Very high | 98.8 | Very high | 125 Ų | 125 | 109 Ų | 109 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 175.6 | -78.4 | 174.6 | 171.2 | 166 | 0 | 112.1 | N65 K67 E71 V72 D73 | N65-K69 WeakPolarHBondContact O-CB 3.34Å; N65-K69 WeakPolarHBondContact O-CG 3.48Å; N65-K69 PolarHBondContact O-N 3.18Å; N65-K69 WeakPolarHBondContact OD1-CD 3.44Å; N65-K69 WeakPolarHBondContact OD1-CE 3.37Å; N65-K69 PolarHBondContact OD1-NZ 3.44Å; K67-K69 VanDerWaalsContact C-N 3.33Å; K67-K69 PolarHBondContact O-N 2.93Å; K69-E71 VanDerWaalsContact C-N 3.27Å; K69-E71 PolarHBondContact O-N 3.1Å; K69-V72 WeakPolarHBondContact O-CB 3.42Å; K69-V72 PolarHBondContact O-N 2.99Å; K69-D73 PolarHBondContact O-N 3.26Å |
| 70 | R | 98.8 | Very high | 98.8 | Very high | 168 Ų | 168 | 108.4 Ų | 108.4 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.5 | -37.9 | 175.9 | -67.8 | 174.2 | -167.3 | 153.1 | -0.4 | 112.8 | R66 K67 D73 S74 | R66-R70 WeakPolarHBondContact O-CG 3.41Å; R66-R70 PolarHBondContact O-N 2.85Å; K67-R70 PolarHBondContact O-N 3.36Å; R70-D73 PolarHBondContact O-N 3.45Å; R70-S74 VanDerWaalsContact O-CB 3.3Å; R70-S74 WeakPolarHBondContact O-CB 3.45Å; R70-S74 PolarHBondContact O-N 3.22Å |
| 71 | E | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 109.7 Ų | 109.7 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 176.7 | -172.8 | 173.8 | 178.6 | 0 | 0 | 111.1 | K67 L68 K69 S74 L75 | K67-E71 PolarHBondContact O-N 2.94Å; K67-E71 VanDerWaalsContact O-N 3.09Å; L68-E71 WeakPolarHBondContact O-CB 3.42Å; L68-E71 PolarHBondContact O-N 2.92Å; K69-E71 VanDerWaalsContact C-N 3.27Å; K69-E71 PolarHBondContact O-N 3.1Å; E71-S74 PolarHBondContact O-N 2.8Å; E71-L75 HydrophobicContact CG-CD1 4.1Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 VanDerWaalsContact O-CG 3.25Å; E71-L75 WeakPolarHBondContact O-CG 3.3Å; E71-L75 PolarHBondContact O-N 2.95Å |
| 72 | V | 98.9 | Very high | 98.8 | Very high | 86 Ų | 86 | 108.4 Ų | 108.4 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 172.8 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | L68 K69 L75 S76 | L68-V72 WeakPolarHBondContact O-CG2 3.24Å; L68-V72 PolarHBondContact O-N 3.19Å; K69-V72 WeakPolarHBondContact O-CB 3.42Å; K69-V72 PolarHBondContact O-N 2.99Å; V72-L75 PolarHBondContact O-N 3.12Å; V72-S76 WeakPolarHBondContact O-CB 3.43Å; V72-S76 PolarHBondContact O-N 2.79Å; V72-S76 PolarHBondContact O-OG 3.44Å |
| 73 | D | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 105.7 Ų | 105.7 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 179.9 | -62.8 | -25.2 | 0 | 0 | 0 | 110.4 | K69 R70 L75 S76 E77 | K69-D73 PolarHBondContact O-N 3.26Å; R70-D73 PolarHBondContact O-N 3.45Å; D73-L75 PolarHBondContact O-N 3.34Å; D73-S76 WeakPolarHBondContact O-CB 3.37Å; D73-S76 PolarHBondContact O-N 3.36Å; D73-S76 VanDerWaalsContact O-N 3.16Å; D73-E77 WeakPolarHBondContact O-CG 3.26Å; D73-E77 PolarHBondContact O-N 3.47Å |
| 74 | S | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 105.6 Ų | 105.6 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 178.4 | -178 | 0 | 0 | 0 | 0 | 112.9 | R70 E71 S76 E77 E78 | R70-S74 VanDerWaalsContact O-CB 3.3Å; R70-S74 WeakPolarHBondContact O-CB 3.45Å; R70-S74 PolarHBondContact O-N 3.22Å; E71-S74 PolarHBondContact O-N 2.8Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S74-E77 PolarHBondContact O-N 3.41Å; S74-E78 PolarHBondContact O-N 2.94Å |
| 75 | L | 98.9 | Very high | 98.7 | Very high | 96 Ų | 96 | 99.7 Ų | 99.7 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -34 | 177.6 | -72 | 170.8 | 0 | 0 | 0 | 111.7 | E71 V72 D73 E78 Q79 | E71-L75 HydrophobicContact CG-CD1 4.1Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 VanDerWaalsContact O-CG 3.25Å; E71-L75 WeakPolarHBondContact O-CG 3.3Å; E71-L75 PolarHBondContact O-N 2.95Å; V72-L75 PolarHBondContact O-N 3.12Å; D73-L75 PolarHBondContact O-N 3.34Å; L75-E78 PolarHBondContact O-N 3.42Å; L75-Q79 VanDerWaalsContact O-CB 3.31Å; L75-Q79 WeakPolarHBondContact O-CB 3.46Å; L75-Q79 PolarHBondContact O-N 3.48Å |
| 76 | S | 98.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 102 Ų | 102 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | V72 D73 S74 Q79 N80 | V72-S76 WeakPolarHBondContact O-CB 3.43Å; V72-S76 PolarHBondContact O-N 2.79Å; V72-S76 PolarHBondContact O-OG 3.44Å; D73-S76 WeakPolarHBondContact O-CB 3.37Å; D73-S76 PolarHBondContact O-N 3.36Å; D73-S76 VanDerWaalsContact O-N 3.16Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S76-Q79 PolarHBondContact O-N 2.94Å; S76-N80 WeakPolarHBondContact O-CB 3.43Å; S76-N80 VanDerWaalsContact O-CG 3.24Å; S76-N80 PolarHBondContact O-N 2.88Å; S76-N80 PolarHBondContact O-ND2 3.26Å |
| 77 | E | 98.8 | Very high | 98.4 | Very high | 138 Ų | 138 | 104.8 Ų | 104.8 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -46.3 | 172.9 | -73.4 | 173.3 | -172.6 | 0 | 0 | 111.5 | D73 S74 N80 F81 | D73-E77 WeakPolarHBondContact O-CG 3.26Å; D73-E77 PolarHBondContact O-N 3.47Å; S74-E77 PolarHBondContact O-N 3.41Å; E77-N80 PolarHBondContact O-N 2.91Å; E77-F81 WeakPolarHBondContact O-CB 3.46Å; E77-F81 PolarHBondContact O-N 2.88Å |
| 78 | E | 98.7 | Very high | 98.2 | Very high | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 177.3 | -174.4 | 174.5 | -171 | 0 | 0 | 111.9 | S74 L75 N80 F81 L82 | S74-E78 PolarHBondContact O-N 2.94Å; L75-E78 PolarHBondContact O-N 3.42Å; E78-N80 VanDerWaalsContact C-N 3.35Å; E78-N80 PolarHBondContact O-N 3.02Å; E78-F81 PolarHBondContact O-N 3.17Å; E78-L82 HydrophobicContact CG-CD1 4.07Å; E78-L82 HydrophobicContact CG-CG 4.46Å; E78-L82 WeakPolarHBondContact O-CB 3.4Å; E78-L82 VanDerWaalsContact O-CG 3.31Å; E78-L82 WeakPolarHBondContact O-CG 3.32Å; E78-L82 PolarHBondContact O-N 3.45Å |
| 79 | Q | 98.7 | Very high | 98 | Very high | 107 Ų | 107 | 102 Ų | 102 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.8 | -176.4 | -86.2 | 1.3 | 0 | 0 | 111.6 | L75 S76 S83 | L75-Q79 VanDerWaalsContact O-CB 3.31Å; L75-Q79 WeakPolarHBondContact O-CB 3.46Å; L75-Q79 PolarHBondContact O-N 3.48Å; S76-Q79 PolarHBondContact O-N 2.94Å; Q79-S83 VanDerWaalsContact O-CB 3.27Å; Q79-S83 WeakPolarHBondContact O-CB 3.42Å; Q79-S83 PolarHBondContact O-N 2.82Å; Q79-S83 PolarHBondContact O-OG 2.93Å |
| 80 | N | 98.7 | Very high | 97.7 | Very high | 87 Ų | 87 | 101 Ų | 101 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 178.4 | -75.7 | -37.2 | 0 | 0 | 0 | 110.4 | S76 E77 E78 L82 S83 E84 | S76-N80 WeakPolarHBondContact O-CB 3.43Å; S76-N80 VanDerWaalsContact O-CG 3.24Å; S76-N80 PolarHBondContact O-N 2.88Å; S76-N80 PolarHBondContact O-ND2 3.26Å; E77-N80 PolarHBondContact O-N 2.91Å; E78-N80 VanDerWaalsContact C-N 3.35Å; E78-N80 PolarHBondContact O-N 3.02Å; N80-L82 PolarHBondContact O-N 2.77Å; N80-S83 PolarHBondContact O-N 3.18Å; N80-E84 WeakPolarHBondContact O-CB 3.31Å; N80-E84 WeakPolarHBondContact O-CG 3.32Å; N80-E84 PolarHBondContact O-N 2.96Å |
| 81 | F | 98.7 | Very high | 97.2 | Very high | 139 Ų | 139 | 96.6 Ų | 96.6 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.7 | -48.7 | 177.8 | 173.7 | -99.8 | 0 | 0 | 0 | 112.2 | E77 E78 S83 E84 A85 | E77-F81 WeakPolarHBondContact O-CB 3.46Å; E77-F81 PolarHBondContact O-N 2.88Å; E78-F81 PolarHBondContact O-N 3.17Å; F81-S83 PolarHBondContact O-N 2.83Å; F81-E84 PolarHBondContact O-N 3.24Å; F81-A85 WeakPolarHBondContact O-CB 3.37Å; F81-A85 PolarHBondContact O-N 3.39Å |
| 82 | L | 98.5 | Very high | 96.7 | Very high | 88 Ų | 88 | 99.2 Ų | 99.2 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 178.4 | -68.4 | 174.4 | 0 | 0 | 0 | 111.8 | E78 N80 A85 L86 | E78-L82 HydrophobicContact CG-CD1 4.07Å; E78-L82 HydrophobicContact CG-CG 4.46Å; E78-L82 WeakPolarHBondContact O-CB 3.4Å; E78-L82 VanDerWaalsContact O-CG 3.31Å; E78-L82 WeakPolarHBondContact O-CG 3.32Å; E78-L82 PolarHBondContact O-N 3.45Å; N80-L82 PolarHBondContact O-N 2.77Å; L82-A85 PolarHBondContact O-N 2.92Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.33Å |
| 83 | S | 98.1 | Very high | 96.2 | Very high | 53 Ų | 53 | 96 Ų | 96 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | Q79 N80 F81 L86 R87 | Q79-S83 VanDerWaalsContact O-CB 3.27Å; Q79-S83 WeakPolarHBondContact O-CB 3.42Å; Q79-S83 PolarHBondContact O-N 2.82Å; Q79-S83 PolarHBondContact O-OG 2.93Å; N80-S83 PolarHBondContact O-N 3.18Å; F81-S83 PolarHBondContact O-N 2.83Å; S83-L86 PolarHBondContact O-N 3.23Å; S83-R87 WeakPolarHBondContact O-CB 3.27Å; S83-R87 PolarHBondContact O-N 2.92Å |
| 84 | E | 98.3 | Very high | 95.4 | Very high | 117 Ų | 117 | 95.9 Ų | 95.9 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175 | -75.4 | -180 | -177.3 | 0 | 0 | 112.1 | N80 F81 L86 R87 A88 | N80-E84 WeakPolarHBondContact O-CB 3.31Å; N80-E84 WeakPolarHBondContact O-CG 3.32Å; N80-E84 PolarHBondContact O-N 2.96Å; F81-E84 PolarHBondContact O-N 3.24Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 3.25Å; E84-R87 PolarHBondContact O-N 2.82Å; E84-A88 WeakPolarHBondContact O-CB 3.48Å; E84-A88 PolarHBondContact O-N 2.93Å |
| 85 | A | 97.5 | Very high | 94.6 | Very high | 48 Ų | 48 | 98.9 Ų | 98.9 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F81 L82 A88 H89 | F81-A85 WeakPolarHBondContact O-CB 3.37Å; F81-A85 PolarHBondContact O-N 3.39Å; L82-A85 PolarHBondContact O-N 2.92Å; A85-A88 PolarHBondContact O-N 3.04Å; A85-H89 WeakPolarHBondContact O-CB 3.37Å; A85-H89 PolarHBondContact O-N 3.37Å |
| 86 | L | 96.2 | Very high | 93.2 | Very high | 124 Ų | 124 | 99.6 Ų | 99.6 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 175.3 | -72.2 | 173 | 0 | 0 | 0 | 111.9 | L82 S83 E84 A88 H89 E90 | L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.33Å; S83-L86 PolarHBondContact O-N 3.23Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 3.25Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.06Å; L86-H89 WeakPolarHBondContact O-CB 3.35Å; L86-H89 PolarHBondContact O-N 3.06Å; L86-H89 VanDerWaalsContact O-N 3.13Å; L86-E90 PolarHBondContact O-N 3.12Å |
| 87 | R | 95.1 | Very high | 91.3 | Very high | 175 Ų | 175 | 102.3 Ų | 102.3 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 177.5 | -170.9 | 179.5 | 67.2 | 158.3 | -1.9 | 112.2 | S83 E84 H89 E90 P91 | S83-R87 WeakPolarHBondContact O-CB 3.27Å; S83-R87 PolarHBondContact O-N 2.92Å; E84-R87 PolarHBondContact O-N 2.82Å; R87-H89 VanDerWaalsContact C-N 3.31Å; R87-E90 WeakPolarHBondContact O-CB 3.5Å; R87-E90 PolarHBondContact O-N 3.05Å; R87-P91 WeakPolarHBondContact O-CD 3.39Å |
| 88 | A | 95.3 | Very high | 89.2 | Confident | 65 Ų | 65 | 100 Ų | 100 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E84 A85 L86 P91 F92 | E84-A88 WeakPolarHBondContact O-CB 3.48Å; E84-A88 PolarHBondContact O-N 2.93Å; A85-A88 PolarHBondContact O-N 3.04Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.06Å; A88-P91 WeakPolarHBondContact O-CD 3.45Å; A88-F92 WeakPolarHBondContact O-CD2 3.47Å; A88-F92 WeakPolarHBondContact O-CE2 3.37Å |
| 89 | H | 94.5 | Very high | 87.1 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.4 | -34 | 175.7 | 173.9 | -91.3 | 0 | 0 | 0 | 113.3 | A85 L86 R87 P91 F92 C93 | A85-H89 WeakPolarHBondContact O-CB 3.37Å; A85-H89 PolarHBondContact O-N 3.37Å; L86-H89 WeakPolarHBondContact O-CB 3.35Å; L86-H89 PolarHBondContact O-N 3.06Å; L86-H89 VanDerWaalsContact O-N 3.13Å; R87-H89 VanDerWaalsContact C-N 3.31Å; H89-P91 VanDerWaalsContact C-CD 3.45Å; H89-F92 PolarHBondContact O-N 3.1Å; H89-C93 VanDerWaalsContact CE1-CB 3.5Å; H89-C93 WeakPolarHBondContact CE1-CB 3.44Å; H89-C93 PolarHBondContact O-N 3.19Å |
| 90 | E | 92 | Very high | 84.8 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -42.5 | -49 | -176.9 | -169.1 | 164.6 | -164.8 | 0 | 0 | 115.4 | L86 R87 F92 C93 | L86-E90 PolarHBondContact O-N 3.12Å; R87-E90 WeakPolarHBondContact O-CB 3.5Å; R87-E90 PolarHBondContact O-N 3.05Å; E90-F92 PolarHBondContact O-N 3.5Å; E90-F92 VanDerWaalsContact O-N 3.16Å; E90-C93 WeakPolarHBondContact O-CB 3.36Å; E90-C93 PolarHBondContact O-N 2.88Å |
| 91 | P | 89.7 | Confident | 82.5 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 49% | 0.494 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -65.7 | -16.1 | 178.6 | 25.8 | -35.9 | 0 | 0 | 0 | 114.8 | R87 A88 H89 H97 | R87-P91 WeakPolarHBondContact O-CD 3.39Å; A88-P91 WeakPolarHBondContact O-CD 3.45Å; H89-P91 VanDerWaalsContact C-CD 3.45Å; P91-H97 VanDerWaalsContact C-NE2 3.32Å; P91-H97 PolarHBondContact O-NE2 2.92Å |
| 92 | F | 88.4 | Confident | 80.3 | Confident | 159 Ų | 159 | 100.6 Ų | 100.6 | 70% | 0.697 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -102.9 | -5.8 | 178.3 | -53.3 | -76.3 | 0 | 0 | 0 | 112.9 | A88 H89 E90 P94 | A88-F92 WeakPolarHBondContact O-CD2 3.47Å; A88-F92 WeakPolarHBondContact O-CE2 3.37Å; H89-F92 PolarHBondContact O-N 3.1Å; E90-F92 PolarHBondContact O-N 3.5Å; E90-F92 VanDerWaalsContact O-N 3.16Å; F92-P94 WeakPolarHBondContact O-CD 3.5Å |
| 93 | C | 88.3 | Confident | 78 | Confident | 18 Ų | 18 | 101.8 Ų | 101.8 | 12% | 0.122 | 57% | 0.568 | C | S | . | * | trans | -72 | 107.9 | -173.1 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | H89 E90 I95 M96 H97 | H89-C93 VanDerWaalsContact CE1-CB 3.5Å; H89-C93 WeakPolarHBondContact CE1-CB 3.44Å; H89-C93 PolarHBondContact O-N 3.19Å; E90-C93 WeakPolarHBondContact O-CB 3.36Å; E90-C93 PolarHBondContact O-N 2.88Å; C93-I95 PolarHBondContact O-N 3.24Å; C93-I95 VanDerWaalsContact O-N 3.15Å; C93-M96 HydrophobicContact CB-CB 4.19Å; C93-M96 HydrophobicContact CB-CG 3.99Å; C93-M96 PolarHBondContact O-N 3.49Å; C93-M96 VanDerWaalsContact O-N 3.13Å; C93-H97 PolarHBondContact O-CD2 3.25Å; C93-H97 PolarHBondContact O-N 3.21Å | ||
| 94 | P | 82.3 | Confident | 75.8 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.1 | -27.1 | -176.2 | -18.5 | 32.7 | 0 | 0 | 0 | 112.2 | F92 H97 C98 | F92-P94 WeakPolarHBondContact O-CD 3.5Å; P94-H97 PolarHBondContact O-N 3.45Å; P94-C98 WeakPolarHBondContact O-CB 3.33Å; P94-C98 PolarHBondContact O-N 3.49Å; P94-C98 PolarHBondContact O-SG 3.4Å |
| 95 | I | 81.9 | Confident | 73.5 | Confident | 130 Ų | 130 | 105.9 Ų | 105.9 | 67% | 0.667 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.3 | -36.7 | 180 | -58 | 172.4 | 0 | 0 | 0 | 111.2 | C93 S99 | C93-I95 PolarHBondContact O-N 3.24Å; C93-I95 VanDerWaalsContact O-N 3.15Å; I95-S99 PolarHBondContact O-OG 2.86Å; I95-S99 VanDerWaalsContact O-OG 3.13Å |
| 96 | M | 68 | Low | 71.5 | Confident | 111 Ų | 111 | 112 Ų | 112 | 55% | 0.547 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.9 | -34.2 | 178.2 | -63.3 | -63.3 | -76.1 | 0 | 0 | 111.7 | C93 | C93-M96 HydrophobicContact CB-CB 4.19Å; C93-M96 HydrophobicContact CB-CG 3.99Å; C93-M96 PolarHBondContact O-N 3.49Å; C93-M96 VanDerWaalsContact O-N 3.13Å |
| 97 | H | 60.7 | Low | 69.2 | Low | 112 Ų | 112 | 112.1 Ų | 112.1 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -81 | -24.6 | 177.7 | -66.7 | -68.5 | 0 | 0 | 0 | 114.1 | P91 C93 P94 | P91-H97 VanDerWaalsContact C-NE2 3.32Å; P91-H97 PolarHBondContact O-NE2 2.92Å; C93-H97 PolarHBondContact O-CD2 3.25Å; C93-H97 PolarHBondContact O-N 3.21Å; P94-H97 PolarHBondContact O-N 3.45Å |
| 98 | C | 53.7 | Low | 67.3 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.6 | -19 | 175.9 | -75 | 0 | 0 | 0 | 0 | 113.8 | P94 F100 | P94-C98 WeakPolarHBondContact O-CB 3.33Å; P94-C98 PolarHBondContact O-N 3.49Å; P94-C98 PolarHBondContact O-SG 3.4Å; C98-F100 VanDerWaalsContact C-N 3.27Å; C98-F100 PolarHBondContact O-N 3.44Å |
| 99 | S | 53.8 | Low | 65.2 | Low | 94 Ų | 94 | 112 Ų | 112 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -15.5 | 179.8 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | I95 | I95-S99 PolarHBondContact O-OG 2.86Å; I95-S99 VanDerWaalsContact O-OG 3.13Å |
| 100 | F | 52 | Low | 63.3 | Low | 182 Ų | 182 | 112 Ų | 112 | 80% | 0.798 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -98.7 | -19 | 179.9 | -141.5 | -97.6 | 0 | 0 | 0 | 114 | C98 S102 | C98-F100 VanDerWaalsContact C-N 3.27Å; C98-F100 PolarHBondContact O-N 3.44Å; F100-S102 VanDerWaalsContact C-N 3.25Å; F100-S102 PolarHBondContact O-N 3.15Å |
| 101 | A | 50.1 | Low | 61 | Low | 74 Ų | 74 | 111.8 Ų | 111.8 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -10.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 102 | S | 51 | Low | 59.2 | Low | 104 Ų | 104 | 119.5 Ų | 119.5 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -6.3 | -178.9 | -160.5 | 0 | 0 | 0 | 0 | 114.4 | F100 | F100-S102 VanDerWaalsContact C-N 3.25Å; F100-S102 PolarHBondContact O-N 3.15Å |
| 103 | S | 51.5 | Low | 57.2 | Low | 113 Ų | 113 | 116.9 Ų | 116.9 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -112.2 | 0.5 | -176.2 | -57.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 104 | S | 51.5 | Low | 55.5 | Low | 91 Ų | 91 | 126.2 Ų | 126.2 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -118.6 | 47.5 | 179.8 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | Q106 | S104-Q106 VanDerWaalsContact C-N 3.31Å; S104-Q106 PolarHBondContact O-N 3.1Å; S104-Q106 VanDerWaalsContact O-N 3.11Å | ||
| 105 | L | 51 | Low | 54.2 | Low | 165 Ų | 165 | 128.2 Ų | 128.2 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -73.7 | 92.7 | 156.5 | -82.1 | 161 | 0 | 0 | 0 | 107.5 | P107 | L105-P107 WeakPolarHBondContact O-CD 3.39Š| ||
| 106 | Q | 53.8 | Low | 52.7 | Low | 175 Ų | 175 | 128.1 Ų | 128.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -59.7 | 126 | 157.5 | -70.5 | -103.6 | -62.1 | 0 | 0 | 108.1 | S104 D108 | S104-Q106 VanDerWaalsContact C-N 3.31Å; S104-Q106 PolarHBondContact O-N 3.1Å; S104-Q106 VanDerWaalsContact O-N 3.11Å; Q106-D108 PolarHBondContact O-N 2.69Å | ||
| 107 | P | 47.8 | Very low | 51.9 | Low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -83.2 | 106.5 | 157.9 | 11 | 6.8 | 0 | 0 | 0 | 107.5 | L105 | L105-P107 WeakPolarHBondContact O-CD 3.39Š| ||
| 108 | D | 56.5 | Low | 51.4 | Low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -73.9 | 158.5 | 160.8 | -154.6 | -13.8 | 0 | 0 | 0 | 109.8 | Q106 | Q106-D108 PolarHBondContact O-N 2.69Š| ||
| 109 | A | 49.8 | Very low | 51.2 | Low | 82 Ų | 82 | 132.4 Ų | 132.4 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | trans | 86.6 | 106 | 162 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 110 | A | 54.6 | Low | 51.1 | Low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | 73 | 107.2 | 118.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 111 | A | 45.3 | Very low | 51 | Low | 98 Ų | 98 | 131.6 Ų | 131.6 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -154.5 | 100 | 136.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 112 | R | 50.5 | Low | 51.1 | Low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | 51.7 | 117.1 | 86.3 | -87.6 | -174.6 | 152.4 | -160.1 | -5.1 | 115.4 | |||||
| 113 | S | 46.7 | Very low | 51.1 | Low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | trans | 103 | 116.2 | 136.1 | -66.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 114 | V | 53.9 | Low | 51 | Low | 215 Ų | 215 | 141.1 Ų | 141.1 | 100% | 1.303 | 84% | 0.839 | S | S | * | * | trans | 68.4 | 0 | 141.7 | -168.9 | 0 | 0 | 0 | 0 | 118.3 |
Retrieved 114 of 114 residues in 17.6 ms
(Link to these results)