| 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 | 43.6 | Very low | 47.1 | Very low | 241 Ų | 241 | 163.4 Ų | 163.4 | 100% | 1.187 | 84% | 0.836 | S | S | * | * | 0 | 104.6 | 0 | -89.2 | 165.9 | 169 | 0 | 0 | 105.9 | |||||
| 2 | F | 41.4 | Very low | 47.3 | Very low | 185 Ų | 185 | 163.2 Ų | 163.2 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -91.4 | 135.2 | 175 | -66.7 | -95.7 | 0 | 0 | 0 | 106.2 | ||||
| 3 | D | 51.1 | Low | 47.2 | Very low | 153 Ų | 153 | 159.8 Ų | 159.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -143.9 | 94.4 | 156 | -80.3 | -48.1 | 0 | 0 | 0 | 107.7 | ||||
| 4 | D | 46.9 | Very low | 47.2 | Very low | 122 Ų | 122 | 160.1 Ų | 160.1 | 65% | 0.652 | 83% | 0.83 | S | S | * | * | trans | -69.7 | 133.2 | 162.9 | -68.7 | -45.6 | 0 | 0 | 0 | 109 | ||||
| 5 | Y | 55.8 | Low | 47.1 | Very low | 210 Ų | 210 | 157.1 Ų | 157.1 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -134.2 | 92.5 | 154.5 | -92.9 | -84.3 | 0 | 0 | 0 | 109.5 | ||||
| 6 | Y | 46.1 | Very low | 47.5 | Very low | 205 Ų | 205 | 155.3 Ų | 155.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 123.2 | 157.4 | -78.1 | -90.5 | 0 | 0 | 0 | 108.8 | ||||
| 7 | L | 53.7 | Low | 48 | Very low | 165 Ų | 165 | 151 Ų | 151 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -127.9 | 109.9 | 156.9 | -89 | 167.4 | 0 | 0 | 0 | 109.1 | ||||
| 8 | L | 45.1 | Very low | 48.4 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -62.1 | 129.6 | 169.8 | -70.3 | 157.2 | 0 | 0 | 0 | 109.7 | ||||
| 9 | G | 42.5 | Very low | 48.7 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -144.1 | 99.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 10 | N | 47.2 | Very low | 49.1 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 33.2 | 118.3 | 160.5 | -82.7 | -29.2 | 0 | 0 | 0 | 120.9 | N12 | N10-N12 PolarHBondContact O-N 3.42Š| ||
| 11 | P | 44.9 | Very low | 49.3 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -86.7 | 90.7 | 170.5 | 34.6 | -26.6 | 0 | 0 | 0 | 109.2 | ||
| 12 | N | 48.9 | Very low | 49.8 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 72% | 0.716 | S | S | * | * | trans | -164.6 | 14.5 | 165.1 | -90.6 | -33.7 | 0 | 0 | 0 | 115.1 | N10 | N10-N12 PolarHBondContact O-N 3.42Š| ||
| 13 | V | 46.4 | Very low | 50.5 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -119.9 | 97.3 | 171.9 | -171.7 | 0 | 0 | 0 | 0 | 107 | D15 | V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.09Å; V13-D15 VanDerWaalsContact O-N 3.11Å | ||
| 14 | I | 47.7 | Very low | 50.7 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | trans | -77.1 | 94.4 | 168.5 | -58.7 | 173.4 | 0 | 0 | 0 | 104.8 | D16 | I14-D16 PolarHBondContact O-N 2.79Š| ||
| 15 | D | 45.4 | Very low | 51.1 | Low | 116 Ų | 116 | 129.5 Ų | 129.5 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | trans | -64 | 113.3 | 169.6 | -84.1 | -28.8 | 0 | 0 | 0 | 108.6 | V13 S17 L18 | V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.09Å; V13-D15 VanDerWaalsContact O-N 3.11Å; D15-S17 PolarHBondContact O-N 3.15Å; D15-L18 PolarHBondContact O-N 3.06Å | ||
| 16 | D | 53 | Low | 50.9 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 68% | 0.684 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -8.2 | 172.4 | -104.6 | -22.9 | 0 | 0 | 0 | 113.4 | I14 L18 L19 | I14-D16 PolarHBondContact O-N 2.79Å; D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 3.22Å; D16-L19 PolarHBondContact O-N 3.32Å |
| 17 | S | 57.1 | Low | 51.2 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.1 | -29 | 175.8 | -164.4 | 0 | 0 | 0 | 0 | 113.2 | D15 L19 A20 D21 | D15-S17 PolarHBondContact O-N 3.15Å; S17-L19 VanDerWaalsContact C-N 3.28Å; S17-L19 PolarHBondContact O-N 2.92Å; S17-A20 PolarHBondContact O-N 2.82Å; S17-D21 PolarHBondContact O-N 2.86Å |
| 18 | L | 54.7 | Low | 51.2 | Low | 125 Ų | 125 | 115.1 Ų | 115.1 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.8 | -16.6 | -179.1 | -125.4 | 153.6 | 0 | 0 | 0 | 112.6 | D15 D16 K22 | D15-L18 PolarHBondContact O-N 3.06Å; D16-L18 VanDerWaalsContact C-N 3.3Å; D16-L18 PolarHBondContact O-N 3.22Å; L18-K22 PolarHBondContact O-N 2.95Å |
| 19 | L | 54.2 | Low | 51.6 | Low | 99 Ų | 99 | 113.6 Ų | 113.6 | 52% | 0.518 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -81.9 | -32.3 | 174.3 | -167.5 | 62 | 0 | 0 | 0 | 111.4 | D16 S17 D21 K22 I23 | D16-L19 PolarHBondContact O-N 3.32Å; S17-L19 VanDerWaalsContact C-N 3.28Å; S17-L19 PolarHBondContact O-N 2.92Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.01Å; L19-K22 PolarHBondContact O-N 2.85Å; L19-I23 HydrophobicContact CG-CD1 4.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.38Å; L19-I23 WeakPolarHBondContact O-CG1 3.41Å; L19-I23 PolarHBondContact O-N 2.64Å |
| 20 | A | 56 | Low | 52 | Low | 54 Ų | 54 | 120.3 Ų | 120.3 | 45% | 0.446 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.1 | -34.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | S17 K24 | S17-A20 PolarHBondContact O-N 2.82Å; A20-K24 PolarHBondContact O-N 2.75Å |
| 21 | D | 54.2 | Low | 52.3 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 54% | 0.54 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.9 | -30.1 | 177.9 | -73 | -17.6 | 0 | 0 | 0 | 112.9 | S17 L19 K24 L25 | S17-D21 PolarHBondContact O-N 2.86Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.01Å; D21-K24 PolarHBondContact O-N 3.27Å; D21-L25 PolarHBondContact O-N 3.24Å; D21-L25 VanDerWaalsContact O-N 3.09Å |
| 22 | K | 54.3 | Low | 52.6 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 56% | 0.561 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70 | -37.1 | 170.5 | -78 | -172.8 | 176.5 | -170.7 | 0 | 112.6 | L18 L19 K24 L25 D26 | L18-K22 PolarHBondContact O-N 2.95Å; L19-K22 PolarHBondContact O-N 2.85Å; K22-K24 VanDerWaalsContact C-N 3.28Å; K22-K24 PolarHBondContact O-N 3.01Å; K22-L25 PolarHBondContact O-N 3.08Å; K22-D26 PolarHBondContact O-N 3.27Å; K22-D26 VanDerWaalsContact O-N 3.15Å |
| 23 | I | 55.5 | Low | 52.7 | Low | 105 Ų | 105 | 122.4 Ų | 122.4 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.6 | -29.4 | 176.6 | -65.6 | 163.8 | 0 | 0 | 0 | 111.4 | L19 T27 | L19-I23 HydrophobicContact CG-CD1 4.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.38Å; L19-I23 WeakPolarHBondContact O-CG1 3.41Å; L19-I23 PolarHBondContact O-N 2.64Å; I23-T27 PolarHBondContact O-OG1 2.89Å |
| 24 | K | 55.8 | Low | 52.9 | Low | 138 Ų | 138 | 124.6 Ų | 124.6 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.8 | -34.3 | 170.7 | -85.9 | 179.1 | 177 | 175.6 | 0 | 113.2 | A20 D21 K22 D26 T27 I28 | A20-K24 PolarHBondContact O-N 2.75Å; D21-K24 PolarHBondContact O-N 3.27Å; K22-K24 VanDerWaalsContact C-N 3.28Å; K22-K24 PolarHBondContact O-N 3.01Å; K24-D26 VanDerWaalsContact C-N 3.34Å; K24-T27 PolarHBondContact O-OG1 2.84Å; K24-T27 VanDerWaalsContact O-OG1 3.09Å; K24-I28 WeakPolarHBondContact O-CD1 3.06Å; K24-I28 WeakPolarHBondContact O-CG1 3.22Å; K24-I28 PolarHBondContact O-N 2.81Å; K24-I28 VanDerWaalsContact O-N 3.17Å |
| 25 | L | 53.9 | Low | 53.2 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.9 | -34 | 179.1 | -166.5 | 61.5 | 0 | 0 | 0 | 112.1 | D21 K22 I28 Q29 | D21-L25 PolarHBondContact O-N 3.24Å; D21-L25 VanDerWaalsContact O-N 3.09Å; K22-L25 PolarHBondContact O-N 3.08Å; L25-I28 PolarHBondContact O-N 2.89Å; L25-Q29 PolarHBondContact O-N 2.95Å |
| 26 | D | 52.5 | Low | 53.5 | Low | 110 Ų | 110 | 123.2 Ų | 123.2 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.1 | -27.7 | 179.2 | -67.7 | -13.1 | 0 | 0 | 0 | 112.9 | K22 K24 | K22-D26 PolarHBondContact O-N 3.27Å; K22-D26 VanDerWaalsContact O-N 3.15Å; K24-D26 VanDerWaalsContact C-N 3.34Å |
| 27 | T | 52 | Low | 53.5 | Low | 86 Ų | 86 | 125 Ų | 125 | 53% | 0.528 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.6 | -31.1 | 171.1 | 40.1 | 0 | 0 | 0 | 0 | 112.8 | I23 K24 Q29 R30 | I23-T27 PolarHBondContact O-OG1 2.89Å; K24-T27 PolarHBondContact O-OG1 2.84Å; K24-T27 VanDerWaalsContact O-OG1 3.09Å; T27-Q29 PolarHBondContact O-N 3.2Å; T27-R30 PolarHBondContact O-N 3.08Å |
| 28 | I | 54.4 | Low | 53 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 42% | 0.421 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -23.4 | 173.1 | -67.2 | 162.3 | 0 | 0 | 0 | 111.7 | K24 L25 R30 D31 R32 | K24-I28 WeakPolarHBondContact O-CD1 3.06Å; K24-I28 WeakPolarHBondContact O-CG1 3.22Å; K24-I28 PolarHBondContact O-N 2.81Å; K24-I28 VanDerWaalsContact O-N 3.17Å; L25-I28 PolarHBondContact O-N 2.89Å; I28-R30 VanDerWaalsContact C-N 3.25Å; I28-R30 PolarHBondContact O-N 2.96Å; I28-D31 PolarHBondContact O-N 2.94Å; I28-R32 PolarHBondContact O-N 3.25Å |
| 29 | Q | 53.1 | Low | 53 | Low | 144 Ų | 144 | 123.8 Ų | 123.8 | 67% | 0.673 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.8 | -18.2 | 178.8 | -121.3 | -175.2 | -80.4 | 0 | 0 | 114 | L25 T27 | L25-Q29 PolarHBondContact O-N 2.95Å; T27-Q29 PolarHBondContact O-N 3.2Å |
| 30 | R | 51 | Low | 52.8 | Low | 214 Ų | 214 | 125.8 Ų | 125.8 | 81% | 0.808 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.2 | -25.3 | 171.9 | -81.1 | -88.4 | -171.9 | 160.4 | -0.6 | 112.7 | T27 I28 | T27-R30 PolarHBondContact O-N 3.08Å; I28-R30 VanDerWaalsContact C-N 3.25Å; I28-R30 PolarHBondContact O-N 2.96Å |
| 31 | D | 52.6 | Low | 52.8 | Low | 111 Ų | 111 | 134.1 Ų | 134.1 | 59% | 0.594 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87.8 | -10.3 | -178.9 | -61.6 | -19.8 | 0 | 0 | 0 | 113 | I28 E33 H34 | I28-D31 PolarHBondContact O-N 2.94Å; D31-E33 VanDerWaalsContact C-N 3.25Å; D31-E33 PolarHBondContact O-N 2.83Å; D31-H34 PolarHBondContact O-CD2 3.14Å |
| 32 | R | 51.9 | Low | 52.9 | Low | 204 Ų | 204 | 131 Ų | 131 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -5.7 | 175.2 | -106.8 | -175.4 | 166.1 | 133.9 | -1.5 | 114.6 | I28 H34 | I28-R32 PolarHBondContact O-N 3.25Å; R32-H34 VanDerWaalsContact C-N 3.27Å |
| 33 | E | 51 | Low | 53.1 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 24.8 | 171 | -68 | -174.4 | 176.7 | 0 | 0 | 112.7 | D31 L35 | D31-E33 VanDerWaalsContact C-N 3.25Å; D31-E33 PolarHBondContact O-N 2.83Å; E33-L35 PolarHBondContact O-N 2.84Å |
| 34 | H | 50.5 | Low | 53.3 | Low | 165 Ų | 165 | 129.9 Ų | 129.9 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | trans | -64.4 | 79.4 | 154.2 | -88.4 | -66.8 | 0 | 0 | 0 | 108.3 | D31 R32 P36 | D31-H34 PolarHBondContact O-CD2 3.14Å; R32-H34 VanDerWaalsContact C-N 3.27Å; H34-P36 VanDerWaalsContact O-CD 3.29Å; H34-P36 WeakPolarHBondContact O-CD 3.37Å | ||
| 35 | L | 54 | Low | 53.4 | Low | 142 Ų | 142 | 129.2 Ų | 129.2 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | -57.3 | 118.9 | 156.5 | -91.1 | 85.5 | 0 | 0 | 0 | 104.8 | E33 Q37 | E33-L35 PolarHBondContact O-N 2.84Å; L35-Q37 PolarHBondContact O-N 2.84Å | ||
| 36 | P | 52.5 | Low | 53.6 | Low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 64% | 0.638 | S | S | * | * | trans | -53.9 | 124.6 | 164.1 | 24.5 | -30.3 | 0 | 0 | 0 | 104.9 | H34 S38 | H34-P36 VanDerWaalsContact O-CD 3.29Å; H34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-S38 PolarHBondContact O-N 2.84Å | ||
| 37 | Q | 51.6 | Low | 53.8 | Low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 65% | 0.65 | S | S | * | * | trans | -56.8 | 96.7 | 163.8 | -72.1 | -175.8 | -50.2 | 0 | 0 | 104.7 | L35 N39 | L35-Q37 PolarHBondContact O-N 2.84Å; Q37-N39 PolarHBondContact O-N 2.82Å | ||
| 38 | S | 47.4 | Very low | 53.9 | Low | 88 Ų | 88 | 133.7 Ų | 133.7 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | trans | -71.1 | 107.5 | 177.4 | 56.6 | 0 | 0 | 0 | 0 | 104.6 | P36 L40 | P36-S38 PolarHBondContact O-N 2.84Å; S38-L40 PolarHBondContact O-N 3.16Å | ||
| 39 | N | 54.9 | Low | 53.8 | Low | 94 Ų | 94 | 132 Ų | 132 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | trans | -64.8 | 24.6 | 165.7 | -67.9 | -8.4 | 0 | 0 | 0 | 111.9 | Q37 W41 M89 | Q37-N39 PolarHBondContact O-N 2.82Å; N39-W41 VanDerWaalsContact C-N 3.31Å; N39-W41 PolarHBondContact O-N 3.3Å; N39-W41 VanDerWaalsContact O-N 3.16Å; N39-M89 WeakPolarHBondContact ND2-CE 3.38Å | ||
| 40 | L | 50.1 | Low | 53.8 | Low | 141 Ų | 141 | 130.1 Ų | 130.1 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | trans | -91.2 | 75.1 | -179.4 | -153.5 | 74.5 | 0 | 0 | 0 | 107.5 | S38 G42 | S38-L40 PolarHBondContact O-N 3.16Å; L40-G42 PolarHBondContact O-N 3.36Å | ||
| 41 | W | 55.2 | Low | 53.8 | Low | 229 Ų | 229 | 122.2 Ų | 122.2 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | trans | -49 | 111.1 | 161 | -80.1 | -67.6 | 0 | 0 | 0 | 108.3 | N39 | N39-W41 VanDerWaalsContact C-N 3.31Å; N39-W41 PolarHBondContact O-N 3.3Å; N39-W41 VanDerWaalsContact O-N 3.16Å | ||
| 42 | G | 56.2 | Low | 53.8 | Low | 35 Ų | 35 | 126.3 Ų | 126.3 | 36% | 0.361 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -175.1 | 157 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111 | L40 I44 | L40-G42 PolarHBondContact O-N 3.36Å; G42-I44 PolarHBondContact O-N 2.94Å |
| 43 | H | 58.2 | Low | 54.2 | Low | 121 Ų | 121 | 119.7 Ų | 119.7 | 56% | 0.56 | 67% | 0.673 | S | S | * | * | trans | -70.8 | 118.9 | 172.4 | 41.7 | -93.6 | 0 | 0 | 0 | 108.7 | F45 V69 | H43-F45 AromaticContact CD2-CD2 3.41Å; H43-F45 VanDerWaalsContact CD2-CD2 3.41Å; H43-F45 WeakPolarHBondContact CD2-CD2 3.45Å; H43-F45 AromaticContact CD2-CE2 2.9Å; H43-F45 WeakPolarHBondContact CD2-CE2 3.42Å; H43-F45 AromaticContact CD2-CZ 3.33Å; H43-F45 WeakPolarHBondContact CD2-CZ 3.39Å; H43-F45 AromaticContact CG-CE2 3.95Å; H43-F45 AromaticContact CG-CZ 3.96Å; H43-F45 AromaticContact NE2-CE2 3.23Å; H43-F45 WeakPolarHBondContact NE2-CE2 3.44Å; H43-F45 AromaticContact NE2-CZ 3.79Å; H43-F45 PolarHBondContact O-N 3.41Å; H43-V69 HydrophobicContact CB-CG1 4.26Å | ||
| 44 | I | 60.8 | Low | 54.8 | Low | 89 Ų | 89 | 120.8 Ų | 120.8 | 46% | 0.456 | 68% | 0.675 | S | S | . | * | B | Isolated β-bridge | trans | -82.4 | 100.3 | 169.6 | -59.8 | 176 | 0 | 0 | 0 | 107.5 | G42 M46 D72 | G42-I44 PolarHBondContact O-N 2.94Å; I44-M46 HydrophobicContact CG2-CG 4.32Å; I44-M46 PolarHBondContact O-N 2.96Å; I44-M46 VanDerWaalsContact O-N 3.08Å; I44-D72 VanDerWaalsContact CD1-OD2 3.3Å; I44-D72 WeakPolarHBondContact CD1-OD2 3.45Å; I44-D72 WeakPolarHBondContact CG1-OD2 3.1Å |
| 45 | F | 57.4 | Low | 55.5 | Low | 124 Ų | 124 | 116 Ų | 116 | 54% | 0.544 | 65% | 0.653 | S | S | . | * | trans | -70.7 | 101.9 | 167 | -66.2 | -62.6 | 0 | 0 | 0 | 108.7 | H43 Q47 V69 | H43-F45 AromaticContact CD2-CD2 3.41Å; H43-F45 VanDerWaalsContact CD2-CD2 3.41Å; H43-F45 WeakPolarHBondContact CD2-CD2 3.45Å; H43-F45 AromaticContact CD2-CE2 2.9Å; H43-F45 WeakPolarHBondContact CD2-CE2 3.42Å; H43-F45 AromaticContact CD2-CZ 3.33Å; H43-F45 WeakPolarHBondContact CD2-CZ 3.39Å; H43-F45 AromaticContact CG-CE2 3.95Å; H43-F45 AromaticContact CG-CZ 3.96Å; H43-F45 AromaticContact NE2-CE2 3.23Å; H43-F45 WeakPolarHBondContact NE2-CE2 3.44Å; H43-F45 AromaticContact NE2-CZ 3.79Å; H43-F45 PolarHBondContact O-N 3.41Å; F45-Q47 VanDerWaalsContact C-N 3.32Å; F45-Q47 PolarHBondContact O-N 3.46Å; F45-V69 HydrophobicContact CD1-CG1 4.38Å; F45-V69 HydrophobicContact CD1-CG2 3.98Å; F45-V69 HydrophobicContact CE1-CG1 4.24Å; F45-V69 HydrophobicContact CE1-CG2 3.85Å | ||
| 46 | M | 58.4 | Low | 56 | Low | 131 Ų | 131 | 114.7 Ų | 114.7 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | trans | -73.3 | 89.2 | 169 | -67.7 | -167.9 | 72.7 | 0 | 0 | 109.3 | I44 K70 | I44-M46 HydrophobicContact CG2-CG 4.32Å; I44-M46 PolarHBondContact O-N 2.96Å; I44-M46 VanDerWaalsContact O-N 3.08Å; M46-K70 HydrophobicContact SD-CD 3.79Å | ||
| 47 | Q | 56.7 | Low | 56.8 | Low | 181 Ų | 181 | 114.8 Ų | 114.8 | 85% | 0.846 | 63% | 0.633 | S | S | * | * | trans | -111.4 | 86.7 | 173.9 | -160.5 | 160.5 | 18.1 | 0 | 0 | 108.2 | F45 | F45-Q47 VanDerWaalsContact C-N 3.32Å; F45-Q47 PolarHBondContact O-N 3.46Å | ||
| 48 | G | 55.2 | Low | 57.4 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 84% | 0.835 | 62% | 0.615 | S | S | * | * | trans | 178.2 | 65.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 49 | G | 51.9 | Low | 58.4 | Low | 47 Ų | 47 | 113.3 Ų | 113.3 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -152.2 | 110.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G51 Q55 | G49-G51 WeakPolarHBondContact O-CA 3.14Å; G49-G51 PolarHBondContact O-N 2.83Å; G49-Q55 PolarHBondContact O-NE2 2.87Å |
| 50 | A | 53.3 | Low | 59.1 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 87% | 0.868 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 41.8 | 36.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q55 | A50-Q55 PolarHBondContact O-NE2 3.04Š|
| 51 | G | 50.9 | Low | 59.9 | Low | 48 Ų | 48 | 107.4 Ų | 107.4 | 50% | 0.495 | 61% | 0.614 | S | S | . | * | trans | -104.5 | 65.2 | -152.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | G49 | G49-G51 WeakPolarHBondContact O-CA 3.14Å; G49-G51 PolarHBondContact O-N 2.83Å | ||
| 52 | E | 52 | Low | 60.6 | Low | 196 Ų | 196 | 103.7 Ų | 103.7 | 92% | 0.916 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -116.8 | 110.9 | 150.8 | -67.3 | -169.1 | -166.7 | 0 | 0 | 109.1 | ||
| 53 | G | 59.8 | Low | 61 | Low | 65 Ų | 65 | 107.2 Ų | 107.2 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 118.7 | 166.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q55 | G53-Q55 PolarHBondContact O-N 2.93Š|
| 54 | K | 64.1 | Low | 61.4 | Low | 180 Ų | 180 | 105.5 Ų | 105.5 | 78% | 0.783 | 62% | 0.621 | S | S | * | * | trans | -62.3 | 99.3 | 174.1 | -68.4 | 178.4 | -178.8 | 176.6 | 0 | 108.8 | Y56 | K54-Y56 HydrophobicContact CB-CE2 4.08Å; K54-Y56 WeakPolarHBondContact O-CD2 3.47Å; K54-Y56 WeakPolarHBondContact O-CE2 3.33Å | ||
| 55 | Q | 64.9 | Low | 61.5 | Low | 64 Ų | 64 | 104.9 Ų | 104.9 | 30% | 0.299 | 62% | 0.618 | S | S | . | * | trans | -78.7 | 141.3 | 174.4 | -69.3 | -176.5 | -14.9 | 0 | 0 | 110 | G49 A50 G53 N65 | G49-Q55 PolarHBondContact O-NE2 2.87Å; A50-Q55 PolarHBondContact O-NE2 3.04Å; G53-Q55 PolarHBondContact O-N 2.93Å; Q55-N65 HydrophobicContact CB-CB 3.85Å; Q55-N65 WeakPolarHBondContact O-CB 3.33Å; Q55-N65 PolarHBondContact O-N 2.96Å; Q55-N65 PolarHBondContact OE1-ND2 2.87Å | ||
| 56 | Y | 65.6 | Low | 61.9 | Low | 115 Ų | 115 | 105.7 Ų | 105.7 | 45% | 0.451 | 62% | 0.621 | S | S | . | * | B | Isolated β-bridge | trans | -118.2 | 135.2 | 174.3 | -61.8 | -85.4 | 0 | 0 | 0 | 108.8 | K54 L58 G61 M63 | K54-Y56 HydrophobicContact CB-CE2 4.08Å; K54-Y56 WeakPolarHBondContact O-CD2 3.47Å; K54-Y56 WeakPolarHBondContact O-CE2 3.33Å; Y56-L58 PolarHBondContact O-N 2.91Å; Y56-G61 WeakPolarHBondContact CD1-O 3.23Å; Y56-G61 VanDerWaalsContact CE1-O 3.22Å; Y56-G61 WeakPolarHBondContact CE1-O 2.9Å; Y56-M63 CarbonylContact C-O 3.41Å; Y56-M63 WeakPolarHBondContact CA-O 3.41Å; Y56-M63 WeakPolarHBondContact CB-O 3.39Å |
| 57 | L | 67.8 | Low | 62.2 | Low | 112 Ų | 112 | 105.4 Ų | 105.4 | 59% | 0.586 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -66.7 | -23.5 | -178 | -94.8 | 68.7 | 0 | 0 | 0 | 112.8 | M63 N65 | L57-M63 HydrophobicContact CB-CB 4.41Å; L57-M63 PolarHBondContact N-O 3.34Å; L57-N65 HydrophobicContact CD1-CB 3.86Å |
| 58 | L | 65.7 | Low | 62.4 | Low | 75 Ų | 75 | 102.5 Ų | 102.5 | 39% | 0.393 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -115.1 | 149 | 178.2 | -73.2 | 94.7 | 0 | 0 | 0 | 111 | Y56 S60 G61 M63 | Y56-L58 PolarHBondContact O-N 2.91Å; L58-S60 PolarHBondContact O-N 2.91Å; L58-G61 PolarHBondContact O-N 3.01Å; L58-G61 VanDerWaalsContact O-N 3.09Å; L58-M63 HydrophobicContact CD1-CB 3.79Å; L58-M63 HydrophobicContact CD1-CG 3.74Å; L58-M63 HydrophobicContact CD1-SD 3.45Å; L58-M63 WeakPolarHBondContact CD1-SD 3.32Å |
| 59 | P | 67.2 | Low | 62.6 | Low | 146 Ų | 146 | 101.5 Ų | 101.5 | 95% | 0.948 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -24.2 | 172.5 | -23.2 | 32.3 | 0 | 0 | 0 | 113.8 | G61 | P59-G61 VanDerWaalsContact C-N 3.28Å; P59-G61 PolarHBondContact O-N 2.96Å |
| 60 | S | 69.5 | Low | 63 | Low | 79 Ų | 79 | 105.4 Ų | 105.4 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -2.8 | -179.6 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | L58 L62 | L58-S60 PolarHBondContact O-N 2.91Å; S60-L62 PolarHBondContact O-N 2.9Å; S60-L62 VanDerWaalsContact O-N 3.15Å |
| 61 | G | 68.3 | Low | 63.2 | Low | 32 Ų | 32 | 104.8 Ų | 104.8 | 33% | 0.33 | 58% | 0.58 | S | S | . | * | S | Bend | trans | 69.1 | 9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y56 L58 P59 | Y56-G61 WeakPolarHBondContact CD1-O 3.23Å; Y56-G61 VanDerWaalsContact CE1-O 3.22Å; Y56-G61 WeakPolarHBondContact CE1-O 2.9Å; L58-G61 PolarHBondContact O-N 3.01Å; L58-G61 VanDerWaalsContact O-N 3.09Å; P59-G61 VanDerWaalsContact C-N 3.28Å; P59-G61 PolarHBondContact O-N 2.96Å |
| 62 | L | 68.5 | Low | 63.4 | Low | 152 Ų | 152 | 106.2 Ų | 106.2 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | trans | -82.9 | -18.6 | -171.1 | -136.9 | 80.5 | 0 | 0 | 0 | 114 | S60 | S60-L62 PolarHBondContact O-N 2.9Å; S60-L62 VanDerWaalsContact O-N 3.15Å | ||
| 63 | M | 64.1 | Low | 63.5 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 53% | 0.532 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -126.7 | 112.9 | -178.2 | -66.3 | -172.4 | 67.9 | 0 | 0 | 109.8 | Y56 L57 L58 | Y56-M63 CarbonylContact C-O 3.41Å; Y56-M63 WeakPolarHBondContact CA-O 3.41Å; Y56-M63 WeakPolarHBondContact CB-O 3.39Å; L57-M63 HydrophobicContact CB-CB 4.41Å; L57-M63 PolarHBondContact N-O 3.34Å; L58-M63 HydrophobicContact CD1-CB 3.79Å; L58-M63 HydrophobicContact CD1-CG 3.74Å; L58-M63 HydrophobicContact CD1-SD 3.45Å; L58-M63 WeakPolarHBondContact CD1-SD 3.32Å |
| 64 | S | 66.9 | Low | 63.3 | Low | 86 Ų | 86 | 102.5 Ų | 102.5 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | B | Isolated β-bridge | trans | -66.3 | 146.8 | 174.1 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | K66 | S64-K66 PolarHBondContact O-N 2.91Å |
| 65 | N | 64.2 | Low | 63 | Low | 75 Ų | 75 | 100.8 Ų | 100.8 | 40% | 0.401 | 56% | 0.559 | S | S | . | * | trans | -60.6 | 119.9 | 170.2 | -161.3 | -21.6 | 0 | 0 | 0 | 109.8 | Q55 L57 V67 | Q55-N65 HydrophobicContact CB-CB 3.85Å; Q55-N65 WeakPolarHBondContact O-CB 3.33Å; Q55-N65 PolarHBondContact O-N 2.96Å; Q55-N65 PolarHBondContact OE1-ND2 2.87Å; L57-N65 HydrophobicContact CD1-CB 3.86Å; N65-V67 PolarHBondContact O-N 3.29Å | ||
| 66 | K | 65.4 | Low | 62.5 | Low | 142 Ų | 142 | 101.2 Ų | 101.2 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | trans | -73.3 | 111.7 | 174.8 | -175.6 | -177.3 | 168.5 | -148.8 | 0 | 106 | S64 E68 | S64-K66 PolarHBondContact O-N 2.91Å; K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 HydrophobicContact CB-CG 4.4Å; K66-E68 HydrophobicContact CD-CG 4Å; K66-E68 HydrophobicContact CG-CG 3.96Å; K66-E68 IonicContact NZ-OE1 2.77Å; K66-E68 PolarHBondContact NZ-OE1 2.86Å; K66-E68 PolarHBondContact O-N 3.36Å | ||
| 67 | V | 63.8 | Low | 61.8 | Low | 124 Ų | 124 | 98.7 Ų | 98.7 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | trans | -65.3 | 95 | 170.1 | 179.6 | 0 | 0 | 0 | 0 | 106.6 | N65 V69 | N65-V67 PolarHBondContact O-N 3.29Å; V67-V69 HydrophobicContact CG1-CG2 4.34Å; V67-V69 PolarHBondContact O-N 2.78Å | ||
| 68 | E | 61.8 | Low | 61.3 | Low | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | trans | -82.6 | 100.7 | 173.4 | -65.5 | -164.1 | 154.6 | 0 | 0 | 107.6 | K66 K70 | K66-E68 VanDerWaalsContact C-N 3.26Å; K66-E68 HydrophobicContact CB-CG 4.4Å; K66-E68 HydrophobicContact CD-CG 4Å; K66-E68 HydrophobicContact CG-CG 3.96Å; K66-E68 IonicContact NZ-OE1 2.77Å; K66-E68 PolarHBondContact NZ-OE1 2.86Å; K66-E68 PolarHBondContact O-N 3.36Å; E68-K70 PolarHBondContact O-N 3.48Å; E68-K70 VanDerWaalsContact O-N 3.14Å | ||
| 69 | V | 59.2 | Low | 61.4 | Low | 60 Ų | 60 | 100.5 Ų | 100.5 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | trans | -71.6 | 103 | 164.3 | -178.3 | 0 | 0 | 0 | 0 | 105.7 | H43 F45 V67 T71 | H43-V69 HydrophobicContact CB-CG1 4.26Å; F45-V69 HydrophobicContact CD1-CG1 4.38Å; F45-V69 HydrophobicContact CD1-CG2 3.98Å; F45-V69 HydrophobicContact CE1-CG1 4.24Å; F45-V69 HydrophobicContact CE1-CG2 3.85Å; V67-V69 HydrophobicContact CG1-CG2 4.34Å; V67-V69 PolarHBondContact O-N 2.78Å; V69-T71 HydrophobicContact CG1-CG2 4.29Å; V69-T71 PolarHBondContact O-N 2.98Å | ||
| 70 | K | 61 | Low | 61.5 | Low | 129 Ų | 129 | 98.3 Ų | 98.3 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | B | Isolated β-bridge | trans | -66.2 | 96.7 | 162.2 | -76 | -175.5 | 179.9 | 177.2 | 0 | 105.6 | M46 E68 D72 | M46-K70 HydrophobicContact SD-CD 3.79Å; E68-K70 PolarHBondContact O-N 3.48Å; E68-K70 VanDerWaalsContact O-N 3.14Å; K70-D72 PolarHBondContact O-N 3.29Å |
| 71 | T | 56 | Low | 61.3 | Low | 93 Ų | 93 | 97.2 Ų | 97.2 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | trans | -64.1 | 127.2 | 165.5 | 52.2 | 0 | 0 | 0 | 0 | 105.8 | V69 A73 | V69-T71 HydrophobicContact CG1-CG2 4.29Å; V69-T71 PolarHBondContact O-N 2.98Å; T71-A73 PolarHBondContact O-N 3Å; T71-A73 WeakPolarHBondContact OG1-CB 3.36Å | ||
| 72 | D | 56.5 | Low | 61.2 | Low | 77 Ų | 77 | 98.4 Ų | 98.4 | 41% | 0.412 | 55% | 0.549 | S | S | . | . | trans | -68.9 | 32.4 | 161.1 | -68.4 | -15.9 | 0 | 0 | 0 | 110.5 | I44 K70 V74 | I44-D72 VanDerWaalsContact CD1-OD2 3.3Å; I44-D72 WeakPolarHBondContact CD1-OD2 3.45Å; I44-D72 WeakPolarHBondContact CG1-OD2 3.1Å; K70-D72 PolarHBondContact O-N 3.29Å; D72-V74 VanDerWaalsContact C-N 3.31Å; D72-V74 PolarHBondContact O-N 3.02Å | ||
| 73 | A | 54.2 | Low | 61.5 | Low | 71 Ų | 71 | 97 Ų | 97 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | trans | -66.9 | 97.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | T71 L75 | T71-A73 PolarHBondContact O-N 3Å; T71-A73 WeakPolarHBondContact OG1-CB 3.36Å; A73-L75 PolarHBondContact O-N 3.16Å | ||
| 74 | V | 55.6 | Low | 62.2 | Low | 112 Ų | 112 | 93.4 Ų | 93.4 | 68% | 0.679 | 53% | 0.527 | S | S | * | . | trans | 32.6 | 80.3 | 168.8 | -167.1 | 0 | 0 | 0 | 0 | 111.2 | D72 P76 A77 | D72-V74 VanDerWaalsContact C-N 3.31Å; D72-V74 PolarHBondContact O-N 3.02Å; V74-P76 VanDerWaalsContact O-N 3.09Å; V74-A77 HydrophobicContact CG1-CB 4.37Å | ||
| 75 | L | 55.9 | Low | 62.7 | Low | 144 Ų | 144 | 90.5 Ų | 90.5 | 75% | 0.754 | 51% | 0.506 | S | S | * | . | trans | -43.2 | 126.1 | 148.8 | -79 | 168.3 | 0 | 0 | 0 | 105.2 | A73 A77 | A73-L75 PolarHBondContact O-N 3.16Å; L75-A77 WeakPolarHBondContact O-CA 3.47Å; L75-A77 PolarHBondContact O-N 2.97Å | ||
| 76 | P | 55.1 | Low | 63.3 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -44.7 | 119 | -168.8 | -28.3 | 32 | 0 | 0 | 0 | 108.6 | V74 F78 L116 | V74-P76 VanDerWaalsContact O-N 3.09Å; P76-F78 PolarHBondContact O-N 2.89Å; P76-L116 HydrophobicContact CB-CB 4.2Å; P76-L116 HydrophobicContact CB-CD2 3.25Å; P76-L116 HydrophobicContact CB-CG 4.27Å; P76-L116 HydrophobicContact CG-CD2 3.4Å |
| 77 | A | 50.9 | Low | 63.9 | Low | 62 Ų | 62 | 89.7 Ų | 89.7 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | trans | -46.1 | 136.5 | -161 | 0 | 0 | 0 | 0 | 0 | 110.1 | V74 L75 C79 | V74-A77 HydrophobicContact CG1-CB 4.37Å; L75-A77 WeakPolarHBondContact O-CA 3.47Å; L75-A77 PolarHBondContact O-N 2.97Å; A77-C79 PolarHBondContact O-N 2.81Å | ||
| 78 | F | 56.9 | Low | 64.6 | Low | 186 Ų | 186 | 87.8 Ų | 87.8 | 82% | 0.816 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -44 | 141.3 | 165.1 | -72.3 | -89.3 | 0 | 0 | 0 | 108.5 | P76 | P76-F78 PolarHBondContact O-N 2.89Š|
| 79 | C | 69.2 | Low | 65.2 | Low | 38 Ų | 38 | 85 Ų | 85 | 26% | 0.257 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 145.3 | -165.9 | -36.7 | 0 | 0 | 0 | 0 | 113.9 | A77 P81 Q113 C115 | A77-C79 PolarHBondContact O-N 2.81Å; C79-P81 CarbonylContact O-C 3.53Å; C79-Q113 HydrophobicContact CB-CB 3.61Å; C79-Q113 HydrophobicContact CB-CG 4.08Å; C79-Q113 VanDerWaalsContact CB-OE1 3.28Å; C79-Q113 PolarHBondContact O-OE1 3Å; C79-C115 HydrophobicContact CB-CB 3.83Å; C79-C115 WeakPolarHBondContact CB-SG 3.32Å; C79-C115 WeakPolarHBondContact SG-CA 3.37Å; C79-C115 WeakPolarHBondContact SG-CB 3.46Å; C79-C115 CovalentContact SG-SG 2.02Å; C79-C115 PolarHBondContact SG-SG 3.24Å |
| 80 | D | 67.6 | Low | 66.2 | Low | 101 Ų | 101 | 84.9 Ų | 84.9 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 127.4 | 173.4 | -67.9 | -42.2 | 0 | 0 | 0 | 110.5 | Q113 N114 | D80-Q113 CarbonylContact O-C 3.55Å; D80-Q113 WeakPolarHBondContact O-CA 3.24Å; D80-Q113 PolarHBondContact O-OE1 2.76Å; D80-Q113 VanDerWaalsContact O-OE1 3.1Å; D80-N114 PolarHBondContact O-N 3.22Å |
| 81 | P | 65.8 | Low | 67.1 | Low | 56 Ų | 56 | 81.5 Ų | 81.5 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | S | Bend | cis | -84.6 | 158.2 | 2.1 | 30.7 | -35.2 | 0 | 0 | 0 | 117.6 | C79 Y109 Q113 | C79-P81 CarbonylContact O-C 3.53Å; P81-Y109 HydrophobicContact CB-CE2 4.38Å; P81-Y109 WeakPolarHBondContact CB-OH 3.32Å; P81-Y109 HydrophobicContact CG-CD2 4.48Å; P81-Y109 HydrophobicContact CG-CE2 3.63Å; P81-Y109 WeakPolarHBondContact CG-OH 3.46Å; P81-Y109 PolarHBondContact O-OH 3.34Å; P81-Q113 PolarHBondContact O-NE2 3.5Å; P81-Q113 PolarHBondContact O-OE1 3.02Å |
| 82 | P | 66.9 | Low | 68.3 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 37% | 0.37 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -69 | 143.2 | -170 | 29 | -37.7 | 0 | 0 | 0 | 115 | G94 Y109 | P82-G94 WeakPolarHBondContact CB-O 3.26Å; P82-G94 WeakPolarHBondContact CG-O 3.21Å; P82-Y109 PolarHBondContact O-OH 3.4Å |
| 83 | N | 73.8 | Confident | 69.1 | Low | 121 Ų | 121 | 86 Ų | 86 | 65% | 0.647 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -53 | 152.9 | 177.6 | -144.2 | 33.1 | 0 | 0 | 0 | 112.4 | C95 L96 | N83-C95 VanDerWaalsContact O-CB 3.29Å; N83-C95 WeakPolarHBondContact O-CB 3.39Å; N83-L96 PolarHBondContact O-N 2.98Å |
| 84 | P | 79.8 | Confident | 70.1 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 22% | 0.221 | 52% | 0.518 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 153.2 | -179.3 | 25.2 | -32.2 | 0 | 0 | 0 | 113.4 | L96 F99 | P84-L96 CarbonylContact C-O 3.52Å; P84-L96 WeakPolarHBondContact CA-O 3.4Å; P84-L96 HydrophobicContact CB-CB 4.43Å; P84-L96 WeakPolarHBondContact CB-O 3.41Å; P84-F99 HydrophobicContact CB-CD1 3.22Å; P84-F99 HydrophobicContact CB-CD2 4.39Å; P84-F99 HydrophobicContact CB-CE1 3.3Å; P84-F99 HydrophobicContact CB-CE2 4.45Å; P84-F99 HydrophobicContact CB-CG 3.81Å; P84-F99 HydrophobicContact CB-CZ 3.94Å; P84-F99 HydrophobicContact CG-CD1 3.96Å; P84-F99 HydrophobicContact CG-CD2 4.3Å; P84-F99 HydrophobicContact CG-CE1 3.79Å; P84-F99 HydrophobicContact CG-CE2 4.15Å; P84-F99 HydrophobicContact CG-CG 4.2Å; P84-F99 HydrophobicContact CG-CZ 3.89Å |
| 85 | C | 77.2 | Confident | 71.2 | Confident | 25 Ų | 25 | 80.4 Ų | 80.4 | 17% | 0.169 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 133.7 | -173.2 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | M89 C95 L96 | C85-M89 HydrophobicContact CB-CB 4.29Å; C85-C95 WeakPolarHBondContact CA-SG 3.32Å; C85-C95 HydrophobicContact CB-CB 3.93Å; C85-C95 WeakPolarHBondContact CB-SG 3.26Å; C85-C95 WeakPolarHBondContact SG-CB 3.3Å; C85-C95 PolarHBondContact SG-O 2.74Å; C85-C95 VanDerWaalsContact SG-O 3.33Å; C85-C95 CovalentContact SG-SG 2.03Å; C85-C95 PolarHBondContact SG-SG 3.06Å; C85-L96 PolarHBondContact N-O 3.07Å |
| 86 | P | 77.5 | Confident | 72.3 | Confident | 58 Ų | 58 | 76.2 Ų | 76.2 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 160.5 | 164.7 | 30.5 | -34.5 | 0 | 0 | 0 | 109.9 | G88 M89 | P86-G88 PolarHBondContact O-N 2.81Å; P86-G88 VanDerWaalsContact O-N 3.15Å; P86-M89 HydrophobicContact CG-CB 4.1Å; P86-M89 HydrophobicContact CG-CE 4.08Å; P86-M89 HydrophobicContact CG-CG 3.85Å; P86-M89 HydrophobicContact CG-SD 3.37Å; P86-M89 WeakPolarHBondContact CG-SD 3.41Å; P86-M89 PolarHBondContact O-N 3.14Å |
| 87 | P | 76.6 | Confident | 73.4 | Confident | 141 Ų | 141 | 77.3 Ų | 77.3 | 92% | 0.916 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 122.9 | -180 | 24.4 | -34.1 | 0 | 0 | 0 | 111 | ||
| 88 | G | 78.2 | Confident | 74.8 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 88% | 0.876 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | -1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P86 | P86-G88 PolarHBondContact O-N 2.81Å; P86-G88 VanDerWaalsContact O-N 3.15Å |
| 89 | M | 74.9 | Confident | 75.9 | Confident | 62 Ų | 62 | 76 Ų | 76 | 31% | 0.305 | 46% | 0.458 | S | S | . | . | trans | -101.7 | 151.7 | 168.9 | -69.8 | -174.4 | -173.4 | 0 | 0 | 110.8 | N39 C85 P86 D93 | N39-M89 WeakPolarHBondContact ND2-CE 3.38Å; C85-M89 HydrophobicContact CB-CB 4.29Å; P86-M89 HydrophobicContact CG-CB 4.1Å; P86-M89 HydrophobicContact CG-CE 4.08Å; P86-M89 HydrophobicContact CG-CG 3.85Å; P86-M89 HydrophobicContact CG-SD 3.37Å; P86-M89 WeakPolarHBondContact CG-SD 3.41Å; P86-M89 PolarHBondContact O-N 3.14Å; M89-D93 WeakPolarHBondContact CA-OD2 3.24Å; M89-D93 HydrophobicContact CB-CB 4.34Å; M89-D93 WeakPolarHBondContact CB-OD2 3.29Å; M89-D93 WeakPolarHBondContact CG-OD2 3.41Å | ||
| 90 | T | 80.9 | Confident | 76.6 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 34% | 0.344 | 48% | 0.475 | S | S | . | . | trans | -115.5 | 173.2 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | E92 D93 C95 E97 | T90-E92 PolarHBondContact O-N 3.2Å; T90-D93 PolarHBondContact N-OD2 3.01Å; T90-D93 WeakPolarHBondContact O-CB 3.3Å; T90-D93 PolarHBondContact O-N 2.74Å; T90-C95 PolarHBondContact O-SG 2.99Å; T90-C95 VanDerWaalsContact O-SG 3.41Å; T90-E97 VanDerWaalsContact C-OE1 3.3Å; T90-E97 WeakPolarHBondContact CA-OE1 3.36Å; T90-E97 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 91 | A | 80.7 | Confident | 77.2 | Confident | 58 Ų | 58 | 82.2 Ų | 82.2 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -58.2 | -19.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D93 G94 E97 | A91-D93 PolarHBondContact O-N 3.41Å; A91-G94 PolarHBondContact O-N 2.78Å; A91-G94 VanDerWaalsContact O-N 3.13Å; A91-E97 HydrophobicContact CB-CG 4.04Å; A91-E97 VanDerWaalsContact N-CD 3.33Å; A91-E97 PolarHBondContact N-OE1 2.71Å |
| 92 | E | 79.9 | Confident | 78.2 | Confident | 183 Ų | 183 | 82.6 Ų | 82.6 | 86% | 0.855 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -64.9 | -28.1 | 173.1 | -58 | -175.5 | 169.1 | 0 | 0 | 112.4 | T90 G94 | T90-E92 PolarHBondContact O-N 3.2Å; E92-G94 PolarHBondContact O-N 3.42Å |
| 93 | D | 74.3 | Confident | 79 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -82.5 | 2.5 | 175.5 | -62.1 | -47.8 | 0 | 0 | 0 | 112.6 | M89 T90 A91 | M89-D93 WeakPolarHBondContact CA-OD2 3.24Å; M89-D93 HydrophobicContact CB-CB 4.34Å; M89-D93 WeakPolarHBondContact CB-OD2 3.29Å; M89-D93 WeakPolarHBondContact CG-OD2 3.41Å; T90-D93 PolarHBondContact N-OD2 3.01Å; T90-D93 WeakPolarHBondContact O-CB 3.3Å; T90-D93 PolarHBondContact O-N 2.74Å; A91-D93 PolarHBondContact O-N 3.41Å |
| 94 | G | 73.8 | Confident | 79.7 | Confident | 47 Ų | 47 | 84.6 Ų | 84.6 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 25.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P82 A91 E92 | P82-G94 WeakPolarHBondContact CB-O 3.26Å; P82-G94 WeakPolarHBondContact CG-O 3.21Å; A91-G94 PolarHBondContact O-N 2.78Å; A91-G94 VanDerWaalsContact O-N 3.13Å; E92-G94 PolarHBondContact O-N 3.42Å |
| 95 | C | 78.5 | Confident | 80 | Confident | 18 Ų | 18 | 86 Ų | 86 | 12% | 0.122 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -116.5 | 164.1 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | N83 C85 T90 | N83-C95 VanDerWaalsContact O-CB 3.29Å; N83-C95 WeakPolarHBondContact O-CB 3.39Å; C85-C95 WeakPolarHBondContact CA-SG 3.32Å; C85-C95 HydrophobicContact CB-CB 3.93Å; C85-C95 WeakPolarHBondContact CB-SG 3.26Å; C85-C95 WeakPolarHBondContact SG-CB 3.3Å; C85-C95 PolarHBondContact SG-O 2.74Å; C85-C95 VanDerWaalsContact SG-O 3.33Å; C85-C95 CovalentContact SG-SG 2.03Å; C85-C95 PolarHBondContact SG-SG 3.06Å; T90-C95 PolarHBondContact O-SG 2.99Å; T90-C95 VanDerWaalsContact O-SG 3.41Å |
| 96 | L | 79 | Confident | 80.3 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 29% | 0.293 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | -85.7 | 112.7 | -179.2 | -174.5 | 68.4 | 0 | 0 | 0 | 111.3 | N83 P84 C85 D98 F99 Y109 | N83-L96 PolarHBondContact O-N 2.98Å; P84-L96 CarbonylContact C-O 3.52Å; P84-L96 WeakPolarHBondContact CA-O 3.4Å; P84-L96 HydrophobicContact CB-CB 4.43Å; P84-L96 WeakPolarHBondContact CB-O 3.41Å; C85-L96 PolarHBondContact N-O 3.07Å; L96-D98 WeakPolarHBondContact CG-O 3.29Å; L96-F99 HydrophobicContact CD2-CB 3.73Å; L96-F99 HydrophobicContact CG-CB 4.32Å; L96-Y109 HydrophobicContact CD2-CE2 4.23Å |
| 97 | E | 79.7 | Confident | 80.6 | Confident | 98 Ų | 98 | 92.2 Ų | 92.2 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -71.3 | -48.6 | 177.3 | -69.3 | -177.9 | 170.4 | 0 | 0 | 112.3 | T90 A91 | T90-E97 VanDerWaalsContact C-OE1 3.3Å; T90-E97 WeakPolarHBondContact CA-OE1 3.36Å; T90-E97 WeakPolarHBondContact CB-OE1 3.45Å; A91-E97 HydrophobicContact CB-CG 4.04Å; A91-E97 VanDerWaalsContact N-CD 3.33Å; A91-E97 PolarHBondContact N-OE1 2.71Å |
| 98 | D | 79.4 | Confident | 80.9 | Confident | 144 Ų | 144 | 87.8 Ų | 87.8 | 77% | 0.77 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -102.1 | 110.2 | -176.4 | -73 | -32.8 | 0 | 0 | 0 | 110.8 | L96 | L96-D98 WeakPolarHBondContact CG-O 3.29Š|
| 99 | F | 81 | Confident | 81.2 | Confident | 77 Ų | 77 | 85.4 Ų | 85.4 | 34% | 0.338 | 46% | 0.461 | S | S | . | . | trans | -140.8 | 150 | 174.3 | 75.7 | -81.2 | 0 | 0 | 0 | 112.1 | P84 L96 N101 F105 | P84-F99 HydrophobicContact CB-CD1 3.22Å; P84-F99 HydrophobicContact CB-CD2 4.39Å; P84-F99 HydrophobicContact CB-CE1 3.3Å; P84-F99 HydrophobicContact CB-CE2 4.45Å; P84-F99 HydrophobicContact CB-CG 3.81Å; P84-F99 HydrophobicContact CB-CZ 3.94Å; P84-F99 HydrophobicContact CG-CD1 3.96Å; P84-F99 HydrophobicContact CG-CD2 4.3Å; P84-F99 HydrophobicContact CG-CE1 3.79Å; P84-F99 HydrophobicContact CG-CE2 4.15Å; P84-F99 HydrophobicContact CG-CG 4.2Å; P84-F99 HydrophobicContact CG-CZ 3.89Å; L96-F99 HydrophobicContact CD2-CB 3.73Å; L96-F99 HydrophobicContact CG-CB 4.32Å; F99-N101 HydrophobicContact CE2-CB 3.89Å; F99-N101 HydrophobicContact CZ-CB 4.45Å; F99-N101 PolarHBondContact O-N 3.05Å; F99-F105 HydrophobicContact CB-CE1 3.89Å; F99-F105 HydrophobicContact CB-CZ 4.36Å; F99-F105 HydrophobicContact CD2-CE1 4.49Å | ||
| 100 | E | 83.5 | Confident | 81.3 | Confident | 130 Ų | 130 | 88.7 Ų | 88.7 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | trans | -75.3 | 113.8 | 171.5 | -66.5 | -174.7 | 174.7 | 0 | 0 | 109.4 | T102 F105 | E100-T102 HydrophobicContact CB-CG2 4.48Å; E100-T102 PolarHBondContact O-N 2.79Å; E100-F105 HydrophobicContact CB-CB 4.14Å; E100-F105 HydrophobicContact CB-CD2 4.21Å; E100-F105 HydrophobicContact CB-CG 4.06Å; E100-F105 WeakPolarHBondContact O-CB 3.44Å; E100-F105 VanDerWaalsContact O-CD1 3.28Å; E100-F105 WeakPolarHBondContact O-CD1 3.35Å | ||
| 101 | N | 80.4 | Confident | 81.1 | Confident | 139 Ų | 139 | 89.7 Ų | 89.7 | 74% | 0.743 | 49% | 0.489 | S | S | * | . | trans | -77.4 | 61.7 | 176.6 | -165.1 | -1.3 | 0 | 0 | 0 | 111.3 | F99 | F99-N101 HydrophobicContact CE2-CB 3.89Å; F99-N101 HydrophobicContact CZ-CB 4.45Å; F99-N101 PolarHBondContact O-N 3.05Å | ||
| 102 | T | 86.1 | Confident | 81 | Confident | 64 Ų | 64 | 93.1 Ų | 93.1 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | trans | -118.5 | 142.5 | 174.4 | 71.3 | 0 | 0 | 0 | 0 | 110 | E100 E104 F105 S106 | E100-T102 HydrophobicContact CB-CG2 4.48Å; E100-T102 PolarHBondContact O-N 2.79Å; T102-E104 PolarHBondContact O-N 3.4Å; T102-F105 PolarHBondContact O-N 2.94Å; T102-F105 WeakPolarHBondContact OG1-CB 3.02Å; T102-F105 PolarHBondContact OG1-N 3.14Å; T102-F105 VanDerWaalsContact OG1-N 3.12Å; T102-S106 PolarHBondContact O-N 3.35Å; T102-S106 PolarHBondContact O-OG 3.39Å | ||
| 103 | A | 84.8 | Confident | 80.8 | Confident | 74 Ų | 74 | 85 Ų | 85 | 61% | 0.612 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.6 | -21.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R107 | A103-R107 WeakPolarHBondContact O-CG 3.37Å; A103-R107 PolarHBondContact O-N 3.28Å; A103-R107 PolarHBondContact O-NE 3.07Å |
| 104 | E | 87.3 | Confident | 80.6 | Confident | 146 Ų | 146 | 84.1 Ų | 84.1 | 68% | 0.682 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.4 | -48.6 | 172.8 | -173.3 | 167.2 | -168.6 | 0 | 0 | 111.1 | T102 S106 R107 A108 | T102-E104 PolarHBondContact O-N 3.4Å; E104-S106 PolarHBondContact O-N 3.46Å; E104-R107 PolarHBondContact O-N 3.43Å; E104-A108 PolarHBondContact O-N 2.81Å |
| 105 | F | 86.5 | Confident | 80.4 | Confident | 62 Ų | 62 | 83.7 Ų | 83.7 | 27% | 0.272 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 173.5 | -178.5 | -93.3 | 0 | 0 | 0 | 110.9 | F99 E100 T102 R107 A108 Y109 | F99-F105 HydrophobicContact CB-CE1 3.89Å; F99-F105 HydrophobicContact CB-CZ 4.36Å; F99-F105 HydrophobicContact CD2-CE1 4.49Å; E100-F105 HydrophobicContact CB-CB 4.14Å; E100-F105 HydrophobicContact CB-CD2 4.21Å; E100-F105 HydrophobicContact CB-CG 4.06Å; E100-F105 WeakPolarHBondContact O-CB 3.44Å; E100-F105 VanDerWaalsContact O-CD1 3.28Å; E100-F105 WeakPolarHBondContact O-CD1 3.35Å; T102-F105 PolarHBondContact O-N 2.94Å; T102-F105 WeakPolarHBondContact OG1-CB 3.02Å; T102-F105 PolarHBondContact OG1-N 3.14Å; T102-F105 VanDerWaalsContact OG1-N 3.12Å; F105-R107 VanDerWaalsContact C-N 3.3Å; F105-R107 PolarHBondContact O-N 3.25Å; F105-A108 PolarHBondContact O-N 2.87Å; F105-Y109 AromaticContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CG 4.12Å; F105-Y109 AromaticContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CE2 4.37Å; F105-Y109 HydrophobicContact CZ-CG 4.41Å; F105-Y109 WeakPolarHBondContact O-CB 3.42Å; F105-Y109 PolarHBondContact O-N 3.09Å |
| 106 | S | 83.3 | Confident | 79.9 | Confident | 42 Ų | 42 | 85.6 Ų | 85.6 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | T102 E104 Q110 | T102-S106 PolarHBondContact O-N 3.35Å; T102-S106 PolarHBondContact O-OG 3.39Å; E104-S106 PolarHBondContact O-N 3.46Å; S106-Q110 VanDerWaalsContact O-CB 3.3Å; S106-Q110 WeakPolarHBondContact O-CB 3.35Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 3.26Å |
| 107 | R | 83.2 | Confident | 79.5 | Confident | 172 Ų | 172 | 83.4 Ų | 83.4 | 65% | 0.649 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.7 | -46.6 | 177.7 | -78.5 | -175.5 | -65.1 | 174 | 4 | 112.1 | A103 E104 F105 Y109 A111 | A103-R107 WeakPolarHBondContact O-CG 3.37Å; A103-R107 PolarHBondContact O-N 3.28Å; A103-R107 PolarHBondContact O-NE 3.07Å; E104-R107 PolarHBondContact O-N 3.43Å; F105-R107 VanDerWaalsContact C-N 3.3Å; F105-R107 PolarHBondContact O-N 3.25Å; R107-Y109 VanDerWaalsContact C-N 3.34Å; R107-A111 VanDerWaalsContact O-CB 3.24Å; R107-A111 WeakPolarHBondContact O-CB 3.37Å; R107-A111 PolarHBondContact O-N 3.24Å |
| 108 | A | 84.6 | Confident | 78.9 | Confident | 49 Ų | 49 | 81.7 Ų | 81.7 | 41% | 0.405 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E104 F105 A111 N112 | E104-A108 PolarHBondContact O-N 2.81Å; F105-A108 PolarHBondContact O-N 2.87Å; A108-A111 PolarHBondContact O-N 3.34Å; A108-N112 WeakPolarHBondContact O-CB 3.49Å; A108-N112 VanDerWaalsContact O-CG 3.22Å; A108-N112 PolarHBondContact O-N 3.41Å; A108-N112 PolarHBondContact O-ND2 3.47Å |
| 109 | Y | 82.6 | Confident | 78.3 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 14% | 0.137 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.4 | -52.3 | 177.8 | -168.9 | -100.2 | 0 | 0 | 0 | 110.9 | P81 P82 L96 F105 R107 A111 N112 Q113 | P81-Y109 HydrophobicContact CB-CE2 4.38Å; P81-Y109 WeakPolarHBondContact CB-OH 3.32Å; P81-Y109 HydrophobicContact CG-CD2 4.48Å; P81-Y109 HydrophobicContact CG-CE2 3.63Å; P81-Y109 WeakPolarHBondContact CG-OH 3.46Å; P81-Y109 PolarHBondContact O-OH 3.34Å; P82-Y109 PolarHBondContact O-OH 3.4Å; L96-Y109 HydrophobicContact CD2-CE2 4.23Å; F105-Y109 AromaticContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CD2 3.93Å; F105-Y109 HydrophobicContact CE1-CG 4.12Å; F105-Y109 AromaticContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CD2 3.78Å; F105-Y109 HydrophobicContact CZ-CE2 4.37Å; F105-Y109 HydrophobicContact CZ-CG 4.41Å; F105-Y109 WeakPolarHBondContact O-CB 3.42Å; F105-Y109 PolarHBondContact O-N 3.09Å; R107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-A111 VanDerWaalsContact C-N 3.34Å; Y109-A111 PolarHBondContact O-N 3.43Å; Y109-N112 PolarHBondContact O-N 3.15Å; Y109-Q113 VanDerWaalsContact CD1-NE2 3.32Å; Y109-Q113 VanDerWaalsContact O-CG 3.28Å; Y109-Q113 WeakPolarHBondContact O-CG 3.2Å; Y109-Q113 PolarHBondContact O-N 3.22Å; Y109-Q113 PolarHBondContact O-NE2 3.42Å |
| 110 | Q | 78.1 | Confident | 77.5 | Confident | 130 Ų | 130 | 83.5 Ų | 83.5 | 61% | 0.607 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.1 | -36 | 176.8 | -73.7 | 173.3 | 13.9 | 0 | 0 | 113.1 | S106 N112 Q113 | S106-Q110 VanDerWaalsContact O-CB 3.3Å; S106-Q110 WeakPolarHBondContact O-CB 3.35Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 3.26Å; Q110-N112 VanDerWaalsContact C-N 3.33Å; Q110-Q113 VanDerWaalsContact O-CB 3.31Å; Q110-Q113 WeakPolarHBondContact O-CB 3.37Å; Q110-Q113 WeakPolarHBondContact O-CG 3.22Å; Q110-Q113 PolarHBondContact O-N 3.26Å |
| 111 | A | 77.3 | Confident | 76.6 | Confident | 77 Ų | 77 | 83.8 Ų | 83.8 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.1 | -29.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | R107 A108 Y109 Q113 | R107-A111 VanDerWaalsContact O-CB 3.24Å; R107-A111 WeakPolarHBondContact O-CB 3.37Å; R107-A111 PolarHBondContact O-N 3.24Å; A108-A111 PolarHBondContact O-N 3.34Å; Y109-A111 VanDerWaalsContact C-N 3.34Å; Y109-A111 PolarHBondContact O-N 3.43Å; A111-Q113 VanDerWaalsContact C-N 3.3Å |
| 112 | N | 78.6 | Confident | 76.1 | Confident | 130 Ų | 130 | 82.3 Ų | 82.3 | 70% | 0.695 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.2 | 178.4 | -68.7 | -13.7 | 0 | 0 | 0 | 113.1 | A108 Y109 Q110 | A108-N112 WeakPolarHBondContact O-CB 3.49Å; A108-N112 VanDerWaalsContact O-CG 3.22Å; A108-N112 PolarHBondContact O-N 3.41Å; A108-N112 PolarHBondContact O-ND2 3.47Å; Y109-N112 PolarHBondContact O-N 3.15Å; Q110-N112 VanDerWaalsContact C-N 3.33Å |
| 113 | Q | 75 | Confident | 75 | Confident | 14 Ų | 14 | 88.9 Ų | 88.9 | 7% | 0.065 | 46% | 0.462 | C | S | . | . | trans | -68.9 | 128.9 | 179.2 | -69.5 | -59.9 | -37.6 | 0 | 0 | 111.7 | C79 D80 P81 Y109 Q110 A111 C115 H129 | C79-Q113 HydrophobicContact CB-CB 3.61Å; C79-Q113 HydrophobicContact CB-CG 4.08Å; C79-Q113 VanDerWaalsContact CB-OE1 3.28Å; C79-Q113 PolarHBondContact O-OE1 3Å; D80-Q113 CarbonylContact O-C 3.55Å; D80-Q113 WeakPolarHBondContact O-CA 3.24Å; D80-Q113 PolarHBondContact O-OE1 2.76Å; D80-Q113 VanDerWaalsContact O-OE1 3.1Å; P81-Q113 PolarHBondContact O-NE2 3.5Å; P81-Q113 PolarHBondContact O-OE1 3.02Å; Y109-Q113 VanDerWaalsContact CD1-NE2 3.32Å; Y109-Q113 VanDerWaalsContact O-CG 3.28Å; Y109-Q113 WeakPolarHBondContact O-CG 3.2Å; Y109-Q113 PolarHBondContact O-N 3.22Å; Y109-Q113 PolarHBondContact O-NE2 3.42Å; Q110-Q113 VanDerWaalsContact O-CB 3.31Å; Q110-Q113 WeakPolarHBondContact O-CB 3.37Å; Q110-Q113 WeakPolarHBondContact O-CG 3.22Å; Q110-Q113 PolarHBondContact O-N 3.26Å; A111-Q113 VanDerWaalsContact C-N 3.3Å; Q113-C115 VanDerWaalsContact C-N 3.31Å; Q113-C115 PolarHBondContact O-N 3.35Å; Q113-C115 VanDerWaalsContact O-N 3.09Å; Q113-H129 PolarHBondContact O-CE1 3.28Å; Q113-H129 PolarHBondContact O-NE2 3.26Å | ||
| 114 | N | 70.1 | Confident | 74.3 | Confident | 62 Ų | 62 | 90.4 Ų | 90.4 | 33% | 0.332 | 47% | 0.468 | S | S | . | . | B | Isolated β-bridge | trans | -84.8 | 78.1 | 167.5 | -171.7 | 24.9 | 0 | 0 | 0 | 109.8 | D80 Y130 | D80-N114 PolarHBondContact O-N 3.22Å; N114-Y130 WeakPolarHBondContact ND2-CD2 3.12Å |
| 115 | C | 69.2 | Low | 73.4 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | trans | -76.1 | 152.2 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | C79 Q113 C117 H129 | C79-C115 HydrophobicContact CB-CB 3.83Å; C79-C115 WeakPolarHBondContact CB-SG 3.32Å; C79-C115 WeakPolarHBondContact SG-CA 3.37Å; C79-C115 WeakPolarHBondContact SG-CB 3.46Å; C79-C115 CovalentContact SG-SG 2.02Å; C79-C115 PolarHBondContact SG-SG 3.24Å; Q113-C115 VanDerWaalsContact C-N 3.31Å; Q113-C115 PolarHBondContact O-N 3.35Å; Q113-C115 VanDerWaalsContact O-N 3.09Å; C115-C117 PolarHBondContact O-N 3.28Å; C115-C117 VanDerWaalsContact O-N 3.17Å; C115-H129 PolarHBondContact N-CE1 3.5Å; C115-H129 PolarHBondContact O-CE1 3.41Å; C115-H129 PolarHBondContact O-ND1 3.43Å | ||
| 116 | L | 68.6 | Low | 72.5 | Confident | 58 Ų | 58 | 83.7 Ų | 83.7 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | trans | -67.3 | 116.2 | 161.4 | -169.8 | 65 | 0 | 0 | 0 | 108.9 | P76 D118 Y130 A132 | P76-L116 HydrophobicContact CB-CB 4.2Å; P76-L116 HydrophobicContact CB-CD2 3.25Å; P76-L116 HydrophobicContact CB-CG 4.27Å; P76-L116 HydrophobicContact CG-CD2 3.4Å; L116-D118 PolarHBondContact O-N 3.43Å; L116-Y130 WeakPolarHBondContact CD1-O 3.26Å; L116-A132 HydrophobicContact CD1-CB 3.92Å; L116-A132 HydrophobicContact CD2-CB 3.68Å; L116-A132 HydrophobicContact CG-CB 4Å | ||
| 117 | C | 70.8 | Confident | 71.5 | Confident | 10 Ų | 10 | 86.7 Ų | 86.7 | 7% | 0.068 | 46% | 0.462 | C | S | . | . | B | Isolated β-bridge | trans | -82.2 | 113.7 | 176 | -154.6 | 0 | 0 | 0 | 0 | 109.6 | C115 C125 H129 Y130 | C115-C117 PolarHBondContact O-N 3.28Å; C115-C117 VanDerWaalsContact O-N 3.17Å; C117-C125 HydrophobicContact CB-CB 3.75Å; C117-C125 WeakPolarHBondContact CB-SG 3.42Å; C117-C125 WeakPolarHBondContact SG-CA 3.33Å; C117-C125 WeakPolarHBondContact SG-CB 2.97Å; C117-C125 CovalentContact SG-SG 2.02Å; C117-C125 PolarHBondContact SG-SG 2.9Å; C117-H129 HydrophobicContact CB-CB 4.06Å; C117-Y130 PolarHBondContact N-O 2.92Å |
| 118 | D | 67.4 | Low | 70.4 | Confident | 63 Ų | 63 | 87.3 Ų | 87.3 | 34% | 0.337 | 47% | 0.466 | S | S | . | . | trans | -90.3 | 109.6 | 174.3 | -179.7 | 13.6 | 0 | 0 | 0 | 109.9 | L116 D120 H121 M122 | L116-D118 PolarHBondContact O-N 3.43Å; D118-D120 PolarHBondContact O-N 3.4Å; D118-D120 WeakPolarHBondContact OD1-CB 3.45Å; D118-D120 PolarHBondContact OD1-N 2.96Å; D118-H121 PolarHBondContact O-N 3.17Å; D118-H121 IonicContact OD2-CE1 2.83Å; D118-H121 IonicContact OD2-CG 2.76Å; D118-H121 IonicContact OD2-ND1 3.53Å; D118-H121 PolarHBondContact OD2-ND1 3.11Å; D118-M122 VanDerWaalsContact O-CB 3.26Å; D118-M122 WeakPolarHBondContact O-CB 3.01Å; D118-M122 WeakPolarHBondContact O-CG 3.34Å; D118-M122 PolarHBondContact O-N 3.18Å | ||
| 119 | E | 65.8 | Low | 69.3 | Low | 124 Ų | 124 | 86.5 Ų | 86.5 | 58% | 0.579 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.5 | 179.5 | -64.4 | -165.6 | 174.8 | 0 | 0 | 112.8 | H121 R131 | E119-H121 VanDerWaalsContact C-N 3.26Å; E119-H121 PolarHBondContact O-N 2.77Å; E119-R131 IonicContact OE1-NE 3.25Å; E119-R131 PolarHBondContact OE1-NE 3.13Å |
| 120 | D | 64 | Low | 68.2 | Low | 134 Ų | 134 | 91.7 Ų | 91.7 | 72% | 0.717 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.4 | 176.3 | -73.4 | -15.9 | 0 | 0 | 0 | 112 | D118 | D118-D120 PolarHBondContact O-N 3.4Å; D118-D120 WeakPolarHBondContact OD1-CB 3.45Å; D118-D120 PolarHBondContact OD1-N 2.96Å |
| 121 | H | 65.6 | Low | 67.4 | Low | 137 Ų | 137 | 88.5 Ų | 88.5 | 63% | 0.634 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | -19.3 | -174.9 | -56.7 | 104.6 | 0 | 0 | 0 | 114.1 | D118 E119 | D118-H121 PolarHBondContact O-N 3.17Å; D118-H121 IonicContact OD2-CE1 2.83Å; D118-H121 IonicContact OD2-CG 2.76Å; D118-H121 IonicContact OD2-ND1 3.53Å; D118-H121 PolarHBondContact OD2-ND1 3.11Å; E119-H121 VanDerWaalsContact C-N 3.26Å; E119-H121 PolarHBondContact O-N 2.77Å |
| 122 | M | 68.7 | Low | 66.4 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 53% | 0.532 | 44% | 0.443 | S | S | . | . | trans | -103.4 | 104.3 | 178.4 | -60.1 | -97.4 | 79.5 | 0 | 0 | 110 | D118 S124 | D118-M122 VanDerWaalsContact O-CB 3.26Å; D118-M122 WeakPolarHBondContact O-CB 3.01Å; D118-M122 WeakPolarHBondContact O-CG 3.34Å; D118-M122 PolarHBondContact O-N 3.18Å; M122-S124 PolarHBondContact O-N 3.25Å | ||
| 123 | F | 65 | Low | 65.5 | Low | 202 Ų | 202 | 83.3 Ų | 83.3 | 89% | 0.886 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -68 | -5 | 178.8 | -60.3 | -75.6 | 0 | 0 | 0 | 114.2 | ||
| 124 | S | 68.3 | Low | 64.8 | Low | 106 Ų | 106 | 85 Ų | 85 | 74% | 0.741 | 44% | 0.437 | S | S | * | . | trans | -152.2 | 78.7 | -174.1 | -55 | 0 | 0 | 0 | 0 | 110.9 | M122 | M122-S124 PolarHBondContact O-N 3.25Š| ||
| 125 | C | 68.3 | Low | 64.1 | Low | 28 Ų | 28 | 87.8 Ų | 87.8 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | trans | -81.1 | 125.7 | 171.7 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | C117 | C117-C125 HydrophobicContact CB-CB 3.75Å; C117-C125 WeakPolarHBondContact CB-SG 3.42Å; C117-C125 WeakPolarHBondContact SG-CA 3.33Å; C117-C125 WeakPolarHBondContact SG-CB 2.97Å; C117-C125 CovalentContact SG-SG 2.02Å; C117-C125 PolarHBondContact SG-SG 2.9Å | ||
| 126 | P | 69 | Low | 63.4 | Low | 39 Ų | 39 | 93.4 Ų | 93.4 | 25% | 0.253 | 47% | 0.469 | S | S | . | . | trans | -63.3 | 145 | 171.7 | -15.4 | 28 | 0 | 0 | 0 | 110.9 | Y128 H129 | P126-Y128 HydrophobicContact CB-CD1 4.11Å; P126-Y128 HydrophobicContact CB-CD2 3.97Å; P126-Y128 HydrophobicContact CB-CE1 3.61Å; P126-Y128 HydrophobicContact CB-CE2 3.44Å; P126-Y128 VanDerWaalsContact CB-CE2 3.44Å; P126-Y128 HydrophobicContact CB-CG 4.28Å; P126-Y128 HydrophobicContact CG-CE2 4.09Å; P126-Y128 PolarHBondContact O-N 3.2Å; P126-H129 PolarHBondContact O-N 3.02Å | ||
| 127 | P | 62.5 | Low | 62.7 | Low | 104 Ų | 104 | 95.5 Ų | 95.5 | 68% | 0.675 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.6 | -173.4 | 25.5 | -34.1 | 0 | 0 | 0 | 114.4 | ||
| 128 | Y | 60 | Low | 61.7 | Low | 185 Ų | 185 | 101 Ų | 101 | 73% | 0.725 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -3.2 | -178.3 | 44 | -96.4 | 0 | 0 | 0 | 114.3 | P126 | P126-Y128 HydrophobicContact CB-CD1 4.11Å; P126-Y128 HydrophobicContact CB-CD2 3.97Å; P126-Y128 HydrophobicContact CB-CE1 3.61Å; P126-Y128 HydrophobicContact CB-CE2 3.44Å; P126-Y128 VanDerWaalsContact CB-CE2 3.44Å; P126-Y128 HydrophobicContact CB-CG 4.28Å; P126-Y128 HydrophobicContact CG-CE2 4.09Å; P126-Y128 PolarHBondContact O-N 3.2Å |
| 129 | H | 61.1 | Low | 61 | Low | 32 Ų | 32 | 103 Ų | 103 | 15% | 0.148 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -76.4 | 138.8 | 173.9 | -101.3 | -102.4 | 0 | 0 | 0 | 110.9 | Q113 C115 C117 P126 R131 | Q113-H129 PolarHBondContact O-CE1 3.28Å; Q113-H129 PolarHBondContact O-NE2 3.26Å; C115-H129 PolarHBondContact N-CE1 3.5Å; C115-H129 PolarHBondContact O-CE1 3.41Å; C115-H129 PolarHBondContact O-ND1 3.43Å; C117-H129 HydrophobicContact CB-CB 4.06Å; P126-H129 PolarHBondContact O-N 3.02Å; H129-R131 PolarHBondContact O-N 3.49Å; H129-R131 VanDerWaalsContact O-N 3.13Å |
| 130 | Y | 58.5 | Low | 60.6 | Low | 145 Ų | 145 | 98.7 Ų | 98.7 | 57% | 0.569 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 119.4 | 168.4 | -96.4 | -100.9 | 0 | 0 | 0 | 108.6 | N114 L116 C117 | N114-Y130 WeakPolarHBondContact ND2-CD2 3.12Å; L116-Y130 WeakPolarHBondContact CD1-O 3.26Å; C117-Y130 PolarHBondContact N-O 2.92Å |
| 131 | R | 61 | Low | 60.4 | Low | 63 Ų | 63 | 97 Ų | 97 | 24% | 0.238 | 49% | 0.491 | C | S | . | . | B | Isolated β-bridge | trans | -88.7 | 141.6 | 173.5 | -62.9 | -174.5 | 164 | 80.4 | 4.4 | 109.6 | E119 H129 S133 D134 | E119-R131 IonicContact OE1-NE 3.25Å; E119-R131 PolarHBondContact OE1-NE 3.13Å; H129-R131 PolarHBondContact O-N 3.49Å; H129-R131 VanDerWaalsContact O-N 3.13Å; R131-S133 WeakPolarHBondContact CB-OG 2.98Å; R131-S133 PolarHBondContact O-N 3.44Å; R131-D134 HydrophobicContact CB-CB 4.18Å; R131-D134 WeakPolarHBondContact CB-OD2 2.96Å; R131-D134 PolarHBondContact O-N 2.9Å |
| 132 | A | 58 | Low | 60.5 | Low | 43 Ų | 43 | 97.3 Ų | 97.3 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.7 | -34.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | L116 D134 | L116-A132 HydrophobicContact CD1-CB 3.92Å; L116-A132 HydrophobicContact CD2-CB 3.68Å; L116-A132 HydrophobicContact CG-CB 4Å; A132-D134 VanDerWaalsContact C-N 3.33Å; A132-D134 PolarHBondContact O-N 3.43Å |
| 133 | S | 58.6 | Low | 60.8 | Low | 54 Ų | 54 | 98.4 Ų | 98.4 | 38% | 0.378 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -31.7 | 176.5 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | R131 F136 K137 | R131-S133 WeakPolarHBondContact CB-OG 2.98Å; R131-S133 PolarHBondContact O-N 3.44Å; S133-F136 PolarHBondContact O-N 3.48Å; S133-K137 WeakPolarHBondContact O-CG 3.05Å; S133-K137 PolarHBondContact O-N 3.35Å; S133-K137 VanDerWaalsContact O-N 3.14Å |
| 134 | D | 59.7 | Low | 61.2 | Low | 50 Ų | 50 | 93 Ų | 93 | 27% | 0.267 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -80.7 | -23.2 | -168.3 | -65.8 | -11.1 | 0 | 0 | 0 | 111.9 | R131 A132 F136 K137 | R131-D134 HydrophobicContact CB-CB 4.18Å; R131-D134 WeakPolarHBondContact CB-OD2 2.96Å; R131-D134 PolarHBondContact O-N 2.9Å; A132-D134 VanDerWaalsContact C-N 3.33Å; A132-D134 PolarHBondContact O-N 3.43Å; D134-F136 PolarHBondContact O-N 3.06Å; D134-K137 PolarHBondContact O-N 3.47Å; D134-K137 WeakPolarHBondContact OD1-CD 3.42Å; D134-K137 WeakPolarHBondContact OD1-CE 3Å; D134-K137 IonicContact OD1-NZ 3.85Å; D134-K137 PolarHBondContact OD1-NZ 3.19Å |
| 135 | Q | 56 | Low | 61.6 | Low | 121 Ų | 121 | 93.2 Ų | 93.2 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.3 | -28.2 | 169.1 | -88.8 | -174.6 | 0.1 | 0 | 0 | 113 | ||
| 136 | F | 53.9 | Low | 62 | Low | 155 Ų | 155 | 94.2 Ų | 94.2 | 68% | 0.68 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -90.4 | -24.2 | 176.2 | -73.1 | -80.4 | 0 | 0 | 0 | 113 | S133 D134 N138 N139 A140 | S133-F136 PolarHBondContact O-N 3.48Å; D134-F136 PolarHBondContact O-N 3.06Å; F136-N138 PolarHBondContact O-N 3.09Å; F136-N139 PolarHBondContact O-N 3.14Å; F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 2.98Å; F136-A140 PolarHBondContact O-N 3.41Å |
| 137 | K | 54.3 | Low | 62.6 | Low | 102 Ų | 102 | 96 Ų | 96 | 44% | 0.443 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | -178.8 | -80 | 178.7 | -169.8 | 160 | 0 | 113.7 | S133 D134 N139 A140 D141 | S133-K137 WeakPolarHBondContact O-CG 3.05Å; S133-K137 PolarHBondContact O-N 3.35Å; S133-K137 VanDerWaalsContact O-N 3.14Å; D134-K137 PolarHBondContact O-N 3.47Å; D134-K137 WeakPolarHBondContact OD1-CD 3.42Å; D134-K137 WeakPolarHBondContact OD1-CE 3Å; D134-K137 IonicContact OD1-NZ 3.85Å; D134-K137 PolarHBondContact OD1-NZ 3.19Å; K137-N139 PolarHBondContact O-N 3.17Å; K137-N139 VanDerWaalsContact O-N 3.14Å; K137-A140 PolarHBondContact O-N 3.22Å; K137-D141 PolarHBondContact O-N 2.86Å |
| 138 | N | 50.8 | Low | 63.4 | Low | 125 Ų | 125 | 96.7 Ų | 96.7 | 67% | 0.668 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -25.9 | 179.4 | -63.8 | -17.8 | 0 | 0 | 0 | 113.2 | F136 | F136-N138 PolarHBondContact O-N 3.09Å |
| 139 | N | 52.4 | Low | 64.4 | Low | 106 Ų | 106 | 94.6 Ų | 94.6 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -98.6 | -21.1 | 175.4 | -61.5 | -39.4 | 0 | 0 | 0 | 112.4 | F136 K137 F143 | F136-N139 PolarHBondContact O-N 3.14Å; K137-N139 PolarHBondContact O-N 3.17Å; K137-N139 VanDerWaalsContact O-N 3.14Å; N139-F143 WeakPolarHBondContact O-CB 3.04Å; N139-F143 PolarHBondContact O-N 3.15Å |
| 140 | A | 57.7 | Low | 65.2 | Low | 34 Ų | 34 | 98.3 Ų | 98.3 | 28% | 0.281 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F136 K137 E142 F143 D144 | F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 2.98Å; F136-A140 PolarHBondContact O-N 3.41Å; K137-A140 PolarHBondContact O-N 3.22Å; A140-E142 VanDerWaalsContact C-N 3.3Å; A140-E142 PolarHBondContact O-N 3.06Å; A140-F143 PolarHBondContact O-N 3.18Å; A140-D144 WeakPolarHBondContact O-CB 3.14Å; A140-D144 VanDerWaalsContact O-CG 3.26Å; A140-D144 PolarHBondContact O-N 3.36Å |
| 141 | D | 59.6 | Low | 65.8 | Low | 98 Ų | 98 | 96.7 Ų | 96.7 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.8 | -62.6 | -24.2 | 0 | 0 | 0 | 110.6 | K137 D145 | K137-D141 PolarHBondContact O-N 2.86Å; D141-D145 VanDerWaalsContact O-CB 3.3Å; D141-D145 WeakPolarHBondContact O-CB 3.37Å; D141-D145 PolarHBondContact O-N 2.02Å |
| 142 | E | 66.3 | Low | 66.2 | Low | 143 Ų | 143 | 100 Ų | 100 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.2 | -34.6 | 176.3 | -169 | 174.6 | -174.4 | 0 | 0 | 113 | A140 A146 | A140-E142 VanDerWaalsContact C-N 3.3Å; A140-E142 PolarHBondContact O-N 3.06Å; E142-A146 VanDerWaalsContact O-CB 3.24Å; E142-A146 WeakPolarHBondContact O-CB 3.39Å; E142-A146 PolarHBondContact O-N 2.73Å |
| 143 | F | 75.2 | Confident | 66.8 | Low | 132 Ų | 132 | 104 Ų | 104 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.4 | -39.2 | 175.3 | -177.7 | -95.3 | 0 | 0 | 0 | 112.4 | N139 A140 A146 L147 | N139-F143 WeakPolarHBondContact O-CB 3.04Å; N139-F143 PolarHBondContact O-N 3.15Å; A140-F143 PolarHBondContact O-N 3.18Å; F143-A146 PolarHBondContact O-N 2.02Å; F143-L147 VanDerWaalsContact O-CB 3.26Å; F143-L147 WeakPolarHBondContact O-CB 3.13Å; F143-L147 PolarHBondContact O-N 3.41Å |
| 144 | D | 74.1 | Confident | 67 | Low | 89 Ų | 89 | 103.7 Ų | 103.7 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 176.7 | -75.7 | -21 | 0 | 0 | 0 | 109.9 | A140 A146 L147 E148 | A140-D144 WeakPolarHBondContact O-CB 3.14Å; A140-D144 VanDerWaalsContact O-CG 3.26Å; A140-D144 PolarHBondContact O-N 3.36Å; D144-A146 PolarHBondContact O-N 3.34Å; D144-L147 PolarHBondContact O-N 2.03Å; D144-E148 WeakPolarHBondContact O-CB 2.98Å; D144-E148 PolarHBondContact O-N 3.17Å |
| 145 | D | 76.6 | Confident | 66.8 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 171 | -77.9 | -10.6 | 0 | 0 | 0 | 111.8 | D141 K149 | D141-D145 VanDerWaalsContact O-CB 3.3Å; D141-D145 WeakPolarHBondContact O-CB 3.37Å; D141-D145 PolarHBondContact O-N 2.02Å; D145-K149 VanDerWaalsContact O-CB 3.29Å; D145-K149 WeakPolarHBondContact O-CB 3.21Å; D145-K149 PolarHBondContact O-N 3.25Å |
| 146 | A | 77.3 | Confident | 66.9 | Low | 49 Ų | 49 | 107.2 Ų | 107.2 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.1 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E142 F143 D144 L150 | E142-A146 VanDerWaalsContact O-CB 3.24Å; E142-A146 WeakPolarHBondContact O-CB 3.39Å; E142-A146 PolarHBondContact O-N 2.73Å; F143-A146 PolarHBondContact O-N 2.02Å; D144-A146 PolarHBondContact O-N 3.34Å; A146-L150 WeakPolarHBondContact O-CB 3.17Å; A146-L150 PolarHBondContact O-N 3.06Å |
| 147 | L | 81.1 | Confident | 66.5 | Low | 77 Ų | 77 | 107.7 Ų | 107.7 | 40% | 0.403 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71 | -42.5 | 176.6 | -176.7 | 68.2 | 0 | 0 | 0 | 111 | F143 D144 K149 L150 L151 | F143-L147 VanDerWaalsContact O-CB 3.26Å; F143-L147 WeakPolarHBondContact O-CB 3.13Å; F143-L147 PolarHBondContact O-N 3.41Å; D144-L147 PolarHBondContact O-N 2.03Å; L147-K149 VanDerWaalsContact C-N 3.35Å; L147-L150 PolarHBondContact O-N 3.33Å; L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.43Å |
| 148 | E | 79.1 | Confident | 66.5 | Low | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.1 | -44.8 | 174.8 | -172.7 | 163.5 | -156.5 | 0 | 0 | 110.5 | D144 L150 L151 E152 | D144-E148 WeakPolarHBondContact O-CB 2.98Å; D144-E148 PolarHBondContact O-N 3.17Å; E148-L150 VanDerWaalsContact C-N 3.35Å; E148-L150 PolarHBondContact O-N 3.13Å; E148-L151 CarbonylContact O-C 3.38Å; E148-L151 WeakPolarHBondContact O-CB 3.39Å; E148-L151 PolarHBondContact O-N 2.98Å; E148-L151 VanDerWaalsContact O-N 3.16Å; E148-E152 WeakPolarHBondContact O-CG 3.34Å; E148-E152 PolarHBondContact O-N 3.04Å |
| 149 | K | 80.5 | Confident | 66.4 | Low | 140 Ų | 140 | 107.3 Ų | 107.3 | 61% | 0.609 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.7 | -37.2 | 175.4 | -150.6 | 171.1 | -164.5 | 169 | 0 | 112.7 | D145 L147 E152 I153 | D145-K149 VanDerWaalsContact O-CB 3.29Å; D145-K149 WeakPolarHBondContact O-CB 3.21Å; D145-K149 PolarHBondContact O-N 3.25Å; L147-K149 VanDerWaalsContact C-N 3.35Å; K149-E152 PolarHBondContact O-N 3.09Å; K149-I153 WeakPolarHBondContact O-CB 3.32Å; K149-I153 VanDerWaalsContact O-CD1 3.32Å; K149-I153 WeakPolarHBondContact O-CD1 3.38Å; K149-I153 WeakPolarHBondContact O-CG1 3.49Å; K149-I153 PolarHBondContact O-N 2.66Å |
| 150 | L | 77.5 | Confident | 66.4 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -39.4 | 172.7 | -93.4 | 169.3 | 0 | 0 | 0 | 112.4 | A146 L147 E148 E152 I153 S154 | A146-L150 WeakPolarHBondContact O-CB 3.17Å; A146-L150 PolarHBondContact O-N 3.06Å; L147-L150 PolarHBondContact O-N 3.33Å; E148-L150 VanDerWaalsContact C-N 3.35Å; E148-L150 PolarHBondContact O-N 3.13Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-I153 PolarHBondContact O-N 3.35Å; L150-S154 WeakPolarHBondContact O-CB 3.16Å; L150-S154 PolarHBondContact O-N 2.96Å; L150-S154 PolarHBondContact O-OG 3.47Å; L150-S154 VanDerWaalsContact O-OG 3.08Å |
| 151 | L | 72.2 | Confident | 66.2 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 58% | 0.581 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.1 | -31.6 | 175.3 | -79.5 | 164.6 | 0 | 0 | 0 | 112.1 | L147 E148 S154 | L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.43Å; E148-L151 CarbonylContact O-C 3.38Å; E148-L151 WeakPolarHBondContact O-CB 3.39Å; E148-L151 PolarHBondContact O-N 2.98Å; E148-L151 VanDerWaalsContact O-N 3.16Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 CarbonylContact O-C 3.59Å; L151-S154 PolarHBondContact O-OG 3.03Å |
| 152 | E | 69.8 | Low | 66.2 | Low | 131 Ų | 131 | 116 Ų | 116 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.4 | -40.4 | 172.2 | -73 | -176.7 | 161.9 | 0 | 0 | 112.6 | E148 K149 L150 | E148-E152 WeakPolarHBondContact O-CG 3.34Å; E148-E152 PolarHBondContact O-N 3.04Å; K149-E152 PolarHBondContact O-N 3.09Å; L150-E152 VanDerWaalsContact C-N 3.3Å |
| 153 | I | 70.1 | Confident | 65.8 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 66% | 0.656 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.1 | -40.2 | 176 | -69 | 161.6 | 0 | 0 | 0 | 110.5 | K149 L150 N155 | K149-I153 WeakPolarHBondContact O-CB 3.32Å; K149-I153 VanDerWaalsContact O-CD1 3.32Å; K149-I153 WeakPolarHBondContact O-CD1 3.38Å; K149-I153 WeakPolarHBondContact O-CG1 3.49Å; K149-I153 PolarHBondContact O-N 2.66Å; L150-I153 PolarHBondContact O-N 3.35Å; I153-N155 PolarHBondContact O-N 3.31Å |
| 154 | S | 63.4 | Low | 65 | Low | 48 Ų | 48 | 116 Ų | 116 | 34% | 0.336 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -74.9 | 79.2 | 167.8 | 72.2 | 0 | 0 | 0 | 0 | 108.2 | L150 L151 I156 | L150-S154 WeakPolarHBondContact O-CB 3.16Å; L150-S154 PolarHBondContact O-N 2.96Å; L150-S154 PolarHBondContact O-OG 3.47Å; L150-S154 VanDerWaalsContact O-OG 3.08Å; L151-S154 WeakPolarHBondContact CA-OG 3.29Å; L151-S154 CarbonylContact O-C 3.59Å; L151-S154 PolarHBondContact O-OG 3.03Å; S154-I156 PolarHBondContact O-N 3.43Å |
| 155 | N | 55.6 | Low | 64.4 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 66% | 0.658 | 64% | 0.635 | S | S | * | * | trans | -59.5 | 65.3 | 163.9 | -98.7 | -37.6 | 0 | 0 | 0 | 110.2 | I153 Q157 | I153-N155 PolarHBondContact O-N 3.31Å; N155-Q157 HydrophobicContact CB-CG 4.26Å; N155-Q157 PolarHBondContact O-N 2.99Å | ||
| 156 | I | 57.1 | Low | 63.9 | Low | 122 Ų | 122 | 118.9 Ų | 118.9 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | trans | -73.9 | 67.1 | 162.1 | -53.5 | 173.1 | 0 | 0 | 0 | 104.7 | S154 G158 | S154-I156 PolarHBondContact O-N 3.43Å; I156-G158 PolarHBondContact O-N 3.07Å | ||
| 157 | Q | 45.5 | Very low | 63.4 | Low | 165 Ų | 165 | 125.1 Ų | 125.1 | 77% | 0.771 | 66% | 0.661 | S | S | * | * | trans | -62.5 | 100.9 | 166.3 | -69.8 | 179.9 | -20.9 | 0 | 0 | 106.2 | N155 | N155-Q157 HydrophobicContact CB-CG 4.26Å; N155-Q157 PolarHBondContact O-N 2.99Å | ||
| 158 | G | 54.3 | Low | 62.3 | Low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 121.3 | -9.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | I156 | I156-G158 PolarHBondContact O-N 3.07Š|
| 159 | E | 48.8 | Very low | 61.5 | Low | 144 Ų | 144 | 132 Ų | 132 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -130.6 | 113.2 | -172.3 | -57.7 | -163.8 | 163.3 | 0 | 0 | 112.4 | ||
| 160 | H | 51.9 | Low | 60.8 | Low | 137 Ų | 137 | 131 Ų | 131 | 63% | 0.634 | 69% | 0.694 | S | S | * | * | trans | 97.8 | 8.5 | 162.9 | -42.9 | -55.6 | 0 | 0 | 0 | 121.4 | G162 L163 | H160-G162 PolarHBondContact O-N 2.73Å; H160-L163 HydrophobicContact CB-CD1 3.95Å; H160-L163 HydrophobicContact CB-CG 4.34Å; H160-L163 WeakPolarHBondContact ND1-CD1 3.28Å | ||
| 161 | K | 54.5 | Low | 60.1 | Low | 219 Ų | 219 | 134.6 Ų | 134.6 | 95% | 0.952 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 79.2 | 163.4 | -65.2 | -172.7 | -175.2 | -173.8 | 0 | 110.3 | ||
| 162 | G | 59.6 | Low | 59.5 | Low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155.8 | 0.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | H160 V164 | H160-G162 PolarHBondContact O-N 2.73Å; G162-V164 PolarHBondContact O-N 2.89Å |
| 163 | L | 58.3 | Low | 59.1 | Low | 141 Ų | 141 | 140.5 Ų | 140.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | -77.5 | 65.9 | 174.8 | -66 | 179.4 | 0 | 0 | 0 | 111.4 | H160 A165 | H160-L163 HydrophobicContact CB-CD1 3.95Å; H160-L163 HydrophobicContact CB-CG 4.34Å; H160-L163 WeakPolarHBondContact ND1-CD1 3.28Å; L163-A165 PolarHBondContact O-N 3.28Å | ||
| 164 | V | 57.6 | Low | 58.4 | Low | 133 Ų | 133 | 143.6 Ų | 143.6 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | -75.4 | 103.7 | 157.6 | 178.3 | 0 | 0 | 0 | 0 | 106.2 | G162 K166 | G162-V164 PolarHBondContact O-N 2.89Å; V164-K166 PolarHBondContact O-N 3.43Å | ||
| 165 | A | 60.6 | Low | 57.9 | Low | 88 Ų | 88 | 152.1 Ų | 152.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -56.4 | 110 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L163 K167 | L163-A165 PolarHBondContact O-N 3.28Å; A165-K167 PolarHBondContact O-N 3.23Å | ||
| 166 | K | 66 | Low | 57.7 | Low | 173 Ų | 173 | 158.4 Ų | 158.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -55.2 | 111.1 | 167.3 | -114.2 | 175.1 | 178.2 | 170.7 | 0 | 106.8 | V164 F168 | V164-K166 PolarHBondContact O-N 3.43Å; K166-F168 VanDerWaalsContact C-N 3.31Å; K166-F168 HydrophobicContact CB-CD2 4.43Å; K166-F168 HydrophobicContact CB-CE2 4.21Å; K166-F168 WeakPolarHBondContact O-CD2 3.43Å; K166-F168 PolarHBondContact O-N 3.21Å | ||
| 167 | K | 67.3 | Low | 57.6 | Low | 179 Ų | 179 | 157.7 Ų | 157.7 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 98 | 167.5 | -79.3 | -175.7 | 177.5 | 179.2 | 0 | 107.4 | A165 H169 | A165-K167 PolarHBondContact O-N 3.23Å; K167-H169 PolarHBondContact O-N 2.67Å | ||
| 168 | F | 58.9 | Low | 58.1 | Low | 176 Ų | 176 | 153.7 Ų | 153.7 | 77% | 0.772 | 78% | 0.777 | S | S | * | * | trans | -68.7 | 101.1 | 169 | -81.3 | -89.7 | 0 | 0 | 0 | 107.8 | K166 V170 | K166-F168 VanDerWaalsContact C-N 3.31Å; K166-F168 HydrophobicContact CB-CD2 4.43Å; K166-F168 HydrophobicContact CB-CE2 4.21Å; K166-F168 WeakPolarHBondContact O-CD2 3.43Å; K166-F168 PolarHBondContact O-N 3.21Å; F168-V170 PolarHBondContact O-N 3.03Å | ||
| 169 | H | 62.4 | Low | 58 | Low | 163 Ų | 163 | 156.1 Ų | 156.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -69.9 | 83.4 | 164.2 | -60.9 | -73.5 | 0 | 0 | 0 | 108.4 | K167 K171 | K167-H169 PolarHBondContact O-N 2.67Å; H169-K171 VanDerWaalsContact C-N 3.29Å; H169-K171 PolarHBondContact O-N 2.78Å | ||
| 170 | V | 64.8 | Low | 58.2 | Low | 121 Ų | 121 | 157.2 Ų | 157.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -68.4 | 96.9 | 164.2 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | F168 R172 | F168-V170 PolarHBondContact O-N 3.03Å; V170-R172 PolarHBondContact O-N 3.1Å | ||
| 171 | K | 63.1 | Low | 58.5 | Low | 186 Ų | 186 | 161.9 Ų | 161.9 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | -59.5 | 103 | 166.3 | -70.7 | -178.2 | 179.9 | 177 | 0 | 106.5 | H169 V173 | H169-K171 VanDerWaalsContact C-N 3.29Å; H169-K171 PolarHBondContact O-N 2.78Å; K171-V173 PolarHBondContact O-N 2.75Å | ||
| 172 | R | 60.2 | Low | 58.7 | Low | 234 Ų | 234 | 159.5 Ų | 159.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -57.1 | 103.4 | 166.5 | -83.6 | -176.2 | 178.5 | 169.5 | 0.2 | 107.3 | V170 K174 | V170-R172 PolarHBondContact O-N 3.1Å; R172-K174 VanDerWaalsContact C-N 3.35Å; R172-K174 PolarHBondContact O-N 2.84Å | ||
| 173 | V | 60.1 | Low | 58.5 | Low | 132 Ų | 132 | 161.5 Ų | 161.5 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -62 | 103.6 | 163 | -179.2 | 0 | 0 | 0 | 0 | 105.1 | K171 R175 | K171-V173 PolarHBondContact O-N 2.75Å; V173-R175 PolarHBondContact O-N 3.46Å | ||
| 174 | K | 57.2 | Low | 58.2 | Low | 192 Ų | 192 | 165.2 Ų | 165.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -55.3 | 106.6 | 171.4 | -82.2 | -176.5 | 175.9 | 178.7 | 0 | 106.7 | R172 R176 | R172-K174 VanDerWaalsContact C-N 3.35Å; R172-K174 PolarHBondContact O-N 2.84Å; K174-R176 PolarHBondContact O-N 3.19Å | ||
| 175 | R | 52.6 | Low | 57.9 | Low | 228 Ų | 228 | 163.3 Ų | 163.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -55.7 | 108.9 | 168 | -76.3 | -174 | 173.9 | 161.2 | -1.6 | 106.8 | V173 S177 | V173-R175 PolarHBondContact O-N 3.46Å; R175-S177 PolarHBondContact O-N 3.05Å | ||
| 176 | R | 50.6 | Low | 57.5 | Low | 255 Ų | 255 | 161.8 Ų | 161.8 | 96% | 0.962 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -70.1 | 80.7 | 172.5 | -75.2 | 176.8 | 143.9 | 152.9 | -5.7 | 107.7 | K174 | K174-R176 PolarHBondContact O-N 3.19Š|
| 177 | S | 54.2 | Low | 57 | Low | 106 Ų | 106 | 156.7 Ų | 156.7 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -162.6 | 52.4 | 168.2 | 58 | 0 | 0 | 0 | 0 | 110.5 | R175 | R175-S177 PolarHBondContact O-N 3.05Š| ||
| 178 | A | 56.4 | Low | 56.4 | Low | 82 Ų | 82 | 154.8 Ų | 154.8 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -138.4 | 134.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | F180 | A178-F180 PolarHBondContact O-N 3.12Š|
| 179 | P | 53.7 | Low | 56.4 | Low | 125 Ų | 125 | 150.2 Ų | 150.2 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -59.7 | 118.6 | -176.2 | 24.4 | -31.6 | 0 | 0 | 0 | 108.6 | R181 | P179-R181 VanDerWaalsContact C-N 3.31Å; P179-R181 PolarHBondContact O-N 3.26Å | ||
| 180 | F | 52.8 | Low | 56.3 | Low | 167 Ų | 167 | 147.5 Ų | 147.5 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | trans | -58.9 | 93.4 | 172.9 | -179.2 | -104.1 | 0 | 0 | 0 | 108.3 | A178 K182 | A178-F180 PolarHBondContact O-N 3.12Å; F180-K182 VanDerWaalsContact C-N 3.34Å; F180-K182 HydrophobicContact CD1-CG 3.82Å; F180-K182 HydrophobicContact CE1-CB 4.42Å; F180-K182 HydrophobicContact CE1-CG 3.67Å; F180-K182 PolarHBondContact O-N 3.47Å | ||
| 181 | R | 57.9 | Low | 56.1 | Low | 234 Ų | 234 | 148.8 Ų | 148.8 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -64.9 | 102 | 161.7 | -74.3 | -170.5 | 177.4 | -168.9 | -0 | 105.9 | P179 P183 | P179-R181 VanDerWaalsContact C-N 3.31Å; P179-R181 PolarHBondContact O-N 3.26Å; R181-P183 WeakPolarHBondContact O-CD 3.31Å | ||
| 182 | K | 59 | Low | 56.1 | Low | 170 Ų | 170 | 144.6 Ų | 144.6 | 74% | 0.739 | 71% | 0.71 | S | S | * | * | trans | -49.7 | 121.2 | 167.1 | -71.1 | 178.7 | 178.2 | -178.2 | 0 | 106.7 | F180 Y184 | F180-K182 VanDerWaalsContact C-N 3.34Å; F180-K182 HydrophobicContact CD1-CG 3.82Å; F180-K182 HydrophobicContact CE1-CB 4.42Å; F180-K182 HydrophobicContact CE1-CG 3.67Å; F180-K182 PolarHBondContact O-N 3.47Å; K182-Y184 PolarHBondContact O-N 3.4Å | ||
| 183 | P | 53.9 | Low | 56.2 | Low | 107 Ų | 107 | 141.8 Ų | 141.8 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | trans | -61.7 | 115.2 | 161.4 | 26.2 | -28.6 | 0 | 0 | 0 | 104.7 | R181 S185 | R181-P183 WeakPolarHBondContact O-CD 3.31Å; P183-S185 PolarHBondContact O-N 3.15Å | ||
| 184 | Y | 52.2 | Low | 56.4 | Low | 219 Ų | 219 | 139.8 Ų | 139.8 | 86% | 0.859 | 69% | 0.688 | S | S | * | * | trans | -59.5 | 99.4 | 168.1 | -164.3 | -94.8 | 0 | 0 | 0 | 105 | K182 S186 | K182-Y184 PolarHBondContact O-N 3.4Å; Y184-S186 PolarHBondContact O-N 3.11Å | ||
| 185 | S | 52.6 | Low | 56.7 | Low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | trans | -64.3 | 92.6 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 106.1 | P183 S187 | P183-S185 PolarHBondContact O-N 3.15Å; S185-S187 PolarHBondContact O-N 2.91Å; S185-S187 WeakPolarHBondContact OG-CB 3.41Å | ||
| 186 | S | 50.7 | Low | 57.5 | Low | 55 Ų | 55 | 131.8 Ų | 131.8 | 39% | 0.385 | 67% | 0.669 | S | S | . | * | trans | -77.3 | 52.3 | 168.2 | 87.2 | 0 | 0 | 0 | 0 | 108.1 | Y184 L188 T189 I190 | Y184-S186 PolarHBondContact O-N 3.11Å; S186-L188 PolarHBondContact O-N 3.3Å; S186-T189 WeakPolarHBondContact CB-OG1 3.43Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 PolarHBondContact O-OG1 2.96Å; S186-T189 PolarHBondContact OG-OG1 3.14Å; S186-T189 VanDerWaalsContact OG-OG1 3.07Å; S186-I190 PolarHBondContact O-N 3.36Å | ||
| 187 | S | 56.1 | Low | 58.4 | Low | 66 Ų | 66 | 122.4 Ų | 122.4 | 46% | 0.462 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -57.6 | -29.7 | 173.8 | 154 | 0 | 0 | 0 | 0 | 110.9 | S185 | S185-S187 PolarHBondContact O-N 2.91Å; S185-S187 WeakPolarHBondContact OG-CB 3.41Å |
| 188 | L | 54.3 | Low | 59.5 | Low | 139 Ų | 139 | 121.6 Ų | 121.6 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.8 | -29 | 174.5 | -73.8 | 149.9 | 0 | 0 | 0 | 112.9 | S186 N192 | S186-L188 PolarHBondContact O-N 3.3Å; L188-N192 PolarHBondContact O-N 3.44Å |
| 189 | T | 58.9 | Low | 60.3 | Low | 80 Ų | 80 | 127.4 Ų | 127.4 | 49% | 0.491 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -80.7 | -30.4 | -177.1 | -18.8 | 0 | 0 | 0 | 0 | 112.6 | S186 N192 K193 | S186-T189 WeakPolarHBondContact CB-OG1 3.43Å; S186-T189 PolarHBondContact O-N 3.38Å; S186-T189 PolarHBondContact O-OG1 2.96Å; S186-T189 PolarHBondContact OG-OG1 3.14Å; S186-T189 VanDerWaalsContact OG-OG1 3.07Å; T189-N192 PolarHBondContact O-N 3.21Å; T189-K193 VanDerWaalsContact O-CB 3.24Å; T189-K193 WeakPolarHBondContact O-CB 3.3Å; T189-K193 PolarHBondContact O-N 3.29Å |
| 190 | I | 60.5 | Low | 61 | Low | 106 Ų | 106 | 127.1 Ų | 127.1 | 54% | 0.544 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.4 | -43.5 | 177.8 | -63.3 | 172.5 | 0 | 0 | 0 | 110 | S186 N192 K193 I194 | S186-I190 PolarHBondContact O-N 3.36Å; I190-N192 VanDerWaalsContact C-N 3.34Å; I190-N192 PolarHBondContact O-N 3.35Å; I190-K193 PolarHBondContact O-N 3.3Å; I190-I194 HydrophobicContact CG2-CD1 3.63Å; I190-I194 HydrophobicContact CG2-CG1 4.33Å; I190-I194 WeakPolarHBondContact O-CD1 3.33Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.39Å |
| 191 | K | 62 | Low | 61.8 | Low | 148 Ų | 148 | 130.4 Ų | 130.4 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.7 | -42.9 | 174.8 | -73.2 | -174.3 | 179 | -179.5 | 0 | 111.8 | I194 M195 | K191-I194 PolarHBondContact O-N 3.46Å; K191-M195 WeakPolarHBondContact O-CB 3.28Å; K191-M195 WeakPolarHBondContact O-CG 3.2Å; K191-M195 PolarHBondContact O-N 2.96Å |
| 192 | N | 61.9 | Low | 62.7 | Low | 98 Ų | 98 | 122.5 Ų | 122.5 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.4 | -36.5 | 178.2 | -70.4 | -8.9 | 0 | 0 | 0 | 112.9 | L188 T189 I190 M195 N196 | L188-N192 PolarHBondContact O-N 3.44Å; T189-N192 PolarHBondContact O-N 3.21Å; I190-N192 VanDerWaalsContact C-N 3.34Å; I190-N192 PolarHBondContact O-N 3.35Å; N192-M195 PolarHBondContact O-N 3.31Å; N192-N196 WeakPolarHBondContact O-CB 3.09Å; N192-N196 PolarHBondContact O-N 3.01Å |
| 193 | K | 61.7 | Low | 63.6 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.3 | -30.4 | 178.4 | -162 | 171.9 | -174 | 179.1 | 0 | 113.1 | T189 I190 | T189-K193 VanDerWaalsContact O-CB 3.24Å; T189-K193 WeakPolarHBondContact O-CB 3.3Å; T189-K193 PolarHBondContact O-N 3.29Å; I190-K193 PolarHBondContact O-N 3.3Å |
| 194 | I | 64.6 | Low | 64.5 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 46% | 0.462 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -79.9 | -36.6 | 174.6 | -56.3 | 166.2 | 0 | 0 | 0 | 110.1 | I190 K191 R204 | I190-I194 HydrophobicContact CG2-CD1 3.63Å; I190-I194 HydrophobicContact CG2-CG1 4.33Å; I190-I194 WeakPolarHBondContact O-CD1 3.33Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.39Å; K191-I194 PolarHBondContact O-N 3.46Å; I194-R204 PolarHBondContact O-NH2 2.76Å |
| 195 | M | 64.7 | Low | 65.5 | Low | 123 Ų | 123 | 122 Ų | 122 | 61% | 0.606 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.5 | -33.5 | 179.6 | -69.6 | -69.1 | -69.9 | 0 | 0 | 113.4 | K191 N192 R204 | K191-M195 WeakPolarHBondContact O-CB 3.28Å; K191-M195 WeakPolarHBondContact O-CG 3.2Å; K191-M195 PolarHBondContact O-N 2.96Å; N192-M195 PolarHBondContact O-N 3.31Å; M195-R204 VanDerWaalsContact N-NH2 3.14Å; M195-R204 VanDerWaalsContact SD-CZ 3.59Å; M195-R204 PolarHBondContact SD-NH1 3.41Å; M195-R204 PolarHBondContact SD-NH2 3.41Å |
| 196 | N | 68.6 | Low | 66.7 | Low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 39.2 | -175.6 | -65.2 | -2.4 | 0 | 0 | 0 | 112.5 | N192 P198 | N192-N196 WeakPolarHBondContact O-CB 3.09Å; N192-N196 PolarHBondContact O-N 3.01Å; N196-P198 WeakPolarHBondContact O-CD 3.24Å |
| 197 | N | 70.5 | Confident | 67.7 | Low | 58 Ų | 58 | 131.3 Ų | 131.3 | 31% | 0.31 | 66% | 0.656 | S | S | . | * | trans | -78 | 110.4 | 172.3 | -175.4 | -17 | 0 | 0 | 0 | 109.4 | Y199 L200 | N197-Y199 PolarHBondContact O-N 3.42Å; N197-Y199 VanDerWaalsContact O-N 3.07Å; N197-Y199 WeakPolarHBondContact OD1-CB 3.42Å; N197-Y199 WeakPolarHBondContact OD1-CD2 3.02Å; N197-Y199 PolarHBondContact OD1-N 3.19Å; N197-L200 HydrophobicContact CB-CB 4.16Å; N197-L200 HydrophobicContact CB-CD1 4.03Å; N197-L200 HydrophobicContact CB-CG 4.23Å; N197-L200 VanDerWaalsContact ND2-CD1 3.32Å; N197-L200 WeakPolarHBondContact ND2-CD1 3.49Å; N197-L200 WeakPolarHBondContact ND2-CG 3.33Å; N197-L200 PolarHBondContact O-N 3.25Å; N197-L200 VanDerWaalsContact O-N 3.15Å | ||
| 198 | P | 76.1 | Confident | 68 | Low | 88 Ų | 88 | 135.6 Ų | 135.6 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -14.5 | -176.7 | 27.8 | -34.8 | 0 | 0 | 0 | 113.6 | N196 | N196-P198 WeakPolarHBondContact O-CD 3.24Š|
| 199 | Y | 72.6 | Confident | 68.5 | Low | 204 Ų | 204 | 132.9 Ų | 132.9 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -13.7 | 180 | -53.6 | -75.4 | 0 | 0 | 0 | 113.9 | N197 R201 | N197-Y199 PolarHBondContact O-N 3.42Å; N197-Y199 VanDerWaalsContact O-N 3.07Å; N197-Y199 WeakPolarHBondContact OD1-CB 3.42Å; N197-Y199 WeakPolarHBondContact OD1-CD2 3.02Å; N197-Y199 PolarHBondContact OD1-N 3.19Å; Y199-R201 PolarHBondContact O-N 3.2Å |
| 200 | L | 68.8 | Low | 68.7 | Low | 120 Ų | 120 | 138.9 Ų | 138.9 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | trans | -101.2 | 76.2 | 177.7 | -69.6 | 172.8 | 0 | 0 | 0 | 110.1 | N197 G202 | N197-L200 HydrophobicContact CB-CB 4.16Å; N197-L200 HydrophobicContact CB-CD1 4.03Å; N197-L200 HydrophobicContact CB-CG 4.23Å; N197-L200 VanDerWaalsContact ND2-CD1 3.32Å; N197-L200 WeakPolarHBondContact ND2-CD1 3.49Å; N197-L200 WeakPolarHBondContact ND2-CG 3.33Å; N197-L200 PolarHBondContact O-N 3.25Å; N197-L200 VanDerWaalsContact O-N 3.15Å; L200-G202 PolarHBondContact O-N 2.77Å | ||
| 201 | R | 71 | Confident | 68.7 | Low | 236 Ų | 236 | 141.5 Ų | 141.5 | 89% | 0.891 | 70% | 0.697 | S | S | * | * | trans | -87.2 | 96.9 | 173.2 | -62.8 | -177.9 | -173.9 | 172.9 | -0.7 | 108.8 | Y199 | Y199-R201 PolarHBondContact O-N 3.2Š| ||
| 202 | G | 77 | Confident | 68.3 | Low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 165.5 | 162.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L200 R204 | L200-G202 PolarHBondContact O-N 2.77Å; G202-R204 PolarHBondContact O-N 2.97Å |
| 203 | Q | 77.8 | Confident | 68.3 | Low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 129.3 | 173.4 | -174.2 | 177 | 2.1 | 0 | 0 | 109.4 | L205 | Q203-L205 PolarHBondContact O-N 3.18Š|
| 204 | R | 72.5 | Confident | 68 | Low | 139 Ų | 139 | 139.6 Ų | 139.6 | 53% | 0.525 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 122.2 | 172.8 | -71.8 | -170.6 | -175.2 | 132.7 | 6.8 | 109.7 | I194 M195 G202 | I194-R204 PolarHBondContact O-NH2 2.76Å; M195-R204 VanDerWaalsContact N-NH2 3.14Å; M195-R204 VanDerWaalsContact SD-CZ 3.59Å; M195-R204 PolarHBondContact SD-NH1 3.41Å; M195-R204 PolarHBondContact SD-NH2 3.41Å; G202-R204 PolarHBondContact O-N 2.97Å |
| 205 | L | 73 | Confident | 67.4 | Low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.1 | 169 | -62.1 | 175.8 | 0 | 0 | 0 | 108.9 | Q203 V207 | Q203-L205 PolarHBondContact O-N 3.18Å; L205-V207 PolarHBondContact O-N 3.26Å |
| 206 | K | 76.8 | Confident | 66.7 | Low | 197 Ų | 197 | 143.3 Ų | 143.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 125 | 170.9 | -74.3 | 179 | 178.9 | 175.1 | 0 | 107.3 | I208 | K206-I208 PolarHBondContact O-N 3.26Š|
| 207 | V | 72.4 | Confident | 66.6 | Low | 146 Ų | 146 | 144 Ų | 144 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -64.4 | 103.5 | 174.4 | -152.8 | 0 | 0 | 0 | 0 | 106.7 | L205 A209 | L205-V207 PolarHBondContact O-N 3.26Å; V207-A209 PolarHBondContact O-N 3.45Å; V207-A209 VanDerWaalsContact O-N 3.11Å | ||
| 208 | I | 62.2 | Low | 66.4 | Low | 156 Ų | 156 | 148.5 Ų | 148.5 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 99.9 | 170.3 | -62.9 | 170.7 | 0 | 0 | 0 | 104.8 | K206 K210 | K206-I208 PolarHBondContact O-N 3.26Å; I208-K210 PolarHBondContact O-N 2.81Å | ||
| 209 | A | 64.1 | Low | 65.9 | Low | 83 Ų | 83 | 151.8 Ų | 151.8 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58 | 130.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | V207 K211 | V207-A209 PolarHBondContact O-N 3.45Å; V207-A209 VanDerWaalsContact O-N 3.11Å; A209-K211 PolarHBondContact O-N 3.27Å; A209-K211 VanDerWaalsContact O-N 3.14Å |
| 210 | K | 64.8 | Low | 65.5 | Low | 206 Ų | 206 | 148.8 Ų | 148.8 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 120.2 | 176.6 | -169.2 | 174.5 | -178.3 | 176.4 | 0 | 108.8 | I208 G212 | I208-K210 PolarHBondContact O-N 2.81Å; K210-G212 PolarHBondContact O-N 3.12Å |
| 211 | K | 59.9 | Low | 65.3 | Low | 160 Ų | 160 | 150.6 Ų | 150.6 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125 | 179.7 | -153.9 | 173.4 | -167.7 | 179.2 | 0 | 108.5 | A209 Y214 | A209-K211 PolarHBondContact O-N 3.27Å; A209-K211 VanDerWaalsContact O-N 3.14Å; K211-Y214 HydrophobicContact CD-CE2 4.35Å; K211-Y214 WeakPolarHBondContact CE-OH 3.2Å; K211-Y214 PolarHBondContact NZ-OH 3.24Å |
| 212 | G | 54.2 | Low | 64.9 | Low | 56 Ų | 56 | 144.9 Ų | 144.9 | 58% | 0.577 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 156.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | K210 Y214 | K210-G212 PolarHBondContact O-N 3.12Å; G212-Y214 PolarHBondContact O-N 3.02Å |
| 213 | T | 61.6 | Low | 64 | Low | 142 Ų | 142 | 150.4 Ų | 150.4 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 127.1 | 177.9 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | A215 | T213-A215 PolarHBondContact O-N 3.27Š|
| 214 | Y | 55.4 | Low | 63 | Low | 183 Ų | 183 | 147.6 Ų | 147.6 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | trans | -72 | 115.8 | 163.4 | -63.6 | -85 | 0 | 0 | 0 | 108.2 | K211 G212 | K211-Y214 HydrophobicContact CD-CE2 4.35Å; K211-Y214 WeakPolarHBondContact CE-OH 3.2Å; K211-Y214 PolarHBondContact NZ-OH 3.24Å; G212-Y214 PolarHBondContact O-N 3.02Å | ||
| 215 | A | 51.5 | Low | 62.2 | Low | 95 Ų | 95 | 148.3 Ų | 148.3 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -96.5 | 121.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | T213 | T213-A215 PolarHBondContact O-N 3.27Š| ||
| 216 | S | 50.7 | Low | 61.2 | Low | 196 Ų | 196 | 147.3 Ų | 147.3 | 100% | 1.371 | 83% | 0.831 | S | S | * | * | trans | -146.7 | 0 | 158.2 | -69.3 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 216 of 216 residues in 130.5 ms
(Link to these results)