| 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 | 32.3 | Very low | 32 | Very low | 251 Ų | 251 | 137.5 Ų | 137.5 | 100% | 1.236 | 88% | 0.875 | S | S | * | * | 0 | 160.5 | 0 | -83.7 | 168.5 | 163.7 | 0 | 0 | 109 | |||||
| 2 | T | 34.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 86% | 0.864 | S | S | * | * | trans | -66.9 | 141.1 | -175.8 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | L | 31 | Very low | 32.5 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 91% | 0.906 | 86% | 0.861 | S | S | * | * | -163.6 | 169 | 105.2 | -121.3 | 83.4 | 0 | 0 | 0 | 109 | |||||
| 4 | G | 33.1 | Very low | 32.6 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -133.4 | 170.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 5 | G | 29.4 | Very low | 33.1 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -141.7 | 155.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 6 | R | 30.3 | Very low | 33.5 | Very low | 250 Ų | 250 | 123.8 Ų | 123.8 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -90.8 | 147.3 | -171 | -73 | 177.4 | 172.1 | 147.1 | -3.7 | 113.5 | ||||
| 7 | V | 34.6 | Very low | 33.8 | Very low | 148 Ų | 148 | 123.4 Ų | 123.4 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -70.6 | 142.2 | 157.5 | 177 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | A | 32.2 | Very low | 34.3 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -130.2 | 148.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 9 | S | 31.2 | Very low | 34.9 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -66.4 | 153.5 | -169.2 | -173.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 10 | G | 29.8 | Very low | 35.6 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -157.7 | 42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 11 | S | 33.3 | Very low | 36.2 | Very low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -132.4 | 94.1 | -177.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | G | 36.1 | Very low | 36.9 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | -159.6 | 28.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 13 | M | 34.2 | Very low | 37.6 | Very low | 167 Ų | 167 | 114 Ų | 114 | 82% | 0.823 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -124.6 | -6.4 | -178.8 | -74.2 | 170.6 | 63.9 | 0 | 0 | 115.3 | ||
| 14 | G | 34.5 | Very low | 38.6 | Very low | 56 Ų | 56 | 113 Ų | 113 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -78.1 | -28.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 15 | S | 40.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 114.3 Ų | 114.3 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -79.8 | -39.3 | -166.1 | -49.2 | 0 | 0 | 0 | 0 | 114.3 | L19 | S15-L19 PolarHBondContact O-N 3.5Å |
| 16 | S | 39.3 | Very low | 40.4 | Very low | 72 Ų | 72 | 115.2 Ų | 115.2 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.5 | -36.5 | 178.9 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | Q18 L19 H20 | S16-Q18 PolarHBondContact O-N 3.06Å; S16-L19 PolarHBondContact O-N 3.49Å; S16-H20 PolarHBondContact O-CD2 3.39Å; S16-H20 PolarHBondContact O-N 3.35Å |
| 17 | L | 37.8 | Very low | 41.6 | Very low | 117 Ų | 117 | 108 Ų | 108 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.3 | -36.5 | -178.7 | -148.3 | 78.6 | 0 | 0 | 0 | 112 | N21 | L17-N21 WeakPolarHBondContact O-CB 3.25Å; L17-N21 PolarHBondContact O-N 3.46Å; L17-N21 VanDerWaalsContact O-N 3.17Å; L17-N21 PolarHBondContact O-ND2 2.9Å |
| 18 | Q | 43.5 | Very low | 42.2 | Very low | 157 Ų | 157 | 104.2 Ų | 104.2 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.3 | -35.6 | 174.9 | -74.5 | -161.7 | -27.3 | 0 | 0 | 113 | S16 N21 L22 | S16-Q18 PolarHBondContact O-N 3.06Å; Q18-N21 PolarHBondContact O-N 2.94Å; Q18-L22 WeakPolarHBondContact O-CB 3.24Å; Q18-L22 PolarHBondContact O-N 3.3Å |
| 19 | L | 45.6 | Very low | 43 | Very low | 102 Ų | 102 | 104.3 Ų | 104.3 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.9 | -50.5 | 176.7 | -167.5 | 67.6 | 0 | 0 | 0 | 111 | S15 S16 N21 L22 D23 | S15-L19 PolarHBondContact O-N 3.5Å; S16-L19 PolarHBondContact O-N 3.49Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.02Å; L19-L22 PolarHBondContact O-N 3.1Å; L19-D23 PolarHBondContact O-N 3.49Å |
| 20 | H | 49.5 | Very low | 43.9 | Very low | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.625 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.9 | -38.7 | 176.2 | -88.3 | -73.3 | 0 | 0 | 0 | 113.3 | S16 F24 | S16-H20 PolarHBondContact O-CD2 3.39Å; S16-H20 PolarHBondContact O-N 3.35Å; H20-F24 VanDerWaalsContact O-CB 3.24Å; H20-F24 WeakPolarHBondContact O-CB 3.47Å; H20-F24 PolarHBondContact O-N 3.22Å |
| 21 | N | 46.5 | Very low | 44.7 | Very low | 91 Ų | 91 | 100.5 Ų | 100.5 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -34.1 | 175.8 | -82.9 | -72.4 | 0 | 0 | 0 | 112.4 | L17 Q18 L19 L25 | L17-N21 WeakPolarHBondContact O-CB 3.25Å; L17-N21 PolarHBondContact O-N 3.46Å; L17-N21 VanDerWaalsContact O-N 3.17Å; L17-N21 PolarHBondContact O-ND2 2.9Å; Q18-N21 PolarHBondContact O-N 2.94Å; L19-N21 VanDerWaalsContact C-N 3.31Å; L19-N21 PolarHBondContact O-N 3.02Å; N21-L25 WeakPolarHBondContact O-CB 3.44Å; N21-L25 WeakPolarHBondContact O-CD1 3.46Å; N21-L25 PolarHBondContact O-N 3.47Å |
| 22 | L | 48.8 | Very low | 45.3 | Very low | 118 Ų | 118 | 99.1 Ų | 99.1 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.3 | -44.2 | 175.7 | -171.9 | 67.4 | 0 | 0 | 0 | 111.4 | Q18 L19 F24 L25 L26 | Q18-L22 WeakPolarHBondContact O-CB 3.24Å; Q18-L22 PolarHBondContact O-N 3.3Å; L19-L22 PolarHBondContact O-N 3.1Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-L25 PolarHBondContact O-N 2.93Å; L22-L26 WeakPolarHBondContact O-CB 3.33Å; L22-L26 PolarHBondContact O-N 2.78Å |
| 23 | D | 49.4 | Very low | 45.8 | Very low | 71 Ų | 71 | 99.8 Ų | 99.8 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -42.5 | 174.9 | -66.3 | -32.7 | 0 | 0 | 0 | 111 | L19 L26 I27 | L19-D23 PolarHBondContact O-N 3.49Å; D23-L26 PolarHBondContact O-N 3.31Å; D23-I27 WeakPolarHBondContact O-CB 3.46Å; D23-I27 WeakPolarHBondContact O-CD1 3.43Å; D23-I27 VanDerWaalsContact O-CG1 3.24Å; D23-I27 WeakPolarHBondContact O-CG1 3.41Å; D23-I27 PolarHBondContact O-N 3.17Å |
| 24 | F | 51.6 | Low | 46.3 | Very low | 154 Ų | 154 | 93.7 Ų | 93.7 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.6 | -36.1 | 177.7 | -156.9 | -91.9 | 0 | 0 | 0 | 112.5 | H20 L22 S28 | H20-F24 VanDerWaalsContact O-CB 3.24Å; H20-F24 WeakPolarHBondContact O-CB 3.47Å; H20-F24 PolarHBondContact O-N 3.22Å; L22-F24 VanDerWaalsContact C-N 3.34Å; F24-S28 VanDerWaalsContact O-CB 3.23Å; F24-S28 WeakPolarHBondContact O-CB 3.22Å; F24-S28 PolarHBondContact O-N 3.48Å |
| 25 | L | 49 | Very low | 46.4 | Very low | 104 Ų | 104 | 98.5 Ų | 98.5 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 169.9 | -107.2 | 115.4 | 0 | 0 | 0 | 111.7 | N21 L22 S28 L29 | N21-L25 WeakPolarHBondContact O-CB 3.44Å; N21-L25 WeakPolarHBondContact O-CD1 3.46Å; N21-L25 PolarHBondContact O-N 3.47Å; L22-L25 PolarHBondContact O-N 2.93Å; L25-S28 PolarHBondContact O-N 2.95Å; L25-L29 HydrophobicContact CD2-CD1 4.23Å; L25-L29 VanDerWaalsContact O-CD1 3.25Å; L25-L29 WeakPolarHBondContact O-CD1 3.45Å; L25-L29 PolarHBondContact O-N 2.97Å |
| 26 | L | 51.9 | Low | 46.5 | Very low | 100 Ų | 100 | 97.1 Ų | 97.1 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 178.7 | -168.9 | 70.4 | 0 | 0 | 0 | 111.1 | L22 D23 L29 L30 | L22-L26 WeakPolarHBondContact O-CB 3.33Å; L22-L26 PolarHBondContact O-N 2.78Å; D23-L26 PolarHBondContact O-N 3.31Å; L26-L29 PolarHBondContact O-N 2.91Å; L26-L30 HydrophobicContact CG-CD1 4.28Å; L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 WeakPolarHBondContact O-CD1 3.11Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.06Å |
| 27 | I | 55.3 | Low | 46.3 | Very low | 99 Ų | 99 | 103.6 Ų | 103.6 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 173.2 | -68.5 | 163.6 | 0 | 0 | 0 | 110.5 | D23 L30 S31 | D23-I27 WeakPolarHBondContact O-CB 3.46Å; D23-I27 WeakPolarHBondContact O-CD1 3.43Å; D23-I27 VanDerWaalsContact O-CG1 3.24Å; D23-I27 WeakPolarHBondContact O-CG1 3.41Å; D23-I27 PolarHBondContact O-N 3.17Å; I27-L30 WeakPolarHBondContact O-CB 3.43Å; I27-L30 PolarHBondContact O-N 2.99Å; I27-S31 PolarHBondContact O-N 2.99Å; I27-S31 PolarHBondContact O-OG 3.25Å |
| 28 | S | 47.1 | Very low | 46.2 | Very low | 69 Ų | 69 | 99.9 Ų | 99.9 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | F24 L25 S31 S32 | F24-S28 VanDerWaalsContact O-CB 3.23Å; F24-S28 WeakPolarHBondContact O-CB 3.22Å; F24-S28 PolarHBondContact O-N 3.48Å; L25-S28 PolarHBondContact O-N 2.95Å; S28-S31 PolarHBondContact O-N 3.21Å; S28-S32 WeakPolarHBondContact O-CB 3.19Å; S28-S32 PolarHBondContact O-N 2.87Å; S28-S32 PolarHBondContact O-OG 2.88Å |
| 29 | L | 49.2 | Very low | 46.1 | Very low | 95 Ų | 95 | 98.1 Ų | 98.1 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 173.6 | -96.8 | 98.1 | 0 | 0 | 0 | 111.1 | L25 L26 S31 S32 L33 | L25-L29 HydrophobicContact CD2-CD1 4.23Å; L25-L29 VanDerWaalsContact O-CD1 3.25Å; L25-L29 WeakPolarHBondContact O-CD1 3.45Å; L25-L29 PolarHBondContact O-N 2.97Å; L26-L29 PolarHBondContact O-N 2.91Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 3.41Å; L29-S32 WeakPolarHBondContact CA-OG 3.45Å; L29-S32 PolarHBondContact O-N 3.26Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 2.71Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.32Å |
| 30 | L | 49.6 | Very low | 46.5 | Very low | 42 Ų | 42 | 99.1 Ų | 99.1 | 22% | 0.22 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 174.5 | -76.8 | 162.7 | 0 | 0 | 0 | 111.2 | L26 I27 S32 L33 C34 V328 | L26-L30 HydrophobicContact CG-CD1 4.28Å; L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 WeakPolarHBondContact O-CD1 3.11Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.06Å; I27-L30 WeakPolarHBondContact O-CB 3.43Å; I27-L30 PolarHBondContact O-N 2.99Å; L30-S32 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 3.32Å; L30-C34 PolarHBondContact O-N 2.86Å; L30-C34 VanDerWaalsContact O-N 3.12Å; L30-C34 PolarHBondContact O-SG 3.49Å; L30-V328 HydrophobicContact CD2-CB 3.69Å; L30-V328 HydrophobicContact CD2-CG1 3.6Å; L30-V328 HydrophobicContact CD2-CG2 4.43Å |
| 31 | S | 46.4 | Very low | 47.3 | Very low | 78 Ų | 78 | 98.4 Ų | 98.4 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 174.7 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | I27 S28 L29 L33 C34 | I27-S31 PolarHBondContact O-N 2.99Å; I27-S31 PolarHBondContact O-OG 3.25Å; S28-S31 PolarHBondContact O-N 3.21Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 3.41Å; S31-L33 VanDerWaalsContact C-N 3.29Å; S31-L33 PolarHBondContact O-N 3.35Å; S31-C34 PolarHBondContact O-N 2.91Å |
| 32 | S | 46.1 | Very low | 48.6 | Very low | 81 Ų | 81 | 97.1 Ų | 97.1 | 57% | 0.566 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -27.1 | 177.3 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | S28 L29 L30 | S28-S32 WeakPolarHBondContact O-CB 3.19Å; S28-S32 PolarHBondContact O-N 2.87Å; S28-S32 PolarHBondContact O-OG 2.88Å; L29-S32 WeakPolarHBondContact CA-OG 3.45Å; L29-S32 PolarHBondContact O-N 3.26Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 2.71Å; L30-S32 PolarHBondContact O-N 2.9Å |
| 33 | L | 47.3 | Very low | 49.8 | Very low | 85 Ų | 85 | 93.3 Ų | 93.3 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -83.5 | -15.6 | 175 | -74.8 | 164 | 0 | 0 | 0 | 113.3 | L29 L30 S31 L35 V328 | L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.32Å; L30-L33 PolarHBondContact O-N 3.32Å; S31-L33 VanDerWaalsContact C-N 3.29Å; S31-L33 PolarHBondContact O-N 3.35Å; L33-L35 PolarHBondContact O-N 3.28Å; L33-V328 HydrophobicContact CD1-CG1 4.08Å; L33-V328 HydrophobicContact CD1-CG2 4.37Å |
| 34 | C | 43.6 | Very low | 51.1 | Low | 40 Ų | 40 | 96.9 Ų | 96.9 | 27% | 0.27 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 18.2 | 177 | -69 | 0 | 0 | 0 | 0 | 113.8 | L30 S31 N321 | L30-C34 PolarHBondContact O-N 2.86Å; L30-C34 VanDerWaalsContact O-N 3.12Å; L30-C34 PolarHBondContact O-SG 3.49Å; S31-C34 PolarHBondContact O-N 2.91Å; C34-N321 PolarHBondContact O-ND2 2.99Å; C34-N321 PolarHBondContact O-OD1 3.3Å |
| 35 | L | 36.8 | Very low | 52.2 | Low | 156 Ų | 156 | 94 Ų | 94 | 82% | 0.817 | 51% | 0.508 | S | S | * | . | trans | -108.6 | 47.8 | -178.4 | -130.6 | 166.7 | 0 | 0 | 0 | 111.4 | L33 | L33-L35 PolarHBondContact O-N 3.28Š| ||
| 36 | V | 41.6 | Very low | 53.8 | Low | 73 Ų | 73 | 93.7 Ų | 93.7 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -96.5 | 157.6 | 168 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | N321 W324 | V36-N321 WeakPolarHBondContact CB-OD1 3.26Å; V36-N321 PolarHBondContact N-OD1 2.95Å; V36-N321 PolarHBondContact O-ND2 2.78Å; V36-N321 PolarHBondContact O-OD1 3.45Å; V36-W324 HydrophobicContact CG2-CZ2 4.29Å |
| 37 | Y | 36.2 | Very low | 55.4 | Low | 209 Ų | 209 | 90.8 Ų | 90.8 | 82% | 0.82 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 155.8 | 177.5 | -138.2 | -105.1 | 0 | 0 | 0 | 111.4 | ||
| 38 | A | 36.4 | Very low | 56.9 | Low | 39 Ų | 39 | 90 Ų | 90 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 118 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | D40 | A38-D40 VanDerWaalsContact C-N 3.3Å; A38-D40 PolarHBondContact O-N 3.31Å |
| 39 | D | 41.3 | Very low | 58.8 | Low | 119 Ų | 119 | 92 Ų | 92 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | trans | -85.3 | 76 | 162.7 | -53.9 | -54.5 | 0 | 0 | 0 | 108 | V41 | D39-V41 PolarHBondContact O-N 2.86Š| ||
| 40 | D | 53.6 | Low | 60.8 | Low | 124 Ų | 124 | 91 Ų | 91 | 66% | 0.663 | 48% | 0.484 | S | S | * | . | trans | -79.9 | 105.7 | 174.6 | -70.9 | -35.2 | 0 | 0 | 0 | 109 | A38 | A38-D40 VanDerWaalsContact C-N 3.3Å; A38-D40 PolarHBondContact O-N 3.31Å | ||
| 41 | V | 66.2 | Low | 62.8 | Low | 120 Ų | 120 | 91.5 Ų | 91.5 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 121.7 | -179.7 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | D39 T43 | D39-V41 PolarHBondContact O-N 2.86Å; V41-T43 PolarHBondContact O-N 2.96Å |
| 42 | L | 72.6 | Confident | 65 | Low | 64 Ų | 64 | 91.6 Ų | 91.6 | 34% | 0.335 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 123.8 | 179.2 | -176.3 | 67.2 | 0 | 0 | 0 | 111.1 | E46 Q47 L50 H101 | L42-E46 HydrophobicContact CD1-CB 3.6Å; L42-Q47 HydrophobicContact CD2-CB 4.08Å; L42-Q47 HydrophobicContact CG-CB 4.38Å; L42-L50 HydrophobicContact CD1-CD1 4.25Å; L42-L50 HydrophobicContact CD2-CD1 4.36Å; L42-H101 HydrophobicContact CD2-CB 3.99Å |
| 43 | T | 75.1 | Confident | 67.2 | Low | 38 Ų | 38 | 92 Ų | 92 | 23% | 0.233 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 158 | 175.6 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | V41 E45 E46 Q47 | V41-T43 PolarHBondContact O-N 2.96Å; T43-E45 PolarHBondContact O-N 3.44Å; T43-E46 WeakPolarHBondContact CB-OE2 3.44Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.42Å; T43-E46 PolarHBondContact N-OE2 3.45Å; T43-E46 PolarHBondContact O-N 2.79Å; T43-E46 WeakPolarHBondContact OG1-CB 3.36Å; T43-E46 WeakPolarHBondContact OG1-CG 3.47Å; T43-E46 PolarHBondContact OG1-N 3.41Å; T43-E46 PolarHBondContact OG1-OE2 3.45Å; T43-Q47 WeakPolarHBondContact O-CB 3.43Å; T43-Q47 PolarHBondContact O-N 2.89Å |
| 44 | K | 75.9 | Confident | 69.4 | Low | 146 Ų | 146 | 88.6 Ų | 88.6 | 64% | 0.635 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.3 | -34.8 | 175.8 | 175.2 | -167.2 | 168.5 | -146.5 | 0 | 111.3 | Q47 I48 | K44-Q47 PolarHBondContact O-N 3.4Å; K44-I48 HydrophobicContact CG-CD1 4.2Å; K44-I48 VanDerWaalsContact O-CG1 3.29Å; K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.35Å |
| 45 | E | 76.1 | Confident | 71.7 | Confident | 92 Ų | 92 | 90.9 Ų | 90.9 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.4 | -44.9 | -179.7 | -74.1 | 54.9 | -133.9 | 0 | 0 | 110.8 | T43 Q47 I48 D49 | T43-E45 PolarHBondContact O-N 3.44Å; E45-Q47 VanDerWaalsContact C-N 3.34Å; E45-Q47 PolarHBondContact O-N 3.15Å; E45-I48 WeakPolarHBondContact O-CB 3.5Å; E45-I48 PolarHBondContact O-N 3.22Å; E45-I48 VanDerWaalsContact O-N 3.15Å; E45-D49 PolarHBondContact O-N 2.62Å |
| 46 | E | 81.6 | Confident | 74.5 | Confident | 98 Ų | 98 | 89.1 Ų | 89.1 | 46% | 0.458 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 170.8 | -69.8 | 161.4 | 137.2 | 0 | 0 | 112 | L42 T43 I48 D49 L50 | L42-E46 HydrophobicContact CD1-CB 3.6Å; T43-E46 WeakPolarHBondContact CB-OE2 3.44Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.42Å; T43-E46 PolarHBondContact N-OE2 3.45Å; T43-E46 PolarHBondContact O-N 2.79Å; T43-E46 WeakPolarHBondContact OG1-CB 3.36Å; T43-E46 WeakPolarHBondContact OG1-CG 3.47Å; T43-E46 PolarHBondContact OG1-N 3.41Å; T43-E46 PolarHBondContact OG1-OE2 3.45Å; E46-I48 VanDerWaalsContact C-N 3.27Å; E46-I48 PolarHBondContact O-N 2.19Å; E46-D49 PolarHBondContact O-N 2.67Å; E46-L50 WeakPolarHBondContact O-CB 3.39Å; E46-L50 WeakPolarHBondContact O-CG 3.06Å; E46-L50 PolarHBondContact O-N 3.34Å |
| 47 | Q | 85.8 | Confident | 77 | Confident | 40 Ų | 40 | 91 Ų | 91 | 19% | 0.187 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.9 | -30.2 | 174.9 | -179.1 | 59 | 97.4 | 0 | 0 | 112.5 | L42 T43 K44 E45 L51 Y99 | L42-Q47 HydrophobicContact CD2-CB 4.08Å; L42-Q47 HydrophobicContact CG-CB 4.38Å; T43-Q47 WeakPolarHBondContact O-CB 3.43Å; T43-Q47 PolarHBondContact O-N 2.89Å; K44-Q47 PolarHBondContact O-N 3.4Å; E45-Q47 VanDerWaalsContact C-N 3.34Å; E45-Q47 PolarHBondContact O-N 3.15Å; Q47-L51 WeakPolarHBondContact O-CB 3.39Å; Q47-L51 PolarHBondContact O-N 3.49Å; Q47-Y99 PolarHBondContact NE2-O 3.5Å |
| 48 | I | 86.5 | Confident | 79.7 | Confident | 81 Ų | 81 | 81.2 Ų | 81.2 | 42% | 0.415 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.9 | -46.7 | 171.8 | -72.6 | 162.1 | 0 | 0 | 0 | 110.6 | K44 E45 E46 L50 L51 V52 | K44-I48 HydrophobicContact CG-CD1 4.2Å; K44-I48 VanDerWaalsContact O-CG1 3.29Å; K44-I48 WeakPolarHBondContact O-CG1 3.48Å; K44-I48 PolarHBondContact O-N 3.35Å; E45-I48 WeakPolarHBondContact O-CB 3.5Å; E45-I48 PolarHBondContact O-N 3.22Å; E45-I48 VanDerWaalsContact O-N 3.15Å; E46-I48 VanDerWaalsContact C-N 3.27Å; E46-I48 PolarHBondContact O-N 2.19Å; I48-L50 VanDerWaalsContact C-N 3.34Å; I48-L50 PolarHBondContact O-N 2.8Å; I48-L51 PolarHBondContact O-N 3.27Å; I48-L51 VanDerWaalsContact O-N 3.09Å; I48-V52 HydrophobicContact CG2-CG2 4.34Å; I48-V52 WeakPolarHBondContact O-CG2 3.28Å; I48-V52 PolarHBondContact O-N 3.1Å |
| 49 | D | 87.6 | Confident | 82.4 | Confident | 113 Ų | 113 | 82.8 Ų | 82.8 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 179.7 | -80.2 | -17.1 | 0 | 0 | 0 | 111.9 | E45 E46 L51 V52 E53 | E45-D49 PolarHBondContact O-N 2.62Å; E46-D49 PolarHBondContact O-N 2.67Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.13Å; D49-V52 PolarHBondContact O-N 3.22Å; D49-E53 WeakPolarHBondContact O-CB 3.15Å; D49-E53 PolarHBondContact O-N 3.42Å |
| 50 | L | 90.1 | Very high | 84.8 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 38% | 0.382 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 172.2 | -74.8 | 172.3 | 0 | 0 | 0 | 112.5 | L42 E46 I48 A54 | L42-L50 HydrophobicContact CD1-CD1 4.25Å; L42-L50 HydrophobicContact CD2-CD1 4.36Å; E46-L50 WeakPolarHBondContact O-CB 3.39Å; E46-L50 WeakPolarHBondContact O-CG 3.06Å; E46-L50 PolarHBondContact O-N 3.34Å; I48-L50 VanDerWaalsContact C-N 3.34Å; I48-L50 PolarHBondContact O-N 2.8Å; L50-A54 WeakPolarHBondContact O-CB 3.18Å; L50-A54 PolarHBondContact O-N 3.24Å |
| 51 | L | 91.6 | Very high | 86.5 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.2 | -33.8 | 179.7 | -170.5 | 147.3 | 0 | 0 | 0 | 112.1 | Q47 I48 D49 K55 W77 | Q47-L51 WeakPolarHBondContact O-CB 3.39Å; Q47-L51 PolarHBondContact O-N 3.49Å; I48-L51 PolarHBondContact O-N 3.27Å; I48-L51 VanDerWaalsContact O-N 3.09Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.13Å; L51-K55 VanDerWaalsContact O-CB 3.32Å; L51-K55 WeakPolarHBondContact O-CB 3.42Å; L51-K55 PolarHBondContact O-N 2.93Å; L51-W77 HydrophobicContact CD2-CZ2 4.11Å; L51-W77 HydrophobicContact CG-CZ2 4.14Å |
| 52 | V | 92.3 | Very high | 87.6 | Confident | 81 Ų | 81 | 76.1 Ų | 76.1 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 172.5 | 171 | 0 | 0 | 0 | 0 | 111.2 | I48 D49 K55 K56 | I48-V52 HydrophobicContact CG2-CG2 4.34Å; I48-V52 WeakPolarHBondContact O-CG2 3.28Å; I48-V52 PolarHBondContact O-N 3.1Å; D49-V52 PolarHBondContact O-N 3.22Å; V52-K55 PolarHBondContact O-N 2.88Å; V52-K56 WeakPolarHBondContact O-CB 3.47Å; V52-K56 PolarHBondContact O-N 3.1Å |
| 53 | E | 93.2 | Very high | 88.3 | Confident | 88 Ų | 88 | 79.3 Ų | 79.3 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.6 | 174.9 | 69.3 | 177.6 | 0 | 0 | 111.6 | D49 K56 K57 | D49-E53 WeakPolarHBondContact O-CB 3.15Å; D49-E53 PolarHBondContact O-N 3.42Å; E53-K56 PolarHBondContact O-N 3.28Å; E53-K57 HydrophobicContact CG-CD 4.49Å; E53-K57 VanDerWaalsContact CG-NZ 3.31Å; E53-K57 WeakPolarHBondContact O-CG 3.41Å; E53-K57 PolarHBondContact O-N 2.98Å; E53-K57 VanDerWaalsContact O-N 3.14Å; E53-K57 WeakPolarHBondContact OE1-CE 3.45Å; E53-K57 IonicContact OE1-NZ 3.62Å; E53-K57 PolarHBondContact OE1-NZ 3.27Å |
| 54 | A | 92.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 81.9 Ų | 81.9 | 12% | 0.116 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L50 K56 K57 C58 W77 Y99 | L50-A54 WeakPolarHBondContact O-CB 3.18Å; L50-A54 PolarHBondContact O-N 3.24Å; A54-K56 VanDerWaalsContact C-N 3.35Å; A54-K56 PolarHBondContact O-N 3.04Å; A54-K57 PolarHBondContact O-N 3.37Å; A54-C58 PolarHBondContact O-N 3.27Å; A54-W77 HydrophobicContact CB-CH2 3.93Å; A54-W77 HydrophobicContact CB-CZ3 4.32Å; A54-Y99 HydrophobicContact CB-CD1 4.15Å; A54-Y99 HydrophobicContact CB-CD2 4.03Å; A54-Y99 HydrophobicContact CB-CE1 3.78Å; A54-Y99 HydrophobicContact CB-CE2 3.65Å; A54-Y99 HydrophobicContact CB-CG 4.26Å |
| 55 | K | 93.6 | Very high | 88.6 | Confident | 88 Ų | 88 | 80.8 Ų | 80.8 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 174.9 | 176.4 | -178.1 | 167.1 | -172.6 | 0 | 111.4 | L51 V52 K57 C58 E59 W77 | L51-K55 VanDerWaalsContact O-CB 3.32Å; L51-K55 WeakPolarHBondContact O-CB 3.42Å; L51-K55 PolarHBondContact O-N 2.93Å; V52-K55 PolarHBondContact O-N 2.88Å; K55-K57 PolarHBondContact O-N 2.89Å; K55-C58 WeakPolarHBondContact O-CA 3.24Å; K55-C58 VanDerWaalsContact O-CB 3.3Å; K55-C58 WeakPolarHBondContact O-CB 3.46Å; K55-C58 PolarHBondContact O-N 3.15Å; K55-C58 VanDerWaalsContact O-N 3.1Å; K55-E59 WeakPolarHBondContact CE-OE1 3.23Å; K55-E59 IonicContact NZ-OE1 3.41Å; K55-E59 PolarHBondContact NZ-OE1 3.3Å; K55-E59 PolarHBondContact O-N 2.91Å; K55-W77 HydrophobicContact CB-CD2 4.02Å; K55-W77 HydrophobicContact CB-CG 4.47Å; K55-W77 HydrophobicContact CB-CH2 4.41Å; K55-W77 HydrophobicContact CB-CZ2 3.88Å; K55-W77 HydrophobicContact CG-CD2 4.09Å; K55-W77 HydrophobicContact CG-CG 4.01Å |
| 56 | K | 94.4 | Very high | 88.3 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | -179.9 | -177 | -175.9 | 173.1 | -167.9 | 0 | 111.5 | V52 E53 A54 C58 E59 D60 | V52-K56 WeakPolarHBondContact O-CB 3.47Å; V52-K56 PolarHBondContact O-N 3.1Å; E53-K56 PolarHBondContact O-N 3.28Å; A54-K56 VanDerWaalsContact C-N 3.35Å; A54-K56 PolarHBondContact O-N 3.04Å; K56-C58 VanDerWaalsContact C-N 3.27Å; K56-C58 PolarHBondContact O-N 2.77Å; K56-E59 PolarHBondContact O-N 2.7Å; K56-D60 PolarHBondContact O-N 3.44Å |
| 57 | K | 93.3 | Very high | 87.8 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | 174 | -73 | 165.6 | -177.6 | 161 | 0 | 112.1 | E53 A54 K55 N61 | E53-K57 HydrophobicContact CG-CD 4.49Å; E53-K57 VanDerWaalsContact CG-NZ 3.31Å; E53-K57 WeakPolarHBondContact O-CG 3.41Å; E53-K57 PolarHBondContact O-N 2.98Å; E53-K57 VanDerWaalsContact O-N 3.14Å; E53-K57 WeakPolarHBondContact OE1-CE 3.45Å; E53-K57 IonicContact OE1-NZ 3.62Å; E53-K57 PolarHBondContact OE1-NZ 3.27Å; A54-K57 PolarHBondContact O-N 3.37Å; K55-K57 PolarHBondContact O-N 2.89Å; K57-N61 VanDerWaalsContact O-CB 3.28Å; K57-N61 WeakPolarHBondContact O-CB 3.47Å; K57-N61 PolarHBondContact O-N 2.81Å; K57-N61 PolarHBondContact O-ND2 3.37Å |
| 58 | C | 92.9 | Very high | 87.1 | Confident | 3 Ų | 3 | 86.1 Ų | 86.1 | 2% | 0.02 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -51.7 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | A54 K55 K56 D60 N61 I62 W77 C82 | A54-C58 PolarHBondContact O-N 3.27Å; K55-C58 WeakPolarHBondContact O-CA 3.24Å; K55-C58 VanDerWaalsContact O-CB 3.3Å; K55-C58 WeakPolarHBondContact O-CB 3.46Å; K55-C58 PolarHBondContact O-N 3.15Å; K55-C58 VanDerWaalsContact O-N 3.1Å; K56-C58 VanDerWaalsContact C-N 3.27Å; K56-C58 PolarHBondContact O-N 2.77Å; C58-D60 VanDerWaalsContact C-N 3.31Å; C58-D60 PolarHBondContact O-N 2.92Å; C58-N61 PolarHBondContact O-N 2.86Å; C58-I62 WeakPolarHBondContact O-CG1 3.45Å; C58-I62 PolarHBondContact O-N 3.3Å; C58-W77 HydrophobicContact CB-CD2 4.43Å; C58-W77 HydrophobicContact CB-CE3 3.64Å; C58-W77 HydrophobicContact CB-CZ3 4.32Å; C58-C82 WeakPolarHBondContact CA-SG 3.3Å; C58-C82 HydrophobicContact CB-CB 3.54Å; C58-C82 WeakPolarHBondContact CB-SG 3.28Å; C58-C82 WeakPolarHBondContact SG-CA 3.39Å; C58-C82 WeakPolarHBondContact SG-CB 3.5Å; C58-C82 CovalentContact SG-SG 2.03Å; C58-C82 PolarHBondContact SG-SG 3.33Å |
| 59 | E | 93.1 | Very high | 86.4 | Confident | 73 Ų | 73 | 85.9 Ų | 85.9 | 34% | 0.341 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | -179.5 | -69.1 | -171.3 | -171.7 | 0 | 0 | 112.5 | K55 K56 I62 K63 | K55-E59 WeakPolarHBondContact CE-OE1 3.23Å; K55-E59 IonicContact NZ-OE1 3.41Å; K55-E59 PolarHBondContact NZ-OE1 3.3Å; K55-E59 PolarHBondContact O-N 2.91Å; K56-E59 PolarHBondContact O-N 2.7Å; E59-I62 PolarHBondContact O-N 3.38Å; E59-K63 WeakPolarHBondContact O-CD 3.38Å; E59-K63 WeakPolarHBondContact O-CE 3.36Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 IonicContact OE2-NZ 3.74Å; E59-K63 PolarHBondContact OE2-NZ 3.14Å; E59-K63 VanDerWaalsContact OE2-NZ 3.07Å |
| 60 | D | 92.3 | Very high | 85.7 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.3 | -33.9 | -179 | -65.5 | -16.7 | 0 | 0 | 0 | 111.6 | K56 C58 K63 S64 | K56-D60 PolarHBondContact O-N 3.44Å; C58-D60 VanDerWaalsContact C-N 3.31Å; C58-D60 PolarHBondContact O-N 2.92Å; D60-K63 PolarHBondContact O-N 2.78Å; D60-K63 IonicContact OD1-NZ 2.94Å; D60-K63 PolarHBondContact OD1-NZ 2.84Å; D60-S64 WeakPolarHBondContact O-CB 3.4Å; D60-S64 PolarHBondContact O-N 2.88Å; D60-S64 PolarHBondContact O-OG 3.39Å |
| 61 | N | 89.6 | Confident | 85 | Confident | 96 Ų | 96 | 86.9 Ų | 86.9 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 167.7 | -80 | -24.4 | 0 | 0 | 0 | 112.1 | K57 C58 S64 R65 | K57-N61 VanDerWaalsContact O-CB 3.28Å; K57-N61 WeakPolarHBondContact O-CB 3.47Å; K57-N61 PolarHBondContact O-N 2.81Å; K57-N61 PolarHBondContact O-ND2 3.37Å; C58-N61 PolarHBondContact O-N 2.86Å; N61-S64 PolarHBondContact O-N 3.31Å; N61-S64 PolarHBondContact O-OG 2.84Å; N61-R65 PolarHBondContact O-N 3.26Å |
| 62 | I | 89.1 | Confident | 84.8 | Confident | 54 Ų | 54 | 87.1 Ų | 87.1 | 28% | 0.277 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 176.6 | -67.5 | 165.7 | 0 | 0 | 0 | 110.7 | C58 E59 S64 R65 P75 | C58-I62 WeakPolarHBondContact O-CG1 3.45Å; C58-I62 PolarHBondContact O-N 3.3Å; E59-I62 PolarHBondContact O-N 3.38Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 2.89Å; I62-R65 PolarHBondContact O-N 2.92Å; I62-P75 HydrophobicContact CD1-CB 4.49Å; I62-P75 HydrophobicContact CG1-CB 4.16Å; I62-P75 HydrophobicContact CG1-CG 4.15Å |
| 63 | K | 87.2 | Confident | 84.6 | Confident | 132 Ų | 132 | 83.3 Ų | 83.3 | 57% | 0.574 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.1 | -30.2 | 177 | -67.2 | 159.8 | -153.3 | 157.7 | 0 | 113.3 | E59 D60 | E59-K63 WeakPolarHBondContact O-CD 3.38Å; E59-K63 WeakPolarHBondContact O-CE 3.36Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 IonicContact OE2-NZ 3.74Å; E59-K63 PolarHBondContact OE2-NZ 3.14Å; E59-K63 VanDerWaalsContact OE2-NZ 3.07Å; D60-K63 PolarHBondContact O-N 2.78Å; D60-K63 IonicContact OD1-NZ 2.94Å; D60-K63 PolarHBondContact OD1-NZ 2.84Å |
| 64 | S | 83.9 | Confident | 84.4 | Confident | 92 Ų | 92 | 82.1 Ų | 82.1 | 64% | 0.643 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -78.9 | -20.3 | 179.7 | 75.5 | 0 | 0 | 0 | 0 | 114 | D60 N61 I62 | D60-S64 WeakPolarHBondContact O-CB 3.4Å; D60-S64 PolarHBondContact O-N 2.88Å; D60-S64 PolarHBondContact O-OG 3.39Å; N61-S64 PolarHBondContact O-N 3.31Å; N61-S64 PolarHBondContact O-OG 2.84Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 2.89Å |
| 65 | R | 74.4 | Confident | 84.3 | Confident | 122 Ų | 122 | 82.2 Ų | 82.2 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -80.3 | 141.2 | 175.5 | -75.2 | 167.1 | 165.7 | -109 | 5.4 | 109.8 | N61 I62 E85 | N61-R65 PolarHBondContact O-N 3.26Å; I62-R65 PolarHBondContact O-N 2.92Å; R65-E85 IonicContact CZ-OE1 3.67Å; R65-E85 IonicContact NH1-OE1 2.7Å; R65-E85 PolarHBondContact NH1-OE1 3.47Å; R65-E85 IonicContact NH1-OE2 2.69Å; R65-E85 PolarHBondContact NH1-OE2 2.89Å; R65-E85 IonicContact NH2-OE1 2.9Å; R65-E85 PolarHBondContact NH2-OE1 2.93Å |
| 66 | G | 69.9 | Low | 84.2 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 68% | 0.68 | 43% | 0.43 | S | S | * | . | trans | -74.6 | -165.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I68 | G66-I68 PolarHBondContact O-N 3.36Å; G66-I68 VanDerWaalsContact O-N 3.17Å | ||
| 67 | K | 69.8 | Low | 84.1 | Confident | 215 Ų | 215 | 77.5 Ų | 77.5 | 94% | 0.935 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 122.5 | 173.1 | -74.3 | -170.5 | 173.9 | -171.1 | 0 | 110.6 | ||
| 68 | I | 71.9 | Confident | 83.9 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 141.4 | 173.2 | -58.9 | 155 | 0 | 0 | 0 | 108.3 | G66 F72 S74 | G66-I68 PolarHBondContact O-N 3.36Å; G66-I68 VanDerWaalsContact O-N 3.17Å; I68-F72 HydrophobicContact CG2-CB 3.94Å; I68-S74 WeakPolarHBondContact CD1-OG 3.24Å |
| 69 | P | 72.8 | Confident | 83.7 | Confident | 77 Ų | 77 | 75.8 Ų | 75.8 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 143.5 | 175.9 | -19.1 | 32 | 0 | 0 | 0 | 112.2 | G71 F72 | P69-G71 PolarHBondContact O-N 2.83Å; P69-F72 HydrophobicContact CB-CD2 3.81Å; P69-F72 HydrophobicContact CB-CE2 3.97Å; P69-F72 HydrophobicContact CG-CD2 4.37Å; P69-F72 HydrophobicContact CG-CE2 4.44Å; P69-F72 PolarHBondContact O-N 3.28Å |
| 70 | D | 71.1 | Confident | 83.7 | Confident | 167 Ų | 167 | 75.1 Ų | 75.1 | 89% | 0.893 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.1 | -179.2 | -64.5 | -57.3 | 0 | 0 | 0 | 111.7 | ||
| 71 | G | 76.5 | Confident | 83.7 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | P69 P88 G117 | P69-G71 PolarHBondContact O-N 2.83Å; G71-P88 WeakPolarHBondContact O-CB 3.42Å; G71-P88 WeakPolarHBondContact O-CG 3.42Å; G71-G117 WeakPolarHBondContact O-CA 3.36Å |
| 72 | F | 86.3 | Confident | 83.9 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 25% | 0.254 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -85.7 | 145.4 | 174 | -76.3 | -109.8 | 0 | 0 | 0 | 112.1 | I68 P69 S74 G86 H87 | I68-F72 HydrophobicContact CG2-CB 3.94Å; P69-F72 HydrophobicContact CB-CD2 3.81Å; P69-F72 HydrophobicContact CB-CE2 3.97Å; P69-F72 HydrophobicContact CG-CD2 4.37Å; P69-F72 HydrophobicContact CG-CE2 4.44Å; P69-F72 PolarHBondContact O-N 3.28Å; F72-S74 PolarHBondContact O-N 3.35Å; F72-G86 WeakPolarHBondContact CA-O 3.34Å; F72-G86 WeakPolarHBondContact CD1-O 3.43Å; F72-H87 HydrophobicContact CE1-CB 4.48Å; F72-H87 AromaticContact CE1-CD2 3.53Å; F72-H87 AromaticContact CE1-CE1 3.95Å; F72-H87 AromaticContact CE1-CG 3.77Å; F72-H87 AromaticContact CE1-NE2 3.66Å; F72-H87 AromaticContact CZ-CD2 3.98Å |
| 73 | C | 89.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 124 | 169 | -71.3 | 0 | 0 | 0 | 0 | 110.5 | E85 G86 C113 G117 T118 W119 | C73-E85 WeakPolarHBondContact O-CA 3.25Å; C73-G86 PolarHBondContact N-O 3.42Å; C73-G86 PolarHBondContact O-N 3.41Å; C73-C113 HydrophobicContact CB-CB 3.82Å; C73-C113 WeakPolarHBondContact CB-SG 3.25Å; C73-C113 WeakPolarHBondContact SG-CA 3.49Å; C73-C113 WeakPolarHBondContact SG-CB 3.49Å; C73-C113 CovalentContact SG-SG 2.02Å; C73-C113 PolarHBondContact SG-SG 3.37Å; C73-G117 WeakPolarHBondContact CA-O 3.3Å; C73-T118 PolarHBondContact SG-O 2.91Å; C73-W119 HydrophobicContact CB-CD2 3.86Å; C73-W119 HydrophobicContact CB-CE3 4.1Å; C73-W119 HydrophobicContact CB-CG 4.45Å; C73-W119 HydrophobicContact CB-CH2 4.17Å; C73-W119 HydrophobicContact CB-CZ2 3.9Å; C73-W119 HydrophobicContact CB-CZ3 4.26Å |
| 74 | S | 89.1 | Confident | 84.3 | Confident | 64 Ų | 64 | 63 Ų | 63 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 139.7 | -178.8 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | I68 F72 W119 | I68-S74 WeakPolarHBondContact CD1-OG 3.24Å; F72-S74 PolarHBondContact O-N 3.35Å; S74-W119 PolarHBondContact O-NE1 3.46Å |
| 75 | P | 90.8 | Very high | 84.7 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 10% | 0.104 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -64 | 140.7 | 173.7 | 28.8 | -35 | 0 | 0 | 0 | 110.8 | I62 W83 | I62-P75 HydrophobicContact CD1-CB 4.49Å; I62-P75 HydrophobicContact CG1-CB 4.16Å; I62-P75 HydrophobicContact CG1-CG 4.15Å; P75-W83 WeakPolarHBondContact CA-O 3.37Å; P75-W83 WeakPolarHBondContact CB-O 3.37Å |
| 76 | E | 90.7 | Very high | 85.4 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160.3 | -177.4 | 60.8 | 163.8 | -112.8 | 0 | 0 | 112.2 | W83 R111 W119 | E76-W83 HydrophobicContact CG-CB 4.49Å; E76-W83 PolarHBondContact N-O 3.35Å; E76-W83 PolarHBondContact O-N 3.06Å; E76-R111 IonicContact OE1-CZ 2.85Å; E76-R111 IonicContact OE1-NH1 2.72Å; E76-R111 PolarHBondContact OE1-NH1 2.98Å; E76-R111 IonicContact OE1-NH2 3.15Å; E76-R111 PolarHBondContact OE1-NH2 2.89Å; E76-R111 IonicContact OE2-CZ 3.87Å; E76-R111 IonicContact OE2-NH2 2.95Å; E76-R111 PolarHBondContact OE2-NH2 3.38Å; E76-W119 PolarHBondContact OE2-NE1 2.92Å |
| 77 | W | 91.9 | Very high | 86.4 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.1 | 168.2 | 178.5 | -97.2 | 0 | 0 | 0 | 109.5 | L51 A54 K55 C58 G79 I80 V81 C82 Y99 | L51-W77 HydrophobicContact CD2-CZ2 4.11Å; L51-W77 HydrophobicContact CG-CZ2 4.14Å; A54-W77 HydrophobicContact CB-CH2 3.93Å; A54-W77 HydrophobicContact CB-CZ3 4.32Å; K55-W77 HydrophobicContact CB-CD2 4.02Å; K55-W77 HydrophobicContact CB-CG 4.47Å; K55-W77 HydrophobicContact CB-CH2 4.41Å; K55-W77 HydrophobicContact CB-CZ2 3.88Å; K55-W77 HydrophobicContact CG-CD2 4.09Å; K55-W77 HydrophobicContact CG-CG 4.01Å; C58-W77 HydrophobicContact CB-CD2 4.43Å; C58-W77 HydrophobicContact CB-CE3 3.64Å; C58-W77 HydrophobicContact CB-CZ3 4.32Å; W77-G79 VanDerWaalsContact C-N 3.35Å; W77-G79 VanDerWaalsContact NE1-CA 3.29Å; W77-I80 WeakPolarHBondContact CH2-O 3.21Å; W77-V81 VanDerWaalsContact CZ3-C 3.47Å; W77-C82 HydrophobicContact CE3-CB 4.16Å; W77-C82 HydrophobicContact CZ3-CB 4.44Å; W77-Y99 HydrophobicContact CH2-CE2 4.3Å |
| 78 | D | 90.1 | Very high | 87.4 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | trans | -88.2 | -1.5 | -176.2 | 75 | -8.1 | 0 | 0 | 0 | 114.5 | I80 V81 W83 Y131 | D78-I80 WeakPolarHBondContact OD1-CA 3.37Å; D78-I80 PolarHBondContact OD1-N 3.41Å; D78-V81 PolarHBondContact N-O 3.46Å; D78-V81 PolarHBondContact OD1-N 3.5Å; D78-W83 VanDerWaalsContact CG-NE1 3.32Å; D78-W83 PolarHBondContact OD2-NE1 3.48Å; D78-Y131 PolarHBondContact OD1-OH 2.86Å; D78-Y131 PolarHBondContact OD2-OH 3.31Å | ||
| 79 | G | 89.1 | Confident | 88.1 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 110.4 | -23.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W77 | W77-G79 VanDerWaalsContact C-N 3.35Å; W77-G79 VanDerWaalsContact NE1-CA 3.29Å |
| 80 | I | 91.6 | Very high | 89 | Confident | 58 Ų | 58 | 51 Ų | 51 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -124.3 | -42.4 | -174.3 | -55.5 | -178.8 | 0 | 0 | 0 | 111.3 | W77 D78 Y99 I100 F103 Y131 | W77-I80 WeakPolarHBondContact CH2-O 3.21Å; D78-I80 WeakPolarHBondContact OD1-CA 3.37Å; D78-I80 PolarHBondContact OD1-N 3.41Å; I80-Y99 PolarHBondContact O-OH 2.93Å; I80-I100 HydrophobicContact CG2-CD1 3.64Å; I80-F103 HydrophobicContact CG2-CE2 4.01Å; I80-F103 HydrophobicContact CG2-CZ 4.38Å; I80-Y131 HydrophobicContact CG2-CE1 4.22Å |
| 81 | V | 93.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | trans | -136 | 162.6 | -178.8 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | W77 D78 W83 T94 P97 Y131 | W77-V81 VanDerWaalsContact CZ3-C 3.47Å; D78-V81 PolarHBondContact N-O 3.46Å; D78-V81 PolarHBondContact OD1-N 3.5Å; V81-W83 HydrophobicContact CG2-CD2 4.12Å; V81-W83 VanDerWaalsContact CG2-CE2 3.49Å; V81-W83 HydrophobicContact CG2-CG 4.29Å; V81-W83 HydrophobicContact CG2-CZ2 3.82Å; V81-W83 VanDerWaalsContact CG2-NE1 3.33Å; V81-T94 HydrophobicContact CG2-CG2 4.05Å; V81-P97 HydrophobicContact CG1-CG 4.07Å; V81-Y131 HydrophobicContact CG1-CE1 4.13Å; V81-Y131 VanDerWaalsContact CG2-OH 3.25Å; V81-Y131 WeakPolarHBondContact CG2-OH 3.44Å | ||
| 82 | C | 93.6 | Very high | 91 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 30% | 0.297 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 110.8 | 170.3 | -160.8 | 0 | 0 | 0 | 0 | 109.7 | C58 W77 | C58-C82 WeakPolarHBondContact CA-SG 3.3Å; C58-C82 HydrophobicContact CB-CB 3.54Å; C58-C82 WeakPolarHBondContact CB-SG 3.28Å; C58-C82 WeakPolarHBondContact SG-CA 3.39Å; C58-C82 WeakPolarHBondContact SG-CB 3.5Å; C58-C82 CovalentContact SG-SG 2.03Å; C58-C82 PolarHBondContact SG-SG 3.33Å; W77-C82 HydrophobicContact CE3-CB 4.16Å; W77-C82 HydrophobicContact CZ3-CB 4.44Å |
| 83 | W | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.7 | 177.9 | -71.9 | 94.2 | 0 | 0 | 0 | 111 | P75 E76 D78 V81 V92 T94 A109 R111 W119 A129 | P75-W83 WeakPolarHBondContact CA-O 3.37Å; P75-W83 WeakPolarHBondContact CB-O 3.37Å; E76-W83 HydrophobicContact CG-CB 4.49Å; E76-W83 PolarHBondContact N-O 3.35Å; E76-W83 PolarHBondContact O-N 3.06Å; D78-W83 VanDerWaalsContact CG-NE1 3.32Å; D78-W83 PolarHBondContact OD2-NE1 3.48Å; V81-W83 HydrophobicContact CG2-CD2 4.12Å; V81-W83 VanDerWaalsContact CG2-CE2 3.49Å; V81-W83 HydrophobicContact CG2-CG 4.29Å; V81-W83 HydrophobicContact CG2-CZ2 3.82Å; V81-W83 VanDerWaalsContact CG2-NE1 3.33Å; W83-V92 HydrophobicContact CE3-CG1 4.08Å; W83-V92 HydrophobicContact CZ3-CG1 4.37Å; W83-T94 HydrophobicContact CE3-CG2 4.34Å; W83-T94 HydrophobicContact CH2-CG2 3.92Å; W83-T94 HydrophobicContact CZ2-CG2 4.4Å; W83-T94 HydrophobicContact CZ3-CG2 3.89Å; W83-A109 HydrophobicContact CH2-CB 3.92Å; W83-A109 HydrophobicContact CZ2-CB 4.27Å; W83-R111 HydrophobicContact CD2-CB 4.02Å; W83-R111 HydrophobicContact CD2-CG 4.35Å; W83-R111 HydrophobicContact CE3-CB 3.63Å; W83-R111 HydrophobicContact CE3-CG 4.36Å; W83-R111 HydrophobicContact CH2-CB 3.52Å; W83-R111 HydrophobicContact CZ2-CB 3.88Å; W83-R111 HydrophobicContact CZ3-CB 3.37Å; W83-R111 HydrophobicContact CZ3-CG 4.5Å; W83-W119 HydrophobicContact CB-CH2 4.34Å; W83-W119 HydrophobicContact CB-CZ2 4.01Å; W83-A129 HydrophobicContact CZ2-CB 4.24Å |
| 84 | P | 91.9 | Very high | 91.5 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | trans | -73.7 | 176.2 | 173 | 33 | -35.7 | 0 | 0 | 0 | 111.4 | V92 W119 | P84-V92 HydrophobicContact CG-CG1 3.71Å; P84-W119 WeakPolarHBondContact O-CZ2 3.25Å | ||
| 85 | E | 90.9 | Very high | 91.8 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 134.5 | 175.9 | 66.2 | -130.5 | 123.9 | 0 | 0 | 112.2 | R65 C73 | R65-E85 IonicContact CZ-OE1 3.67Å; R65-E85 IonicContact NH1-OE1 2.7Å; R65-E85 PolarHBondContact NH1-OE1 3.47Å; R65-E85 IonicContact NH1-OE2 2.69Å; R65-E85 PolarHBondContact NH1-OE2 2.89Å; R65-E85 IonicContact NH2-OE1 2.9Å; R65-E85 PolarHBondContact NH2-OE1 2.93Å; C73-E85 WeakPolarHBondContact O-CA 3.25Å |
| 86 | G | 90.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -103.5 | 129.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F72 C73 | F72-G86 WeakPolarHBondContact CA-O 3.34Å; F72-G86 WeakPolarHBondContact CD1-O 3.43Å; C73-G86 PolarHBondContact N-O 3.42Å; C73-G86 PolarHBondContact O-N 3.41Å |
| 87 | H | 89.6 | Confident | 92 | Very high | 105 Ų | 105 | 50.3 Ų | 50.3 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 136.9 | 169.2 | -70.4 | 72.6 | 0 | 0 | 0 | 109.5 | F72 G89 D90 C113 | F72-H87 HydrophobicContact CE1-CB 4.48Å; F72-H87 AromaticContact CE1-CD2 3.53Å; F72-H87 AromaticContact CE1-CE1 3.95Å; F72-H87 AromaticContact CE1-CG 3.77Å; F72-H87 AromaticContact CE1-NE2 3.66Å; F72-H87 AromaticContact CZ-CD2 3.98Å; H87-G89 PolarHBondContact O-N 2.69Å; H87-D90 HydrophobicContact CB-CB 4.17Å; H87-D90 WeakPolarHBondContact CB-OD2 3.36Å; H87-D90 PolarHBondContact O-N 3.4Å; H87-D90 VanDerWaalsContact O-N 3.09Å; H87-C113 WeakPolarHBondContact O-CB 3.34Å |
| 88 | P | 90.4 | Very high | 91.9 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 119.1 | -175.3 | 21.6 | -31.3 | 0 | 0 | 0 | 112.4 | G71 | G71-P88 WeakPolarHBondContact O-CB 3.42Å; G71-P88 WeakPolarHBondContact O-CG 3.42Å |
| 89 | G | 88.2 | Confident | 91.9 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | -18.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | H87 C113 | H87-G89 PolarHBondContact O-N 2.69Å; G89-C113 CarbonylContact C-O 3.49Å; G89-C113 WeakPolarHBondContact CA-O 3.17Å; G89-C113 PolarHBondContact N-O 3.38Å |
| 90 | D | 91.4 | Very high | 91.8 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | trans | -83.5 | 159 | -172.3 | -80.4 | -22.4 | 0 | 0 | 0 | 114.4 | H87 C113 | H87-D90 HydrophobicContact CB-CB 4.17Å; H87-D90 WeakPolarHBondContact CB-OD2 3.36Å; H87-D90 PolarHBondContact O-N 3.4Å; H87-D90 VanDerWaalsContact O-N 3.09Å; D90-C113 PolarHBondContact O-N 2.94Å | ||
| 91 | L | 93.4 | Very high | 91.4 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 41% | 0.414 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 103.7 | 168.5 | -169.5 | 74.2 | 0 | 0 | 0 | 109.5 | Y110 R111 R112 W128 | L91-Y110 HydrophobicContact CD2-CD1 3.84Å; L91-Y110 HydrophobicContact CD2-CG 4.48Å; L91-Y110 HydrophobicContact CG-CD1 4.35Å; L91-R111 CarbonylContact C-O 3.36Å; L91-R112 HydrophobicContact CD1-CB 4.32Å; L91-W128 HydrophobicContact CD1-CH2 4.16Å; L91-W128 HydrophobicContact CD1-CZ3 3.86Å |
| 92 | V | 94.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.3 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | W83 P84 Y110 R111 W119 | W83-V92 HydrophobicContact CE3-CG1 4.08Å; W83-V92 HydrophobicContact CZ3-CG1 4.37Å; P84-V92 HydrophobicContact CG-CG1 3.71Å; V92-Y110 WeakPolarHBondContact O-CA 3.17Å; V92-R111 PolarHBondContact N-O 3.1Å; V92-R111 PolarHBondContact O-N 2.99Å; V92-R111 VanDerWaalsContact O-O 3.07Å; V92-W119 HydrophobicContact CB-CH2 4.16Å; V92-W119 HydrophobicContact CB-CZ3 4.07Å; V92-W119 HydrophobicContact CG1-CH2 4.25Å; V92-W119 HydrophobicContact CG2-CH2 3.87Å; V92-W119 HydrophobicContact CG2-CZ3 3.79Å |
| 93 | F | 94.1 | Very high | 90.7 | Very high | 130 Ų | 130 | 61.4 Ų | 61.4 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.1 | 175.9 | 59.9 | -88.6 | 0 | 0 | 0 | 111.1 | L108 A109 Y110 | F93-L108 HydrophobicContact CD2-CD1 4.19Å; F93-L108 HydrophobicContact CD2-CD2 4.26Å; F93-A109 CarbonylContact C-O 3.59Å; F93-A109 VanDerWaalsContact CA-O 3.26Å; F93-A109 WeakPolarHBondContact CA-O 3.31Å; F93-Y110 HydrophobicContact CB-CD1 3.93Å; F93-Y110 HydrophobicContact CB-CE1 4.22Å |
| 94 | T | 93.5 | Very high | 90.4 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.8 | 170.9 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | V81 W83 L108 A109 | V81-T94 HydrophobicContact CG2-CG2 4.05Å; W83-T94 HydrophobicContact CE3-CG2 4.34Å; W83-T94 HydrophobicContact CH2-CG2 3.92Å; W83-T94 HydrophobicContact CZ2-CG2 4.4Å; W83-T94 HydrophobicContact CZ3-CG2 3.89Å; T94-L108 CarbonylContact O-C 3.59Å; T94-L108 WeakPolarHBondContact O-CA 3.47Å; T94-A109 HydrophobicContact CG2-CB 4.04Å; T94-A109 PolarHBondContact N-O 2.69Å; T94-A109 PolarHBondContact O-N 3.09Å |
| 95 | L | 93.9 | Very high | 90.3 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 60% | 0.602 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 146.2 | 169.3 | -75.1 | 158.6 | 0 | 0 | 0 | 110.5 | L108 | L95-L108 HydrophobicContact CD2-CD2 4.06Å; L95-L108 HydrophobicContact CG-CD2 4.31Å |
| 96 | C | 93.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -62 | 136 | 167.4 | -57 | 0 | 0 | 0 | 0 | 109.7 | F103 N104 G107 C134 | C96-F103 HydrophobicContact CB-CD2 4.49Å; C96-N104 VanDerWaalsContact CB-O 3.25Å; C96-N104 WeakPolarHBondContact CB-O 3.43Å; C96-N104 PolarHBondContact SG-O 2.95Å; C96-N104 VanDerWaalsContact SG-O 3.36Å; C96-G107 PolarHBondContact N-O 3.05Å; C96-G107 VanDerWaalsContact N-O 3.1Å; C96-G107 PolarHBondContact SG-O 2.78Å; C96-C134 HydrophobicContact CB-CB 3.79Å; C96-C134 WeakPolarHBondContact CB-SG 3.41Å; C96-C134 WeakPolarHBondContact SG-CA 3.39Å; C96-C134 WeakPolarHBondContact SG-CB 3.3Å; C96-C134 CovalentContact SG-SG 2.03Å; C96-C134 PolarHBondContact SG-SG 3.47Å |
| 97 | P | 92.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 139.2 | -173.1 | 23.8 | -35.7 | 0 | 0 | 0 | 114.1 | V81 Y99 I100 F103 H105 | V81-P97 HydrophobicContact CG1-CG 4.07Å; P97-Y99 VanDerWaalsContact C-N 3.27Å; P97-Y99 HydrophobicContact CB-CD1 3.82Å; P97-Y99 HydrophobicContact CB-CD2 4.02Å; P97-Y99 HydrophobicContact CB-CE1 3.44Å; P97-Y99 VanDerWaalsContact CB-CE1 3.44Å; P97-Y99 HydrophobicContact CB-CE2 3.66Å; P97-Y99 HydrophobicContact CB-CG 4.09Å; P97-Y99 HydrophobicContact CG-CE2 4.22Å; P97-Y99 PolarHBondContact O-N 2.96Å; P97-I100 HydrophobicContact CG-CB 4.33Å; P97-I100 HydrophobicContact CG-CD1 3.74Å; P97-I100 HydrophobicContact CG-CG1 3.96Å; P97-F103 HydrophobicContact CG-CD2 3.9Å; P97-F103 HydrophobicContact CG-CE2 4.15Å; P97-H105 PolarHBondContact O-ND1 3.23Å; P97-H105 VanDerWaalsContact O-ND1 3.07Å |
| 98 | D | 90.4 | Very high | 90.5 | Very high | 129 Ų | 129 | 66.4 Ų | 66.4 | 69% | 0.69 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -21.8 | 172.6 | -57.2 | -52.4 | 0 | 0 | 0 | 112.9 | I100 H105 | D98-I100 VanDerWaalsContact C-N 3.29Å; D98-I100 PolarHBondContact O-N 3.29Å; D98-H105 IonicContact OD1-CG 3.52Å |
| 99 | Y | 88.6 | Confident | 90.7 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 11.4 | -178.6 | 54.9 | -97.1 | 0 | 0 | 0 | 114.2 | Q47 A54 W77 I80 P97 | Q47-Y99 PolarHBondContact NE2-O 3.5Å; A54-Y99 HydrophobicContact CB-CD1 4.15Å; A54-Y99 HydrophobicContact CB-CD2 4.03Å; A54-Y99 HydrophobicContact CB-CE1 3.78Å; A54-Y99 HydrophobicContact CB-CE2 3.65Å; A54-Y99 HydrophobicContact CB-CG 4.26Å; W77-Y99 HydrophobicContact CH2-CE2 4.3Å; I80-Y99 PolarHBondContact O-OH 2.93Å; P97-Y99 VanDerWaalsContact C-N 3.27Å; P97-Y99 HydrophobicContact CB-CD1 3.82Å; P97-Y99 HydrophobicContact CB-CD2 4.02Å; P97-Y99 HydrophobicContact CB-CE1 3.44Å; P97-Y99 VanDerWaalsContact CB-CE1 3.44Å; P97-Y99 HydrophobicContact CB-CE2 3.66Å; P97-Y99 HydrophobicContact CB-CG 4.09Å; P97-Y99 HydrophobicContact CG-CE2 4.22Å; P97-Y99 PolarHBondContact O-N 2.96Å |
| 100 | I | 87.8 | Confident | 91 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | trans | -121 | 107 | 170.9 | -60.8 | -176.3 | 0 | 0 | 0 | 107.4 | I80 P97 D98 D102 F103 H105 | I80-I100 HydrophobicContact CG2-CD1 3.64Å; P97-I100 HydrophobicContact CG-CB 4.33Å; P97-I100 HydrophobicContact CG-CD1 3.74Å; P97-I100 HydrophobicContact CG-CG1 3.96Å; D98-I100 VanDerWaalsContact C-N 3.29Å; D98-I100 PolarHBondContact O-N 3.29Å; I100-D102 VanDerWaalsContact C-N 3.31Å; I100-D102 PolarHBondContact O-N 3.42Å; I100-F103 HydrophobicContact CB-CB 4.36Å; I100-F103 HydrophobicContact CB-CD2 4.05Å; I100-F103 HydrophobicContact CB-CG 4.07Å; I100-F103 HydrophobicContact CD1-CD2 4.21Å; I100-F103 HydrophobicContact CD1-CE2 3.87Å; I100-F103 HydrophobicContact CD1-CZ 4.26Å; I100-F103 HydrophobicContact CG2-CB 4.25Å; I100-F103 HydrophobicContact CG2-CD1 3.68Å; I100-F103 HydrophobicContact CG2-CD2 4.03Å; I100-F103 HydrophobicContact CG2-CE1 4Å; I100-F103 HydrophobicContact CG2-CE2 4.33Å; I100-F103 HydrophobicContact CG2-CG 3.71Å; I100-F103 HydrophobicContact CG2-CZ 4.31Å; I100-F103 PolarHBondContact O-N 3.48Å; I100-H105 PolarHBondContact O-CE1 3.37Å; I100-H105 VanDerWaalsContact O-CE1 3.28Å | ||
| 101 | H | 83.4 | Confident | 91.1 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -41.5 | -169.5 | 177.4 | -90.1 | 0 | 0 | 0 | 113.4 | L42 F103 | L42-H101 HydrophobicContact CD2-CB 3.99Å; H101-F103 PolarHBondContact O-N 3.44Å |
| 102 | D | 83.7 | Confident | 91.1 | Very high | 94 Ų | 94 | 60.7 Ų | 60.7 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 11.4 | -171.8 | -50.2 | -31.7 | 0 | 0 | 0 | 113.7 | I100 L138 | I100-D102 VanDerWaalsContact C-N 3.31Å; I100-D102 PolarHBondContact O-N 3.42Å; D102-L138 HydrophobicContact CB-CD2 3.82Å |
| 103 | F | 88.3 | Confident | 91 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -98.1 | 145 | -179.6 | -85.5 | 15 | 0 | 0 | 0 | 112.8 | I80 C96 P97 I100 H101 H105 C134 L138 | I80-F103 HydrophobicContact CG2-CE2 4.01Å; I80-F103 HydrophobicContact CG2-CZ 4.38Å; C96-F103 HydrophobicContact CB-CD2 4.49Å; P97-F103 HydrophobicContact CG-CD2 3.9Å; P97-F103 HydrophobicContact CG-CE2 4.15Å; I100-F103 HydrophobicContact CB-CB 4.36Å; I100-F103 HydrophobicContact CB-CD2 4.05Å; I100-F103 HydrophobicContact CB-CG 4.07Å; I100-F103 HydrophobicContact CD1-CD2 4.21Å; I100-F103 HydrophobicContact CD1-CE2 3.87Å; I100-F103 HydrophobicContact CD1-CZ 4.26Å; I100-F103 HydrophobicContact CG2-CB 4.25Å; I100-F103 HydrophobicContact CG2-CD1 3.68Å; I100-F103 HydrophobicContact CG2-CD2 4.03Å; I100-F103 HydrophobicContact CG2-CE1 4Å; I100-F103 HydrophobicContact CG2-CE2 4.33Å; I100-F103 HydrophobicContact CG2-CG 3.71Å; I100-F103 HydrophobicContact CG2-CZ 4.31Å; I100-F103 PolarHBondContact O-N 3.48Å; H101-F103 PolarHBondContact O-N 3.44Å; F103-H105 PolarHBondContact O-N 2.9Å; F103-H105 PolarHBondContact O-ND1 3.24Å; F103-C134 HydrophobicContact CD2-CB 3.79Å; F103-C134 HydrophobicContact CE2-CB 4Å; F103-C134 HydrophobicContact CG-CB 4.08Å; F103-C134 HydrophobicContact CZ-CB 4.48Å; F103-L138 HydrophobicContact CE1-CD1 4.31Å |
| 104 | N | 88.1 | Confident | 90.9 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | trans | -70.2 | 89.8 | 165.5 | 172.5 | 30.3 | 0 | 0 | 0 | 110.5 | C96 K106 G107 E133 C134 F137 | C96-N104 VanDerWaalsContact CB-O 3.25Å; C96-N104 WeakPolarHBondContact CB-O 3.43Å; C96-N104 PolarHBondContact SG-O 2.95Å; C96-N104 VanDerWaalsContact SG-O 3.36Å; N104-K106 PolarHBondContact O-N 3.5Å; N104-K106 PolarHBondContact OD1-N 2.94Å; N104-G107 PolarHBondContact ND2-N 3.1Å; N104-G107 PolarHBondContact O-N 3.2Å; N104-E133 VanDerWaalsContact CB-O 3.3Å; N104-E133 WeakPolarHBondContact CB-O 3.35Å; N104-E133 PolarHBondContact ND2-O 2.9Å; N104-C134 PolarHBondContact N-O 3.45Å; N104-F137 HydrophobicContact CB-CD2 3.65Å; N104-F137 HydrophobicContact CB-CE2 3.54Å | ||
| 105 | H | 89.6 | Confident | 90.7 | Very high | 75 Ų | 75 | 59 Ų | 59 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -15.4 | 178.9 | -42.9 | -57.4 | 0 | 0 | 0 | 114.5 | P97 D98 I100 F103 | P97-H105 PolarHBondContact O-ND1 3.23Å; P97-H105 VanDerWaalsContact O-ND1 3.07Å; D98-H105 IonicContact OD1-CG 3.52Å; I100-H105 PolarHBondContact O-CE1 3.37Å; I100-H105 VanDerWaalsContact O-CE1 3.28Å; F103-H105 PolarHBondContact O-N 2.9Å; F103-H105 PolarHBondContact O-ND1 3.24Å |
| 106 | K | 90 | Very high | 90.4 | Very high | 192 Ų | 192 | 59.6 Ų | 59.6 | 84% | 0.835 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5.2 | 176.2 | -62.5 | 178.5 | -178.2 | 172.8 | 0 | 114.1 | N104 | N104-K106 PolarHBondContact O-N 3.5Å; N104-K106 PolarHBondContact OD1-N 2.94Å |
| 107 | G | 91 | Very high | 90 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -84.1 | 170.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | C96 N104 | C96-G107 PolarHBondContact N-O 3.05Å; C96-G107 VanDerWaalsContact N-O 3.1Å; C96-G107 PolarHBondContact SG-O 2.78Å; N104-G107 PolarHBondContact ND2-N 3.1Å; N104-G107 PolarHBondContact O-N 3.2Å |
| 108 | L | 94.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.6 | 171 | -62.3 | 176.9 | 0 | 0 | 0 | 111.9 | F93 T94 L95 Y110 E133 | F93-L108 HydrophobicContact CD2-CD1 4.19Å; F93-L108 HydrophobicContact CD2-CD2 4.26Å; T94-L108 CarbonylContact O-C 3.59Å; T94-L108 WeakPolarHBondContact O-CA 3.47Å; L95-L108 HydrophobicContact CD2-CD2 4.06Å; L95-L108 HydrophobicContact CG-CD2 4.31Å; L108-Y110 HydrophobicContact CB-CE1 4.13Å; L108-Y110 HydrophobicContact CB-CE2 3.93Å; L108-Y110 HydrophobicContact CD1-CE1 4.31Å; L108-Y110 WeakPolarHBondContact O-CE2 3.28Å; L108-E133 PolarHBondContact N-OE2 3.03Å |
| 109 | A | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | W83 F93 T94 N130 Y131 | W83-A109 HydrophobicContact CH2-CB 3.92Å; W83-A109 HydrophobicContact CZ2-CB 4.27Å; F93-A109 CarbonylContact C-O 3.59Å; F93-A109 VanDerWaalsContact CA-O 3.26Å; F93-A109 WeakPolarHBondContact CA-O 3.31Å; T94-A109 HydrophobicContact CG2-CB 4.04Å; T94-A109 PolarHBondContact N-O 2.69Å; T94-A109 PolarHBondContact O-N 3.09Å; A109-N130 WeakPolarHBondContact CA-O 3.44Å; A109-Y131 HydrophobicContact CB-CD1 3.69Å; A109-Y131 HydrophobicContact CB-CE1 3.55Å; A109-Y131 HydrophobicContact CB-CG 4.49Å |
| 110 | Y | 94.4 | Very high | 89.9 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 143.1 | -175.4 | -54.8 | -90.9 | 0 | 0 | 0 | 112.5 | L91 V92 F93 L108 A129 N130 E133 | L91-Y110 HydrophobicContact CD2-CD1 3.84Å; L91-Y110 HydrophobicContact CD2-CG 4.48Å; L91-Y110 HydrophobicContact CG-CD1 4.35Å; V92-Y110 WeakPolarHBondContact O-CA 3.17Å; F93-Y110 HydrophobicContact CB-CD1 3.93Å; F93-Y110 HydrophobicContact CB-CE1 4.22Å; L108-Y110 HydrophobicContact CB-CE1 4.13Å; L108-Y110 HydrophobicContact CB-CE2 3.93Å; L108-Y110 HydrophobicContact CD1-CE1 4.31Å; L108-Y110 WeakPolarHBondContact O-CE2 3.28Å; Y110-A129 CarbonylContact O-C 3.6Å; Y110-A129 WeakPolarHBondContact O-CA 3.22Å; Y110-N130 PolarHBondContact N-O 3.35Å; Y110-N130 PolarHBondContact O-N 2.99Å; Y110-E133 HydrophobicContact CE2-CG 4.36Å; Y110-E133 WeakPolarHBondContact CE2-OE1 3.27Å; Y110-E133 PolarHBondContact OH-OE1 3.34Å |
| 111 | R | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 145 | 178.9 | -170.1 | 173.4 | 177.3 | 150.6 | -2 | 110.1 | E76 W83 L91 V92 W119 W128 | E76-R111 IonicContact OE1-CZ 2.85Å; E76-R111 IonicContact OE1-NH1 2.72Å; E76-R111 PolarHBondContact OE1-NH1 2.98Å; E76-R111 IonicContact OE1-NH2 3.15Å; E76-R111 PolarHBondContact OE1-NH2 2.89Å; E76-R111 IonicContact OE2-CZ 3.87Å; E76-R111 IonicContact OE2-NH2 2.95Å; E76-R111 PolarHBondContact OE2-NH2 3.38Å; W83-R111 HydrophobicContact CD2-CB 4.02Å; W83-R111 HydrophobicContact CD2-CG 4.35Å; W83-R111 HydrophobicContact CE3-CB 3.63Å; W83-R111 HydrophobicContact CE3-CG 4.36Å; W83-R111 HydrophobicContact CH2-CB 3.52Å; W83-R111 HydrophobicContact CZ2-CB 3.88Å; W83-R111 HydrophobicContact CZ3-CB 3.37Å; W83-R111 HydrophobicContact CZ3-CG 4.5Å; L91-R111 CarbonylContact C-O 3.36Å; V92-R111 PolarHBondContact N-O 3.1Å; V92-R111 PolarHBondContact O-N 2.99Å; V92-R111 VanDerWaalsContact O-O 3.07Å; R111-W119 HydrophobicContact CB-CE3 4.48Å; R111-W119 HydrophobicContact CB-CZ3 4.2Å; R111-W119 HydrophobicContact CG-CD2 4.28Å; R111-W119 HydrophobicContact CG-CE3 3.56Å; R111-W119 HydrophobicContact CG-CZ3 3.74Å; R111-W119 VanDerWaalsContact NH2-CB 3.34Å; R111-W128 WeakPolarHBondContact CG-O 3.46Å |
| 112 | R | 92.9 | Very high | 90.3 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.5 | -178.8 | -175.4 | 173.7 | -61.9 | -178.9 | -1.9 | 111.6 | L91 K120 W128 | L91-R112 HydrophobicContact CD1-CB 4.32Å; R112-K120 HydrophobicContact CB-CB 4.08Å; R112-K120 HydrophobicContact CB-CD 4.26Å; R112-K120 WeakPolarHBondContact O-CB 3.36Å; R112-K120 PolarHBondContact O-N 3.33Å; R112-W128 HydrophobicContact CB-CE3 4.06Å; R112-W128 HydrophobicContact CB-CZ3 4.06Å |
| 113 | C | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -89 | 124.1 | 164.5 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | C73 H87 G89 D90 W119 | C73-C113 HydrophobicContact CB-CB 3.82Å; C73-C113 WeakPolarHBondContact CB-SG 3.25Å; C73-C113 WeakPolarHBondContact SG-CA 3.49Å; C73-C113 WeakPolarHBondContact SG-CB 3.49Å; C73-C113 CovalentContact SG-SG 2.02Å; C73-C113 PolarHBondContact SG-SG 3.37Å; H87-C113 WeakPolarHBondContact O-CB 3.34Å; G89-C113 CarbonylContact C-O 3.49Å; G89-C113 WeakPolarHBondContact CA-O 3.17Å; G89-C113 PolarHBondContact N-O 3.38Å; D90-C113 PolarHBondContact O-N 2.94Å; C113-W119 HydrophobicContact CB-CE3 4.36Å; C113-W119 HydrophobicContact CB-CZ3 4.31Å |
| 114 | D | 90.6 | Very high | 89.7 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | trans | -80.8 | 163 | 174.3 | -69.2 | -26.9 | 0 | 0 | 0 | 110.4 | N116 G117 T118 K120 | D114-N116 PolarHBondContact O-N 3.34Å; D114-G117 PolarHBondContact O-N 2.7Å; D114-G117 VanDerWaalsContact O-N 3.17Å; D114-T118 PolarHBondContact N-O 3.17Å; D114-K120 VanDerWaalsContact OD2-CA 3.3Å; D114-K120 WeakPolarHBondContact OD2-CA 3.16Å | ||
| 115 | S | 89.4 | Confident | 89.4 | Confident | 92 Ų | 92 | 70 Ų | 70 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -14.1 | -176.5 | 54.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 116 | N | 87.8 | Confident | 89.2 | Confident | 129 Ų | 129 | 73.3 Ų | 73.3 | 69% | 0.69 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.7 | -174.6 | -57 | -2.6 | 0 | 0 | 0 | 112.7 | D114 T118 | D114-N116 PolarHBondContact O-N 3.34Å; N116-T118 VanDerWaalsContact C-N 3.28Å; N116-T118 PolarHBondContact O-N 3.27Å |
| 117 | G | 85.4 | Confident | 89.2 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 17% | 0.165 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 74 | 17.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | G71 C73 D114 | G71-G117 WeakPolarHBondContact O-CA 3.36Å; C73-G117 WeakPolarHBondContact CA-O 3.3Å; D114-G117 PolarHBondContact O-N 2.7Å; D114-G117 VanDerWaalsContact O-N 3.17Å |
| 118 | T | 88.7 | Confident | 89.2 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -115.4 | 138.8 | -179.4 | 54.3 | 0 | 0 | 0 | 0 | 111 | C73 D114 N116 K120 | C73-T118 PolarHBondContact SG-O 2.91Å; D114-T118 PolarHBondContact N-O 3.17Å; N116-T118 VanDerWaalsContact C-N 3.28Å; N116-T118 PolarHBondContact O-N 3.27Å; T118-K120 PolarHBondContact O-N 2.97Å |
| 119 | W | 90.8 | Very high | 89.1 | Confident | 18 Ų | 18 | 69.7 Ų | 69.7 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -61.5 | 134.6 | 171.4 | -65.2 | 114.8 | 0 | 0 | 0 | 111 | C73 S74 E76 W83 P84 V92 R111 C113 L121 T127 | C73-W119 HydrophobicContact CB-CD2 3.86Å; C73-W119 HydrophobicContact CB-CE3 4.1Å; C73-W119 HydrophobicContact CB-CG 4.45Å; C73-W119 HydrophobicContact CB-CH2 4.17Å; C73-W119 HydrophobicContact CB-CZ2 3.9Å; C73-W119 HydrophobicContact CB-CZ3 4.26Å; S74-W119 PolarHBondContact O-NE1 3.46Å; E76-W119 PolarHBondContact OE2-NE1 2.92Å; W83-W119 HydrophobicContact CB-CH2 4.34Å; W83-W119 HydrophobicContact CB-CZ2 4.01Å; P84-W119 WeakPolarHBondContact O-CZ2 3.25Å; V92-W119 HydrophobicContact CB-CH2 4.16Å; V92-W119 HydrophobicContact CB-CZ3 4.07Å; V92-W119 HydrophobicContact CG1-CH2 4.25Å; V92-W119 HydrophobicContact CG2-CH2 3.87Å; V92-W119 HydrophobicContact CG2-CZ3 3.79Å; R111-W119 HydrophobicContact CB-CE3 4.48Å; R111-W119 HydrophobicContact CB-CZ3 4.2Å; R111-W119 HydrophobicContact CG-CD2 4.28Å; R111-W119 HydrophobicContact CG-CE3 3.56Å; R111-W119 HydrophobicContact CG-CZ3 3.74Å; R111-W119 VanDerWaalsContact NH2-CB 3.34Å; C113-W119 HydrophobicContact CB-CE3 4.36Å; C113-W119 HydrophobicContact CB-CZ3 4.31Å; W119-L121 PolarHBondContact O-N 3Å; W119-T127 HydrophobicContact CB-CG2 3.98Å |
| 120 | K | 91.2 | Very high | 89 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 27% | 0.274 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 135.3 | 180 | -179.3 | -175.1 | 173.3 | -166.8 | 0 | 111.5 | R112 D114 T118 T127 W128 | R112-K120 HydrophobicContact CB-CB 4.08Å; R112-K120 HydrophobicContact CB-CD 4.26Å; R112-K120 WeakPolarHBondContact O-CB 3.36Å; R112-K120 PolarHBondContact O-N 3.33Å; D114-K120 VanDerWaalsContact OD2-CA 3.3Å; D114-K120 WeakPolarHBondContact OD2-CA 3.16Å; T118-K120 PolarHBondContact O-N 2.97Å; K120-T127 CarbonylContact O-C 3.59Å; K120-T127 WeakPolarHBondContact O-CA 3.48Å; K120-W128 HydrophobicContact CB-CB 4.31Å; K120-W128 HydrophobicContact CD-CB 4.12Å; K120-W128 HydrophobicContact CD-CD2 4.32Å; K120-W128 HydrophobicContact CD-CE3 4.32Å; K120-W128 HydrophobicContact CD-CG 4.24Å; K120-W128 HydrophobicContact CG-CB 4.12Å; K120-W128 PolarHBondContact O-N 3.5Å |
| 121 | L | 89.8 | Confident | 88.9 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 151 | 176.4 | -65.3 | 169.9 | 0 | 0 | 0 | 112.4 | W119 K126 T127 | W119-L121 PolarHBondContact O-N 3Å; L121-K126 CarbonylContact C-O 3.16Å; L121-K126 WeakPolarHBondContact CA-O 3.39Å; L121-K126 WeakPolarHBondContact CD2-O 3.32Å; L121-T127 HydrophobicContact CD2-CG2 3.88Å |
| 122 | V | 88.6 | Confident | 88.7 | Confident | 100 Ų | 100 | 75 Ų | 75 | 61% | 0.606 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -38.3 | 168.4 | -174 | 0 | 0 | 0 | 0 | 110.6 | K126 W128 | V122-K126 PolarHBondContact N-O 2.97Å; V122-W128 HydrophobicContact CG2-CB 3.5Å; V122-W128 VanDerWaalsContact CG2-CB 3.5Å; V122-W128 HydrophobicContact CG2-CG 4.02Å |
| 123 | S | 84.7 | Confident | 88.5 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 43% | 0.427 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 173.5 | 175.1 | 70.7 | 0 | 0 | 0 | 0 | 109.8 | N125 K126 | S123-N125 PolarHBondContact O-N 3.37Å; S123-K126 PolarHBondContact N-O 3.46Å; S123-K126 PolarHBondContact O-N 3.14Å |
| 124 | V | 76 | Confident | 88.4 | Confident | 131 Ų | 131 | 72.9 Ų | 72.9 | 79% | 0.794 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -33.8 | -165.6 | -173.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 125 | N | 80.8 | Confident | 88.2 | Confident | 155 Ų | 155 | 72.7 Ų | 72.7 | 83% | 0.829 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 35 | 176.2 | -70.8 | -37.9 | 0 | 0 | 0 | 112.9 | S123 | S123-N125 PolarHBondContact O-N 3.37Š|
| 126 | K | 85.2 | Confident | 87.8 | Confident | 144 Ų | 144 | 75 Ų | 75 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.9 | 174.5 | -67.9 | -168.3 | 175.6 | -171.6 | 0 | 112.2 | L121 V122 S123 | L121-K126 CarbonylContact C-O 3.16Å; L121-K126 WeakPolarHBondContact CA-O 3.39Å; L121-K126 WeakPolarHBondContact CD2-O 3.32Å; V122-K126 PolarHBondContact N-O 2.97Å; S123-K126 PolarHBondContact N-O 3.46Å; S123-K126 PolarHBondContact O-N 3.14Å |
| 127 | T | 89.9 | Confident | 87 | Confident | 58 Ų | 58 | 74.8 Ų | 74.8 | 36% | 0.356 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 155 | 173.1 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | W119 K120 L121 | W119-T127 HydrophobicContact CB-CG2 3.98Å; K120-T127 CarbonylContact O-C 3.59Å; K120-T127 WeakPolarHBondContact O-CA 3.48Å; L121-T127 HydrophobicContact CD2-CG2 3.88Å |
| 128 | W | 91.6 | Very high | 86.3 | Confident | 71 Ų | 71 | 78 Ų | 78 | 27% | 0.269 | 41% | 0.414 | S | S | . | . | trans | -93.3 | 116.4 | 178.4 | -179.9 | 79.1 | 0 | 0 | 0 | 110.3 | L91 R111 R112 K120 V122 N130 | L91-W128 HydrophobicContact CD1-CH2 4.16Å; L91-W128 HydrophobicContact CD1-CZ3 3.86Å; R111-W128 WeakPolarHBondContact CG-O 3.46Å; R112-W128 HydrophobicContact CB-CE3 4.06Å; R112-W128 HydrophobicContact CB-CZ3 4.06Å; K120-W128 HydrophobicContact CB-CB 4.31Å; K120-W128 HydrophobicContact CD-CB 4.12Å; K120-W128 HydrophobicContact CD-CD2 4.32Å; K120-W128 HydrophobicContact CD-CE3 4.32Å; K120-W128 HydrophobicContact CD-CG 4.24Å; K120-W128 HydrophobicContact CG-CB 4.12Å; K120-W128 PolarHBondContact O-N 3.5Å; V122-W128 HydrophobicContact CG2-CB 3.5Å; V122-W128 VanDerWaalsContact CG2-CB 3.5Å; V122-W128 HydrophobicContact CG2-CG 4.02Å; W128-N130 HydrophobicContact CH2-CB 4.15Å; W128-N130 HydrophobicContact CZ2-CB 3.9Å | ||
| 129 | A | 92 | Very high | 85.3 | Confident | 32 Ų | 32 | 79.6 Ų | 79.6 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | W83 Y110 Y131 | W83-A129 HydrophobicContact CZ2-CB 4.24Å; Y110-A129 CarbonylContact O-C 3.6Å; Y110-A129 WeakPolarHBondContact O-CA 3.22Å; A129-Y131 HydrophobicContact CB-CD2 4.2Å; A129-Y131 HydrophobicContact CB-CE2 3.79Å |
| 130 | N | 92.7 | Very high | 84 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.8 | 172.6 | -179.3 | 29.2 | 0 | 0 | 0 | 110.4 | A109 Y110 W128 S132 | A109-N130 WeakPolarHBondContact CA-O 3.44Å; Y110-N130 PolarHBondContact N-O 3.35Å; Y110-N130 PolarHBondContact O-N 2.99Å; W128-N130 HydrophobicContact CH2-CB 4.15Å; W128-N130 HydrophobicContact CZ2-CB 3.9Å; N130-S132 PolarHBondContact ND2-OG 2.99Å; N130-S132 VanDerWaalsContact OD1-CB 3.27Å; N130-S132 WeakPolarHBondContact OD1-CB 3.23Å; N130-S132 PolarHBondContact OD1-N 3.34Å; N130-S132 VanDerWaalsContact OD1-N 3.08Å; N130-S132 PolarHBondContact OD1-OG 3.4Å |
| 131 | Y | 91.3 | Very high | 82.7 | Confident | 41 Ų | 41 | 87 Ų | 87 | 16% | 0.161 | 46% | 0.458 | C | S | . | . | trans | -109.6 | 13 | 179.5 | -77.5 | -81.6 | 0 | 0 | 0 | 113 | D78 I80 V81 A109 A129 E133 C134 S135 | D78-Y131 PolarHBondContact OD1-OH 2.86Å; D78-Y131 PolarHBondContact OD2-OH 3.31Å; I80-Y131 HydrophobicContact CG2-CE1 4.22Å; V81-Y131 HydrophobicContact CG1-CE1 4.13Å; V81-Y131 VanDerWaalsContact CG2-OH 3.25Å; V81-Y131 WeakPolarHBondContact CG2-OH 3.44Å; A109-Y131 HydrophobicContact CB-CD1 3.69Å; A109-Y131 HydrophobicContact CB-CE1 3.55Å; A109-Y131 HydrophobicContact CB-CG 4.49Å; A129-Y131 HydrophobicContact CB-CD2 4.2Å; A129-Y131 HydrophobicContact CB-CE2 3.79Å; Y131-E133 PolarHBondContact O-N 3.1Å; Y131-E133 VanDerWaalsContact O-N 3.07Å; Y131-C134 HydrophobicContact CD1-CB 4.33Å; Y131-C134 WeakPolarHBondContact O-CB 3.19Å; Y131-C134 PolarHBondContact O-N 3.3Å; Y131-S135 PolarHBondContact O-N 2.94Å; Y131-S135 PolarHBondContact O-OG 3.44Å | ||
| 132 | S | 89.6 | Confident | 81.7 | Confident | 67 Ų | 67 | 86.2 Ų | 86.2 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27 | -171.7 | 61.7 | 0 | 0 | 0 | 0 | 115.5 | N130 | N130-S132 PolarHBondContact ND2-OG 2.99Å; N130-S132 VanDerWaalsContact OD1-CB 3.27Å; N130-S132 WeakPolarHBondContact OD1-CB 3.23Å; N130-S132 PolarHBondContact OD1-N 3.34Å; N130-S132 VanDerWaalsContact OD1-N 3.08Å; N130-S132 PolarHBondContact OD1-OG 3.4Å |
| 133 | E | 90.6 | Very high | 80.7 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -31.5 | 175 | -63.5 | -174.3 | -162.9 | 0 | 0 | 112.9 | N104 L108 Y110 Y131 K136 | N104-E133 VanDerWaalsContact CB-O 3.3Å; N104-E133 WeakPolarHBondContact CB-O 3.35Å; N104-E133 PolarHBondContact ND2-O 2.9Å; L108-E133 PolarHBondContact N-OE2 3.03Å; Y110-E133 HydrophobicContact CE2-CG 4.36Å; Y110-E133 WeakPolarHBondContact CE2-OE1 3.27Å; Y110-E133 PolarHBondContact OH-OE1 3.34Å; Y131-E133 PolarHBondContact O-N 3.1Å; Y131-E133 VanDerWaalsContact O-N 3.07Å; E133-K136 WeakPolarHBondContact O-CB 3.43Å |
| 134 | C | 89.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -71.3 | -45.4 | 177.5 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | C96 F103 N104 Y131 K136 | C96-C134 HydrophobicContact CB-CB 3.79Å; C96-C134 WeakPolarHBondContact CB-SG 3.41Å; C96-C134 WeakPolarHBondContact SG-CA 3.39Å; C96-C134 WeakPolarHBondContact SG-CB 3.3Å; C96-C134 CovalentContact SG-SG 2.03Å; C96-C134 PolarHBondContact SG-SG 3.47Å; F103-C134 HydrophobicContact CD2-CB 3.79Å; F103-C134 HydrophobicContact CE2-CB 4Å; F103-C134 HydrophobicContact CG-CB 4.08Å; F103-C134 HydrophobicContact CZ-CB 4.48Å; N104-C134 PolarHBondContact N-O 3.45Å; Y131-C134 HydrophobicContact CD1-CB 4.33Å; Y131-C134 WeakPolarHBondContact O-CB 3.19Å; Y131-C134 PolarHBondContact O-N 3.3Å; C134-K136 PolarHBondContact O-N 2.88Å; C134-K136 VanDerWaalsContact O-N 3.1Å |
| 135 | S | 87.3 | Confident | 80 | Confident | 51 Ų | 51 | 89.3 Ų | 89.3 | 36% | 0.357 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -76.6 | 11.1 | -178.6 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | Y131 F137 L138 | Y131-S135 PolarHBondContact O-N 2.94Å; Y131-S135 PolarHBondContact O-OG 3.44Å; S135-F137 VanDerWaalsContact C-N 3.26Å; S135-F137 PolarHBondContact O-N 3.1Å; S135-L138 PolarHBondContact O-N 3.06Å |
| 136 | K | 79.5 | Confident | 79.8 | Confident | 141 Ų | 141 | 85.3 Ų | 85.3 | 61% | 0.613 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -65.5 | -25.3 | -169.6 | -173.5 | 172.9 | 179.2 | 179.6 | 0 | 114.2 | E133 C134 | E133-K136 WeakPolarHBondContact O-CB 3.43Å; C134-K136 PolarHBondContact O-N 2.88Å; C134-K136 VanDerWaalsContact O-N 3.1Å |
| 137 | F | 71.8 | Confident | 79.5 | Confident | 124 Ų | 124 | 84.8 Ų | 84.8 | 54% | 0.544 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -97.9 | -0.5 | 178.1 | -59.9 | -55.3 | 0 | 0 | 0 | 113.9 | N104 S135 H139 | N104-F137 HydrophobicContact CB-CD2 3.65Å; N104-F137 HydrophobicContact CB-CE2 3.54Å; S135-F137 VanDerWaalsContact C-N 3.26Å; S135-F137 PolarHBondContact O-N 3.1Å; F137-H139 PolarHBondContact O-CD2 3.26Å; F137-H139 VanDerWaalsContact O-CD2 3.26Å; F137-H139 PolarHBondContact O-N 3.09Å |
| 138 | L | 71.4 | Confident | 79.2 | Confident | 84 Ų | 84 | 86.1 Ų | 86.1 | 44% | 0.44 | 42% | 0.42 | S | S | . | . | trans | -78.3 | 72.1 | 176.4 | -72.3 | 170.7 | 0 | 0 | 0 | 110.6 | D102 F103 S135 I140 | D102-L138 HydrophobicContact CB-CD2 3.82Å; F103-L138 HydrophobicContact CE1-CD1 4.31Å; S135-L138 PolarHBondContact O-N 3.06Å; L138-I140 PolarHBondContact O-N 2.98Å | ||
| 139 | H | 66.1 | Low | 78.8 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | trans | -75.2 | 83.7 | -178.1 | -71.2 | -82.5 | 0 | 0 | 0 | 112 | F137 N141 D142 Y143 | F137-H139 PolarHBondContact O-CD2 3.26Å; F137-H139 VanDerWaalsContact O-CD2 3.26Å; F137-H139 PolarHBondContact O-N 3.09Å; H139-N141 PolarHBondContact O-N 3.45Å; H139-N141 VanDerWaalsContact O-N 3.11Å; H139-D142 HydrophobicContact CB-CB 4.13Å; H139-D142 WeakPolarHBondContact CB-OD2 3.45Å; H139-D142 IonicContact CG-OD2 2.71Å; H139-D142 PolarHBondContact O-N 2.97Å; H139-Y143 PolarHBondContact O-N 2.87Å | ||
| 140 | I | 65.3 | Low | 78.5 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -52.6 | -34.4 | 179.4 | -61.3 | 173.5 | 0 | 0 | 0 | 112.6 | L138 I144 | L138-I140 PolarHBondContact O-N 2.98Å; I140-I144 HydrophobicContact CG2-CD1 4.12Å; I140-I144 WeakPolarHBondContact O-CG1 3.25Å; I140-I144 PolarHBondContact O-N 3.41Å |
| 141 | N | 63.1 | Low | 78.1 | Confident | 116 Ų | 116 | 88.6 Ų | 88.6 | 62% | 0.62 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66 | -35.9 | 178.1 | -71.2 | 4.7 | 0 | 0 | 0 | 112.9 | H139 I144 H145 | H139-N141 PolarHBondContact O-N 3.45Å; H139-N141 VanDerWaalsContact O-N 3.11Å; N141-I144 PolarHBondContact O-N 3.06Å; N141-H145 PolarHBondContact O-N 3.08Å |
| 142 | D | 67.9 | Low | 77.9 | Confident | 84 Ų | 84 | 91.6 Ų | 91.6 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.3 | -43 | -176.8 | -61.4 | -19.9 | 0 | 0 | 0 | 109.6 | H139 I144 H145 E146 | H139-D142 HydrophobicContact CB-CB 4.13Å; H139-D142 WeakPolarHBondContact CB-OD2 3.45Å; H139-D142 IonicContact CG-OD2 2.71Å; H139-D142 PolarHBondContact O-N 2.97Å; D142-I144 VanDerWaalsContact C-N 3.27Å; D142-I144 PolarHBondContact O-N 3.35Å; D142-H145 PolarHBondContact O-N 3.26Å; D142-H145 VanDerWaalsContact O-N 3.1Å; D142-E146 WeakPolarHBondContact O-CB 3.31Å; D142-E146 WeakPolarHBondContact O-CG 3.38Å; D142-E146 PolarHBondContact O-N 3.37Å |
| 143 | Y | 68.8 | Low | 77.9 | Confident | 157 Ų | 157 | 88.9 Ų | 88.9 | 62% | 0.616 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -55.7 | -38.2 | 170.8 | 173 | -105.1 | 0 | 0 | 0 | 113.2 | H139 K147 | H139-Y143 PolarHBondContact O-N 2.87Å; Y143-K147 WeakPolarHBondContact O-CB 3.26Å; Y143-K147 PolarHBondContact O-N 2.7Å |
| 144 | I | 71.3 | Confident | 77.7 | Confident | 87 Ų | 87 | 87.7 Ų | 87.7 | 45% | 0.446 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 175.2 | -68.7 | 166.3 | 0 | 0 | 0 | 110.5 | I140 N141 D142 K147 E148 | I140-I144 HydrophobicContact CG2-CD1 4.12Å; I140-I144 WeakPolarHBondContact O-CG1 3.25Å; I140-I144 PolarHBondContact O-N 3.41Å; N141-I144 PolarHBondContact O-N 3.06Å; D142-I144 VanDerWaalsContact C-N 3.27Å; D142-I144 PolarHBondContact O-N 3.35Å; I144-K147 PolarHBondContact O-N 3.42Å; I144-E148 PolarHBondContact O-N 3.42Å |
| 145 | H | 74.3 | Confident | 77.7 | Confident | 113 Ų | 113 | 91.6 Ų | 91.6 | 52% | 0.523 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 178 | -82.1 | -46 | 0 | 0 | 0 | 112.9 | N141 D142 E148 V149 | N141-H145 PolarHBondContact O-N 3.08Å; D142-H145 PolarHBondContact O-N 3.26Å; D142-H145 VanDerWaalsContact O-N 3.1Å; H145-E148 IonicContact ND1-OE2 2.75Å; H145-E148 PolarHBondContact O-N 3.49Å; H145-V149 WeakPolarHBondContact O-CG2 3.45Å; H145-V149 PolarHBondContact O-N 3.44Å |
| 146 | E | 76.9 | Confident | 77.9 | Confident | 72 Ų | 72 | 91.3 Ų | 91.3 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 173.9 | -75.1 | -178.6 | 168.7 | 0 | 0 | 111.3 | D142 E148 V149 F150 | D142-E146 WeakPolarHBondContact O-CB 3.31Å; D142-E146 WeakPolarHBondContact O-CG 3.38Å; D142-E146 PolarHBondContact O-N 3.37Å; E146-E148 VanDerWaalsContact C-N 3.29Å; E146-E148 PolarHBondContact O-N 3.02Å; E146-V149 WeakPolarHBondContact O-CA 3.49Å; E146-V149 WeakPolarHBondContact O-CB 3.49Å; E146-V149 PolarHBondContact O-N 3.26Å; E146-F150 HydrophobicContact CB-CD2 4.44Å; E146-F150 HydrophobicContact CB-CE2 4.17Å; E146-F150 WeakPolarHBondContact O-CD2 3.43Å; E146-F150 PolarHBondContact O-N 3.11Å |
| 147 | K | 78.7 | Confident | 78.4 | Confident | 133 Ų | 133 | 86.3 Ų | 86.3 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.6 | -42.3 | 177 | -176.5 | 177.1 | 178.5 | -176.7 | 0 | 111.9 | Y143 I144 H151 | Y143-K147 WeakPolarHBondContact O-CB 3.26Å; Y143-K147 PolarHBondContact O-N 2.7Å; I144-K147 PolarHBondContact O-N 3.42Å; K147-H151 WeakPolarHBondContact O-CB 3.48Å; K147-H151 PolarHBondContact O-N 3.25Å |
| 148 | E | 82.4 | Confident | 79.4 | Confident | 86 Ų | 86 | 81.9 Ų | 81.9 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 173.8 | -69.6 | -172.2 | 170.7 | 0 | 0 | 113 | I144 H145 E146 H151 R152 | I144-E148 PolarHBondContact O-N 3.42Å; H145-E148 IonicContact ND1-OE2 2.75Å; H145-E148 PolarHBondContact O-N 3.49Å; E146-E148 VanDerWaalsContact C-N 3.29Å; E146-E148 PolarHBondContact O-N 3.02Å; E148-H151 PolarHBondContact O-N 3.26Å; E148-R152 WeakPolarHBondContact O-CG 3.48Å; E148-R152 PolarHBondContact O-N 2.99Å; E148-R152 PolarHBondContact O-NE 3.23Å; E148-R152 IonicContact OE2-CZ 3.95Å; E148-R152 VanDerWaalsContact OE2-CZ 3.28Å; E148-R152 IonicContact OE2-NH1 2.7Å; E148-R152 PolarHBondContact OE2-NH1 3.44Å; E148-R152 IonicContact OE2-NH2 3.26Å; E148-R152 PolarHBondContact OE2-NH2 3.38Å |
| 149 | V | 84.9 | Confident | 80.5 | Confident | 20 Ų | 20 | 81.4 Ų | 81.4 | 12% | 0.121 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 178 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | H145 E146 H151 R152 L153 W400 L401 | H145-V149 WeakPolarHBondContact O-CG2 3.45Å; H145-V149 PolarHBondContact O-N 3.44Å; E146-V149 WeakPolarHBondContact O-CA 3.49Å; E146-V149 WeakPolarHBondContact O-CB 3.49Å; E146-V149 PolarHBondContact O-N 3.26Å; V149-H151 VanDerWaalsContact C-N 3.31Å; V149-H151 PolarHBondContact O-N 3.48Å; V149-R152 PolarHBondContact O-N 3.48Å; V149-L153 HydrophobicContact CG1-CD1 4.04Å; V149-L153 HydrophobicContact CG1-CG 4.48Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 2.96Å; V149-W400 HydrophobicContact CG1-CH2 4.38Å; V149-W400 HydrophobicContact CG1-CZ3 3.92Å; V149-L401 HydrophobicContact CB-CD1 4.34Å; V149-L401 HydrophobicContact CG1-CD1 3.54Å; V149-L401 HydrophobicContact CG2-CD1 3.74Å |
| 150 | F | 84.2 | Confident | 81.8 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 175.1 | -68.1 | -62.1 | 0 | 0 | 0 | 111.9 | E146 L153 Y154 W400 | E146-F150 HydrophobicContact CB-CD2 4.44Å; E146-F150 HydrophobicContact CB-CE2 4.17Å; E146-F150 WeakPolarHBondContact O-CD2 3.43Å; E146-F150 PolarHBondContact O-N 3.11Å; F150-L153 PolarHBondContact O-N 3.12Å; F150-Y154 WeakPolarHBondContact O-CB 3.44Å; F150-Y154 PolarHBondContact O-N 2.92Å; F150-W400 AromaticContact CE1-CH2 3.83Å; F150-W400 HydrophobicContact CE1-CH2 3.83Å; F150-W400 HydrophobicContact CE1-CZ2 4.2Å; F150-W400 HydrophobicContact CZ-CH2 4.03Å; F150-W400 HydrophobicContact CZ-CZ2 4.45Å |
| 151 | H | 84.9 | Confident | 83.2 | Confident | 84 Ų | 84 | 71 Ų | 71 | 39% | 0.389 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 174.7 | -167.1 | -39.1 | 0 | 0 | 0 | 112.7 | K147 E148 V149 Y154 I155 | K147-H151 WeakPolarHBondContact O-CB 3.48Å; K147-H151 PolarHBondContact O-N 3.25Å; E148-H151 PolarHBondContact O-N 3.26Å; V149-H151 VanDerWaalsContact C-N 3.31Å; V149-H151 PolarHBondContact O-N 3.48Å; H151-Y154 PolarHBondContact O-N 3.03Å; H151-I155 WeakPolarHBondContact ND1-CD1 3.49Å; H151-I155 WeakPolarHBondContact O-CG1 3.49Å; H151-I155 PolarHBondContact O-N 3.5Å; H151-I155 VanDerWaalsContact O-N 3.16Å |
| 152 | R | 87.9 | Confident | 84.8 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 174.1 | -77.4 | -179.6 | -78.9 | -103 | 1.5 | 111.3 | E148 V149 Y154 I155 I156 | E148-R152 WeakPolarHBondContact O-CG 3.48Å; E148-R152 PolarHBondContact O-N 2.99Å; E148-R152 PolarHBondContact O-NE 3.23Å; E148-R152 IonicContact OE2-CZ 3.95Å; E148-R152 VanDerWaalsContact OE2-CZ 3.28Å; E148-R152 IonicContact OE2-NH1 2.7Å; E148-R152 PolarHBondContact OE2-NH1 3.44Å; E148-R152 IonicContact OE2-NH2 3.26Å; E148-R152 PolarHBondContact OE2-NH2 3.38Å; V149-R152 PolarHBondContact O-N 3.48Å; R152-Y154 PolarHBondContact O-N 2.87Å; R152-I155 PolarHBondContact O-N 2.74Å; R152-I156 WeakPolarHBondContact O-CD1 3.43Å; R152-I156 VanDerWaalsContact O-CG1 3.3Å; R152-I156 WeakPolarHBondContact O-CG1 3.44Å; R152-I156 PolarHBondContact O-N 2.95Å; R152-I156 VanDerWaalsContact O-N 3.16Å |
| 153 | L | 88.4 | Confident | 86.2 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.1 | -66.7 | 171.3 | 0 | 0 | 0 | 111.9 | V149 F150 I155 I156 Y157 W400 M404 H405 M408 | V149-L153 HydrophobicContact CG1-CD1 4.04Å; V149-L153 HydrophobicContact CG1-CG 4.48Å; V149-L153 WeakPolarHBondContact O-CG 3.43Å; V149-L153 PolarHBondContact O-N 2.96Å; F150-L153 PolarHBondContact O-N 3.12Å; L153-I155 PolarHBondContact O-N 3.47Å; L153-I156 PolarHBondContact O-N 3.45Å; L153-Y157 WeakPolarHBondContact O-CD1 3.33Å; L153-Y157 PolarHBondContact O-N 3.44Å; L153-W400 HydrophobicContact CD1-CH2 4.47Å; L153-M404 HydrophobicContact CD1-CB 3.98Å; L153-M404 HydrophobicContact CD2-CB 4.11Å; L153-H405 HydrophobicContact CD2-CB 4.48Å; L153-M408 HydrophobicContact CD2-CB 4.29Å; L153-M408 HydrophobicContact CD2-CG 4.09Å |
| 154 | Y | 87.8 | Confident | 87.5 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -49.3 | 175.6 | 175.2 | -99.3 | 0 | 0 | 0 | 112.6 | F150 H151 R152 I156 Y157 T158 | F150-Y154 WeakPolarHBondContact O-CB 3.44Å; F150-Y154 PolarHBondContact O-N 2.92Å; H151-Y154 PolarHBondContact O-N 3.03Å; R152-Y154 PolarHBondContact O-N 2.87Å; Y154-I156 PolarHBondContact O-N 3.14Å; Y154-Y157 HydrophobicContact CD2-CE1 4.49Å; Y154-Y157 HydrophobicContact CD2-CE2 4.26Å; Y154-Y157 AromaticContact CD2-CZ 3.83Å; Y154-Y157 WeakPolarHBondContact CD2-OH 3.5Å; Y154-T158 WeakPolarHBondContact O-CB 3.24Å; Y154-T158 PolarHBondContact O-N 3.33Å; Y154-T158 PolarHBondContact O-OG1 3.28Å |
| 155 | I | 88.7 | Confident | 88.7 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 176.9 | -64.9 | 163.9 | 0 | 0 | 0 | 110.4 | H151 R152 L153 Y157 T158 V159 | H151-I155 WeakPolarHBondContact ND1-CD1 3.49Å; H151-I155 WeakPolarHBondContact O-CG1 3.49Å; H151-I155 PolarHBondContact O-N 3.5Å; H151-I155 VanDerWaalsContact O-N 3.16Å; R152-I155 PolarHBondContact O-N 2.74Å; L153-I155 PolarHBondContact O-N 3.47Å; I155-Y157 PolarHBondContact O-N 3.2Å; I155-T158 PolarHBondContact O-N 3.11Å; I155-V159 HydrophobicContact CG2-CG2 4.19Å; I155-V159 WeakPolarHBondContact O-CB 3.43Å; I155-V159 WeakPolarHBondContact O-CG2 3.33Å; I155-V159 PolarHBondContact O-N 3.25Å |
| 156 | I | 90.8 | Very high | 89.8 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -52.4 | -175.9 | -69.8 | 164.1 | 0 | 0 | 0 | 110.8 | R152 L153 Y154 G160 M408 L409 | R152-I156 WeakPolarHBondContact O-CD1 3.43Å; R152-I156 VanDerWaalsContact O-CG1 3.3Å; R152-I156 WeakPolarHBondContact O-CG1 3.44Å; R152-I156 PolarHBondContact O-N 2.95Å; R152-I156 VanDerWaalsContact O-N 3.16Å; L153-I156 PolarHBondContact O-N 3.45Å; Y154-I156 PolarHBondContact O-N 3.14Å; I156-G160 PolarHBondContact O-N 2.96Å; I156-G160 VanDerWaalsContact O-N 3.07Å; I156-M408 HydrophobicContact CG2-CB 4.47Å; I156-L409 HydrophobicContact CG2-CB 4.15Å; I156-L409 HydrophobicContact CG2-CD1 4.08Å |
| 157 | Y | 91.9 | Very high | 90.7 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.6 | -36.7 | -178.4 | 74.5 | -116.4 | 0 | 0 | 0 | 112.5 | L153 Y154 I155 V159 G160 Y161 I203 D207 M408 | L153-Y157 WeakPolarHBondContact O-CD1 3.33Å; L153-Y157 PolarHBondContact O-N 3.44Å; Y154-Y157 HydrophobicContact CD2-CE1 4.49Å; Y154-Y157 HydrophobicContact CD2-CE2 4.26Å; Y154-Y157 AromaticContact CD2-CZ 3.83Å; Y154-Y157 WeakPolarHBondContact CD2-OH 3.5Å; I155-Y157 PolarHBondContact O-N 3.2Å; Y157-V159 PolarHBondContact O-N 2.9Å; Y157-G160 PolarHBondContact O-N 3Å; Y157-Y161 HydrophobicContact CD2-CD2 4.19Å; Y157-Y161 HydrophobicContact CD2-CE2 4.5Å; Y157-Y161 WeakPolarHBondContact O-CB 3.33Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.35Å; Y157-Y161 PolarHBondContact O-N 3.17Å; Y157-I203 HydrophobicContact CD2-CG2 4.18Å; Y157-I203 HydrophobicContact CE2-CG2 3.9Å; Y157-D207 PolarHBondContact OH-OD1 3.35Å; Y157-M408 HydrophobicContact CD1-SD 4.01Å |
| 158 | T | 91.2 | Very high | 91.6 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 179.9 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | Y154 I155 S162 F204 | Y154-T158 WeakPolarHBondContact O-CB 3.24Å; Y154-T158 PolarHBondContact O-N 3.33Å; Y154-T158 PolarHBondContact O-OG1 3.28Å; I155-T158 PolarHBondContact O-N 3.11Å; T158-S162 VanDerWaalsContact O-CB 3.3Å; T158-S162 WeakPolarHBondContact O-CB 3.43Å; T158-S162 PolarHBondContact O-N 3.4Å; T158-S162 VanDerWaalsContact O-N 3.07Å; T158-S162 PolarHBondContact O-OG 3.46Å; T158-F204 HydrophobicContact CG2-CE1 4.23Å |
| 159 | V | 94.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 46.6 Ų | 46.6 | 44% | 0.442 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | I155 Y157 S162 I163 | I155-V159 HydrophobicContact CG2-CG2 4.19Å; I155-V159 WeakPolarHBondContact O-CB 3.43Å; I155-V159 WeakPolarHBondContact O-CG2 3.33Å; I155-V159 PolarHBondContact O-N 3.25Å; Y157-V159 PolarHBondContact O-N 2.9Å; V159-S162 PolarHBondContact O-N 2.97Å; V159-I163 HydrophobicContact CG1-CD1 3.81Å; V159-I163 WeakPolarHBondContact O-CG1 3.41Å; V159-I163 PolarHBondContact O-N 2.83Å |
| 160 | G | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I156 Y157 S162 I163 S164 S412 | I156-G160 PolarHBondContact O-N 2.96Å; I156-G160 VanDerWaalsContact O-N 3.07Å; Y157-G160 PolarHBondContact O-N 3Å; G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 3.02Å; G160-I163 PolarHBondContact O-N 3.12Å; G160-S164 VanDerWaalsContact O-CB 3.26Å; G160-S164 WeakPolarHBondContact O-CB 3.42Å; G160-S164 PolarHBondContact O-N 3.5Å; G160-S412 CarbonylContact C-O 3.6Å |
| 161 | Y | 95.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -31.2 | 177.5 | -75.9 | -62.6 | 0 | 0 | 0 | 112.3 | Y157 S164 L165 R199 A200 I203 | Y157-Y161 HydrophobicContact CD2-CD2 4.19Å; Y157-Y161 HydrophobicContact CD2-CE2 4.5Å; Y157-Y161 WeakPolarHBondContact O-CB 3.33Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.35Å; Y157-Y161 PolarHBondContact O-N 3.17Å; Y161-S164 PolarHBondContact O-N 2.89Å; Y161-L165 WeakPolarHBondContact O-CB 3.3Å; Y161-L165 PolarHBondContact O-N 2.93Å; Y161-R199 PolarHBondContact OH-NE 3.43Å; Y161-R199 PolarHBondContact OH-NH2 3.47Å; Y161-A200 HydrophobicContact CD1-CB 3.98Å; Y161-A200 HydrophobicContact CG-CB 4.41Å; Y161-I203 HydrophobicContact CD1-CD1 4.5Å; Y161-I203 HydrophobicContact CD2-CD1 3.95Å; Y161-I203 HydrophobicContact CE1-CD1 4Å; Y161-I203 HydrophobicContact CE2-CD1 3.39Å; Y161-I203 HydrophobicContact CG-CD1 4.49Å; Y161-I203 VanDerWaalsContact CZ-CD1 3.4Å |
| 162 | S | 95.8 | Very high | 93.8 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 173.8 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | T158 V159 G160 L165 G166 | T158-S162 VanDerWaalsContact O-CB 3.3Å; T158-S162 WeakPolarHBondContact O-CB 3.43Å; T158-S162 PolarHBondContact O-N 3.4Å; T158-S162 VanDerWaalsContact O-N 3.07Å; T158-S162 PolarHBondContact O-OG 3.46Å; V159-S162 PolarHBondContact O-N 2.97Å; G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 3.02Å; S162-L165 PolarHBondContact O-N 2.83Å; S162-G166 PolarHBondContact O-N 3.21Å; S162-G166 VanDerWaalsContact O-N 3.11Å |
| 163 | I | 96.3 | Very high | 94.2 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.3 | -67.1 | 166.8 | 0 | 0 | 0 | 110.7 | V159 G160 S167 F413 F416 | V159-I163 HydrophobicContact CG1-CD1 3.81Å; V159-I163 WeakPolarHBondContact O-CG1 3.41Å; V159-I163 PolarHBondContact O-N 2.83Å; G160-I163 PolarHBondContact O-N 3.12Å; I163-S167 WeakPolarHBondContact O-CB 3.29Å; I163-S167 PolarHBondContact O-N 2.86Å; I163-S167 VanDerWaalsContact O-N 3.07Å; I163-S167 PolarHBondContact O-OG 3.45Å; I163-F413 HydrophobicContact CB-CE1 4.43Å; I163-F413 HydrophobicContact CD1-CE1 3.88Å; I163-F413 HydrophobicContact CD1-CZ 4.18Å; I163-F413 HydrophobicContact CG2-CE1 4.4Å; I163-F416 HydrophobicContact CG2-CB 4.48Å; I163-F416 HydrophobicContact CG2-CD2 3.66Å; I163-F416 HydrophobicContact CG2-CE2 3.9Å; I163-F416 HydrophobicContact CG2-CG 4.03Å; I163-F416 HydrophobicContact CG2-CZ 4.47Å |
| 164 | S | 96.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -50.2 | 175.3 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | G160 Y161 G166 S167 I168 S412 G415 F416 | G160-S164 VanDerWaalsContact O-CB 3.26Å; G160-S164 WeakPolarHBondContact O-CB 3.42Å; G160-S164 PolarHBondContact O-N 3.5Å; Y161-S164 PolarHBondContact O-N 2.89Å; S164-G166 PolarHBondContact O-N 3.46Å; S164-S167 PolarHBondContact O-N 3.44Å; S164-S167 PolarHBondContact O-OG 3.49Å; S164-I168 WeakPolarHBondContact O-CB 3.33Å; S164-I168 WeakPolarHBondContact O-CD1 3.49Å; S164-I168 WeakPolarHBondContact O-CG1 3.31Å; S164-I168 PolarHBondContact O-N 2.81Å; S164-I168 WeakPolarHBondContact OG-CD1 3.3Å; S164-S412 WeakPolarHBondContact CB-O 3.44Å; S164-G415 VanDerWaalsContact OG-CA 3.27Å; S164-G415 WeakPolarHBondContact OG-CA 3.32Å; S164-F416 PolarHBondContact OG-N 3.26Å |
| 165 | L | 96.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 179.8 | -175.4 | 69.5 | 0 | 0 | 0 | 111.8 | Y161 S162 M169 M197 A200 V201 F204 | Y161-L165 WeakPolarHBondContact O-CB 3.3Å; Y161-L165 PolarHBondContact O-N 2.93Å; S162-L165 PolarHBondContact O-N 2.83Å; L165-M169 WeakPolarHBondContact O-CB 3.29Å; L165-M169 PolarHBondContact O-N 3.44Å; L165-M197 HydrophobicContact CD1-CB 4Å; L165-M197 HydrophobicContact CD1-CE 3.52Å; L165-M197 HydrophobicContact CD1-CG 4.03Å; L165-M197 HydrophobicContact CG-CE 4.31Å; L165-A200 HydrophobicContact CB-CB 4.44Å; L165-A200 HydrophobicContact CD1-CB 4.26Å; L165-V201 HydrophobicContact CD1-CG2 4.07Å; L165-V201 HydrophobicContact CD2-CG2 4.37Å; L165-F204 HydrophobicContact CD2-CE2 4.19Å |
| 166 | G | 97.3 | Very high | 94.8 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -44 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S162 S164 M169 V170 | S162-G166 PolarHBondContact O-N 3.21Å; S162-G166 VanDerWaalsContact O-N 3.11Å; S164-G166 PolarHBondContact O-N 3.46Å; G166-M169 PolarHBondContact O-N 3.41Å; G166-V170 WeakPolarHBondContact O-CG2 3.17Å; G166-V170 PolarHBondContact O-N 3.42Å |
| 167 | S | 96.8 | Very high | 95 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 12% | 0.119 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.7 | -40.4 | 179.3 | 58.9 | 0 | 0 | 0 | 0 | 113 | I163 S164 V170 A171 F424 | I163-S167 WeakPolarHBondContact O-CB 3.29Å; I163-S167 PolarHBondContact O-N 2.86Å; I163-S167 VanDerWaalsContact O-N 3.07Å; I163-S167 PolarHBondContact O-OG 3.45Å; S164-S167 PolarHBondContact O-N 3.44Å; S164-S167 PolarHBondContact O-OG 3.49Å; S167-V170 PolarHBondContact O-N 2.89Å; S167-A171 PolarHBondContact O-N 3.41Å; S167-A171 VanDerWaalsContact O-N 3.1Å; S167-F424 WeakPolarHBondContact O-CZ 3.28Å |
| 168 | I | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.2 | -65 | 163.4 | 0 | 0 | 0 | 111.1 | S164 V170 A171 V172 F193 Y196 M197 A419 | S164-I168 WeakPolarHBondContact O-CB 3.33Å; S164-I168 WeakPolarHBondContact O-CD1 3.49Å; S164-I168 WeakPolarHBondContact O-CG1 3.31Å; S164-I168 PolarHBondContact O-N 2.81Å; S164-I168 WeakPolarHBondContact OG-CD1 3.3Å; I168-V170 VanDerWaalsContact C-N 3.26Å; I168-V170 PolarHBondContact O-N 2.96Å; I168-A171 CarbonylContact O-C 3.6Å; I168-A171 WeakPolarHBondContact O-CA 3.43Å; I168-A171 WeakPolarHBondContact O-CB 3.38Å; I168-A171 PolarHBondContact O-N 3.31Å; I168-V172 HydrophobicContact CG2-CG2 4.04Å; I168-V172 WeakPolarHBondContact O-CG2 3.49Å; I168-V172 PolarHBondContact O-N 3.29Å; I168-F193 HydrophobicContact CG1-CD1 4.44Å; I168-F193 HydrophobicContact CG2-CB 3.59Å; I168-F193 HydrophobicContact CG2-CD1 4Å; I168-F193 HydrophobicContact CG2-CG 3.94Å; I168-Y196 HydrophobicContact CD1-CG 4.36Å; I168-M197 HydrophobicContact CB-CG 4.14Å; I168-M197 HydrophobicContact CG2-CG 3.57Å; I168-M197 HydrophobicContact CG2-SD 4.06Å; I168-A419 HydrophobicContact CG1-CB 4.04Å |
| 169 | M | 96.5 | Very high | 94.9 | Very high | 110 Ų | 110 | 52 Ų | 52 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | -179.9 | -161.9 | 171 | 81.3 | 0 | 0 | 111.4 | L165 G166 V173 M197 | L165-M169 WeakPolarHBondContact O-CB 3.29Å; L165-M169 PolarHBondContact O-N 3.44Å; G166-M169 PolarHBondContact O-N 3.41Å; M169-V173 VanDerWaalsContact O-CG2 3.3Å; M169-V173 WeakPolarHBondContact O-CG2 3.5Å; M169-V173 PolarHBondContact O-N 2.99Å; M169-V173 VanDerWaalsContact O-N 3.11Å; M169-M197 HydrophobicContact CB-CE 3.63Å; M169-M197 HydrophobicContact CB-SD 4.15Å; M169-M197 HydrophobicContact CG-CE 3.69Å; M169-M197 HydrophobicContact CG-SD 4.34Å; M169-M197 HydrophobicContact SD-CE 3.98Å |
| 170 | V | 96.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 172.1 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | G166 S167 I168 V173 I174 F424 | G166-V170 WeakPolarHBondContact O-CG2 3.17Å; G166-V170 PolarHBondContact O-N 3.42Å; S167-V170 PolarHBondContact O-N 2.89Å; I168-V170 VanDerWaalsContact C-N 3.26Å; I168-V170 PolarHBondContact O-N 2.96Å; V170-V173 PolarHBondContact O-N 3.27Å; V170-I174 HydrophobicContact CG1-CD1 3.81Å; V170-I174 HydrophobicContact CG1-CG1 4.46Å; V170-I174 VanDerWaalsContact O-CG1 3.29Å; V170-I174 WeakPolarHBondContact O-CG1 3.46Å; V170-I174 PolarHBondContact O-N 3.42Å; V170-F424 HydrophobicContact CB-CZ 4.32Å; V170-F424 HydrophobicContact CG1-CE1 4.01Å; V170-F424 HydrophobicContact CG1-CZ 4.12Å |
| 171 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | S167 I168 V173 I174 L175 F193 A419 C423 F424 | S167-A171 PolarHBondContact O-N 3.41Å; S167-A171 VanDerWaalsContact O-N 3.1Å; I168-A171 CarbonylContact O-C 3.6Å; I168-A171 WeakPolarHBondContact O-CA 3.43Å; I168-A171 WeakPolarHBondContact O-CB 3.38Å; I168-A171 PolarHBondContact O-N 3.31Å; A171-V173 PolarHBondContact O-N 3.36Å; A171-I174 PolarHBondContact O-N 2.94Å; A171-L175 PolarHBondContact O-N 3.05Å; A171-F193 HydrophobicContact CB-CD2 4.47Å; A171-F193 HydrophobicContact CB-CE2 4.04Å; A171-F193 HydrophobicContact CB-CZ 4.25Å; A171-A419 HydrophobicContact CB-CB 4.36Å; A171-C423 HydrophobicContact CB-CB 3.64Å; A171-F424 HydrophobicContact CB-CZ 4.35Å |
| 172 | V | 95.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 111 | I168 I174 L175 G176 M190 F193 | I168-V172 HydrophobicContact CG2-CG2 4.04Å; I168-V172 WeakPolarHBondContact O-CG2 3.49Å; I168-V172 PolarHBondContact O-N 3.29Å; V172-I174 PolarHBondContact O-N 2.89Å; V172-L175 PolarHBondContact O-N 3.36Å; V172-G176 PolarHBondContact O-N 2.95Å; V172-M190 HydrophobicContact CG1-CE 4.14Å; V172-F193 HydrophobicContact CG2-CB 3.57Å; V172-F193 HydrophobicContact CG2-CD2 4.13Å; V172-F193 HydrophobicContact CG2-CG 4.21Å |
| 173 | V | 95.1 | Very high | 93.8 | Very high | 94 Ų | 94 | 61.9 Ų | 61.9 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 175.7 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | M169 V170 A171 Y177 | M169-V173 VanDerWaalsContact O-CG2 3.3Å; M169-V173 WeakPolarHBondContact O-CG2 3.5Å; M169-V173 PolarHBondContact O-N 2.99Å; M169-V173 VanDerWaalsContact O-N 3.11Å; V170-V173 PolarHBondContact O-N 3.27Å; A171-V173 PolarHBondContact O-N 3.36Å; V173-Y177 WeakPolarHBondContact O-CB 3.23Å; V173-Y177 PolarHBondContact O-N 3.08Å |
| 174 | I | 94.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 177 | -72.9 | 166.9 | 0 | 0 | 0 | 111.2 | V170 A171 V172 G176 Y177 F178 F424 V429 I433 | V170-I174 HydrophobicContact CG1-CD1 3.81Å; V170-I174 HydrophobicContact CG1-CG1 4.46Å; V170-I174 VanDerWaalsContact O-CG1 3.29Å; V170-I174 WeakPolarHBondContact O-CG1 3.46Å; V170-I174 PolarHBondContact O-N 3.42Å; A171-I174 PolarHBondContact O-N 2.94Å; V172-I174 PolarHBondContact O-N 2.89Å; I174-G176 PolarHBondContact O-N 3.4Å; I174-Y177 PolarHBondContact O-N 2.96Å; I174-F178 HydrophobicContact CG2-CD2 4.05Å; I174-F178 HydrophobicContact CG2-CE2 4.23Å; I174-F178 VanDerWaalsContact O-CD2 3.31Å; I174-F178 WeakPolarHBondContact O-CD2 3.44Å; I174-F178 PolarHBondContact O-N 3.37Å; I174-F424 HydrophobicContact CD1-CD1 4.47Å; I174-F424 HydrophobicContact CD1-CE1 3.92Å; I174-V429 HydrophobicContact CG2-CG1 3.61Å; I174-I433 HydrophobicContact CD1-CD1 4.35Å; I174-I433 HydrophobicContact CG2-CD1 4.34Å |
| 175 | L | 92.6 | Very high | 93 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | -179.6 | -66 | -174.8 | 0 | 0 | 0 | 112.2 | A171 V172 L181 H182 M190 F193 V429 | A171-L175 PolarHBondContact O-N 3.05Å; V172-L175 PolarHBondContact O-N 3.36Å; L175-L181 HydrophobicContact CD2-CB 4.46Å; L175-L181 HydrophobicContact CD2-CD1 3.87Å; L175-H182 PolarHBondContact O-CD2 3.42Å; L175-H182 PolarHBondContact O-NE2 3.29Å; L175-M190 HydrophobicContact CB-CE 4.38Å; L175-M190 HydrophobicContact CB-CG 3.95Å; L175-M190 HydrophobicContact CB-SD 3.79Å; L175-M190 HydrophobicContact CD1-CG 3.85Å; L175-F193 HydrophobicContact CD1-CD2 4.24Å; L175-F193 HydrophobicContact CD1-CE2 3.8Å; L175-V429 HydrophobicContact CD2-CG2 4.22Å |
| 176 | G | 91.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V172 I174 H182 | V172-G176 PolarHBondContact O-N 2.95Å; I174-G176 PolarHBondContact O-N 3.4Å; G176-H182 WeakPolarHBondContact CA-NE2 3.5Å; G176-H182 PolarHBondContact O-CE1 2.83Å; G176-H182 PolarHBondContact O-NE2 3.49Å |
| 177 | Y | 93.3 | Very high | 92.5 | Very high | 172 Ų | 172 | 65.1 Ų | 65.1 | 68% | 0.675 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.5 | -44.8 | -176.8 | 179.6 | -97.3 | 0 | 0 | 0 | 113.3 | V173 I174 R179 | V173-Y177 WeakPolarHBondContact O-CB 3.23Å; V173-Y177 PolarHBondContact O-N 3.08Å; I174-Y177 PolarHBondContact O-N 2.96Å; Y177-R179 PolarHBondContact O-N 3.35Å; Y177-R179 VanDerWaalsContact O-N 3.13Å |
| 178 | F | 92.9 | Very high | 92.3 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | trans | -84.3 | 90.6 | -176.5 | -69.3 | -66.3 | 0 | 0 | 0 | 111.9 | I174 R180 L181 E432 I433 | I174-F178 HydrophobicContact CG2-CD2 4.05Å; I174-F178 HydrophobicContact CG2-CE2 4.23Å; I174-F178 VanDerWaalsContact O-CD2 3.31Å; I174-F178 WeakPolarHBondContact O-CD2 3.44Å; I174-F178 PolarHBondContact O-N 3.37Å; F178-R180 PolarHBondContact O-N 3.05Å; F178-L181 HydrophobicContact CB-CD1 3.82Å; F178-L181 HydrophobicContact CB-CG 3.91Å; F178-L181 HydrophobicContact CD2-CD1 4.33Å; F178-L181 HydrophobicContact CG-CD1 4.47Å; F178-L181 WeakPolarHBondContact O-CB 3.44Å; F178-L181 PolarHBondContact O-N 3.46Å; F178-E432 HydrophobicContact CD1-CB 4.48Å; F178-I433 HydrophobicContact CE2-CG1 3.85Å; F178-I433 HydrophobicContact CZ-CG1 4.2Å | ||
| 179 | R | 89.4 | Confident | 92.1 | Very high | 211 Ų | 211 | 65 Ų | 65 | 80% | 0.796 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -47.6 | -24.3 | 174 | -71.8 | -178.7 | 176.6 | 151.4 | -0.6 | 115.7 | Y177 L181 H182 | Y177-R179 PolarHBondContact O-N 3.35Å; Y177-R179 VanDerWaalsContact O-N 3.13Å; R179-L181 PolarHBondContact O-N 3.38Å; R179-H182 WeakPolarHBondContact O-CB 3.17Å; R179-H182 PolarHBondContact O-N 3.05Å |
| 180 | R | 88.3 | Confident | 92 | Very high | 197 Ų | 197 | 61.6 Ų | 61.6 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -70.5 | -15.1 | 174.4 | -79.4 | -176.6 | 171.4 | -89.6 | -4.4 | 114.2 | F178 E432 | F178-R180 PolarHBondContact O-N 3.05Å; R180-E432 HydrophobicContact CB-CG 4.44Å; R180-E432 WeakPolarHBondContact CD-OE1 3.41Å; R180-E432 IonicContact NE-OE1 2.8Å |
| 181 | L | 89.3 | Confident | 92 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -97.7 | 4.7 | 176.3 | -55.1 | -179.9 | 0 | 0 | 0 | 112.3 | L175 F178 R179 C183 N186 E428 V429 | L175-L181 HydrophobicContact CD2-CB 4.46Å; L175-L181 HydrophobicContact CD2-CD1 3.87Å; F178-L181 HydrophobicContact CB-CD1 3.82Å; F178-L181 HydrophobicContact CB-CG 3.91Å; F178-L181 HydrophobicContact CD2-CD1 4.33Å; F178-L181 HydrophobicContact CG-CD1 4.47Å; F178-L181 WeakPolarHBondContact O-CB 3.44Å; F178-L181 PolarHBondContact O-N 3.46Å; R179-L181 PolarHBondContact O-N 3.38Å; L181-C183 PolarHBondContact O-N 2.97Å; L181-N186 VanDerWaalsContact O-CB 3.28Å; L181-N186 WeakPolarHBondContact O-CB 3.5Å; L181-N186 PolarHBondContact O-ND2 2.89Å; L181-E428 HydrophobicContact CD2-CB 4.14Å; L181-V429 HydrophobicContact CD1-CG2 3.97Å |
| 182 | H | 90.2 | Very high | 91.9 | Very high | 90 Ų | 90 | 60.8 Ų | 60.8 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | trans | -78.7 | 90.8 | 179.8 | -69.3 | -169.1 | 0 | 0 | 0 | 110 | L175 G176 R179 Y187 | L175-H182 PolarHBondContact O-CD2 3.42Å; L175-H182 PolarHBondContact O-NE2 3.29Å; G176-H182 WeakPolarHBondContact CA-NE2 3.5Å; G176-H182 PolarHBondContact O-CE1 2.83Å; G176-H182 PolarHBondContact O-NE2 3.49Å; R179-H182 WeakPolarHBondContact O-CB 3.17Å; R179-H182 PolarHBondContact O-N 3.05Å; H182-Y187 HydrophobicContact CB-CE2 4.41Å | ||
| 183 | C | 89.2 | Confident | 91.9 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | trans | -136.6 | 154.2 | -177.6 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | L181 R185 N186 Y187 | L181-C183 PolarHBondContact O-N 2.97Å; C183-R185 VanDerWaalsContact C-N 3.35Å; C183-R185 PolarHBondContact O-N 3.27Å; C183-N186 CarbonylContact O-C 3.43Å; C183-N186 WeakPolarHBondContact O-CA 3.47Å; C183-N186 PolarHBondContact O-N 3.4Å; C183-Y187 VanDerWaalsContact O-CD2 3.22Å; C183-Y187 WeakPolarHBondContact O-CD2 3.38Å; C183-Y187 PolarHBondContact O-N 3.35Å | ||
| 184 | T | 87.9 | Confident | 92 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -51 | -48.6 | -177.8 | 46.8 | 0 | 0 | 0 | 0 | 113 | N186 Y187 I188 D280 L284 | T184-N186 VanDerWaalsContact C-N 3.3Å; T184-N186 PolarHBondContact O-N 2.82Å; T184-Y187 PolarHBondContact O-N 3.02Å; T184-I188 PolarHBondContact O-N 3.31Å; T184-I188 VanDerWaalsContact O-N 3.15Å; T184-D280 HydrophobicContact CG2-CB 4Å; T184-L284 HydrophobicContact CG2-CD1 4.48Å |
| 185 | R | 88.4 | Confident | 92.1 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 28% | 0.275 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -49.3 | -49.9 | 171.3 | -176.7 | -168.5 | 69.2 | -162.7 | -6.8 | 112 | C183 I188 H189 Y268 E428 | C183-R185 VanDerWaalsContact C-N 3.35Å; C183-R185 PolarHBondContact O-N 3.27Å; R185-I188 PolarHBondContact O-N 3.02Å; R185-H189 WeakPolarHBondContact CG-NE2 3.39Å; R185-H189 PolarHBondContact O-CD2 3.11Å; R185-H189 PolarHBondContact O-N 3.5Å; R185-H189 VanDerWaalsContact O-N 3.07Å; R185-Y268 HydrophobicContact CB-CE1 4.12Å; R185-Y268 HydrophobicContact CG-CE1 4.2Å; R185-Y268 PolarHBondContact N-OH 3.38Å; R185-E428 IonicContact CZ-OE1 2.92Å; R185-E428 IonicContact CZ-OE2 3.89Å; R185-E428 IonicContact NH1-OE1 2.78Å; R185-E428 PolarHBondContact NH1-OE1 3.47Å; R185-E428 IonicContact NH2-OE1 3.9Å; R185-E428 PolarHBondContact NH2-OE1 2.91Å; R185-E428 IonicContact NH2-OE2 2.7Å; R185-E428 PolarHBondContact NH2-OE2 3.11Å |
| 186 | N | 91.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.1 | -28 | -174 | -64.1 | 2.5 | 0 | 0 | 0 | 112.1 | L181 C183 T184 H189 M190 | L181-N186 VanDerWaalsContact O-CB 3.28Å; L181-N186 WeakPolarHBondContact O-CB 3.5Å; L181-N186 PolarHBondContact O-ND2 2.89Å; C183-N186 CarbonylContact O-C 3.43Å; C183-N186 WeakPolarHBondContact O-CA 3.47Å; C183-N186 PolarHBondContact O-N 3.4Å; T184-N186 VanDerWaalsContact C-N 3.3Å; T184-N186 PolarHBondContact O-N 2.82Å; N186-H189 PolarHBondContact O-N 3.39Å; N186-M190 VanDerWaalsContact O-CG 3.3Å; N186-M190 WeakPolarHBondContact O-CG 3.4Å; N186-M190 PolarHBondContact O-N 3.28Å |
| 187 | Y | 92 | Very high | 92.5 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 40% | 0.4 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 169.1 | -74.6 | -66.9 | 0 | 0 | 0 | 112 | H182 C183 T184 M190 H191 | H182-Y187 HydrophobicContact CB-CE2 4.41Å; C183-Y187 VanDerWaalsContact O-CD2 3.22Å; C183-Y187 WeakPolarHBondContact O-CD2 3.38Å; C183-Y187 PolarHBondContact O-N 3.35Å; T184-Y187 PolarHBondContact O-N 3.02Å; Y187-M190 PolarHBondContact O-N 3.02Å; Y187-H191 PolarHBondContact O-CD2 3.46Å; Y187-H191 VanDerWaalsContact O-CD2 3.28Å; Y187-H191 PolarHBondContact O-N 3.15Å |
| 188 | I | 92.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 174.8 | -67.4 | 169.5 | 0 | 0 | 0 | 110.3 | T184 R185 M190 H191 L192 W261 Y268 F287 | T184-I188 PolarHBondContact O-N 3.31Å; T184-I188 VanDerWaalsContact O-N 3.15Å; R185-I188 PolarHBondContact O-N 3.02Å; I188-M190 VanDerWaalsContact C-N 3.29Å; I188-M190 PolarHBondContact O-N 2.95Å; I188-H191 PolarHBondContact O-N 3.24Å; I188-H191 VanDerWaalsContact O-N 3.17Å; I188-L192 PolarHBondContact O-N 2.85Å; I188-W261 HydrophobicContact CG2-CZ3 4.27Å; I188-Y268 HydrophobicContact CD1-CD1 3.82Å; I188-Y268 HydrophobicContact CD1-CD2 3.36Å; I188-Y268 HydrophobicContact CD1-CE1 4.13Å; I188-Y268 HydrophobicContact CD1-CE2 3.69Å; I188-Y268 HydrophobicContact CD1-CG 3.43Å; I188-Y268 VanDerWaalsContact CD1-CG 3.43Å; I188-F287 HydrophobicContact CD1-CD2 4.5Å |
| 189 | H | 92.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -37.8 | 173.2 | -60.5 | -39.2 | 0 | 0 | 0 | 112.6 | R185 N186 L192 F193 E265 Y422 | R185-H189 WeakPolarHBondContact CG-NE2 3.39Å; R185-H189 PolarHBondContact O-CD2 3.11Å; R185-H189 PolarHBondContact O-N 3.5Å; R185-H189 VanDerWaalsContact O-N 3.07Å; N186-H189 PolarHBondContact O-N 3.39Å; H189-L192 PolarHBondContact O-N 3.45Å; H189-F193 WeakPolarHBondContact O-CB 3.45Å; H189-F193 VanDerWaalsContact O-CD2 3.26Å; H189-F193 WeakPolarHBondContact O-CD2 3.41Å; H189-F193 WeakPolarHBondContact O-CG 3.26Å; H189-F193 PolarHBondContact O-N 3.24Å; H189-E265 IonicContact CE1-OE1 2.76Å; H189-E265 PolarHBondContact CE1-OE1 2.92Å; H189-E265 VanDerWaalsContact CE1-OE1 3.26Å; H189-E265 IonicContact CG-OE1 2.81Å; H189-E265 IonicContact ND1-OE1 3.07Å; H189-E265 PolarHBondContact ND1-OE1 2.99Å; H189-Y422 AromaticContact CE1-CD1 3.86Å; H189-Y422 AromaticContact CE1-CD2 3.67Å; H189-Y422 AromaticContact CE1-CE1 3.7Å; H189-Y422 AromaticContact CE1-CE2 3.49Å; H189-Y422 VanDerWaalsContact CE1-CE2 3.49Å; H189-Y422 WeakPolarHBondContact CE1-CE2 3.46Å; H189-Y422 AromaticContact CE1-CG 3.84Å; H189-Y422 AromaticContact CE1-CZ 3.48Å; H189-Y422 VanDerWaalsContact CE1-CZ 3.48Å; H189-Y422 AromaticContact ND1-CD2 3.56Å; H189-Y422 AromaticContact ND1-CE2 3.56Å; H189-Y422 AromaticContact NE2-CD1 3.95Å |
| 190 | M | 93.6 | Very high | 93 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 19% | 0.192 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 175.4 | -74.8 | -179 | 81.7 | 0 | 0 | 112.7 | V172 L175 N186 Y187 I188 F193 V194 | V172-M190 HydrophobicContact CG1-CE 4.14Å; L175-M190 HydrophobicContact CB-CE 4.38Å; L175-M190 HydrophobicContact CB-CG 3.95Å; L175-M190 HydrophobicContact CB-SD 3.79Å; L175-M190 HydrophobicContact CD1-CG 3.85Å; N186-M190 VanDerWaalsContact O-CG 3.3Å; N186-M190 WeakPolarHBondContact O-CG 3.4Å; N186-M190 PolarHBondContact O-N 3.28Å; Y187-M190 PolarHBondContact O-N 3.02Å; I188-M190 VanDerWaalsContact C-N 3.29Å; I188-M190 PolarHBondContact O-N 2.95Å; M190-F193 PolarHBondContact O-N 2.89Å; M190-V194 VanDerWaalsContact O-CG2 3.31Å; M190-V194 WeakPolarHBondContact O-CG2 3.33Å; M190-V194 PolarHBondContact O-N 2.96Å |
| 191 | H | 95.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 26% | 0.264 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 173.3 | -78.6 | -66.1 | 0 | 0 | 0 | 112.2 | Y187 I188 V194 S195 W261 W292 | Y187-H191 PolarHBondContact O-CD2 3.46Å; Y187-H191 VanDerWaalsContact O-CD2 3.28Å; Y187-H191 PolarHBondContact O-N 3.15Å; I188-H191 PolarHBondContact O-N 3.24Å; I188-H191 VanDerWaalsContact O-N 3.17Å; H191-V194 PolarHBondContact O-N 3.42Å; H191-S195 PolarHBondContact O-N 3.28Å; H191-W261 HydrophobicContact CB-CD2 3.91Å; H191-W261 HydrophobicContact CB-CE3 3.68Å; H191-W261 HydrophobicContact CB-CH2 3.44Å; H191-W261 VanDerWaalsContact CB-CH2 3.44Å; H191-W261 HydrophobicContact CB-CZ2 3.66Å; H191-W261 HydrophobicContact CB-CZ3 3.44Å; H191-W261 VanDerWaalsContact CB-CZ3 3.44Å; H191-W261 AromaticContact CD2-CH2 3.8Å; H191-W261 AromaticContact CG-CH2 3.65Å; H191-W261 AromaticContact CG-CZ2 3.85Å; H191-W292 AromaticContact ND1-NE1 3.68Å |
| 192 | L | 94.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 173.7 | 178.1 | 70.2 | 0 | 0 | 0 | 111.4 | I188 H189 V194 S195 Y196 W261 I262 E265 V418 | I188-L192 PolarHBondContact O-N 2.85Å; H189-L192 PolarHBondContact O-N 3.45Å; L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 PolarHBondContact O-N 2.88Å; L192-S195 WeakPolarHBondContact O-CB 3.25Å; L192-S195 PolarHBondContact O-N 3.42Å; L192-S195 VanDerWaalsContact O-N 3.1Å; L192-S195 PolarHBondContact O-OG 3.5Å; L192-Y196 HydrophobicContact CD1-CD2 4.18Å; L192-Y196 HydrophobicContact CD1-CE2 3.68Å; L192-Y196 HydrophobicContact CD2-CE2 4.16Å; L192-Y196 HydrophobicContact CG-CD2 3.99Å; L192-Y196 HydrophobicContact CG-CE2 3.7Å; L192-Y196 WeakPolarHBondContact O-CD2 3.19Å; L192-Y196 PolarHBondContact O-N 3.05Å; L192-W261 HydrophobicContact CD1-CB 3.86Å; L192-I262 HydrophobicContact CD1-CG1 3.83Å; L192-E265 WeakPolarHBondContact CD2-OE1 3.36Å; L192-E265 WeakPolarHBondContact CD2-OE2 3.41Å; L192-V418 HydrophobicContact CD2-CG1 4.08Å |
| 193 | F | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 175.1 | -74.7 | -30.4 | 0 | 0 | 0 | 112.5 | I168 A171 V172 L175 H189 M190 S195 Y196 M197 V418 A419 C423 | I168-F193 HydrophobicContact CG1-CD1 4.44Å; I168-F193 HydrophobicContact CG2-CB 3.59Å; I168-F193 HydrophobicContact CG2-CD1 4Å; I168-F193 HydrophobicContact CG2-CG 3.94Å; A171-F193 HydrophobicContact CB-CD2 4.47Å; A171-F193 HydrophobicContact CB-CE2 4.04Å; A171-F193 HydrophobicContact CB-CZ 4.25Å; V172-F193 HydrophobicContact CG2-CB 3.57Å; V172-F193 HydrophobicContact CG2-CD2 4.13Å; V172-F193 HydrophobicContact CG2-CG 4.21Å; L175-F193 HydrophobicContact CD1-CD2 4.24Å; L175-F193 HydrophobicContact CD1-CE2 3.8Å; H189-F193 WeakPolarHBondContact O-CB 3.45Å; H189-F193 VanDerWaalsContact O-CD2 3.26Å; H189-F193 WeakPolarHBondContact O-CD2 3.41Å; H189-F193 WeakPolarHBondContact O-CG 3.26Å; H189-F193 PolarHBondContact O-N 3.24Å; M190-F193 PolarHBondContact O-N 2.89Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.43Å; F193-Y196 PolarHBondContact O-N 3.24Å; F193-M197 WeakPolarHBondContact O-CG 3.3Å; F193-M197 PolarHBondContact O-N 3.49Å; F193-V418 HydrophobicContact CE1-CG1 3.94Å; F193-A419 HydrophobicContact CE1-CB 4.26Å; F193-C423 HydrophobicContact CZ-CB 4.41Å |
| 194 | V | 96.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 29.5 Ų | 29.5 | 33% | 0.327 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | M190 H191 L192 Y196 M197 L198 W292 | M190-V194 VanDerWaalsContact O-CG2 3.31Å; M190-V194 WeakPolarHBondContact O-CG2 3.33Å; M190-V194 PolarHBondContact O-N 2.96Å; H191-V194 PolarHBondContact O-N 3.42Å; L192-V194 VanDerWaalsContact C-N 3.34Å; L192-V194 PolarHBondContact O-N 2.88Å; V194-Y196 PolarHBondContact O-N 2.92Å; V194-M197 PolarHBondContact O-N 2.98Å; V194-L198 HydrophobicContact CG1-CD1 3.76Å; V194-L198 HydrophobicContact CG1-CG 4.36Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 WeakPolarHBondContact O-CG 3.36Å; V194-L198 PolarHBondContact O-N 3.36Å; V194-W292 HydrophobicContact CG1-CH2 4.09Å; V194-W292 HydrophobicContact CG1-CZ2 4.4Å |
| 195 | S | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 174 | 82.9 | 0 | 0 | 0 | 0 | 112.7 | H191 L192 F193 L198 R199 N258 | H191-S195 PolarHBondContact O-N 3.28Å; L192-S195 WeakPolarHBondContact O-CB 3.25Å; L192-S195 PolarHBondContact O-N 3.42Å; L192-S195 VanDerWaalsContact O-N 3.1Å; L192-S195 PolarHBondContact O-OG 3.5Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.43Å; S195-L198 PolarHBondContact O-N 3.27Å; S195-R199 WeakPolarHBondContact O-CB 3.34Å; S195-R199 PolarHBondContact O-N 3.04Å; S195-N258 PolarHBondContact OG-ND2 3.47Å |
| 196 | Y | 95.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 175.2 | -79.3 | -68.6 | 0 | 0 | 0 | 112.2 | I168 L192 F193 V194 R199 A200 N258 I262 Q414 V418 | I168-Y196 HydrophobicContact CD1-CG 4.36Å; L192-Y196 HydrophobicContact CD1-CD2 4.18Å; L192-Y196 HydrophobicContact CD1-CE2 3.68Å; L192-Y196 HydrophobicContact CD2-CE2 4.16Å; L192-Y196 HydrophobicContact CG-CD2 3.99Å; L192-Y196 HydrophobicContact CG-CE2 3.7Å; L192-Y196 WeakPolarHBondContact O-CD2 3.19Å; L192-Y196 PolarHBondContact O-N 3.05Å; F193-Y196 PolarHBondContact O-N 3.24Å; V194-Y196 PolarHBondContact O-N 2.92Å; Y196-R199 PolarHBondContact O-N 2.96Å; Y196-A200 WeakPolarHBondContact O-CB 3.38Å; Y196-A200 PolarHBondContact O-N 2.85Å; Y196-N258 WeakPolarHBondContact CD1-ND2 3.16Å; Y196-N258 WeakPolarHBondContact CE1-ND2 3.22Å; Y196-N258 WeakPolarHBondContact CE1-OD1 3.45Å; Y196-I262 WeakPolarHBondContact OH-CD1 3.36Å; Y196-Q414 HydrophobicContact CE1-CB 4.25Å; Y196-Q414 HydrophobicContact CE1-CG 4.21Å; Y196-Q414 VanDerWaalsContact OH-CD 3.27Å; Y196-Q414 PolarHBondContact OH-NE2 3.47Å; Y196-V418 HydrophobicContact CE2-CG2 4.45Å |
| 197 | M | 96.5 | Very high | 93.7 | Very high | 35 Ų | 35 | 28.6 Ų | 28.6 | 17% | 0.172 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.9 | -70.3 | -163.2 | 72.2 | 0 | 0 | 111.7 | L165 I168 M169 F193 V194 A200 V201 | L165-M197 HydrophobicContact CD1-CB 4Å; L165-M197 HydrophobicContact CD1-CE 3.52Å; L165-M197 HydrophobicContact CD1-CG 4.03Å; L165-M197 HydrophobicContact CG-CE 4.31Å; I168-M197 HydrophobicContact CB-CG 4.14Å; I168-M197 HydrophobicContact CG2-CG 3.57Å; I168-M197 HydrophobicContact CG2-SD 4.06Å; M169-M197 HydrophobicContact CB-CE 3.63Å; M169-M197 HydrophobicContact CB-SD 4.15Å; M169-M197 HydrophobicContact CG-CE 3.69Å; M169-M197 HydrophobicContact CG-SD 4.34Å; M169-M197 HydrophobicContact SD-CE 3.98Å; F193-M197 WeakPolarHBondContact O-CG 3.3Å; F193-M197 PolarHBondContact O-N 3.49Å; V194-M197 PolarHBondContact O-N 2.98Å; M197-A200 PolarHBondContact O-N 2.9Å; M197-V201 WeakPolarHBondContact O-CB 3.44Å; M197-V201 WeakPolarHBondContact O-CG2 3.35Å; M197-V201 PolarHBondContact O-N 3.1Å |
| 198 | L | 96.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 28% | 0.277 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68 | -38.8 | 178.7 | -68.7 | 166.5 | 0 | 0 | 0 | 112.1 | V194 S195 V201 S202 F254 W292 | V194-L198 HydrophobicContact CG1-CD1 3.76Å; V194-L198 HydrophobicContact CG1-CG 4.36Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 WeakPolarHBondContact O-CG 3.36Å; V194-L198 PolarHBondContact O-N 3.36Å; S195-L198 PolarHBondContact O-N 3.27Å; L198-V201 PolarHBondContact O-N 3.44Å; L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 3.35Å; L198-S202 PolarHBondContact O-OG 3.24Å; L198-F254 HydrophobicContact CB-CB 4.42Å; L198-F254 HydrophobicContact CB-CD1 3.69Å; L198-F254 HydrophobicContact CB-CD2 4.21Å; L198-F254 HydrophobicContact CB-CE1 3.89Å; L198-F254 HydrophobicContact CB-CE2 4.33Å; L198-F254 HydrophobicContact CB-CG 3.86Å; L198-F254 HydrophobicContact CB-CZ 4.2Å; L198-F254 HydrophobicContact CD1-CD1 4.13Å; L198-F254 HydrophobicContact CD1-CE1 3.7Å; L198-F254 HydrophobicContact CD1-CZ 4.25Å; L198-F254 HydrophobicContact CD2-CE1 4.26Å; L198-F254 HydrophobicContact CD2-CE2 4.39Å; L198-F254 HydrophobicContact CD2-CZ 3.98Å; L198-F254 HydrophobicContact CG-CD1 4.43Å; L198-F254 HydrophobicContact CG-CE1 4.16Å; L198-F254 HydrophobicContact CG-CZ 4.37Å; L198-W292 HydrophobicContact CD1-CH2 3.79Å; L198-W292 HydrophobicContact CD1-CZ3 3.91Å |
| 199 | R | 95.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -52.3 | 170.5 | 178.6 | 176.8 | 171.1 | 173.1 | 2.1 | 110.9 | Y161 S195 Y196 S202 I203 N258 Y384 | Y161-R199 PolarHBondContact OH-NE 3.43Å; Y161-R199 PolarHBondContact OH-NH2 3.47Å; S195-R199 WeakPolarHBondContact O-CB 3.34Å; S195-R199 PolarHBondContact O-N 3.04Å; Y196-R199 PolarHBondContact O-N 2.96Å; R199-S202 PolarHBondContact O-N 2.96Å; R199-S202 PolarHBondContact O-OG 3Å; R199-I203 HydrophobicContact CG-CD1 4.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.22Å; R199-I203 PolarHBondContact O-N 3.34Å; R199-I203 VanDerWaalsContact O-N 3.11Å; R199-N258 HydrophobicContact CB-CB 4.43Å; R199-N258 WeakPolarHBondContact CD-OD1 3.27Å; R199-N258 PolarHBondContact NH1-OD1 2.88Å; R199-Y384 PolarHBondContact NH1-OH 2.91Å; R199-Y384 VanDerWaalsContact NH1-OH 3.11Å; R199-Y384 PolarHBondContact NH2-OH 2.97Å |
| 200 | A | 95.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y161 L165 Y196 M197 S202 I203 F204 | Y161-A200 HydrophobicContact CD1-CB 3.98Å; Y161-A200 HydrophobicContact CG-CB 4.41Å; L165-A200 HydrophobicContact CB-CB 4.44Å; L165-A200 HydrophobicContact CD1-CB 4.26Å; Y196-A200 WeakPolarHBondContact O-CB 3.38Å; Y196-A200 PolarHBondContact O-N 2.85Å; M197-A200 PolarHBondContact O-N 2.9Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 3.29Å; A200-I203 PolarHBondContact O-N 3.47Å; A200-F204 VanDerWaalsContact O-CD2 3.28Å; A200-F204 WeakPolarHBondContact O-CD2 3.28Å; A200-F204 PolarHBondContact O-N 3.15Å |
| 201 | V | 95.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.5 | -40 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | L165 M197 L198 I203 F204 V205 | L165-V201 HydrophobicContact CD1-CG2 4.07Å; L165-V201 HydrophobicContact CD2-CG2 4.37Å; M197-V201 WeakPolarHBondContact O-CB 3.44Å; M197-V201 WeakPolarHBondContact O-CG2 3.35Å; M197-V201 PolarHBondContact O-N 3.1Å; L198-V201 PolarHBondContact O-N 3.44Å; V201-I203 VanDerWaalsContact C-N 3.3Å; V201-I203 PolarHBondContact O-N 3.32Å; V201-F204 PolarHBondContact O-N 2.89Å; V201-V205 HydrophobicContact CG1-CG2 4.37Å; V201-V205 WeakPolarHBondContact O-CG2 3.44Å; V201-V205 PolarHBondContact O-N 2.98Å |
| 202 | S | 94 | Very high | 89.3 | Confident | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.5 | -29 | 179.6 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | L198 R199 A200 K206 | L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 3.35Å; L198-S202 PolarHBondContact O-OG 3.24Å; R199-S202 PolarHBondContact O-N 2.96Å; R199-S202 PolarHBondContact O-OG 3Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 3.29Å; S202-K206 WeakPolarHBondContact O-CB 3.5Å; S202-K206 PolarHBondContact O-N 2.66Å |
| 203 | I | 91.7 | Very high | 87.3 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.8 | -54.6 | 173.1 | -71.5 | 166.9 | 0 | 0 | 0 | 109 | Y157 Y161 R199 A200 V201 V205 K206 D207 F251 | Y157-I203 HydrophobicContact CD2-CG2 4.18Å; Y157-I203 HydrophobicContact CE2-CG2 3.9Å; Y161-I203 HydrophobicContact CD1-CD1 4.5Å; Y161-I203 HydrophobicContact CD2-CD1 3.95Å; Y161-I203 HydrophobicContact CE1-CD1 4Å; Y161-I203 HydrophobicContact CE2-CD1 3.39Å; Y161-I203 HydrophobicContact CG-CD1 4.49Å; Y161-I203 VanDerWaalsContact CZ-CD1 3.4Å; R199-I203 HydrophobicContact CG-CD1 4.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.22Å; R199-I203 PolarHBondContact O-N 3.34Å; R199-I203 VanDerWaalsContact O-N 3.11Å; A200-I203 PolarHBondContact O-N 3.47Å; V201-I203 VanDerWaalsContact C-N 3.3Å; V201-I203 PolarHBondContact O-N 3.32Å; I203-V205 VanDerWaalsContact C-N 3.25Å; I203-V205 PolarHBondContact O-N 3.33Å; I203-K206 CarbonylContact O-C 3.52Å; I203-K206 WeakPolarHBondContact O-CA 3.47Å; I203-K206 WeakPolarHBondContact O-CB 3.37Å; I203-K206 PolarHBondContact O-N 3.15Å; I203-D207 VanDerWaalsContact CG2-OD2 3.23Å; I203-D207 WeakPolarHBondContact CG2-OD2 3.49Å; I203-D207 PolarHBondContact O-N 3.09Å; I203-D207 VanDerWaalsContact O-OD2 3.11Å; I203-F251 HydrophobicContact CD1-CE2 4.35Å; I203-F251 HydrophobicContact CG1-CD2 3.94Å; I203-F251 HydrophobicContact CG1-CE2 3.65Å |
| 204 | F | 91.9 | Very high | 85.1 | Confident | 49 Ų | 49 | 41.8 Ų | 41.8 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -36.5 | 177.2 | -58.6 | -44.6 | 0 | 0 | 0 | 113.3 | T158 L165 A200 V201 I208 | T158-F204 HydrophobicContact CG2-CE1 4.23Å; L165-F204 HydrophobicContact CD2-CE2 4.19Å; A200-F204 VanDerWaalsContact O-CD2 3.28Å; A200-F204 WeakPolarHBondContact O-CD2 3.28Å; A200-F204 PolarHBondContact O-N 3.15Å; V201-F204 PolarHBondContact O-N 2.89Å; F204-I208 WeakPolarHBondContact O-CB 3.43Å; F204-I208 WeakPolarHBondContact O-CD1 3.5Å; F204-I208 WeakPolarHBondContact O-CG1 3.3Å; F204-I208 PolarHBondContact O-N 3.22Å |
| 205 | V | 90.1 | Very high | 82.8 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.9 | -36.7 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | V201 I203 V209 V247 | V201-V205 HydrophobicContact CG1-CG2 4.37Å; V201-V205 WeakPolarHBondContact O-CG2 3.44Å; V201-V205 PolarHBondContact O-N 2.98Å; I203-V205 VanDerWaalsContact C-N 3.25Å; I203-V205 PolarHBondContact O-N 3.33Å; V205-V209 WeakPolarHBondContact O-CB 3.44Å; V205-V209 VanDerWaalsContact O-CG2 3.24Å; V205-V209 WeakPolarHBondContact O-CG2 3.35Å; V205-V209 PolarHBondContact O-N 2.97Å; V205-V247 HydrophobicContact CG1-CG1 3.98Å; V205-V247 HydrophobicContact CG1-CG2 3.96Å |
| 206 | K | 88.8 | Confident | 80.3 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 171.4 | -171.7 | -175.3 | 115.5 | 83 | 0 | 110.6 | S202 I203 I208 V209 L210 V247 F251 D316 | S202-K206 WeakPolarHBondContact O-CB 3.5Å; S202-K206 PolarHBondContact O-N 2.66Å; I203-K206 CarbonylContact O-C 3.52Å; I203-K206 WeakPolarHBondContact O-CA 3.47Å; I203-K206 WeakPolarHBondContact O-CB 3.37Å; I203-K206 PolarHBondContact O-N 3.15Å; K206-I208 PolarHBondContact O-N 3.27Å; K206-V209 PolarHBondContact O-N 2.95Å; K206-V209 VanDerWaalsContact O-N 3.15Å; K206-L210 HydrophobicContact CD-CD2 4.34Å; K206-L210 HydrophobicContact CG-CD1 4.1Å; K206-L210 HydrophobicContact CG-CD2 3.87Å; K206-L210 WeakPolarHBondContact O-CB 3.38Å; K206-L210 WeakPolarHBondContact O-CD1 3.23Å; K206-L210 PolarHBondContact O-N 3.29Å; K206-V247 HydrophobicContact CB-CG1 4.19Å; K206-F251 HydrophobicContact CD-CD1 3.91Å; K206-F251 HydrophobicContact CD-CD2 4.49Å; K206-F251 HydrophobicContact CD-CE1 4.24Å; K206-F251 HydrophobicContact CD-CG 4.05Å; K206-D316 IonicContact NZ-OD1 2.73Å; K206-D316 PolarHBondContact NZ-OD1 3.47Å; K206-D316 IonicContact NZ-OD2 4Å; K206-D316 PolarHBondContact NZ-OD2 2.89Å |
| 207 | D | 86.8 | Confident | 78.1 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | -173.8 | -55.3 | -29.7 | 0 | 0 | 0 | 111.8 | Y157 I203 V209 Y211 | Y157-D207 PolarHBondContact OH-OD1 3.35Å; I203-D207 VanDerWaalsContact CG2-OD2 3.23Å; I203-D207 WeakPolarHBondContact CG2-OD2 3.49Å; I203-D207 PolarHBondContact O-N 3.09Å; I203-D207 VanDerWaalsContact O-OD2 3.11Å; D207-V209 VanDerWaalsContact C-N 3.3Å; D207-V209 PolarHBondContact O-N 3.35Å; D207-Y211 CarbonylContact O-C 3.59Å; D207-Y211 WeakPolarHBondContact O-CA 3.41Å; D207-Y211 WeakPolarHBondContact O-CB 3.42Å; D207-Y211 PolarHBondContact O-N 2.94Å |
| 208 | I | 84.3 | Confident | 75.8 | Confident | 106 Ų | 106 | 55.6 Ų | 55.6 | 54% | 0.544 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 174.4 | -70.8 | 165.9 | 0 | 0 | 0 | 112.2 | F204 K206 | F204-I208 WeakPolarHBondContact O-CB 3.43Å; F204-I208 WeakPolarHBondContact O-CD1 3.5Å; F204-I208 WeakPolarHBondContact O-CG1 3.3Å; F204-I208 PolarHBondContact O-N 3.22Å; K206-I208 PolarHBondContact O-N 3.27Å |
| 209 | V | 82.8 | Confident | 73.3 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 33% | 0.327 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -86.4 | -30.8 | -174.9 | 172.3 | 0 | 0 | 0 | 0 | 112.7 | V205 K206 D207 T243 C244 V247 | V205-V209 WeakPolarHBondContact O-CB 3.44Å; V205-V209 VanDerWaalsContact O-CG2 3.24Å; V205-V209 WeakPolarHBondContact O-CG2 3.35Å; V205-V209 PolarHBondContact O-N 2.97Å; K206-V209 PolarHBondContact O-N 2.95Å; K206-V209 VanDerWaalsContact O-N 3.15Å; D207-V209 VanDerWaalsContact C-N 3.3Å; D207-V209 PolarHBondContact O-N 3.35Å; V209-T243 HydrophobicContact CG1-CG2 4.41Å; V209-C244 HydrophobicContact CG1-CB 4.4Å; V209-V247 HydrophobicContact CB-CG1 4.43Å; V209-V247 HydrophobicContact CG2-CG2 4.32Å |
| 210 | L | 73.4 | Confident | 70.7 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -92.5 | -35.4 | 178.1 | -84.2 | 59.6 | 0 | 0 | 0 | 113 | K206 P212 D316 | K206-L210 HydrophobicContact CD-CD2 4.34Å; K206-L210 HydrophobicContact CG-CD1 4.1Å; K206-L210 HydrophobicContact CG-CD2 3.87Å; K206-L210 WeakPolarHBondContact O-CB 3.38Å; K206-L210 WeakPolarHBondContact O-CD1 3.23Å; K206-L210 PolarHBondContact O-N 3.29Å; L210-P212 WeakPolarHBondContact O-CD 3.44Å; L210-D316 HydrophobicContact CD2-CB 4.03Å; L210-D316 VanDerWaalsContact CD2-CG 3.46Å; L210-D316 WeakPolarHBondContact CD2-OD2 3.37Å |
| 211 | Y | 71.3 | Confident | 68.1 | Low | 126 Ų | 126 | 78 Ų | 78 | 49% | 0.494 | 40% | 0.403 | S | S | . | . | trans | -126.5 | 58 | -174.3 | -54.4 | -70.4 | 0 | 0 | 0 | 112.4 | D207 G213 S214 | D207-Y211 CarbonylContact O-C 3.59Å; D207-Y211 WeakPolarHBondContact O-CA 3.41Å; D207-Y211 WeakPolarHBondContact O-CB 3.42Å; D207-Y211 PolarHBondContact O-N 2.94Å; Y211-G213 PolarHBondContact O-N 3.01Å; Y211-S214 WeakPolarHBondContact CB-OG 3.34Å; Y211-S214 PolarHBondContact O-N 3.25Å; Y211-S214 PolarHBondContact O-OG 3.34Å | ||
| 212 | P | 62 | Low | 65.5 | Low | 88 Ų | 88 | 79.3 Ų | 79.3 | 57% | 0.571 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.5 | -24 | -178.8 | 23.5 | -34.3 | 0 | 0 | 0 | 113.8 | L210 | L210-P212 WeakPolarHBondContact O-CD 3.44Å |
| 213 | G | 53.6 | Low | 62.6 | Low | 46 Ų | 46 | 83.5 Ų | 83.5 | 47% | 0.474 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y211 A215 L216 E217 | Y211-G213 PolarHBondContact O-N 3.01Å; G213-A215 PolarHBondContact O-N 3.28Å; G213-L216 PolarHBondContact O-N 3.31Å; G213-L216 VanDerWaalsContact O-N 3.15Å; G213-E217 PolarHBondContact O-N 3.18Å; G213-E217 VanDerWaalsContact O-N 3.11Å |
| 214 | S | 49.6 | Very low | 60.4 | Low | 34 Ų | 34 | 89.5 Ų | 89.5 | 24% | 0.238 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -76.2 | -25.9 | -173 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | Y211 L216 N218 | Y211-S214 WeakPolarHBondContact CB-OG 3.34Å; Y211-S214 PolarHBondContact O-N 3.25Å; Y211-S214 PolarHBondContact O-OG 3.34Å; S214-L216 VanDerWaalsContact C-N 3.35Å; S214-N218 PolarHBondContact O-ND2 3.31Å |
| 215 | A | 48.2 | Very low | 57.9 | Low | 40 Ų | 40 | 95 Ų | 95 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -36.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G213 | G213-A215 PolarHBondContact O-N 3.28Å |
| 216 | L | 44.1 | Very low | 55.5 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -77.8 | -38.4 | -175 | -165.3 | 69.2 | 0 | 0 | 0 | 113.3 | G213 S214 N218 M219 E220 | G213-L216 PolarHBondContact O-N 3.31Å; G213-L216 VanDerWaalsContact O-N 3.15Å; S214-L216 VanDerWaalsContact C-N 3.35Å; L216-N218 PolarHBondContact O-N 2.94Å; L216-M219 PolarHBondContact O-N 3.42Å; L216-E220 HydrophobicContact CD1-CB 4.46Å; L216-E220 HydrophobicContact CG-CB 4.38Å; L216-E220 PolarHBondContact O-N 3.23Å |
| 217 | E | 49.5 | Very low | 53.1 | Low | 146 Ų | 146 | 104 Ų | 104 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -22.7 | 176.2 | -76.7 | -174 | 128.9 | 0 | 0 | 113.6 | G213 | G213-E217 PolarHBondContact O-N 3.18Å; G213-E217 VanDerWaalsContact O-N 3.11Å |
| 218 | N | 46.8 | Very low | 50.7 | Low | 115 Ų | 115 | 114 Ų | 114 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -5.2 | 179.6 | -73.2 | -81.9 | 0 | 0 | 0 | 114.3 | S214 L216 | S214-N218 PolarHBondContact O-ND2 3.31Å; L216-N218 PolarHBondContact O-N 2.94Å |
| 219 | M | 45 | Very low | 48.1 | Very low | 170 Ų | 170 | 113.3 Ų | 113.3 | 84% | 0.837 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -31.3 | -179.9 | -168.4 | 164.2 | -70.5 | 0 | 0 | 113.6 | L216 | L216-M219 PolarHBondContact O-N 3.42Š|
| 220 | E | 39.7 | Very low | 46.2 | Very low | 111 Ų | 111 | 116.1 Ų | 116.1 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | trans | -105.4 | 96.6 | -173 | -169.2 | 133 | -121.2 | 0 | 0 | 113.1 | L216 | L216-E220 HydrophobicContact CD1-CB 4.46Å; L216-E220 HydrophobicContact CG-CB 4.38Å; L216-E220 PolarHBondContact O-N 3.23Å | ||
| 221 | R | 42.1 | Very low | 44.3 | Very low | 250 Ų | 250 | 119.8 Ų | 119.8 | 94% | 0.943 | 62% | 0.619 | S | S | * | * | trans | -107.3 | 34.2 | 166.7 | -150.6 | -177 | -171.3 | 95.2 | 2.1 | 111.6 | ||||
| 222 | V | 38.8 | Very low | 42.5 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 58% | 0.576 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -130.1 | 133.2 | -166.8 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 223 | T | 34.3 | Very low | 41.3 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | trans | 39.7 | 104.7 | 167.9 | 50.3 | 0 | 0 | 0 | 0 | 119.2 | E225 | T223-E225 PolarHBondContact O-N 3.39Š| ||
| 224 | V | 45.1 | Very low | 40.6 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 21 | 173.5 | -174 | 0 | 0 | 0 | 0 | 113.2 | ||
| 225 | E | 40.1 | Very low | 40.1 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -31.7 | -170.8 | -63.2 | -164.8 | 120.6 | 0 | 0 | 114.2 | T223 F227 | T223-E225 PolarHBondContact O-N 3.39Å; E225-F227 VanDerWaalsContact C-N 3.26Å; E225-F227 PolarHBondContact O-N 3.22Å |
| 226 | D | 39.4 | Very low | 40.2 | Very low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -72.1 | -20 | 176.8 | -109.3 | -26.9 | 0 | 0 | 0 | 113.1 | R228 S229 | D226-R228 PolarHBondContact O-N 2.93Å; D226-S229 WeakPolarHBondContact O-CB 3.45Å; D226-S229 PolarHBondContact O-N 3.26Å; D226-S229 PolarHBondContact O-OG 2.95Å |
| 227 | F | 38.7 | Very low | 40.8 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -61.3 | -14.4 | 179.5 | -113.6 | -85.2 | 0 | 0 | 0 | 114.4 | E225 S229 | E225-F227 VanDerWaalsContact C-N 3.26Å; E225-F227 PolarHBondContact O-N 3.22Å; F227-S229 VanDerWaalsContact C-N 3.28Å |
| 228 | R | 35.5 | Very low | 41.5 | Very low | 218 Ų | 218 | 129.7 Ų | 129.7 | 82% | 0.823 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -76.8 | -11 | 173.4 | -175.1 | 166.1 | -78.4 | 149.3 | -2.9 | 113.4 | D226 T231 | D226-R228 PolarHBondContact O-N 2.93Å; R228-T231 PolarHBondContact O-OG1 2.89Å |
| 229 | S | 30.1 | Very low | 42.7 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -78.4 | -21.9 | 173.2 | 66 | 0 | 0 | 0 | 0 | 113.5 | D226 F227 | D226-S229 WeakPolarHBondContact O-CB 3.45Å; D226-S229 PolarHBondContact O-N 3.26Å; D226-S229 PolarHBondContact O-OG 2.95Å; F227-S229 VanDerWaalsContact C-N 3.28Å |
| 230 | I | 42.2 | Very low | 44.1 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 58% | 0.579 | 67% | 0.667 | S | S | * | * | trans | -103.6 | 38.3 | -175.4 | -35 | -179 | 0 | 0 | 0 | 111.2 | ||||
| 231 | T | 35 | Very low | 45.9 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 71% | 0.712 | 66% | 0.657 | S | S | * | * | trans | -97.2 | -6.5 | 176.4 | -38.5 | 0 | 0 | 0 | 0 | 113.2 | R228 | R228-T231 PolarHBondContact O-OG1 2.89Š| ||
| 232 | E | 31.7 | Very low | 47.9 | Very low | 174 Ų | 174 | 116.8 Ų | 116.8 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -91.4 | 114.5 | 151.9 | -71.8 | -167.5 | 136.1 | 0 | 0 | 108.4 | P234 | E232-P234 WeakPolarHBondContact O-CD 3.42Š|
| 233 | A | 37.6 | Very low | 50.1 | Low | 89 Ų | 89 | 115.3 Ų | 115.3 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 120.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 234 | P | 38.3 | Very low | 52.7 | Low | 92 Ų | 92 | 111.7 Ų | 111.7 | 60% | 0.597 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -60 | 130.8 | 179.6 | -23.1 | 33.9 | 0 | 0 | 0 | 109.8 | E232 A236 | E232-P234 WeakPolarHBondContact O-CD 3.42Å; P234-A236 PolarHBondContact O-N 3.36Å; P234-A236 VanDerWaalsContact O-N 3.15Å |
| 235 | P | 40.9 | Very low | 54.7 | Low | 118 Ų | 118 | 106.4 Ų | 106.4 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.5 | 178.2 | 24.2 | -33.2 | 0 | 0 | 0 | 108.9 | S237 | P235-S237 PolarHBondContact O-N 3.42Š|
| 236 | A | 48.6 | Very low | 57.1 | Low | 74 Ų | 74 | 102.9 Ų | 102.9 | 61% | 0.612 | 56% | 0.562 | S | S | * | * | trans | -51.5 | 101.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P234 F241 | P234-A236 PolarHBondContact O-N 3.36Å; P234-A236 VanDerWaalsContact O-N 3.15Å; A236-F241 HydrophobicContact CB-CE2 3.81Å; A236-F241 HydrophobicContact CB-CZ 4.05Å | ||
| 237 | S | 56.7 | Low | 59.6 | Low | 44 Ų | 44 | 97.3 Ų | 97.3 | 31% | 0.308 | 53% | 0.533 | S | S | . | . | trans | -80.9 | 144.3 | -164.4 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | P235 T239 Q240 F241 | P235-S237 PolarHBondContact O-N 3.42Å; S237-T239 PolarHBondContact O-N 3.38Å; S237-Q240 PolarHBondContact O-N 3.03Å; S237-Q240 WeakPolarHBondContact OG-CG 3.37Å; S237-Q240 PolarHBondContact OG-N 3.08Å; S237-Q240 PolarHBondContact OG-OE1 3.36Å; S237-F241 WeakPolarHBondContact O-CD2 3.45Å; S237-F241 PolarHBondContact O-N 3.45Å | ||
| 238 | K | 65.5 | Low | 62.1 | Low | 179 Ų | 179 | 90.4 Ų | 90.4 | 78% | 0.778 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -52 | -32.7 | 175.7 | -63.7 | -174.7 | 178.8 | -175.9 | 0 | 111.8 | F241 I242 | K238-F241 PolarHBondContact O-N 3.45Å; K238-I242 WeakPolarHBondContact O-CD1 3.41Å; K238-I242 VanDerWaalsContact O-CG1 3.24Å; K238-I242 WeakPolarHBondContact O-CG1 3.35Å; K238-I242 PolarHBondContact O-N 2.82Å |
| 239 | T | 70.9 | Confident | 64.8 | Low | 96 Ų | 96 | 81.6 Ų | 81.6 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.2 | -41.1 | 174.4 | -43.3 | 0 | 0 | 0 | 0 | 113.4 | S237 T243 | S237-T239 PolarHBondContact O-N 3.38Å; T239-T243 WeakPolarHBondContact O-CB 3.49Å; T239-T243 PolarHBondContact O-N 3.22Å; T239-T243 PolarHBondContact O-OG1 3.37Å |
| 240 | Q | 74.6 | Confident | 67.8 | Low | 105 Ų | 105 | 80.8 Ų | 80.8 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.2 | -46 | 178.8 | -75.6 | 160.5 | -65.5 | 0 | 0 | 111.3 | S237 I242 T243 C244 | S237-Q240 PolarHBondContact O-N 3.03Å; S237-Q240 WeakPolarHBondContact OG-CG 3.37Å; S237-Q240 PolarHBondContact OG-N 3.08Å; S237-Q240 PolarHBondContact OG-OE1 3.36Å; Q240-I242 PolarHBondContact O-N 3.37Å; Q240-T243 PolarHBondContact O-N 3.34Å; Q240-C244 WeakPolarHBondContact O-CB 3.43Å; Q240-C244 PolarHBondContact O-N 2.83Å |
| 241 | F | 78.1 | Confident | 70.2 | Confident | 70 Ų | 70 | 77 Ų | 77 | 31% | 0.307 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.4 | -66.1 | -73.8 | 0 | 0 | 0 | 112.1 | A236 S237 K238 T243 C244 K245 E313 | A236-F241 HydrophobicContact CB-CE2 3.81Å; A236-F241 HydrophobicContact CB-CZ 4.05Å; S237-F241 WeakPolarHBondContact O-CD2 3.45Å; S237-F241 PolarHBondContact O-N 3.45Å; K238-F241 PolarHBondContact O-N 3.45Å; F241-T243 VanDerWaalsContact C-N 3.34Å; F241-T243 PolarHBondContact O-N 3.03Å; F241-C244 PolarHBondContact O-N 3.02Å; F241-K245 WeakPolarHBondContact O-CG 3.24Å; F241-K245 PolarHBondContact O-N 3.22Å; F241-E313 HydrophobicContact CE1-CB 4.44Å |
| 242 | I | 84.2 | Confident | 72.9 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 175.4 | -67.8 | 164.4 | 0 | 0 | 0 | 110.9 | K238 Q240 C244 K245 V246 | K238-I242 WeakPolarHBondContact O-CD1 3.41Å; K238-I242 VanDerWaalsContact O-CG1 3.24Å; K238-I242 WeakPolarHBondContact O-CG1 3.35Å; K238-I242 PolarHBondContact O-N 2.82Å; Q240-I242 PolarHBondContact O-N 3.37Å; I242-C244 PolarHBondContact O-N 3.47Å; I242-K245 PolarHBondContact O-N 2.88Å; I242-V246 WeakPolarHBondContact O-CG2 3.33Å; I242-V246 PolarHBondContact O-N 3.44Å |
| 243 | T | 85.1 | Confident | 76 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | V209 T239 Q240 F241 V246 V247 | V209-T243 HydrophobicContact CG1-CG2 4.41Å; T239-T243 WeakPolarHBondContact O-CB 3.49Å; T239-T243 PolarHBondContact O-N 3.22Å; T239-T243 PolarHBondContact O-OG1 3.37Å; Q240-T243 PolarHBondContact O-N 3.34Å; F241-T243 VanDerWaalsContact C-N 3.34Å; F241-T243 PolarHBondContact O-N 3.03Å; T243-V246 PolarHBondContact O-N 3.1Å; T243-V247 HydrophobicContact CG2-CG2 4.42Å; T243-V247 WeakPolarHBondContact O-CB 3.32Å; T243-V247 VanDerWaalsContact O-CG2 3.29Å; T243-V247 WeakPolarHBondContact O-CG2 3.38Å; T243-V247 PolarHBondContact O-N 2.98Å |
| 244 | C | 88 | Confident | 78.8 | Confident | 17 Ų | 17 | 64 Ų | 64 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 178.7 | -168.3 | 0 | 0 | 0 | 0 | 112 | V209 Q240 F241 I242 V246 V247 V248 C314 | V209-C244 HydrophobicContact CG1-CB 4.4Å; Q240-C244 WeakPolarHBondContact O-CB 3.43Å; Q240-C244 PolarHBondContact O-N 2.83Å; F241-C244 PolarHBondContact O-N 3.02Å; I242-C244 PolarHBondContact O-N 3.47Å; C244-V246 PolarHBondContact O-N 3.25Å; C244-V247 PolarHBondContact O-N 3.25Å; C244-V248 WeakPolarHBondContact O-CG2 3.34Å; C244-V248 PolarHBondContact O-N 3.2Å; C244-C314 HydrophobicContact CB-CB 3.76Å; C244-C314 WeakPolarHBondContact CB-SG 3.21Å; C244-C314 WeakPolarHBondContact SG-CB 3.41Å; C244-C314 CovalentContact SG-SG 2.03Å; C244-C314 PolarHBondContact SG-SG 3.47Å |
| 245 | K | 88.4 | Confident | 81.4 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 12% | 0.122 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 174.4 | -70.1 | 177.3 | -176.9 | -173.3 | 0 | 112.4 | F241 I242 T249 D311 E313 W315 | F241-K245 WeakPolarHBondContact O-CG 3.24Å; F241-K245 PolarHBondContact O-N 3.22Å; I242-K245 PolarHBondContact O-N 2.88Å; K245-T249 WeakPolarHBondContact O-CB 3.49Å; K245-T249 PolarHBondContact O-N 2.89Å; K245-T249 VanDerWaalsContact O-N 3.09Å; K245-T249 PolarHBondContact O-OG1 3.42Å; K245-D311 PolarHBondContact NZ-O 3.36Å; K245-D311 IonicContact NZ-OD1 2.9Å; K245-D311 PolarHBondContact NZ-OD1 2.7Å; K245-D311 IonicContact NZ-OD2 3.28Å; K245-D311 PolarHBondContact NZ-OD2 3.32Å; K245-E313 WeakPolarHBondContact CE-O 3.23Å; K245-W315 HydrophobicContact CB-CD2 4.05Å; K245-W315 HydrophobicContact CB-CE3 4.12Å; K245-W315 HydrophobicContact CB-CZ3 4.43Å; K245-W315 HydrophobicContact CD-CD2 4.26Å; K245-W315 HydrophobicContact CD-CZ2 4Å; K245-W315 HydrophobicContact CG-CD2 3.84Å; K245-W315 HydrophobicContact CG-CE3 4.42Å; K245-W315 HydrophobicContact CG-CG 3.95Å; K245-W315 HydrophobicContact CG-CZ2 4.43Å |
| 246 | V | 90.4 | Very high | 83.9 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 177.2 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | I242 T243 C244 T249 L250 | I242-V246 WeakPolarHBondContact O-CG2 3.33Å; I242-V246 PolarHBondContact O-N 3.44Å; T243-V246 PolarHBondContact O-N 3.1Å; C244-V246 PolarHBondContact O-N 3.25Å; V246-T249 PolarHBondContact O-N 2.95Å; V246-L250 WeakPolarHBondContact O-CB 3.49Å; V246-L250 PolarHBondContact O-N 3.35Å |
| 247 | V | 91.3 | Very high | 86.2 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.085 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -44.2 | -178.8 | 166.5 | 0 | 0 | 0 | 0 | 112.1 | V205 K206 V209 T243 C244 T249 L250 F251 | V205-V247 HydrophobicContact CG1-CG1 3.98Å; V205-V247 HydrophobicContact CG1-CG2 3.96Å; K206-V247 HydrophobicContact CB-CG1 4.19Å; V209-V247 HydrophobicContact CB-CG1 4.43Å; V209-V247 HydrophobicContact CG2-CG2 4.32Å; T243-V247 HydrophobicContact CG2-CG2 4.42Å; T243-V247 WeakPolarHBondContact O-CB 3.32Å; T243-V247 VanDerWaalsContact O-CG2 3.29Å; T243-V247 WeakPolarHBondContact O-CG2 3.38Å; T243-V247 PolarHBondContact O-N 2.98Å; C244-V247 PolarHBondContact O-N 3.25Å; V247-T249 VanDerWaalsContact C-N 3.35Å; V247-T249 PolarHBondContact O-N 3.15Å; V247-L250 PolarHBondContact O-N 3.02Å; V247-F251 WeakPolarHBondContact O-CB 3.5Å; V247-F251 PolarHBondContact O-N 3.06Å |
| 248 | V | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | C244 L250 F251 M252 W302 W315 D316 | C244-V248 WeakPolarHBondContact O-CG2 3.34Å; C244-V248 PolarHBondContact O-N 3.2Å; V248-L250 VanDerWaalsContact C-N 3.33Å; V248-L250 PolarHBondContact O-N 2.9Å; V248-F251 PolarHBondContact O-N 2.96Å; V248-M252 WeakPolarHBondContact O-CG 3.38Å; V248-M252 PolarHBondContact O-N 2.8Å; V248-W302 HydrophobicContact CG1-CH2 4.46Å; V248-W315 HydrophobicContact CG1-CB 4.43Å; V248-D316 HydrophobicContact CG2-CB 4.14Å |
| 249 | T | 91.9 | Very high | 89.3 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 112 | K245 V246 V247 M252 Y253 V299 A303 W315 | K245-T249 WeakPolarHBondContact O-CB 3.49Å; K245-T249 PolarHBondContact O-N 2.89Å; K245-T249 VanDerWaalsContact O-N 3.09Å; K245-T249 PolarHBondContact O-OG1 3.42Å; V246-T249 PolarHBondContact O-N 2.95Å; V247-T249 VanDerWaalsContact C-N 3.35Å; V247-T249 PolarHBondContact O-N 3.15Å; T249-M252 PolarHBondContact O-N 3.48Å; T249-Y253 WeakPolarHBondContact O-CB 3.27Å; T249-Y253 PolarHBondContact O-N 3.43Å; T249-V299 HydrophobicContact CG2-CG1 3.78Å; T249-A303 HydrophobicContact CG2-CB 4.17Å; T249-W315 VanDerWaalsContact OG1-CZ3 3.32Å; T249-W315 WeakPolarHBondContact OG1-CZ3 3.32Å |
| 250 | L | 93.7 | Very high | 90.5 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67 | -41 | 177.9 | -172.2 | 65.8 | 0 | 0 | 0 | 112.1 | V246 V247 V248 Y253 F254 | V246-L250 WeakPolarHBondContact O-CB 3.49Å; V246-L250 PolarHBondContact O-N 3.35Å; V247-L250 PolarHBondContact O-N 3.02Å; V248-L250 VanDerWaalsContact C-N 3.33Å; V248-L250 PolarHBondContact O-N 2.9Å; L250-Y253 PolarHBondContact O-N 2.76Å; L250-F254 HydrophobicContact CD1-CD2 4.02Å; L250-F254 HydrophobicContact CD1-CE2 3.37Å; L250-F254 HydrophobicContact CD1-CZ 3.81Å; L250-F254 HydrophobicContact CD2-CE2 4.12Å; L250-F254 HydrophobicContact CG-CD2 3.9Å; L250-F254 HydrophobicContact CG-CE2 3.53Å; L250-F254 HydrophobicContact CG-CZ 4.45Å; L250-F254 VanDerWaalsContact O-CD2 3.28Å; L250-F254 WeakPolarHBondContact O-CD2 3.16Å; L250-F254 PolarHBondContact O-N 3.36Å |
| 251 | F | 93.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 171.9 | 162.4 | -105.3 | 0 | 0 | 0 | 111.5 | I203 K206 V247 V248 Y253 F254 L255 | I203-F251 HydrophobicContact CD1-CE2 4.35Å; I203-F251 HydrophobicContact CG1-CD2 3.94Å; I203-F251 HydrophobicContact CG1-CE2 3.65Å; K206-F251 HydrophobicContact CD-CD1 3.91Å; K206-F251 HydrophobicContact CD-CD2 4.49Å; K206-F251 HydrophobicContact CD-CE1 4.24Å; K206-F251 HydrophobicContact CD-CG 4.05Å; V247-F251 WeakPolarHBondContact O-CB 3.5Å; V247-F251 PolarHBondContact O-N 3.06Å; V248-F251 PolarHBondContact O-N 2.96Å; F251-Y253 VanDerWaalsContact C-N 3.31Å; F251-Y253 PolarHBondContact O-N 2.72Å; F251-F254 PolarHBondContact O-N 2.92Å; F251-L255 HydrophobicContact CE1-CD2 4.33Å; F251-L255 HydrophobicContact CZ-CD2 4.03Å; F251-L255 VanDerWaalsContact O-CB 3.27Å; F251-L255 WeakPolarHBondContact O-CB 3.37Å; F251-L255 PolarHBondContact O-N 2.72Å |
| 252 | M | 92.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 11% | 0.108 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 177.5 | -69.2 | -61.6 | -174.6 | 0 | 0 | 112.1 | V248 T249 L255 A256 W302 Y326 | V248-M252 WeakPolarHBondContact O-CG 3.38Å; V248-M252 PolarHBondContact O-N 2.8Å; T249-M252 PolarHBondContact O-N 3.48Å; M252-L255 HydrophobicContact SD-CD2 4.48Å; M252-A256 WeakPolarHBondContact O-CB 3.47Å; M252-A256 PolarHBondContact O-N 3.09Å; M252-W302 HydrophobicContact CG-CH2 4.45Å; M252-Y326 HydrophobicContact CE-CE1 4.25Å; M252-Y326 HydrophobicContact CE-CE2 4.41Å; M252-Y326 HydrophobicContact SD-CD2 4.41Å; M252-Y326 HydrophobicContact SD-CE2 3.93Å |
| 253 | Y | 95.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 27 Ų | 27 | 22% | 0.22 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.4 | 171.6 | -115.6 | 0 | 0 | 0 | 112.9 | T249 L250 F251 A256 T257 P295 A296 | T249-Y253 WeakPolarHBondContact O-CB 3.27Å; T249-Y253 PolarHBondContact O-N 3.43Å; L250-Y253 PolarHBondContact O-N 2.76Å; F251-Y253 VanDerWaalsContact C-N 3.31Å; F251-Y253 PolarHBondContact O-N 2.72Å; Y253-A256 PolarHBondContact O-N 2.94Å; Y253-T257 WeakPolarHBondContact CE2-OG1 3.43Å; Y253-T257 WeakPolarHBondContact O-CB 3.27Å; Y253-T257 PolarHBondContact O-N 3.26Å; Y253-T257 PolarHBondContact O-OG1 2.88Å; Y253-P295 HydrophobicContact CD2-CB 4.19Å; Y253-P295 HydrophobicContact CE2-CB 4.11Å; Y253-A296 HydrophobicContact CD2-CB 4.39Å; Y253-A296 HydrophobicContact CE2-CB 3.76Å |
| 254 | F | 96.6 | Very high | 93 | Very high | 28 Ų | 28 | 24 Ų | 24 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.7 | -30.9 | -179.9 | -67.6 | -47.8 | 0 | 0 | 0 | 113.2 | L198 L250 F251 N258 | L198-F254 HydrophobicContact CB-CB 4.42Å; L198-F254 HydrophobicContact CB-CD1 3.69Å; L198-F254 HydrophobicContact CB-CD2 4.21Å; L198-F254 HydrophobicContact CB-CE1 3.89Å; L198-F254 HydrophobicContact CB-CE2 4.33Å; L198-F254 HydrophobicContact CB-CG 3.86Å; L198-F254 HydrophobicContact CB-CZ 4.2Å; L198-F254 HydrophobicContact CD1-CD1 4.13Å; L198-F254 HydrophobicContact CD1-CE1 3.7Å; L198-F254 HydrophobicContact CD1-CZ 4.25Å; L198-F254 HydrophobicContact CD2-CE1 4.26Å; L198-F254 HydrophobicContact CD2-CE2 4.39Å; L198-F254 HydrophobicContact CD2-CZ 3.98Å; L198-F254 HydrophobicContact CG-CD1 4.43Å; L198-F254 HydrophobicContact CG-CE1 4.16Å; L198-F254 HydrophobicContact CG-CZ 4.37Å; L250-F254 HydrophobicContact CD1-CD2 4.02Å; L250-F254 HydrophobicContact CD1-CE2 3.37Å; L250-F254 HydrophobicContact CD1-CZ 3.81Å; L250-F254 HydrophobicContact CD2-CE2 4.12Å; L250-F254 HydrophobicContact CG-CD2 3.9Å; L250-F254 HydrophobicContact CG-CE2 3.53Å; L250-F254 HydrophobicContact CG-CZ 4.45Å; L250-F254 VanDerWaalsContact O-CD2 3.28Å; L250-F254 WeakPolarHBondContact O-CD2 3.16Å; L250-F254 PolarHBondContact O-N 3.36Å; F251-F254 PolarHBondContact O-N 2.92Å; F254-N258 WeakPolarHBondContact O-CB 3.46Å; F254-N258 PolarHBondContact O-N 3.45Å |
| 255 | L | 92.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 23.2 Ų | 23.2 | 14% | 0.141 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -54.3 | 169.9 | -179.5 | 64.4 | 0 | 0 | 0 | 111 | F251 M252 T257 N258 Y259 | F251-L255 HydrophobicContact CE1-CD2 4.33Å; F251-L255 HydrophobicContact CZ-CD2 4.03Å; F251-L255 VanDerWaalsContact O-CB 3.27Å; F251-L255 WeakPolarHBondContact O-CB 3.37Å; F251-L255 PolarHBondContact O-N 2.72Å; M252-L255 HydrophobicContact SD-CD2 4.48Å; L255-T257 PolarHBondContact O-N 2.93Å; L255-N258 PolarHBondContact O-N 3.32Å; L255-Y259 HydrophobicContact CD1-CD2 4.48Å; L255-Y259 HydrophobicContact CD1-CE2 3.71Å; L255-Y259 HydrophobicContact CG-CD2 4.45Å; L255-Y259 HydrophobicContact CG-CE2 3.94Å; L255-Y259 WeakPolarHBondContact O-CD2 3.38Å; L255-Y259 PolarHBondContact O-N 3.41Å |
| 256 | A | 93.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M252 Y253 N258 Y259 Y260 P295 I330 | M252-A256 WeakPolarHBondContact O-CB 3.47Å; M252-A256 PolarHBondContact O-N 3.09Å; Y253-A256 PolarHBondContact O-N 2.94Å; A256-N258 VanDerWaalsContact C-N 3.27Å; A256-N258 PolarHBondContact O-N 3.3Å; A256-Y259 PolarHBondContact O-N 3.28Å; A256-Y259 VanDerWaalsContact O-N 3.15Å; A256-Y260 WeakPolarHBondContact O-CD2 3.41Å; A256-Y260 PolarHBondContact O-N 3.43Å; A256-P295 HydrophobicContact CB-CB 4.09Å; A256-I330 HydrophobicContact CB-CD1 3.97Å; A256-I330 HydrophobicContact CB-CG1 4.32Å |
| 257 | T | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.9 | -40.7 | 176.3 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | Y253 L255 Y260 W261 W292 | Y253-T257 WeakPolarHBondContact CE2-OG1 3.43Å; Y253-T257 WeakPolarHBondContact O-CB 3.27Å; Y253-T257 PolarHBondContact O-N 3.26Å; Y253-T257 PolarHBondContact O-OG1 2.88Å; L255-T257 PolarHBondContact O-N 2.93Å; T257-Y260 PolarHBondContact O-N 3.48Å; T257-W261 PolarHBondContact O-N 3.25Å; T257-W292 HydrophobicContact CG2-CD2 4.1Å; T257-W292 HydrophobicContact CG2-CE3 3.45Å; T257-W292 VanDerWaalsContact CG2-CE3 3.45Å; T257-W292 HydrophobicContact CG2-CH2 4.1Å; T257-W292 HydrophobicContact CG2-CZ3 3.47Å; T257-W292 VanDerWaalsContact CG2-CZ3 3.47Å |
| 258 | N | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.2 | -178 | -125.6 | 0 | 0 | 0 | 112.2 | S195 Y196 R199 F254 L255 A256 W261 I262 | S195-N258 PolarHBondContact OG-ND2 3.47Å; Y196-N258 WeakPolarHBondContact CD1-ND2 3.16Å; Y196-N258 WeakPolarHBondContact CE1-ND2 3.22Å; Y196-N258 WeakPolarHBondContact CE1-OD1 3.45Å; R199-N258 HydrophobicContact CB-CB 4.43Å; R199-N258 WeakPolarHBondContact CD-OD1 3.27Å; R199-N258 PolarHBondContact NH1-OD1 2.88Å; F254-N258 WeakPolarHBondContact O-CB 3.46Å; F254-N258 PolarHBondContact O-N 3.45Å; L255-N258 PolarHBondContact O-N 3.32Å; A256-N258 VanDerWaalsContact C-N 3.27Å; A256-N258 PolarHBondContact O-N 3.3Å; N258-W261 PolarHBondContact O-N 3.33Å; N258-I262 VanDerWaalsContact O-CG1 3.3Å; N258-I262 WeakPolarHBondContact O-CG1 3.47Å; N258-I262 PolarHBondContact O-N 3.26Å; N258-I262 VanDerWaalsContact O-N 3.08Å |
| 259 | Y | 93.1 | Very high | 93 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 13% | 0.129 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 172.5 | -69.4 | -70.8 | 0 | 0 | 0 | 112.7 | L255 A256 W261 I262 L263 I330 V334 Y384 | L255-Y259 HydrophobicContact CD1-CD2 4.48Å; L255-Y259 HydrophobicContact CD1-CE2 3.71Å; L255-Y259 HydrophobicContact CG-CD2 4.45Å; L255-Y259 HydrophobicContact CG-CE2 3.94Å; L255-Y259 WeakPolarHBondContact O-CD2 3.38Å; L255-Y259 PolarHBondContact O-N 3.41Å; A256-Y259 PolarHBondContact O-N 3.28Å; A256-Y259 VanDerWaalsContact O-N 3.15Å; Y259-W261 VanDerWaalsContact C-N 3.34Å; Y259-W261 PolarHBondContact O-N 2.87Å; Y259-I262 PolarHBondContact O-N 3.37Å; Y259-L263 PolarHBondContact O-N 2.95Å; Y259-I330 HydrophobicContact CD1-CG2 4.4Å; Y259-I330 HydrophobicContact CD2-CG2 3.53Å; Y259-I330 HydrophobicContact CE2-CG2 3.87Å; Y259-I330 HydrophobicContact CG-CG2 3.83Å; Y259-V334 HydrophobicContact CD1-CG2 3.82Å; Y259-V334 HydrophobicContact CE1-CG2 4.24Å; Y259-Y384 HydrophobicContact CD1-CE2 4.45Å; Y259-Y384 HydrophobicContact CE1-CD1 4.05Å; Y259-Y384 AromaticContact CE1-CD2 3.82Å; Y259-Y384 HydrophobicContact CE1-CD2 3.82Å; Y259-Y384 AromaticContact CE1-CE1 3.79Å; Y259-Y384 HydrophobicContact CE1-CE1 3.79Å; Y259-Y384 AromaticContact CE1-CE2 3.63Å; Y259-Y384 HydrophobicContact CE1-CE2 3.63Å; Y259-Y384 HydrophobicContact CE1-CG 4.07Å; Y259-Y384 AromaticContact CE1-CZ 3.61Å; Y259-Y384 AromaticContact CZ-CE1 3.85Å; Y259-Y384 AromaticContact CZ-CZ 3.98Å; Y259-Y384 WeakPolarHBondContact OH-CE1 3.42Å |
| 260 | Y | 95.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 23.8 Ų | 23.8 | 9% | 0.086 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.1 | -32.8 | 177.7 | -86.6 | -103 | 0 | 0 | 0 | 112.5 | A256 T257 L263 V264 I290 V294 P295 I298 A333 | A256-Y260 WeakPolarHBondContact O-CD2 3.41Å; A256-Y260 PolarHBondContact O-N 3.43Å; T257-Y260 PolarHBondContact O-N 3.48Å; Y260-L263 PolarHBondContact O-N 3.38Å; Y260-V264 WeakPolarHBondContact O-CB 3.45Å; Y260-V264 VanDerWaalsContact O-CG2 3.3Å; Y260-V264 WeakPolarHBondContact O-CG2 3.49Å; Y260-V264 PolarHBondContact O-N 3.47Å; Y260-I290 HydrophobicContact CD1-CG2 4.29Å; Y260-V294 HydrophobicContact CD1-CB 4.22Å; Y260-V294 HydrophobicContact CD1-CG1 4.25Å; Y260-V294 HydrophobicContact CE1-CB 3.94Å; Y260-V294 HydrophobicContact CE1-CG1 3.48Å; Y260-V294 VanDerWaalsContact CE1-CG1 3.48Å; Y260-P295 HydrophobicContact CD1-CG 4.26Å; Y260-P295 HydrophobicContact CD2-CG 3.82Å; Y260-P295 HydrophobicContact CG-CG 3.65Å; Y260-I298 HydrophobicContact CE2-CD1 4.23Å; Y260-I298 VanDerWaalsContact OH-CD1 3.3Å; Y260-I298 WeakPolarHBondContact OH-CD1 3.29Å; Y260-A333 HydrophobicContact CD2-CB 4.48Å; Y260-A333 HydrophobicContact CE2-CB 4.08Å |
| 261 | W | 95.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.4 | -34.1 | 171.9 | -88.1 | 98.1 | 0 | 0 | 0 | 113.7 | I188 H191 L192 T257 N258 Y259 V264 E265 G291 W292 | I188-W261 HydrophobicContact CG2-CZ3 4.27Å; H191-W261 HydrophobicContact CB-CD2 3.91Å; H191-W261 HydrophobicContact CB-CE3 3.68Å; H191-W261 HydrophobicContact CB-CH2 3.44Å; H191-W261 VanDerWaalsContact CB-CH2 3.44Å; H191-W261 HydrophobicContact CB-CZ2 3.66Å; H191-W261 HydrophobicContact CB-CZ3 3.44Å; H191-W261 VanDerWaalsContact CB-CZ3 3.44Å; H191-W261 AromaticContact CD2-CH2 3.8Å; H191-W261 AromaticContact CG-CH2 3.65Å; H191-W261 AromaticContact CG-CZ2 3.85Å; L192-W261 HydrophobicContact CD1-CB 3.86Å; T257-W261 PolarHBondContact O-N 3.25Å; N258-W261 PolarHBondContact O-N 3.33Å; Y259-W261 VanDerWaalsContact C-N 3.34Å; Y259-W261 PolarHBondContact O-N 2.87Å; W261-V264 HydrophobicContact CE3-CB 4.18Å; W261-V264 HydrophobicContact CE3-CG1 3.81Å; W261-V264 HydrophobicContact CH2-CG1 4.31Å; W261-V264 HydrophobicContact CZ3-CB 4.42Å; W261-V264 HydrophobicContact CZ3-CG1 3.59Å; W261-V264 PolarHBondContact O-N 2.93Å; W261-E265 PolarHBondContact O-N 2.74Å; W261-G291 VanDerWaalsContact NE1-C 3.33Å; W261-G291 PolarHBondContact NE1-O 3.26Å; W261-W292 AromaticContact CE2-CD1 3.84Å; W261-W292 AromaticContact CE2-CE2 3.91Å; W261-W292 AromaticContact CE2-NE1 3.41Å; W261-W292 AromaticContact CZ2-CD1 3.54Å; W261-W292 AromaticContact CZ2-NE1 3.22Å; W261-W292 AromaticContact NE1-CD1 3.54Å; W261-W292 AromaticContact NE1-CD2 3.69Å; W261-W292 AromaticContact NE1-CE2 3.26Å; W261-W292 VanDerWaalsContact NE1-CE2 3.26Å; W261-W292 AromaticContact NE1-CG 3.82Å; W261-W292 AromaticContact NE1-CZ2 3.71Å; W261-W292 AromaticContact NE1-NE1 3.19Å; W261-W292 VanDerWaalsContact NE1-NE1 3.19Å |
| 262 | I | 92.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 171 | -65 | 162.7 | 0 | 0 | 0 | 110.4 | L192 Y196 N258 Y259 E265 G266 | L192-I262 HydrophobicContact CD1-CG1 3.83Å; Y196-I262 WeakPolarHBondContact OH-CD1 3.36Å; N258-I262 VanDerWaalsContact O-CG1 3.3Å; N258-I262 WeakPolarHBondContact O-CG1 3.47Å; N258-I262 PolarHBondContact O-N 3.26Å; N258-I262 VanDerWaalsContact O-N 3.08Å; Y259-I262 PolarHBondContact O-N 3.37Å; I262-E265 PolarHBondContact O-N 3.11Å; I262-G266 PolarHBondContact O-N 3.48Å |
| 263 | L | 92.5 | Very high | 91.7 | Very high | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.4 | 172.8 | 63 | 0 | 0 | 0 | 112.3 | Y259 Y260 E265 G266 L267 A333 I336 N337 L340 | Y259-L263 PolarHBondContact O-N 2.95Å; Y260-L263 PolarHBondContact O-N 3.38Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.49Å; L263-G266 PolarHBondContact O-N 2.98Å; L263-L267 HydrophobicContact CD1-CD1 4.07Å; L263-L267 HydrophobicContact CD1-CG 4.05Å; L263-L267 HydrophobicContact CG-CD1 3.91Å; L263-L267 HydrophobicContact CG-CG 4.37Å; L263-L267 WeakPolarHBondContact O-CB 3.5Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.1Å; L263-A333 HydrophobicContact CD2-CB 3.83Å; L263-I336 HydrophobicContact CD1-CB 4.26Å; L263-I336 HydrophobicContact CD1-CG2 3.77Å; L263-N337 HydrophobicContact CD1-CB 3.99Å; L263-L340 HydrophobicContact CD1-CD1 3.95Å |
| 264 | V | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 176 | 160.9 | 0 | 0 | 0 | 0 | 111.5 | Y260 W261 Y268 F287 I290 | Y260-V264 WeakPolarHBondContact O-CB 3.45Å; Y260-V264 VanDerWaalsContact O-CG2 3.3Å; Y260-V264 WeakPolarHBondContact O-CG2 3.49Å; Y260-V264 PolarHBondContact O-N 3.47Å; W261-V264 HydrophobicContact CE3-CB 4.18Å; W261-V264 HydrophobicContact CE3-CG1 3.81Å; W261-V264 HydrophobicContact CH2-CG1 4.31Å; W261-V264 HydrophobicContact CZ3-CB 4.42Å; W261-V264 HydrophobicContact CZ3-CG1 3.59Å; W261-V264 PolarHBondContact O-N 2.93Å; V264-Y268 VanDerWaalsContact O-CB 3.28Å; V264-Y268 WeakPolarHBondContact O-CB 3.42Å; V264-Y268 PolarHBondContact O-N 2.96Å; V264-F287 HydrophobicContact CG1-CB 3.74Å; V264-F287 HydrophobicContact CG1-CD1 4Å; V264-F287 HydrophobicContact CG1-CG 4.06Å; V264-I290 HydrophobicContact CG2-CB 4.01Å; V264-I290 HydrophobicContact CG2-CG2 3.69Å |
| 265 | E | 91.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 175.1 | -175 | 165.4 | -105.3 | 0 | 0 | 112.5 | H189 L192 W261 I262 L263 Y268 L269 L379 Y422 | H189-E265 IonicContact CE1-OE1 2.76Å; H189-E265 PolarHBondContact CE1-OE1 2.92Å; H189-E265 VanDerWaalsContact CE1-OE1 3.26Å; H189-E265 IonicContact CG-OE1 2.81Å; H189-E265 IonicContact ND1-OE1 3.07Å; H189-E265 PolarHBondContact ND1-OE1 2.99Å; L192-E265 WeakPolarHBondContact CD2-OE1 3.36Å; L192-E265 WeakPolarHBondContact CD2-OE2 3.41Å; W261-E265 PolarHBondContact O-N 2.74Å; I262-E265 PolarHBondContact O-N 3.11Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.49Å; E265-Y268 PolarHBondContact O-N 3.15Å; E265-L269 WeakPolarHBondContact O-CB 3.5Å; E265-L269 PolarHBondContact O-N 3.41Å; E265-L379 WeakPolarHBondContact OE2-CD2 3Å; E265-Y422 VanDerWaalsContact OE1-CE2 3.25Å; E265-Y422 WeakPolarHBondContact OE1-CE2 3.04Å; E265-Y422 WeakPolarHBondContact OE2-CE2 3.37Å |
| 266 | G | 89.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I262 L263 L269 H270 F380 | I262-G266 PolarHBondContact O-N 3.48Å; L263-G266 PolarHBondContact O-N 2.98Å; G266-L269 PolarHBondContact O-N 2.79Å; G266-H270 VanDerWaalsContact O-CB 3.24Å; G266-H270 WeakPolarHBondContact O-CB 3.47Å; G266-H270 PolarHBondContact O-N 3.38Å; G266-F380 VanDerWaalsContact CA-CE1 3.5Å |
| 267 | L | 90.6 | Very high | 87.2 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 175 | -76.3 | 168.6 | 0 | 0 | 0 | 112.1 | L263 S271 F287 L340 | L263-L267 HydrophobicContact CD1-CD1 4.07Å; L263-L267 HydrophobicContact CD1-CG 4.05Å; L263-L267 HydrophobicContact CG-CD1 3.91Å; L263-L267 HydrophobicContact CG-CG 4.37Å; L263-L267 WeakPolarHBondContact O-CB 3.5Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.1Å; L267-S271 WeakPolarHBondContact O-CB 3.47Å; L267-S271 PolarHBondContact O-N 3.01Å; L267-S271 PolarHBondContact O-OG 3.23Å; L267-F287 HydrophobicContact CB-CE1 4.05Å; L267-L340 HydrophobicContact CB-CD1 4.49Å; L267-L340 HydrophobicContact CD2-CD1 3.57Å; L267-L340 HydrophobicContact CD2-CD2 4.3Å; L267-L340 HydrophobicContact CG-CD1 3.72Å |
| 268 | Y | 89.5 | Confident | 85.6 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 177.4 | 172.7 | -105 | 0 | 0 | 0 | 111.9 | R185 I188 V264 E265 S271 L272 F287 | R185-Y268 HydrophobicContact CB-CE1 4.12Å; R185-Y268 HydrophobicContact CG-CE1 4.2Å; R185-Y268 PolarHBondContact N-OH 3.38Å; I188-Y268 HydrophobicContact CD1-CD1 3.82Å; I188-Y268 HydrophobicContact CD1-CD2 3.36Å; I188-Y268 HydrophobicContact CD1-CE1 4.13Å; I188-Y268 HydrophobicContact CD1-CE2 3.69Å; I188-Y268 HydrophobicContact CD1-CG 3.43Å; I188-Y268 VanDerWaalsContact CD1-CG 3.43Å; V264-Y268 VanDerWaalsContact O-CB 3.28Å; V264-Y268 WeakPolarHBondContact O-CB 3.42Å; V264-Y268 PolarHBondContact O-N 2.96Å; E265-Y268 PolarHBondContact O-N 3.15Å; Y268-S271 WeakPolarHBondContact O-CB 3.48Å; Y268-S271 PolarHBondContact O-N 3.21Å; Y268-L272 HydrophobicContact CE1-CD1 4.38Å; Y268-L272 WeakPolarHBondContact O-CB 3.33Å; Y268-L272 PolarHBondContact O-N 3.25Å; Y268-F287 AromaticContact CD2-CE2 3.99Å; Y268-F287 HydrophobicContact CD2-CE2 3.99Å |
| 269 | L | 87.3 | Confident | 84.4 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | -179.8 | -164.6 | 151.1 | 0 | 0 | 0 | 111.5 | E265 G266 L272 I273 I344 F380 | E265-L269 WeakPolarHBondContact O-CB 3.5Å; E265-L269 PolarHBondContact O-N 3.41Å; G266-L269 PolarHBondContact O-N 2.79Å; L269-L272 PolarHBondContact O-N 2.84Å; L269-I273 HydrophobicContact CD2-CD1 3.68Å; L269-I273 WeakPolarHBondContact O-CG1 3.21Å; L269-I273 PolarHBondContact O-N 3.28Å; L269-I344 HydrophobicContact CD2-CB 4.45Å; L269-I344 HydrophobicContact CD2-CD1 3.83Å; L269-I344 HydrophobicContact CD2-CG1 3.92Å; L269-I344 HydrophobicContact CD2-CG2 3.63Å; L269-F380 HydrophobicContact CD1-CZ 4.4Å |
| 270 | H | 87.4 | Confident | 83.4 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 171.7 | -174.5 | -81 | 0 | 0 | 0 | 111.6 | G266 L272 I273 F274 L340 I344 | G266-H270 VanDerWaalsContact O-CB 3.24Å; G266-H270 WeakPolarHBondContact O-CB 3.47Å; G266-H270 PolarHBondContact O-N 3.38Å; H270-L272 PolarHBondContact O-N 3.31Å; H270-I273 PolarHBondContact O-N 2.91Å; H270-F274 AromaticContact CD2-CD2 3.94Å; H270-F274 AromaticContact CD2-CE2 3.75Å; H270-F274 AromaticContact CE1-CD2 3.44Å; H270-F274 VanDerWaalsContact CE1-CD2 3.44Å; H270-F274 WeakPolarHBondContact CE1-CD2 3.49Å; H270-F274 AromaticContact CE1-CE2 3.69Å; H270-F274 AromaticContact CG-CD2 3.98Å; H270-F274 AromaticContact ND1-CD2 3.68Å; H270-F274 AromaticContact NE2-CD2 3.61Å; H270-F274 AromaticContact NE2-CE2 3.37Å; H270-F274 WeakPolarHBondContact NE2-CE2 3.32Å; H270-F274 WeakPolarHBondContact O-CD2 3.22Å; H270-F274 PolarHBondContact O-N 3.45Å; H270-F274 VanDerWaalsContact O-N 3.15Å; H270-L340 HydrophobicContact CB-CD2 4.03Å; H270-I344 HydrophobicContact CB-CD1 4.19Å; H270-I344 HydrophobicContact CB-CG1 4.25Å |
| 271 | S | 87.9 | Confident | 82.6 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.1 | -47.6 | 177.1 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | L267 Y268 I273 F274 M275 F278 | L267-S271 WeakPolarHBondContact O-CB 3.47Å; L267-S271 PolarHBondContact O-N 3.01Å; L267-S271 PolarHBondContact O-OG 3.23Å; Y268-S271 WeakPolarHBondContact O-CB 3.48Å; Y268-S271 PolarHBondContact O-N 3.21Å; S271-I273 PolarHBondContact O-N 3.13Å; S271-F274 PolarHBondContact O-N 3.43Å; S271-M275 WeakPolarHBondContact O-CB 3.15Å; S271-M275 PolarHBondContact O-N 3.45Å; S271-F278 WeakPolarHBondContact O-CE2 3.24Å |
| 272 | L | 84.7 | Confident | 82 | Confident | 106 Ų | 106 | 72.3 Ų | 72.3 | 56% | 0.555 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.2 | -30.1 | 179.8 | -174.6 | 150.9 | 0 | 0 | 0 | 113.2 | Y268 L269 H270 | Y268-L272 HydrophobicContact CE1-CD1 4.38Å; Y268-L272 WeakPolarHBondContact O-CB 3.33Å; Y268-L272 PolarHBondContact O-N 3.25Å; L269-L272 PolarHBondContact O-N 2.84Å; H270-L272 PolarHBondContact O-N 3.31Å |
| 273 | I | 84.4 | Confident | 81.5 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -78.7 | -41.2 | 178.1 | -70.8 | 173.1 | 0 | 0 | 0 | 112.1 | L269 H270 S271 I344 V347 | L269-I273 HydrophobicContact CD2-CD1 3.68Å; L269-I273 WeakPolarHBondContact O-CG1 3.21Å; L269-I273 PolarHBondContact O-N 3.28Å; H270-I273 PolarHBondContact O-N 2.91Å; S271-I273 PolarHBondContact O-N 3.13Å; I273-I344 HydrophobicContact CD1-CG1 4.42Å; I273-I344 HydrophobicContact CD1-CG2 4.25Å; I273-V347 HydrophobicContact CG2-CB 4.19Å; I273-V347 HydrophobicContact CG2-CG1 3.65Å |
| 274 | F | 81.8 | Confident | 81.2 | Confident | 102 Ų | 102 | 79.2 Ų | 79.2 | 45% | 0.447 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -97.6 | -18.2 | -169.1 | -79.1 | -79.2 | 0 | 0 | 0 | 115.3 | H270 S271 V347 | H270-F274 AromaticContact CD2-CD2 3.94Å; H270-F274 AromaticContact CD2-CE2 3.75Å; H270-F274 AromaticContact CE1-CD2 3.44Å; H270-F274 VanDerWaalsContact CE1-CD2 3.44Å; H270-F274 WeakPolarHBondContact CE1-CD2 3.49Å; H270-F274 AromaticContact CE1-CE2 3.69Å; H270-F274 AromaticContact CG-CD2 3.98Å; H270-F274 AromaticContact ND1-CD2 3.68Å; H270-F274 AromaticContact NE2-CD2 3.61Å; H270-F274 AromaticContact NE2-CE2 3.37Å; H270-F274 WeakPolarHBondContact NE2-CE2 3.32Å; H270-F274 WeakPolarHBondContact O-CD2 3.22Å; H270-F274 PolarHBondContact O-N 3.45Å; H270-F274 VanDerWaalsContact O-N 3.15Å; S271-F274 PolarHBondContact O-N 3.43Å; F274-V347 HydrophobicContact CE1-CG2 4.04Å; F274-V347 HydrophobicContact CE2-CG2 4.08Å; F274-V347 HydrophobicContact CZ-CG2 3.45Å; F274-V347 VanDerWaalsContact CZ-CG2 3.45Å |
| 275 | M | 78.6 | Confident | 81.1 | Confident | 122 Ų | 122 | 87.8 Ų | 87.8 | 60% | 0.601 | 42% | 0.418 | S | S | * | . | trans | -131.3 | 131.2 | -170.4 | -65.6 | -73.7 | 178.4 | 0 | 0 | 110.9 | S271 F278 | S271-M275 WeakPolarHBondContact O-CB 3.15Å; S271-M275 PolarHBondContact O-N 3.45Å; M275-F278 HydrophobicContact CB-CE1 4.11Å; M275-F278 HydrophobicContact CB-CE2 3.56Å; M275-F278 HydrophobicContact CB-CZ 3.27Å; M275-F278 HydrophobicContact CG-CZ 4.02Å; M275-F278 WeakPolarHBondContact O-CE2 3.46Å | ||
| 276 | T | 65.4 | Low | 81.1 | Confident | 122 Ų | 122 | 88.9 Ų | 88.9 | 75% | 0.748 | 43% | 0.429 | S | S | * | . | trans | -105.9 | -7.3 | -164.9 | 48.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 277 | F | 57.3 | Low | 81.2 | Confident | 191 Ų | 191 | 89.9 Ų | 89.9 | 84% | 0.838 | 43% | 0.434 | S | S | * | . | trans | -133.1 | 98 | -174.8 | -60.4 | -71.7 | 0 | 0 | 0 | 111.3 | ||||
| 278 | F | 63.6 | Low | 81.3 | Confident | 75 Ų | 75 | 89.4 Ų | 89.4 | 33% | 0.329 | 43% | 0.433 | S | S | . | . | trans | -119 | 150.9 | -177 | -76 | -57.9 | 0 | 0 | 0 | 114 | S271 M275 Y283 | S271-F278 WeakPolarHBondContact O-CE2 3.24Å; M275-F278 HydrophobicContact CB-CE1 4.11Å; M275-F278 HydrophobicContact CB-CE2 3.56Å; M275-F278 HydrophobicContact CB-CZ 3.27Å; M275-F278 HydrophobicContact CG-CZ 4.02Å; M275-F278 WeakPolarHBondContact O-CE2 3.46Å; F278-Y283 HydrophobicContact CD1-CD1 4.04Å; F278-Y283 AromaticContact CD1-CD2 3.87Å; F278-Y283 HydrophobicContact CD1-CD2 3.87Å; F278-Y283 AromaticContact CD1-CE1 3.76Å; F278-Y283 HydrophobicContact CD1-CE1 3.76Å; F278-Y283 AromaticContact CD1-CE2 3.59Å; F278-Y283 HydrophobicContact CD1-CE2 3.59Å; F278-Y283 HydrophobicContact CD1-CG 4.09Å; F278-Y283 AromaticContact CD1-CZ 3.52Å; F278-Y283 HydrophobicContact CE1-CD1 4.02Å; F278-Y283 AromaticContact CE1-CE1 3.49Å; F278-Y283 HydrophobicContact CE1-CE1 3.49Å; F278-Y283 VanDerWaalsContact CE1-CE1 3.49Å; F278-Y283 HydrophobicContact CE1-CE2 4.13Å; F278-Y283 AromaticContact CE1-CZ 3.55Å | ||
| 279 | S | 69.7 | Low | 81.5 | Confident | 63 Ų | 63 | 91.9 Ų | 91.9 | 44% | 0.441 | 45% | 0.449 | S | S | . | . | trans | -105.2 | 87.2 | 171.2 | -170.7 | 0 | 0 | 0 | 0 | 109 | K281 K282 Y283 | S279-K281 VanDerWaalsContact C-N 3.25Å; S279-K281 PolarHBondContact O-N 3.47Å; S279-K282 PolarHBondContact O-N 3.05Å; S279-Y283 PolarHBondContact O-N 2.83Å | ||
| 280 | D | 72.4 | Confident | 81.9 | Confident | 98 Ų | 98 | 92.4 Ų | 92.4 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -39.9 | -49.2 | -169.8 | -69 | -41.6 | 0 | 0 | 0 | 114.3 | T184 K282 Y283 L284 | T184-D280 HydrophobicContact CG2-CB 4Å; D280-K282 PolarHBondContact O-N 3.39Å; D280-Y283 PolarHBondContact O-N 3.11Å; D280-L284 VanDerWaalsContact O-CB 3.25Å; D280-L284 WeakPolarHBondContact O-CB 3.37Å; D280-L284 PolarHBondContact O-N 3.23Å |
| 281 | K | 78.2 | Confident | 82.2 | Confident | 187 Ų | 187 | 90.5 Ų | 90.5 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.4 | -37.8 | -176.4 | -67.4 | -172.6 | 177.2 | -176.5 | 0 | 113.5 | S279 W285 | S279-K281 VanDerWaalsContact C-N 3.25Å; S279-K281 PolarHBondContact O-N 3.47Å; K281-W285 PolarHBondContact O-N 3.02Å |
| 282 | K | 82.9 | Confident | 82.6 | Confident | 163 Ų | 163 | 91.5 Ų | 91.5 | 71% | 0.709 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -73.2 | -42.8 | 179.8 | -69.5 | -171 | 176.5 | -173.9 | 0 | 111 | S279 D280 G286 | S279-K282 PolarHBondContact O-N 3.05Å; D280-K282 PolarHBondContact O-N 3.39Å; K282-G286 PolarHBondContact O-N 2.8Å; K282-G286 VanDerWaalsContact O-N 3.1Å |
| 283 | Y | 82.8 | Confident | 83.2 | Confident | 113 Ų | 113 | 87.6 Ų | 87.6 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 178.7 | -82.8 | -95.2 | 0 | 0 | 0 | 112 | F278 S279 D280 W285 G286 F287 | F278-Y283 HydrophobicContact CD1-CD1 4.04Å; F278-Y283 AromaticContact CD1-CD2 3.87Å; F278-Y283 HydrophobicContact CD1-CD2 3.87Å; F278-Y283 AromaticContact CD1-CE1 3.76Å; F278-Y283 HydrophobicContact CD1-CE1 3.76Å; F278-Y283 AromaticContact CD1-CE2 3.59Å; F278-Y283 HydrophobicContact CD1-CE2 3.59Å; F278-Y283 HydrophobicContact CD1-CG 4.09Å; F278-Y283 AromaticContact CD1-CZ 3.52Å; F278-Y283 HydrophobicContact CE1-CD1 4.02Å; F278-Y283 AromaticContact CE1-CE1 3.49Å; F278-Y283 HydrophobicContact CE1-CE1 3.49Å; F278-Y283 VanDerWaalsContact CE1-CE1 3.49Å; F278-Y283 HydrophobicContact CE1-CE2 4.13Å; F278-Y283 AromaticContact CE1-CZ 3.55Å; S279-Y283 PolarHBondContact O-N 2.83Å; D280-Y283 PolarHBondContact O-N 3.11Å; Y283-W285 VanDerWaalsContact C-N 3.35Å; Y283-W285 PolarHBondContact O-N 3.16Å; Y283-G286 PolarHBondContact O-N 3.03Å; Y283-F287 HydrophobicContact CD1-CE2 4.26Å; Y283-F287 HydrophobicContact CD1-CZ 4.42Å; Y283-F287 WeakPolarHBondContact O-CD2 3.42Å; Y283-F287 WeakPolarHBondContact O-CG 3.4Å; Y283-F287 PolarHBondContact O-N 3.1Å |
| 284 | L | 86.1 | Confident | 83.6 | Confident | 49 Ų | 49 | 87.1 Ų | 87.1 | 26% | 0.257 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 176.8 | -171.3 | 150.6 | 0 | 0 | 0 | 111.6 | T184 D280 G286 F287 T288 | T184-L284 HydrophobicContact CG2-CD1 4.48Å; D280-L284 VanDerWaalsContact O-CB 3.25Å; D280-L284 WeakPolarHBondContact O-CB 3.37Å; D280-L284 PolarHBondContact O-N 3.23Å; L284-G286 PolarHBondContact O-N 3.23Å; L284-F287 PolarHBondContact O-N 2.82Å; L284-T288 PolarHBondContact O-N 3.2Å; L284-T288 PolarHBondContact O-OG1 3.31Å |
| 285 | W | 90.1 | Very high | 84.3 | Confident | 180 Ų | 180 | 82.2 Ų | 82.2 | 68% | 0.682 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 176.4 | -169.4 | 81.4 | 0 | 0 | 0 | 112.7 | K281 Y283 T288 L289 | K281-W285 PolarHBondContact O-N 3.02Å; Y283-W285 VanDerWaalsContact C-N 3.35Å; Y283-W285 PolarHBondContact O-N 3.16Å; W285-T288 PolarHBondContact O-N 3.2Å; W285-L289 HydrophobicContact CH2-CD2 4.29Å; W285-L289 HydrophobicContact CZ3-CD2 4.11Å; W285-L289 PolarHBondContact O-N 3.07Å |
| 286 | G | 91.6 | Very high | 85.1 | Confident | 25 Ų | 25 | 78.3 Ų | 78.3 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | K282 Y283 L284 L289 I290 | K282-G286 PolarHBondContact O-N 2.8Å; K282-G286 VanDerWaalsContact O-N 3.1Å; Y283-G286 PolarHBondContact O-N 3.03Å; L284-G286 PolarHBondContact O-N 3.23Å; G286-L289 PolarHBondContact O-N 3.42Å; G286-I290 WeakPolarHBondContact O-CG1 3.47Å; G286-I290 PolarHBondContact O-N 2.94Å |
| 287 | F | 92.8 | Very high | 86.5 | Confident | 21 Ų | 21 | 76.7 Ų | 76.7 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 174.3 | -72.3 | -48.4 | 0 | 0 | 0 | 112.3 | I188 V264 L267 Y268 Y283 L284 L289 I290 G291 | I188-F287 HydrophobicContact CD1-CD2 4.5Å; V264-F287 HydrophobicContact CG1-CB 3.74Å; V264-F287 HydrophobicContact CG1-CD1 4Å; V264-F287 HydrophobicContact CG1-CG 4.06Å; L267-F287 HydrophobicContact CB-CE1 4.05Å; Y268-F287 AromaticContact CD2-CE2 3.99Å; Y268-F287 HydrophobicContact CD2-CE2 3.99Å; Y283-F287 HydrophobicContact CD1-CE2 4.26Å; Y283-F287 HydrophobicContact CD1-CZ 4.42Å; Y283-F287 WeakPolarHBondContact O-CD2 3.42Å; Y283-F287 WeakPolarHBondContact O-CG 3.4Å; Y283-F287 PolarHBondContact O-N 3.1Å; L284-F287 PolarHBondContact O-N 2.82Å; F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 3.14Å; F287-I290 PolarHBondContact O-N 3.36Å; F287-G291 PolarHBondContact O-N 3.08Å |
| 288 | T | 92.7 | Very high | 88.1 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 23% | 0.233 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 173 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | L284 W285 G291 W292 | L284-T288 PolarHBondContact O-N 3.2Å; L284-T288 PolarHBondContact O-OG1 3.31Å; W285-T288 PolarHBondContact O-N 3.2Å; T288-G291 PolarHBondContact O-N 2.77Å; T288-W292 PolarHBondContact O-N 3.29Å; T288-W292 VanDerWaalsContact O-N 3.1Å |
| 289 | L | 94.3 | Very high | 89.5 | Confident | 93 Ų | 93 | 65.5 Ų | 65.5 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -66.4 | -40.3 | 176.7 | -175.6 | 65.2 | 0 | 0 | 0 | 112.2 | W285 G286 F287 G293 V294 | W285-L289 HydrophobicContact CH2-CD2 4.29Å; W285-L289 HydrophobicContact CZ3-CD2 4.11Å; W285-L289 PolarHBondContact O-N 3.07Å; G286-L289 PolarHBondContact O-N 3.42Å; F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 3.14Å; L289-G293 WeakPolarHBondContact O-CA 3.3Å; L289-G293 PolarHBondContact O-N 3.04Å; L289-V294 PolarHBondContact O-N 3.26Å |
| 290 | I | 94.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 30% | 0.303 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -65.4 | -45.1 | 173.7 | -66.2 | 163.9 | 0 | 0 | 0 | 110.6 | Y260 V264 G286 F287 P295 | Y260-I290 HydrophobicContact CD1-CG2 4.29Å; V264-I290 HydrophobicContact CG2-CB 4.01Å; V264-I290 HydrophobicContact CG2-CG2 3.69Å; G286-I290 WeakPolarHBondContact O-CG1 3.47Å; G286-I290 PolarHBondContact O-N 2.94Å; F287-I290 PolarHBondContact O-N 3.36Å; I290-P295 WeakPolarHBondContact O-CD 3.25Å |
| 291 | G | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | I | π-helix | trans | -70.2 | -34.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | W261 F287 T288 | W261-G291 VanDerWaalsContact NE1-C 3.33Å; W261-G291 PolarHBondContact NE1-O 3.26Å; F287-G291 PolarHBondContact O-N 3.08Å; T288-G291 PolarHBondContact O-N 2.77Å |
| 292 | W | 96.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -111.1 | -37.7 | 178.7 | -58 | 96.6 | 0 | 0 | 0 | 113.5 | H191 V194 L198 T257 W261 T288 A296 | H191-W292 AromaticContact ND1-NE1 3.68Å; V194-W292 HydrophobicContact CG1-CH2 4.09Å; V194-W292 HydrophobicContact CG1-CZ2 4.4Å; L198-W292 HydrophobicContact CD1-CH2 3.79Å; L198-W292 HydrophobicContact CD1-CZ3 3.91Å; T257-W292 HydrophobicContact CG2-CD2 4.1Å; T257-W292 HydrophobicContact CG2-CE3 3.45Å; T257-W292 VanDerWaalsContact CG2-CE3 3.45Å; T257-W292 HydrophobicContact CG2-CH2 4.1Å; T257-W292 HydrophobicContact CG2-CZ3 3.47Å; T257-W292 VanDerWaalsContact CG2-CZ3 3.47Å; W261-W292 AromaticContact CE2-CD1 3.84Å; W261-W292 AromaticContact CE2-CE2 3.91Å; W261-W292 AromaticContact CE2-NE1 3.41Å; W261-W292 AromaticContact CZ2-CD1 3.54Å; W261-W292 AromaticContact CZ2-NE1 3.22Å; W261-W292 AromaticContact NE1-CD1 3.54Å; W261-W292 AromaticContact NE1-CD2 3.69Å; W261-W292 AromaticContact NE1-CE2 3.26Å; W261-W292 VanDerWaalsContact NE1-CE2 3.26Å; W261-W292 AromaticContact NE1-CG 3.82Å; W261-W292 AromaticContact NE1-CZ2 3.71Å; W261-W292 AromaticContact NE1-NE1 3.19Å; W261-W292 VanDerWaalsContact NE1-NE1 3.19Å; T288-W292 PolarHBondContact O-N 3.29Å; T288-W292 VanDerWaalsContact O-N 3.1Å; W292-A296 PolarHBondContact O-N 3.43Å |
| 293 | G | 95.8 | Very high | 92.2 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -74.8 | -45.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L289 A296 V297 | L289-G293 WeakPolarHBondContact O-CA 3.3Å; L289-G293 PolarHBondContact O-N 3.04Å; G293-A296 WeakPolarHBondContact O-CB 3.16Å; G293-A296 PolarHBondContact O-N 3.21Å; G293-V297 WeakPolarHBondContact O-CG2 3.34Å; G293-V297 PolarHBondContact O-N 3.45Å; G293-V297 VanDerWaalsContact O-N 3.1Å |
| 294 | V | 93.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 48 Ų | 48 | 35% | 0.345 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 112 | Y260 L289 A296 V297 I298 | Y260-V294 HydrophobicContact CD1-CB 4.22Å; Y260-V294 HydrophobicContact CD1-CG1 4.25Å; Y260-V294 HydrophobicContact CE1-CB 3.94Å; Y260-V294 HydrophobicContact CE1-CG1 3.48Å; Y260-V294 VanDerWaalsContact CE1-CG1 3.48Å; L289-V294 PolarHBondContact O-N 3.26Å; V294-A296 VanDerWaalsContact C-N 3.32Å; V294-A296 PolarHBondContact O-N 3.24Å; V294-V297 PolarHBondContact O-N 3.03Å; V294-I298 HydrophobicContact CG1-CD1 3.77Å; V294-I298 WeakPolarHBondContact O-CD1 3.43Å; V294-I298 WeakPolarHBondContact O-CG1 3.4Å; V294-I298 PolarHBondContact O-N 3.47Å; V294-I298 VanDerWaalsContact O-N 3.1Å |
| 295 | P | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.2 | -41.2 | 170 | -27.8 | 34.9 | 0 | 0 | 0 | 114.2 | Y253 A256 Y260 I290 V297 I298 V299 | Y253-P295 HydrophobicContact CD2-CB 4.19Å; Y253-P295 HydrophobicContact CE2-CB 4.11Å; A256-P295 HydrophobicContact CB-CB 4.09Å; Y260-P295 HydrophobicContact CD1-CG 4.26Å; Y260-P295 HydrophobicContact CD2-CG 3.82Å; Y260-P295 HydrophobicContact CG-CG 3.65Å; I290-P295 WeakPolarHBondContact O-CD 3.25Å; P295-V297 PolarHBondContact O-N 2.88Å; P295-I298 PolarHBondContact O-N 3.27Å; P295-V299 WeakPolarHBondContact O-CG2 3.35Å; P295-V299 PolarHBondContact O-N 2.86Å |
| 296 | A | 95.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 33% | 0.331 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y253 W292 G293 V294 A300 | Y253-A296 HydrophobicContact CD2-CB 4.39Å; Y253-A296 HydrophobicContact CE2-CB 3.76Å; W292-A296 PolarHBondContact O-N 3.43Å; G293-A296 WeakPolarHBondContact O-CB 3.16Å; G293-A296 PolarHBondContact O-N 3.21Å; V294-A296 VanDerWaalsContact C-N 3.32Å; V294-A296 PolarHBondContact O-N 3.24Å; A296-A300 WeakPolarHBondContact O-CB 3.42Å; A296-A300 PolarHBondContact O-N 3.28Å |
| 297 | V | 94.5 | Very high | 91.7 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.4 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | G293 V294 P295 A300 I301 | G293-V297 WeakPolarHBondContact O-CG2 3.34Å; G293-V297 PolarHBondContact O-N 3.45Å; G293-V297 VanDerWaalsContact O-N 3.1Å; V294-V297 PolarHBondContact O-N 3.03Å; P295-V297 PolarHBondContact O-N 2.88Å; V297-A300 PolarHBondContact O-N 3.39Å; V297-I301 HydrophobicContact CG1-CD1 3.86Å; V297-I301 VanDerWaalsContact O-CG1 3.32Å; V297-I301 WeakPolarHBondContact O-CG1 3.24Å; V297-I301 PolarHBondContact O-N 3.46Å |
| 298 | I | 91.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | -179.7 | -66.5 | 158.6 | 0 | 0 | 0 | 111.1 | Y260 V294 P295 I301 W302 P329 | Y260-I298 HydrophobicContact CE2-CD1 4.23Å; Y260-I298 VanDerWaalsContact OH-CD1 3.3Å; Y260-I298 WeakPolarHBondContact OH-CD1 3.29Å; V294-I298 HydrophobicContact CG1-CD1 3.77Å; V294-I298 WeakPolarHBondContact O-CD1 3.43Å; V294-I298 WeakPolarHBondContact O-CG1 3.4Å; V294-I298 PolarHBondContact O-N 3.47Å; V294-I298 VanDerWaalsContact O-N 3.1Å; P295-I298 PolarHBondContact O-N 3.27Å; I298-I301 PolarHBondContact O-N 2.88Å; I298-W302 PolarHBondContact O-N 2.71Å; I298-P329 HydrophobicContact CD1-CB 3.67Å; I298-P329 HydrophobicContact CD1-CG 4.34Å; I298-P329 HydrophobicContact CG1-CB 4.33Å; I298-P329 HydrophobicContact CG1-CG 4.48Å; I298-P329 HydrophobicContact CG2-CB 4.32Å; I298-P329 HydrophobicContact CG2-CG 4.11Å |
| 299 | V | 92.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.9 | -32.3 | -179.1 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | T249 P295 W302 A303 | T249-V299 HydrophobicContact CG2-CG1 3.78Å; P295-V299 WeakPolarHBondContact O-CG2 3.35Å; P295-V299 PolarHBondContact O-N 2.86Å; V299-W302 HydrophobicContact CG1-CE3 4.37Å; V299-W302 PolarHBondContact O-N 3.02Å; V299-A303 VanDerWaalsContact O-CB 3.23Å; V299-A303 WeakPolarHBondContact O-CB 3.01Å; V299-A303 PolarHBondContact O-N 3.02Å |
| 300 | A | 91.1 | Very high | 89.1 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 45% | 0.446 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A296 V297 T304 | A296-A300 WeakPolarHBondContact O-CB 3.42Å; A296-A300 PolarHBondContact O-N 3.28Å; V297-A300 PolarHBondContact O-N 3.39Å; A300-T304 WeakPolarHBondContact O-CB 3.03Å; A300-T304 PolarHBondContact O-N 2.97Å; A300-T304 PolarHBondContact O-OG1 3.29Å |
| 301 | I | 90.4 | Very high | 88.1 | Confident | 94 Ų | 94 | 46.5 Ų | 46.5 | 48% | 0.482 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 174 | -68.9 | 165.2 | 0 | 0 | 0 | 110.1 | V297 I298 A303 T304 V305 I325 | V297-I301 HydrophobicContact CG1-CD1 3.86Å; V297-I301 VanDerWaalsContact O-CG1 3.32Å; V297-I301 WeakPolarHBondContact O-CG1 3.24Å; V297-I301 PolarHBondContact O-N 3.46Å; I298-I301 PolarHBondContact O-N 2.88Å; I301-A303 PolarHBondContact O-N 3.49Å; I301-T304 PolarHBondContact O-N 3.03Å; I301-V305 WeakPolarHBondContact O-CG2 3.43Å; I301-V305 PolarHBondContact O-N 3.44Å; I301-I325 HydrophobicContact CG2-CG2 4.44Å |
| 302 | W | 89 | Confident | 86.7 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.4 | -49 | 177.9 | 171.4 | 81.5 | 0 | 0 | 0 | 112.6 | V248 M252 I298 V299 T304 V305 R306 W315 L322 I325 Y326 | V248-W302 HydrophobicContact CG1-CH2 4.46Å; M252-W302 HydrophobicContact CG-CH2 4.45Å; I298-W302 PolarHBondContact O-N 2.71Å; V299-W302 HydrophobicContact CG1-CE3 4.37Å; V299-W302 PolarHBondContact O-N 3.02Å; W302-T304 VanDerWaalsContact C-N 3.32Å; W302-T304 PolarHBondContact O-N 2.92Å; W302-V305 PolarHBondContact O-N 3.47Å; W302-R306 HydrophobicContact CD2-CG 4.14Å; W302-R306 HydrophobicContact CH2-CG 4.45Å; W302-R306 HydrophobicContact CZ2-CG 3.85Å; W302-R306 WeakPolarHBondContact O-CG 2.95Å; W302-R306 PolarHBondContact O-N 2.89Å; W302-W315 HydrophobicContact CH2-CB 4.22Å; W302-W315 HydrophobicContact CH2-CE3 4.25Å; W302-W315 HydrophobicContact CZ3-CE3 4.18Å; W302-L322 VanDerWaalsContact CD1-O 3.23Å; W302-L322 PolarHBondContact NE1-O 2.92Å; W302-I325 HydrophobicContact CB-CG2 4.2Å; W302-Y326 AromaticContact CD1-CD1 3.75Å; W302-Y326 HydrophobicContact CG-CD1 4.3Å; W302-Y326 AromaticContact NE1-CD1 3.57Å |
| 303 | A | 89.1 | Confident | 85.5 | Confident | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | T249 V299 I301 A307 W315 | T249-A303 HydrophobicContact CG2-CB 4.17Å; V299-A303 VanDerWaalsContact O-CB 3.23Å; V299-A303 WeakPolarHBondContact O-CB 3.01Å; V299-A303 PolarHBondContact O-N 3.02Å; I301-A303 PolarHBondContact O-N 3.49Å; A303-A307 VanDerWaalsContact O-CB 3.29Å; A303-A307 WeakPolarHBondContact O-CB 3.35Å; A303-A307 PolarHBondContact O-N 2.93Å; A303-W315 HydrophobicContact CB-CH2 4.4Å; A303-W315 HydrophobicContact CB-CZ3 3.95Å |
| 304 | T | 87.7 | Confident | 84.6 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 174.2 | -56 | 0 | 0 | 0 | 0 | 110.8 | A300 I301 W302 A307 T308 | A300-T304 WeakPolarHBondContact O-CB 3.03Å; A300-T304 PolarHBondContact O-N 2.97Å; A300-T304 PolarHBondContact O-OG1 3.29Å; I301-T304 PolarHBondContact O-N 3.03Å; W302-T304 VanDerWaalsContact C-N 3.32Å; W302-T304 PolarHBondContact O-N 2.92Å; T304-A307 PolarHBondContact O-N 3.37Å; T304-T308 WeakPolarHBondContact O-CG2 3.28Å; T304-T308 PolarHBondContact O-N 2.03Å; T304-T308 PolarHBondContact O-OG1 3.32Å |
| 305 | V | 86.5 | Confident | 83.9 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 179.5 | 174 | 0 | 0 | 0 | 0 | 111.5 | I301 W302 T308 L309 L322 I325 | I301-V305 WeakPolarHBondContact O-CG2 3.43Å; I301-V305 PolarHBondContact O-N 3.44Å; W302-V305 PolarHBondContact O-N 3.47Å; V305-T308 WeakPolarHBondContact CA-OG1 3.38Å; V305-T308 PolarHBondContact O-N 2.94Å; V305-T308 PolarHBondContact O-OG1 3Å; V305-L309 HydrophobicContact CG1-CD1 3.7Å; V305-L309 HydrophobicContact CG1-CG 4.34Å; V305-L309 WeakPolarHBondContact O-CB 3.4Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 3.17Å; V305-L322 HydrophobicContact CG1-CD2 4.03Å; V305-I325 HydrophobicContact CB-CD1 4.38Å; V305-I325 HydrophobicContact CG1-CD1 3.86Å |
| 306 | R | 83.3 | Confident | 82.9 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 172.6 | -71.7 | -66.1 | -67.3 | -128.1 | -1.4 | 111.2 | W302 T308 L309 A310 W315 L317 | W302-R306 HydrophobicContact CD2-CG 4.14Å; W302-R306 HydrophobicContact CH2-CG 4.45Å; W302-R306 HydrophobicContact CZ2-CG 3.85Å; W302-R306 WeakPolarHBondContact O-CG 2.95Å; W302-R306 PolarHBondContact O-N 2.89Å; R306-T308 PolarHBondContact O-N 2.95Å; R306-L309 PolarHBondContact O-N 3.37Å; R306-A310 CarbonylContact O-C 3.5Å; R306-A310 PolarHBondContact O-N 3.41Å; R306-W315 HydrophobicContact CB-CD2 4.35Å; R306-W315 HydrophobicContact CB-CZ2 4.42Å; R306-L317 PolarHBondContact NH1-O 3.24Å; R306-L317 VanDerWaalsContact NH1-O 3.15Å; R306-L317 PolarHBondContact NH2-O 3.11Å |
| 307 | A | 84.3 | Confident | 81.4 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -24.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A303 T304 W315 | A303-A307 VanDerWaalsContact O-CB 3.29Å; A303-A307 WeakPolarHBondContact O-CB 3.35Å; A303-A307 PolarHBondContact O-N 2.93Å; T304-A307 PolarHBondContact O-N 3.37Å; A307-W315 HydrophobicContact CB-CH2 4.13Å; A307-W315 HydrophobicContact CB-CZ2 3.89Å |
| 308 | T | 82.2 | Confident | 79.9 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -91.1 | -27.1 | 176.8 | 53 | 0 | 0 | 0 | 0 | 115 | T304 V305 R306 | T304-T308 WeakPolarHBondContact O-CG2 3.28Å; T304-T308 PolarHBondContact O-N 2.03Å; T304-T308 PolarHBondContact O-OG1 3.32Å; V305-T308 WeakPolarHBondContact CA-OG1 3.38Å; V305-T308 PolarHBondContact O-N 2.94Å; V305-T308 PolarHBondContact O-OG1 3Å; R306-T308 PolarHBondContact O-N 2.95Å |
| 309 | L | 74.5 | Confident | 78.3 | Confident | 125 Ų | 125 | 56 Ų | 56 | 65% | 0.654 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -110.3 | -29.1 | -172.7 | -61.5 | -177.8 | 0 | 0 | 0 | 114.1 | V305 R306 L322 | V305-L309 HydrophobicContact CG1-CD1 3.7Å; V305-L309 HydrophobicContact CG1-CG 4.34Å; V305-L309 WeakPolarHBondContact O-CB 3.4Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 3.17Å; R306-L309 PolarHBondContact O-N 3.37Å; L309-L322 HydrophobicContact CD1-CD2 4.28Å |
| 310 | A | 68.7 | Low | 77.1 | Confident | 21 Ų | 21 | 56 Ų | 56 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | trans | -153.4 | 67.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R306 T312 L322 | R306-A310 CarbonylContact O-C 3.5Å; R306-A310 PolarHBondContact O-N 3.41Å; A310-T312 PolarHBondContact O-N 2.96Å; A310-L322 HydrophobicContact CB-CD1 4.41Å | ||
| 311 | D | 72.3 | Confident | 76.2 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | trans | -85.8 | 16.6 | 179.1 | -157.9 | 48.7 | 0 | 0 | 0 | 114.1 | K245 W315 | K245-D311 PolarHBondContact NZ-O 3.36Å; K245-D311 IonicContact NZ-OD1 2.9Å; K245-D311 PolarHBondContact NZ-OD1 2.7Å; K245-D311 IonicContact NZ-OD2 3.28Å; K245-D311 PolarHBondContact NZ-OD2 3.32Å; D311-W315 WeakPolarHBondContact OD1-CZ2 3.44Å; D311-W315 PolarHBondContact OD1-NE1 3.28Å | ||
| 312 | T | 66.4 | Low | 75.4 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 66% | 0.656 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -67.7 | 148.1 | 173.2 | 43.1 | 0 | 0 | 0 | 0 | 111.9 | A310 | A310-T312 PolarHBondContact O-N 2.96Š|
| 313 | E | 70.9 | Confident | 74.9 | Confident | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 45.9 | -129.8 | 169.8 | -55.1 | -147.6 | 103.1 | 0 | 0 | 116.1 | F241 K245 L317 | F241-E313 HydrophobicContact CE1-CB 4.44Å; K245-E313 WeakPolarHBondContact CE-O 3.23Å; E313-L317 WeakPolarHBondContact OE2-CD1 3.2Å |
| 314 | C | 77.3 | Confident | 74.6 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 14% | 0.142 | 32% | 0.32 | C | S | . | . | trans | -116.8 | 142.1 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | C244 D316 | C244-C314 HydrophobicContact CB-CB 3.76Å; C244-C314 WeakPolarHBondContact CB-SG 3.21Å; C244-C314 WeakPolarHBondContact SG-CB 3.41Å; C244-C314 CovalentContact SG-SG 2.03Å; C244-C314 PolarHBondContact SG-SG 3.47Å; C314-D316 PolarHBondContact O-N 2.8Å | ||
| 315 | W | 78.8 | Confident | 74.4 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 14.7 | -171.7 | -59.2 | -18.3 | 0 | 0 | 0 | 115.9 | K245 V248 T249 W302 A303 R306 A307 D311 L317 | K245-W315 HydrophobicContact CB-CD2 4.05Å; K245-W315 HydrophobicContact CB-CE3 4.12Å; K245-W315 HydrophobicContact CB-CZ3 4.43Å; K245-W315 HydrophobicContact CD-CD2 4.26Å; K245-W315 HydrophobicContact CD-CZ2 4Å; K245-W315 HydrophobicContact CG-CD2 3.84Å; K245-W315 HydrophobicContact CG-CE3 4.42Å; K245-W315 HydrophobicContact CG-CG 3.95Å; K245-W315 HydrophobicContact CG-CZ2 4.43Å; V248-W315 HydrophobicContact CG1-CB 4.43Å; T249-W315 VanDerWaalsContact OG1-CZ3 3.32Å; T249-W315 WeakPolarHBondContact OG1-CZ3 3.32Å; W302-W315 HydrophobicContact CH2-CB 4.22Å; W302-W315 HydrophobicContact CH2-CE3 4.25Å; W302-W315 HydrophobicContact CZ3-CE3 4.18Å; A303-W315 HydrophobicContact CB-CH2 4.4Å; A303-W315 HydrophobicContact CB-CZ3 3.95Å; R306-W315 HydrophobicContact CB-CD2 4.35Å; R306-W315 HydrophobicContact CB-CZ2 4.42Å; A307-W315 HydrophobicContact CB-CH2 4.13Å; A307-W315 HydrophobicContact CB-CZ2 3.89Å; D311-W315 WeakPolarHBondContact OD1-CZ2 3.44Å; D311-W315 PolarHBondContact OD1-NE1 3.28Å; W315-L317 VanDerWaalsContact C-N 3.3Å |
| 316 | D | 73.8 | Confident | 74.3 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24.3 | 170.5 | -144.9 | 57.3 | 0 | 0 | 0 | 111.7 | K206 L210 V248 C314 S318 | K206-D316 IonicContact NZ-OD1 2.73Å; K206-D316 PolarHBondContact NZ-OD1 3.47Å; K206-D316 IonicContact NZ-OD2 4Å; K206-D316 PolarHBondContact NZ-OD2 2.89Å; L210-D316 HydrophobicContact CD2-CB 4.03Å; L210-D316 VanDerWaalsContact CD2-CG 3.46Å; L210-D316 WeakPolarHBondContact CD2-OD2 3.37Å; V248-D316 HydrophobicContact CG2-CB 4.14Å; C314-D316 PolarHBondContact O-N 2.8Å; D316-S318 PolarHBondContact O-N 3.39Å |
| 317 | L | 64.3 | Low | 74.4 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -66.9 | 126.6 | 174.9 | -73.6 | 167.1 | 0 | 0 | 0 | 112 | R306 E313 W315 A319 | R306-L317 PolarHBondContact NH1-O 3.24Å; R306-L317 VanDerWaalsContact NH1-O 3.15Å; R306-L317 PolarHBondContact NH2-O 3.11Å; E313-L317 WeakPolarHBondContact OE2-CD1 3.2Å; W315-L317 VanDerWaalsContact C-N 3.3Å; L317-A319 VanDerWaalsContact C-N 3.3Å; L317-A319 PolarHBondContact O-N 3.07Å |
| 318 | S | 63.5 | Low | 74.4 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | trans | -79 | 64.4 | -176.2 | 172.7 | 0 | 0 | 0 | 0 | 112.8 | D316 G320 | D316-S318 PolarHBondContact O-N 3.39Å; S318-G320 PolarHBondContact O-N 3.45Å | ||
| 319 | A | 58.2 | Low | 74.8 | Confident | 29 Ų | 29 | 49 Ų | 49 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | trans | -57.2 | 96.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L317 N321 L322 | L317-A319 VanDerWaalsContact C-N 3.3Å; L317-A319 PolarHBondContact O-N 3.07Å; A319-N321 PolarHBondContact O-N 2.98Å; A319-L322 PolarHBondContact O-N 2.88Å | ||
| 320 | G | 67.9 | Low | 75.5 | Confident | 6 Ų | 6 | 44 Ų | 44 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | 36.7 | -124.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S318 L322 K323 | S318-G320 PolarHBondContact O-N 3.45Å; G320-L322 VanDerWaalsContact C-N 3.27Å; G320-L322 PolarHBondContact O-N 3.29Å; G320-K323 WeakPolarHBondContact O-CG 3.39Å |
| 321 | N | 71.1 | Confident | 76.3 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -71.2 | -14 | -173.5 | -74.7 | -63.5 | 0 | 0 | 0 | 114.9 | C34 V36 A319 K323 W324 | C34-N321 PolarHBondContact O-ND2 2.99Å; C34-N321 PolarHBondContact O-OD1 3.3Å; V36-N321 WeakPolarHBondContact CB-OD1 3.26Å; V36-N321 PolarHBondContact N-OD1 2.95Å; V36-N321 PolarHBondContact O-ND2 2.78Å; V36-N321 PolarHBondContact O-OD1 3.45Å; A319-N321 PolarHBondContact O-N 2.98Å; N321-K323 PolarHBondContact O-N 2.85Å; N321-W324 PolarHBondContact O-N 3.06Å |
| 322 | L | 73.4 | Confident | 77.1 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -67.7 | -12.2 | -173.4 | -56.8 | -177.8 | 0 | 0 | 0 | 113.1 | W302 V305 L309 A310 A319 G320 I325 | W302-L322 VanDerWaalsContact CD1-O 3.23Å; W302-L322 PolarHBondContact NE1-O 2.92Å; V305-L322 HydrophobicContact CG1-CD2 4.03Å; L309-L322 HydrophobicContact CD1-CD2 4.28Å; A310-L322 HydrophobicContact CB-CD1 4.41Å; A319-L322 PolarHBondContact O-N 2.88Å; G320-L322 VanDerWaalsContact C-N 3.27Å; G320-L322 PolarHBondContact O-N 3.29Å; L322-I325 HydrophobicContact CD2-CD1 3.92Å |
| 323 | K | 78.6 | Confident | 78.2 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -68.3 | -35.5 | 169.7 | 66.9 | -165.5 | 171.3 | -169.7 | 0 | 113.6 | G320 N321 I325 Y326 Q327 | G320-K323 WeakPolarHBondContact O-CG 3.39Å; N321-K323 PolarHBondContact O-N 2.85Å; K323-I325 PolarHBondContact O-N 2.87Å; K323-Y326 HydrophobicContact CB-CE1 4.01Å; K323-Y326 WeakPolarHBondContact O-CD1 3.35Å; K323-Y326 WeakPolarHBondContact O-CE1 3.43Å; K323-Y326 PolarHBondContact O-N 3.41Å; K323-Q327 WeakPolarHBondContact O-CB 3.41Å; K323-Q327 PolarHBondContact O-N 3.37Å |
| 324 | W | 83.1 | Confident | 79 | Confident | 45 Ų | 45 | 37.2 Ų | 37.2 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -28.1 | -176.5 | -66.4 | 118.8 | 0 | 0 | 0 | 113.2 | V36 N321 Y326 Q327 V328 | V36-W324 HydrophobicContact CG2-CZ2 4.29Å; N321-W324 PolarHBondContact O-N 3.06Å; W324-Y326 VanDerWaalsContact C-N 3.28Å; W324-Y326 PolarHBondContact O-N 3.31Å; W324-Q327 HydrophobicContact CE3-CB 4.45Å; W324-Q327 HydrophobicContact CE3-CG 4.5Å; W324-Q327 PolarHBondContact O-N 3.43Å; W324-V328 HydrophobicContact CB-CG2 4.19Å; W324-V328 HydrophobicContact CE3-CG2 3.9Å; W324-V328 WeakPolarHBondContact O-CB 3.45Å; W324-V328 WeakPolarHBondContact O-CG2 3.09Å; W324-V328 PolarHBondContact O-N 2.84Å |
| 325 | I | 83.9 | Confident | 79.5 | Confident | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.205 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.1 | -39.7 | 177.5 | -58.8 | 174.6 | 0 | 0 | 0 | 111.8 | I301 W302 V305 L322 K323 P329 | I301-I325 HydrophobicContact CG2-CG2 4.44Å; W302-I325 HydrophobicContact CB-CG2 4.2Å; V305-I325 HydrophobicContact CB-CD1 4.38Å; V305-I325 HydrophobicContact CG1-CD1 3.86Å; L322-I325 HydrophobicContact CD2-CD1 3.92Å; K323-I325 PolarHBondContact O-N 2.87Å; I325-P329 WeakPolarHBondContact O-CD 3.45Å |
| 326 | Y | 83.9 | Confident | 80 | Confident | 47 Ų | 47 | 41.3 Ų | 41.3 | 18% | 0.184 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -96.2 | -31.4 | 176 | 81.3 | -97.4 | 0 | 0 | 0 | 112.9 | M252 W302 K323 W324 I330 | M252-Y326 HydrophobicContact CE-CE1 4.25Å; M252-Y326 HydrophobicContact CE-CE2 4.41Å; M252-Y326 HydrophobicContact SD-CD2 4.41Å; M252-Y326 HydrophobicContact SD-CE2 3.93Å; W302-Y326 AromaticContact CD1-CD1 3.75Å; W302-Y326 HydrophobicContact CG-CD1 4.3Å; W302-Y326 AromaticContact NE1-CD1 3.57Å; K323-Y326 HydrophobicContact CB-CE1 4.01Å; K323-Y326 WeakPolarHBondContact O-CD1 3.35Å; K323-Y326 WeakPolarHBondContact O-CE1 3.43Å; K323-Y326 PolarHBondContact O-N 3.41Å; W324-Y326 VanDerWaalsContact C-N 3.28Å; W324-Y326 PolarHBondContact O-N 3.31Å; Y326-I330 HydrophobicContact CD2-CD1 4.06Å; Y326-I330 WeakPolarHBondContact O-CG1 3.19Å |
| 327 | Q | 84.5 | Confident | 80.7 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.3 | -37.5 | -174.9 | -172.7 | 170.2 | -18.2 | 0 | 0 | 113.1 | K323 W324 I330 L331 H388 Y392 | K323-Q327 WeakPolarHBondContact O-CB 3.41Å; K323-Q327 PolarHBondContact O-N 3.37Å; W324-Q327 HydrophobicContact CE3-CB 4.45Å; W324-Q327 HydrophobicContact CE3-CG 4.5Å; W324-Q327 PolarHBondContact O-N 3.43Å; Q327-I330 PolarHBondContact O-N 3.26Å; Q327-L331 WeakPolarHBondContact O-CB 3.31Å; Q327-L331 PolarHBondContact O-N 3.3Å; Q327-H388 PolarHBondContact NE2-NE2 2.93Å; Q327-Y392 PolarHBondContact NE2-OH 3.19Å |
| 328 | V | 86.1 | Confident | 81.8 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 179.9 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | L30 L33 W324 I330 L331 V332 | L30-V328 HydrophobicContact CD2-CB 3.69Å; L30-V328 HydrophobicContact CD2-CG1 3.6Å; L30-V328 HydrophobicContact CD2-CG2 4.43Å; L33-V328 HydrophobicContact CD1-CG1 4.08Å; L33-V328 HydrophobicContact CD1-CG2 4.37Å; W324-V328 HydrophobicContact CB-CG2 4.19Å; W324-V328 HydrophobicContact CE3-CG2 3.9Å; W324-V328 WeakPolarHBondContact O-CB 3.45Å; W324-V328 WeakPolarHBondContact O-CG2 3.09Å; W324-V328 PolarHBondContact O-N 2.84Å; V328-I330 VanDerWaalsContact C-N 3.31Å; V328-I330 PolarHBondContact O-N 3.02Å; V328-L331 PolarHBondContact O-N 2.81Å; V328-V332 HydrophobicContact CG1-CG2 4.34Å; V328-V332 WeakPolarHBondContact O-CG2 3.49Å; V328-V332 PolarHBondContact O-N 2.91Å |
| 329 | P | 90.5 | Very high | 83 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.4 | -38.9 | 173.7 | -28.2 | 36.3 | 0 | 0 | 0 | 114.2 | I298 I325 V332 A333 | I298-P329 HydrophobicContact CD1-CB 3.67Å; I298-P329 HydrophobicContact CD1-CG 4.34Å; I298-P329 HydrophobicContact CG1-CB 4.33Å; I298-P329 HydrophobicContact CG1-CG 4.48Å; I298-P329 HydrophobicContact CG2-CB 4.32Å; I298-P329 HydrophobicContact CG2-CG 4.11Å; I325-P329 WeakPolarHBondContact O-CD 3.45Å; P329-V332 PolarHBondContact O-N 3.4Å; P329-A333 WeakPolarHBondContact O-CB 3.46Å; P329-A333 PolarHBondContact O-N 3.04Å |
| 330 | I | 88.8 | Confident | 84.5 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.108 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 176.4 | -64.4 | 172.3 | 0 | 0 | 0 | 110.6 | A256 Y259 Y326 Q327 V328 V332 A333 V334 | A256-I330 HydrophobicContact CB-CD1 3.97Å; A256-I330 HydrophobicContact CB-CG1 4.32Å; Y259-I330 HydrophobicContact CD1-CG2 4.4Å; Y259-I330 HydrophobicContact CD2-CG2 3.53Å; Y259-I330 HydrophobicContact CE2-CG2 3.87Å; Y259-I330 HydrophobicContact CG-CG2 3.83Å; Y326-I330 HydrophobicContact CD2-CD1 4.06Å; Y326-I330 WeakPolarHBondContact O-CG1 3.19Å; Q327-I330 PolarHBondContact O-N 3.26Å; V328-I330 VanDerWaalsContact C-N 3.31Å; V328-I330 PolarHBondContact O-N 3.02Å; I330-V332 VanDerWaalsContact C-N 3.35Å; I330-V332 PolarHBondContact O-N 3.15Å; I330-A333 WeakPolarHBondContact O-CB 3.49Å; I330-A333 PolarHBondContact O-N 2.8Å; I330-V334 HydrophobicContact CG2-CG2 4.5Å; I330-V334 WeakPolarHBondContact O-CG2 3.37Å; I330-V334 PolarHBondContact O-N 2.79Å |
| 331 | L | 85.8 | Confident | 85.3 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.267 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.8 | 176.8 | 61.3 | 0 | 0 | 0 | 111.6 | Q327 V328 A333 V334 V335 | Q327-L331 WeakPolarHBondContact O-CB 3.31Å; Q327-L331 PolarHBondContact O-N 3.3Å; V328-L331 PolarHBondContact O-N 2.81Å; L331-A333 PolarHBondContact O-N 3.43Å; L331-V334 PolarHBondContact O-N 3.48Å; L331-V335 HydrophobicContact CD1-CG2 4.16Å; L331-V335 WeakPolarHBondContact O-CG2 3.42Å; L331-V335 PolarHBondContact O-N 2.84Å |
| 332 | V | 88.6 | Confident | 86 | Confident | 69 Ų | 69 | 40.4 Ų | 40.4 | 42% | 0.418 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | V328 P329 I330 V334 V335 I336 | V328-V332 HydrophobicContact CG1-CG2 4.34Å; V328-V332 WeakPolarHBondContact O-CG2 3.49Å; V328-V332 PolarHBondContact O-N 2.91Å; P329-V332 PolarHBondContact O-N 3.4Å; I330-V332 VanDerWaalsContact C-N 3.35Å; I330-V332 PolarHBondContact O-N 3.15Å; V332-V334 VanDerWaalsContact C-N 3.35Å; V332-V334 PolarHBondContact O-N 2.84Å; V332-V335 PolarHBondContact O-N 2.85Å; V332-I336 HydrophobicContact CG1-CD1 3.79Å; V332-I336 HydrophobicContact CG1-CG1 4.47Å; V332-I336 VanDerWaalsContact O-CG1 3.26Å; V332-I336 WeakPolarHBondContact O-CG1 3.45Å; V332-I336 PolarHBondContact O-N 3.46Å |
| 333 | A | 89.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y260 L263 P329 I330 L331 N337 | Y260-A333 HydrophobicContact CD2-CB 4.48Å; Y260-A333 HydrophobicContact CE2-CB 4.08Å; L263-A333 HydrophobicContact CD2-CB 3.83Å; P329-A333 WeakPolarHBondContact O-CB 3.46Å; P329-A333 PolarHBondContact O-N 3.04Å; I330-A333 WeakPolarHBondContact O-CB 3.49Å; I330-A333 PolarHBondContact O-N 2.8Å; L331-A333 PolarHBondContact O-N 3.43Å; A333-N337 WeakPolarHBondContact O-CB 3.36Å; A333-N337 PolarHBondContact O-N 3.06Å |
| 334 | V | 87.1 | Confident | 87.1 | Confident | 21 Ų | 21 | 39.8 Ų | 39.8 | 13% | 0.127 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 177.4 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | Y259 I330 L331 V332 N337 F338 I385 | Y259-V334 HydrophobicContact CD1-CG2 3.82Å; Y259-V334 HydrophobicContact CE1-CG2 4.24Å; I330-V334 HydrophobicContact CG2-CG2 4.5Å; I330-V334 WeakPolarHBondContact O-CG2 3.37Å; I330-V334 PolarHBondContact O-N 2.79Å; L331-V334 PolarHBondContact O-N 3.48Å; V332-V334 VanDerWaalsContact C-N 3.35Å; V332-V334 PolarHBondContact O-N 2.84Å; V334-N337 PolarHBondContact O-N 2.99Å; V334-F338 PolarHBondContact O-N 3.31Å; V334-I385 HydrophobicContact CG1-CD1 3.94Å; V334-I385 HydrophobicContact CG1-CG1 3.47Å; V334-I385 VanDerWaalsContact CG1-CG1 3.47Å |
| 335 | V | 87 | Confident | 87.2 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.5 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | L331 V332 N337 F338 I339 I385 | L331-V335 HydrophobicContact CD1-CG2 4.16Å; L331-V335 WeakPolarHBondContact O-CG2 3.42Å; L331-V335 PolarHBondContact O-N 2.84Å; V332-V335 PolarHBondContact O-N 2.85Å; V335-N337 VanDerWaalsContact C-N 3.31Å; V335-N337 PolarHBondContact O-N 3.47Å; V335-F338 PolarHBondContact O-N 3.34Å; V335-I339 HydrophobicContact CG1-CD1 4.19Å; V335-I339 WeakPolarHBondContact O-CG1 3.2Å; V335-I339 PolarHBondContact O-N 2.71Å; V335-I339 VanDerWaalsContact O-N 3.11Å; V335-I385 HydrophobicContact CG2-CD1 4.47Å |
| 336 | I | 89.9 | Confident | 87.3 | Confident | 73 Ų | 73 | 46 Ų | 46 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 173.9 | -68.1 | 165.9 | 0 | 0 | 0 | 110.1 | L263 V332 F338 I339 L340 | L263-I336 HydrophobicContact CD1-CB 4.26Å; L263-I336 HydrophobicContact CD1-CG2 3.77Å; V332-I336 HydrophobicContact CG1-CD1 3.79Å; V332-I336 HydrophobicContact CG1-CG1 4.47Å; V332-I336 VanDerWaalsContact O-CG1 3.26Å; V332-I336 WeakPolarHBondContact O-CG1 3.45Å; V332-I336 PolarHBondContact O-N 3.46Å; I336-F338 VanDerWaalsContact C-N 3.29Å; I336-F338 PolarHBondContact O-N 3.07Å; I336-I339 PolarHBondContact O-N 3.31Å; I336-I339 VanDerWaalsContact O-N 3.17Å; I336-L340 HydrophobicContact CG2-CD1 4.15Å; I336-L340 HydrophobicContact CG2-CG 4.46Å; I336-L340 WeakPolarHBondContact O-CG 3.42Å; I336-L340 PolarHBondContact O-N 3.42Å |
| 337 | N | 89.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -34.5 | -179.4 | -160 | 48.2 | 0 | 0 | 0 | 113.1 | L263 A333 V334 V335 L340 F341 F380 | L263-N337 HydrophobicContact CD1-CB 3.99Å; A333-N337 WeakPolarHBondContact O-CB 3.36Å; A333-N337 PolarHBondContact O-N 3.06Å; V334-N337 PolarHBondContact O-N 2.99Å; V335-N337 VanDerWaalsContact C-N 3.31Å; V335-N337 PolarHBondContact O-N 3.47Å; N337-L340 PolarHBondContact O-N 3.33Å; N337-F341 WeakPolarHBondContact O-CB 3.2Å; N337-F341 PolarHBondContact O-N 3.28Å; N337-F380 WeakPolarHBondContact ND2-CB 3.48Å; N337-F380 PolarHBondContact ND2-O 2.87Å |
| 338 | F | 87.3 | Confident | 87.3 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.6 | -38.8 | 173.8 | 176.9 | -111.5 | 0 | 0 | 0 | 113.2 | V334 V335 I336 L340 F341 L342 V382 I385 | V334-F338 PolarHBondContact O-N 3.31Å; V335-F338 PolarHBondContact O-N 3.34Å; I336-F338 VanDerWaalsContact C-N 3.29Å; I336-F338 PolarHBondContact O-N 3.07Å; F338-L340 VanDerWaalsContact C-N 3.31Å; F338-L340 PolarHBondContact O-N 3.47Å; F338-F341 HydrophobicContact CD2-CD1 4.01Å; F338-F341 HydrophobicContact CE2-CD1 4.23Å; F338-F341 WeakPolarHBondContact O-CB 3.43Å; F338-F341 PolarHBondContact O-N 2.67Å; F338-L342 HydrophobicContact CD1-CD1 4.21Å; F338-L342 HydrophobicContact CE1-CD1 3.7Å; F338-L342 HydrophobicContact CE1-CG 4.35Å; F338-L342 HydrophobicContact CE2-CD1 4.44Å; F338-L342 HydrophobicContact CE2-CD2 4.26Å; F338-L342 HydrophobicContact CE2-CG 4.27Å; F338-L342 HydrophobicContact CZ-CD1 3.84Å; F338-L342 HydrophobicContact CZ-CD2 4.22Å; F338-L342 HydrophobicContact CZ-CG 4.15Å; F338-L342 WeakPolarHBondContact O-CG 3.19Å; F338-L342 PolarHBondContact O-N 3.38Å; F338-V382 HydrophobicContact CD2-CG1 3.79Å; F338-V382 HydrophobicContact CD2-CG2 4.29Å; F338-V382 HydrophobicContact CE2-CG1 3.82Å; F338-I385 HydrophobicContact CB-CD1 3.28Å; F338-I385 HydrophobicContact CD1-CD1 3.96Å; F338-I385 HydrophobicContact CD2-CD1 4.28Å; F338-I385 HydrophobicContact CG-CD1 3.61Å |
| 339 | I | 88.6 | Confident | 87 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.2 | -42 | 173 | -65.1 | 165.1 | 0 | 0 | 0 | 110.3 | V335 I336 L342 N343 | V335-I339 HydrophobicContact CG1-CD1 4.19Å; V335-I339 WeakPolarHBondContact O-CG1 3.2Å; V335-I339 PolarHBondContact O-N 2.71Å; V335-I339 VanDerWaalsContact O-N 3.11Å; I336-I339 PolarHBondContact O-N 3.31Å; I336-I339 VanDerWaalsContact O-N 3.17Å; I339-L342 PolarHBondContact O-N 2.99Å; I339-N343 PolarHBondContact O-N 2.84Å; I339-N343 VanDerWaalsContact O-N 3.12Å |
| 340 | L | 88.3 | Confident | 86.7 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.7 | -63.5 | 170.4 | 0 | 0 | 0 | 111.5 | L263 L267 H270 I336 N337 F338 L342 N343 I344 | L263-L340 HydrophobicContact CD1-CD1 3.95Å; L267-L340 HydrophobicContact CB-CD1 4.49Å; L267-L340 HydrophobicContact CD2-CD1 3.57Å; L267-L340 HydrophobicContact CD2-CD2 4.3Å; L267-L340 HydrophobicContact CG-CD1 3.72Å; H270-L340 HydrophobicContact CB-CD2 4.03Å; I336-L340 HydrophobicContact CG2-CD1 4.15Å; I336-L340 HydrophobicContact CG2-CG 4.46Å; I336-L340 WeakPolarHBondContact O-CG 3.42Å; I336-L340 PolarHBondContact O-N 3.42Å; N337-L340 PolarHBondContact O-N 3.33Å; F338-L340 VanDerWaalsContact C-N 3.31Å; F338-L340 PolarHBondContact O-N 3.47Å; L340-L342 PolarHBondContact O-N 3.07Å; L340-N343 PolarHBondContact O-N 3.07Å; L340-I344 HydrophobicContact CB-CD1 4.47Å; L340-I344 WeakPolarHBondContact O-CB 3.15Å; L340-I344 WeakPolarHBondContact O-CD1 3.32Å; L340-I344 WeakPolarHBondContact O-CG1 3.24Å; L340-I344 PolarHBondContact O-N 3.31Å |
| 341 | F | 86.1 | Confident | 86.2 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 176.6 | 167.6 | -110.3 | 0 | 0 | 0 | 113 | N337 F338 N343 I344 I345 T373 L376 M377 F380 V382 | N337-F341 WeakPolarHBondContact O-CB 3.2Å; N337-F341 PolarHBondContact O-N 3.28Å; F338-F341 HydrophobicContact CD2-CD1 4.01Å; F338-F341 HydrophobicContact CE2-CD1 4.23Å; F338-F341 WeakPolarHBondContact O-CB 3.43Å; F338-F341 PolarHBondContact O-N 2.67Å; F341-N343 PolarHBondContact O-N 2.89Å; F341-I344 PolarHBondContact O-N 2.94Å; F341-I345 HydrophobicContact CD1-CD1 4.38Å; F341-I345 HydrophobicContact CD2-CD1 3.87Å; F341-I345 HydrophobicContact CD2-CG1 4.29Å; F341-I345 HydrophobicContact CE1-CD1 3.83Å; F341-I345 HydrophobicContact CE2-CD1 3.31Å; F341-I345 HydrophobicContact CE2-CG1 4.12Å; F341-I345 HydrophobicContact CG-CD1 4.42Å; F341-I345 HydrophobicContact CZ-CD1 3.29Å; F341-I345 HydrophobicContact CZ-CG1 4.49Å; F341-I345 WeakPolarHBondContact O-CB 3.3Å; F341-I345 PolarHBondContact O-N 3.46Å; F341-T373 HydrophobicContact CZ-CG2 4.29Å; F341-L376 HydrophobicContact CD2-CD2 4.21Å; F341-L376 HydrophobicContact CD2-CG 4.26Å; F341-L376 HydrophobicContact CE2-CB 4.2Å; F341-L376 HydrophobicContact CE2-CD2 4.04Å; F341-L376 HydrophobicContact CE2-CG 3.98Å; F341-M377 HydrophobicContact CZ-CB 4.46Å; F341-F380 HydrophobicContact CB-CD2 4.23Å; F341-F380 AromaticContact CD2-CD2 3.51Å; F341-F380 HydrophobicContact CD2-CD2 3.51Å; F341-F380 HydrophobicContact CD2-CE2 4.08Å; F341-F380 HydrophobicContact CE2-CD2 4.23Å; F341-F380 HydrophobicContact CG-CD2 4.28Å; F341-V382 HydrophobicContact CB-CG2 4.38Å; F341-V382 HydrophobicContact CD1-CG1 4.34Å; F341-V382 HydrophobicContact CD1-CG2 3.55Å; F341-V382 HydrophobicContact CD2-CG2 4.16Å; F341-V382 HydrophobicContact CE1-CB 4.34Å; F341-V382 HydrophobicContact CE1-CG1 3.94Å; F341-V382 HydrophobicContact CE1-CG2 3.63Å; F341-V382 HydrophobicContact CE2-CG2 4.18Å; F341-V382 HydrophobicContact CG-CG2 3.8Å; F341-V382 HydrophobicContact CZ-CG2 3.92Å |
| 342 | L | 86.3 | Confident | 85.6 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 45% | 0.445 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.2 | -68.1 | 178.8 | 0 | 0 | 0 | 111.8 | F338 I339 L340 I345 R346 | F338-L342 HydrophobicContact CD1-CD1 4.21Å; F338-L342 HydrophobicContact CE1-CD1 3.7Å; F338-L342 HydrophobicContact CE1-CG 4.35Å; F338-L342 HydrophobicContact CE2-CD1 4.44Å; F338-L342 HydrophobicContact CE2-CD2 4.26Å; F338-L342 HydrophobicContact CE2-CG 4.27Å; F338-L342 HydrophobicContact CZ-CD1 3.84Å; F338-L342 HydrophobicContact CZ-CD2 4.22Å; F338-L342 HydrophobicContact CZ-CG 4.15Å; F338-L342 WeakPolarHBondContact O-CG 3.19Å; F338-L342 PolarHBondContact O-N 3.38Å; I339-L342 PolarHBondContact O-N 2.99Å; L340-L342 PolarHBondContact O-N 3.07Å; L342-I345 PolarHBondContact O-N 2.82Å; L342-R346 WeakPolarHBondContact O-CB 3.38Å; L342-R346 PolarHBondContact O-N 3.17Å |
| 343 | N | 88.8 | Confident | 85 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.7 | -72.9 | -19.6 | 0 | 0 | 0 | 112.4 | I339 L340 F341 R346 V347 | I339-N343 PolarHBondContact O-N 2.84Å; I339-N343 VanDerWaalsContact O-N 3.12Å; L340-N343 PolarHBondContact O-N 3.07Å; F341-N343 PolarHBondContact O-N 2.89Å; N343-R346 PolarHBondContact O-N 3.36Å; N343-V347 PolarHBondContact O-N 3.18Å |
| 344 | I | 86.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 175.5 | -71.8 | 158.5 | 0 | 0 | 0 | 110.3 | L269 H270 I273 L340 F341 R346 V347 L348 F380 | L269-I344 HydrophobicContact CD2-CB 4.45Å; L269-I344 HydrophobicContact CD2-CD1 3.83Å; L269-I344 HydrophobicContact CD2-CG1 3.92Å; L269-I344 HydrophobicContact CD2-CG2 3.63Å; H270-I344 HydrophobicContact CB-CD1 4.19Å; H270-I344 HydrophobicContact CB-CG1 4.25Å; I273-I344 HydrophobicContact CD1-CG1 4.42Å; I273-I344 HydrophobicContact CD1-CG2 4.25Å; L340-I344 HydrophobicContact CB-CD1 4.47Å; L340-I344 WeakPolarHBondContact O-CB 3.15Å; L340-I344 WeakPolarHBondContact O-CD1 3.32Å; L340-I344 WeakPolarHBondContact O-CG1 3.24Å; L340-I344 PolarHBondContact O-N 3.31Å; F341-I344 PolarHBondContact O-N 2.94Å; I344-R346 PolarHBondContact O-N 2.85Å; I344-V347 PolarHBondContact O-N 2.96Å; I344-L348 VanDerWaalsContact O-CB 3.25Å; I344-L348 WeakPolarHBondContact O-CB 3.25Å; I344-L348 PolarHBondContact O-N 3.01Å; I344-F380 HydrophobicContact CD1-CE2 4.28Å; I344-F380 HydrophobicContact CD1-CZ 4.08Å |
| 345 | I | 83.8 | Confident | 83.7 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 16% | 0.159 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 178.1 | -77.7 | -178.5 | 0 | 0 | 0 | 111.3 | F341 L342 V347 L348 A349 T373 L376 | F341-I345 HydrophobicContact CD1-CD1 4.38Å; F341-I345 HydrophobicContact CD2-CD1 3.87Å; F341-I345 HydrophobicContact CD2-CG1 4.29Å; F341-I345 HydrophobicContact CE1-CD1 3.83Å; F341-I345 HydrophobicContact CE2-CD1 3.31Å; F341-I345 HydrophobicContact CE2-CG1 4.12Å; F341-I345 HydrophobicContact CG-CD1 4.42Å; F341-I345 HydrophobicContact CZ-CD1 3.29Å; F341-I345 HydrophobicContact CZ-CG1 4.49Å; F341-I345 WeakPolarHBondContact O-CB 3.3Å; F341-I345 PolarHBondContact O-N 3.46Å; L342-I345 PolarHBondContact O-N 2.82Å; I345-V347 PolarHBondContact O-N 2.95Å; I345-L348 PolarHBondContact O-N 3.25Å; I345-A349 VanDerWaalsContact O-CB 3.24Å; I345-A349 WeakPolarHBondContact O-CB 3.19Å; I345-A349 PolarHBondContact O-N 2.66Å; I345-T373 HydrophobicContact CD1-CG2 3.65Å; I345-L376 HydrophobicContact CG1-CD2 4.33Å |
| 346 | R | 87.1 | Confident | 82.6 | Confident | 186 Ų | 186 | 65 Ų | 65 | 70% | 0.702 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57 | -51.6 | 177.1 | -177.8 | 178.5 | 179.2 | 173.3 | 0.8 | 111.2 | L342 N343 I344 A349 T350 | L342-R346 WeakPolarHBondContact O-CB 3.38Å; L342-R346 PolarHBondContact O-N 3.17Å; N343-R346 PolarHBondContact O-N 3.36Å; I344-R346 PolarHBondContact O-N 2.85Å; R346-A349 PolarHBondContact O-N 2.93Å; R346-T350 PolarHBondContact O-N 3.25Å; R346-T350 PolarHBondContact O-OG1 3.38Å; R346-T350 VanDerWaalsContact O-OG1 3.09Å |
| 347 | V | 85.9 | Confident | 81.1 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 22% | 0.218 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | I273 F274 N343 I344 I345 A349 T350 K351 | I273-V347 HydrophobicContact CG2-CB 4.19Å; I273-V347 HydrophobicContact CG2-CG1 3.65Å; F274-V347 HydrophobicContact CE1-CG2 4.04Å; F274-V347 HydrophobicContact CE2-CG2 4.08Å; F274-V347 HydrophobicContact CZ-CG2 3.45Å; F274-V347 VanDerWaalsContact CZ-CG2 3.45Å; N343-V347 PolarHBondContact O-N 3.18Å; I344-V347 PolarHBondContact O-N 2.96Å; I345-V347 PolarHBondContact O-N 2.95Å; V347-A349 VanDerWaalsContact C-N 3.35Å; V347-A349 PolarHBondContact O-N 2.91Å; V347-T350 PolarHBondContact O-N 3.15Å; V347-K351 HydrophobicContact CG1-CG 4.13Å; V347-K351 WeakPolarHBondContact O-CB 3.41Å; V347-K351 WeakPolarHBondContact O-CG 3.46Å; V347-K351 PolarHBondContact O-N 3.21Å |
| 348 | L | 81.4 | Confident | 79.6 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 29% | 0.293 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.9 | -179.7 | 60.7 | 0 | 0 | 0 | 111.6 | I344 I345 K351 L352 | I344-L348 VanDerWaalsContact O-CB 3.25Å; I344-L348 WeakPolarHBondContact O-CB 3.25Å; I344-L348 PolarHBondContact O-N 3.01Å; I345-L348 PolarHBondContact O-N 3.25Å; L348-K351 PolarHBondContact O-N 3.49Å; L348-L352 HydrophobicContact CD1-CD1 4.06Å; L348-L352 HydrophobicContact CD1-CG 4.19Å; L348-L352 HydrophobicContact CG-CD1 3.98Å; L348-L352 WeakPolarHBondContact O-CB 3.46Å; L348-L352 VanDerWaalsContact O-CG 3.25Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 3.4Å |
| 349 | A | 80.4 | Confident | 78.1 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I345 R346 V347 K351 L352 L353 L369 | I345-A349 VanDerWaalsContact O-CB 3.24Å; I345-A349 WeakPolarHBondContact O-CB 3.19Å; I345-A349 PolarHBondContact O-N 2.66Å; R346-A349 PolarHBondContact O-N 2.93Å; V347-A349 VanDerWaalsContact C-N 3.35Å; V347-A349 PolarHBondContact O-N 2.91Å; A349-K351 PolarHBondContact O-N 2.99Å; A349-L352 PolarHBondContact O-N 3.19Å; A349-L353 WeakPolarHBondContact O-CB 3.44Å; A349-L353 PolarHBondContact O-N 3.41Å; A349-L369 HydrophobicContact CB-CD1 4.2Å; A349-L369 HydrophobicContact CB-CD2 4.02Å |
| 350 | T | 83.4 | Confident | 76.5 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 174.9 | -58 | 0 | 0 | 0 | 0 | 111.8 | R346 V347 L353 E354 | R346-T350 PolarHBondContact O-N 3.25Å; R346-T350 PolarHBondContact O-OG1 3.38Å; R346-T350 VanDerWaalsContact O-OG1 3.09Å; V347-T350 PolarHBondContact O-N 3.15Å; T350-L353 WeakPolarHBondContact O-CB 3.4Å; T350-L353 PolarHBondContact O-N 3.36Å; T350-E354 WeakPolarHBondContact O-CG 2.96Å; T350-E354 PolarHBondContact O-N 3.25Å |
| 351 | K | 80 | Confident | 75.5 | Confident | 103 Ų | 103 | 79.2 Ų | 79.2 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.3 | -34 | -179.8 | -69.4 | -71.5 | 163.4 | -132.4 | 0 | 113.2 | V347 L348 A349 E354 T355 | V347-K351 HydrophobicContact CG1-CG 4.13Å; V347-K351 WeakPolarHBondContact O-CB 3.41Å; V347-K351 WeakPolarHBondContact O-CG 3.46Å; V347-K351 PolarHBondContact O-N 3.21Å; L348-K351 PolarHBondContact O-N 3.49Å; A349-K351 PolarHBondContact O-N 2.99Å; K351-E354 WeakPolarHBondContact CD-OE2 3.34Å; K351-E354 IonicContact NZ-OE1 2.79Å; K351-E354 PolarHBondContact NZ-OE1 3.47Å; K351-E354 IonicContact NZ-OE2 2.62Å; K351-E354 PolarHBondContact NZ-OE2 2.98Å; K351-T355 WeakPolarHBondContact O-CB 3.48Å; K351-T355 WeakPolarHBondContact O-CG2 3.33Å; K351-T355 PolarHBondContact O-N 3.15Å; K351-T355 VanDerWaalsContact O-N 3.1Å; K351-T355 PolarHBondContact O-OG1 2.89Å |
| 352 | L | 71.7 | Confident | 74.6 | Confident | 66 Ų | 66 | 83.2 Ų | 83.2 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 171.6 | -74.4 | 170.5 | 0 | 0 | 0 | 112.2 | L348 A349 T355 N356 L369 | L348-L352 HydrophobicContact CD1-CD1 4.06Å; L348-L352 HydrophobicContact CD1-CG 4.19Å; L348-L352 HydrophobicContact CG-CD1 3.98Å; L348-L352 WeakPolarHBondContact O-CB 3.46Å; L348-L352 VanDerWaalsContact O-CG 3.25Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 3.4Å; A349-L352 PolarHBondContact O-N 3.19Å; L352-T355 PolarHBondContact O-OG1 3.48Å; L352-N356 WeakPolarHBondContact O-CB 3.33Å; L352-N356 PolarHBondContact O-N 3.49Å; L352-N356 PolarHBondContact O-ND2 3.16Å; L352-L369 HydrophobicContact CD1-CD1 4.12Å |
| 353 | L | 76.2 | Confident | 73.6 | Confident | 113 Ų | 113 | 88.1 Ų | 88.1 | 59% | 0.592 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.6 | -50.5 | 175.4 | -175.7 | 63.6 | 0 | 0 | 0 | 111.4 | A349 T350 T355 N356 A357 | A349-L353 WeakPolarHBondContact O-CB 3.44Å; A349-L353 PolarHBondContact O-N 3.41Å; T350-L353 WeakPolarHBondContact O-CB 3.4Å; T350-L353 PolarHBondContact O-N 3.36Å; L353-T355 PolarHBondContact O-N 2.76Å; L353-N356 PolarHBondContact O-N 3.24Å; L353-A357 PolarHBondContact O-N 2.62Å |
| 354 | E | 80.3 | Confident | 72.6 | Confident | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -54.6 | -49 | 176 | -73.4 | 172.3 | -159.9 | 0 | 0 | 112.2 | T350 K351 N356 | T350-E354 WeakPolarHBondContact O-CG 2.96Å; T350-E354 PolarHBondContact O-N 3.25Å; K351-E354 WeakPolarHBondContact CD-OE2 3.34Å; K351-E354 IonicContact NZ-OE1 2.79Å; K351-E354 PolarHBondContact NZ-OE1 3.47Å; K351-E354 IonicContact NZ-OE2 2.62Å; K351-E354 PolarHBondContact NZ-OE2 2.98Å; E354-N356 VanDerWaalsContact C-N 3.28Å; E354-N356 PolarHBondContact O-N 3.49Å |
| 355 | T | 69.3 | Low | 71.6 | Confident | 104 Ų | 104 | 92 Ų | 92 | 64% | 0.638 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.4 | -11 | -173.5 | 49.8 | 0 | 0 | 0 | 0 | 114.9 | K351 L352 L353 | K351-T355 WeakPolarHBondContact O-CB 3.48Å; K351-T355 WeakPolarHBondContact O-CG2 3.33Å; K351-T355 PolarHBondContact O-N 3.15Å; K351-T355 VanDerWaalsContact O-N 3.1Å; K351-T355 PolarHBondContact O-OG1 2.89Å; L352-T355 PolarHBondContact O-OG1 3.48Å; L353-T355 PolarHBondContact O-N 2.76Å |
| 356 | N | 64.1 | Low | 70.7 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 28% | 0.283 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 12.2 | -174.3 | -69.1 | -94.9 | 0 | 0 | 0 | 114.2 | L352 L353 E354 G358 R359 | L352-N356 WeakPolarHBondContact O-CB 3.33Å; L352-N356 PolarHBondContact O-N 3.49Å; L352-N356 PolarHBondContact O-ND2 3.16Å; L353-N356 PolarHBondContact O-N 3.24Å; E354-N356 VanDerWaalsContact C-N 3.28Å; E354-N356 PolarHBondContact O-N 3.49Å; N356-G358 PolarHBondContact O-N 3.39Å; N356-R359 PolarHBondContact O-N 3.47Å |
| 357 | A | 59 | Low | 69.9 | Low | 98 Ų | 98 | 98.4 Ų | 98.4 | 81% | 0.81 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 9.9 | -173 | 0 | 0 | 0 | 0 | 0 | 117 | L353 | L353-A357 PolarHBondContact O-N 2.62Š|
| 358 | G | 56.7 | Low | 69.3 | Low | 69 Ų | 69 | 102.3 Ų | 102.3 | 71% | 0.711 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142 | 5.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | N356 | N356-G358 PolarHBondContact O-N 3.39Š|
| 359 | R | 56.9 | Low | 68.6 | Low | 237 Ų | 237 | 101.4 Ų | 101.4 | 89% | 0.894 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.2 | 22.8 | -172 | -147.5 | 89.2 | -179.2 | 128 | 1.7 | 118.4 | N356 | N356-R359 PolarHBondContact O-N 3.47Š|
| 360 | C | 54.5 | Low | 68 | Low | 47 Ų | 47 | 105.1 Ų | 105.1 | 32% | 0.318 | 53% | 0.528 | S | S | . | . | trans | -148 | 142.7 | 177.1 | -97.3 | 0 | 0 | 0 | 0 | 114.7 | Q365 | C360-Q365 HydrophobicContact CB-CG 4.07Å; C360-Q365 PolarHBondContact O-NE2 2.91Å | ||
| 361 | D | 67.6 | Low | 67.6 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | trans | -53.2 | 132 | 164.7 | -108.3 | -34.4 | 0 | 0 | 0 | 111.6 | R363 Q364 Q365 | D361-R363 PolarHBondContact O-N 3.39Å; D361-Q364 HydrophobicContact CB-CB 3.98Å; D361-Q364 HydrophobicContact CB-CG 3.74Å; D361-Q364 PolarHBondContact O-N 3.16Å; D361-Q365 WeakPolarHBondContact O-CG 3.41Å; D361-Q365 PolarHBondContact O-N 3.26Å | ||
| 362 | T | 66.9 | Low | 67.1 | Low | 96 Ų | 96 | 106.8 Ų | 106.8 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.3 | -36.4 | 172.2 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | Q364 Q365 Y366 | T362-Q364 VanDerWaalsContact C-N 3.31Å; T362-Q364 PolarHBondContact O-N 2.96Å; T362-Q365 WeakPolarHBondContact O-CB 3.44Å; T362-Q365 PolarHBondContact O-N 2.81Å; T362-Y366 PolarHBondContact O-N 2.97Å |
| 363 | R | 65.9 | Low | 67 | Low | 187 Ų | 187 | 105.3 Ų | 105.3 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -31.7 | 175 | -162.2 | 177.4 | -169.7 | -172.7 | 4.7 | 113.1 | D361 R367 | D361-R363 PolarHBondContact O-N 3.39Å; R363-R367 WeakPolarHBondContact O-CG 3.33Å; R363-R367 PolarHBondContact O-N 3.47Å |
| 364 | Q | 67.9 | Low | 66.6 | Low | 101 Ų | 101 | 105.5 Ų | 105.5 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -79.8 | -35.8 | 174.1 | -65.5 | -170.8 | 32 | 0 | 0 | 111.9 | D361 T362 R367 K368 | D361-Q364 HydrophobicContact CB-CB 3.98Å; D361-Q364 HydrophobicContact CB-CG 3.74Å; D361-Q364 PolarHBondContact O-N 3.16Å; T362-Q364 VanDerWaalsContact C-N 3.31Å; T362-Q364 PolarHBondContact O-N 2.96Å; Q364-R367 PolarHBondContact O-N 3.43Å; Q364-K368 WeakPolarHBondContact O-CG 3.15Å; Q364-K368 PolarHBondContact O-N 3.42Å |
| 365 | Q | 64.5 | Low | 66 | Low | 44 Ų | 44 | 103.3 Ų | 103.3 | 21% | 0.206 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 172.5 | -66.1 | 169 | -8.1 | 0 | 0 | 110.9 | C360 D361 T362 R367 K368 L369 | C360-Q365 HydrophobicContact CB-CG 4.07Å; C360-Q365 PolarHBondContact O-NE2 2.91Å; D361-Q365 WeakPolarHBondContact O-CG 3.41Å; D361-Q365 PolarHBondContact O-N 3.26Å; T362-Q365 WeakPolarHBondContact O-CB 3.44Å; T362-Q365 PolarHBondContact O-N 2.81Å; Q365-R367 VanDerWaalsContact C-N 3.32Å; Q365-R367 PolarHBondContact O-N 3.11Å; Q365-K368 PolarHBondContact O-N 3.08Å; Q365-K368 VanDerWaalsContact O-N 3.1Å; Q365-L369 PolarHBondContact O-N 3.07Å |
| 366 | Y | 64.2 | Low | 66 | Low | 175 Ų | 175 | 99.4 Ų | 99.4 | 69% | 0.686 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.3 | -40.1 | 174.8 | -97.3 | -82.9 | 0 | 0 | 0 | 112.7 | T362 L369 L370 | T362-Y366 PolarHBondContact O-N 2.97Å; Y366-L369 PolarHBondContact O-N 3Å; Y366-L370 WeakPolarHBondContact O-CB 3.34Å; Y366-L370 PolarHBondContact O-N 2.94Å |
| 367 | R | 71.4 | Confident | 66.4 | Low | 178 Ų | 178 | 99.4 Ų | 99.4 | 67% | 0.672 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -37.9 | 174.2 | -79.9 | 179.1 | 169.1 | -172.5 | -3.8 | 113.1 | R363 Q364 Q365 K371 | R363-R367 WeakPolarHBondContact O-CG 3.33Å; R363-R367 PolarHBondContact O-N 3.47Å; Q364-R367 PolarHBondContact O-N 3.43Å; Q365-R367 VanDerWaalsContact C-N 3.32Å; Q365-R367 PolarHBondContact O-N 3.11Å; R367-K371 VanDerWaalsContact O-CB 3.3Å; R367-K371 WeakPolarHBondContact O-CB 3.37Å; R367-K371 PolarHBondContact O-N 3.11Å |
| 368 | K | 72.9 | Confident | 66.6 | Low | 117 Ų | 117 | 95.6 Ų | 95.6 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 174.6 | -72.7 | 171.4 | -179 | 173.4 | 0 | 111.3 | Q364 Q365 K371 S372 | Q364-K368 WeakPolarHBondContact O-CG 3.15Å; Q364-K368 PolarHBondContact O-N 3.42Å; Q365-K368 PolarHBondContact O-N 3.08Å; Q365-K368 VanDerWaalsContact O-N 3.1Å; K368-K371 PolarHBondContact O-N 3.35Å; K368-S372 PolarHBondContact O-N 3.15Å |
| 369 | L | 66.1 | Low | 67.2 | Low | 37 Ų | 37 | 92.4 Ų | 92.4 | 19% | 0.194 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 177.3 | -176.7 | 64.4 | 0 | 0 | 0 | 111.1 | A349 L352 Q365 Y366 K371 S372 T373 | A349-L369 HydrophobicContact CB-CD1 4.2Å; A349-L369 HydrophobicContact CB-CD2 4.02Å; L352-L369 HydrophobicContact CD1-CD1 4.12Å; Q365-L369 PolarHBondContact O-N 3.07Å; Y366-L369 PolarHBondContact O-N 3Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 3.04Å; L369-S372 CarbonylContact O-C 3.6Å; L369-S372 WeakPolarHBondContact O-CA 3.43Å; L369-S372 WeakPolarHBondContact O-CB 3.47Å; L369-S372 PolarHBondContact O-N 2.94Å; L369-T373 PolarHBondContact O-N 2.96Å; L369-T373 PolarHBondContact O-OG1 3.39Å |
| 370 | L | 67.7 | Low | 67.8 | Low | 110 Ų | 110 | 81.5 Ų | 81.5 | 58% | 0.576 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59 | -41.9 | 177.6 | -178.7 | 63.2 | 0 | 0 | 0 | 112 | Y366 S372 T373 L374 | Y366-L370 WeakPolarHBondContact O-CB 3.34Å; Y366-L370 PolarHBondContact O-N 2.94Å; L370-S372 VanDerWaalsContact C-N 3.32Å; L370-S372 PolarHBondContact O-N 3.14Å; L370-T373 PolarHBondContact O-N 2.9Å; L370-L374 VanDerWaalsContact O-CB 3.25Å; L370-L374 WeakPolarHBondContact O-CB 3.3Å; L370-L374 PolarHBondContact O-N 2.93Å |
| 371 | K | 75.8 | Confident | 68.6 | Low | 157 Ų | 157 | 79.4 Ų | 79.4 | 68% | 0.683 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -39.6 | 174 | -175.5 | 175.2 | -179.9 | 178.3 | 0 | 111.8 | R367 K368 L369 V375 | R367-K371 VanDerWaalsContact O-CB 3.3Å; R367-K371 WeakPolarHBondContact O-CB 3.37Å; R367-K371 PolarHBondContact O-N 3.11Å; K368-K371 PolarHBondContact O-N 3.35Å; L369-K371 VanDerWaalsContact C-N 3.33Å; L369-K371 PolarHBondContact O-N 3.04Å; K371-V375 WeakPolarHBondContact O-CB 3.36Å; K371-V375 VanDerWaalsContact O-CG2 3.24Å; K371-V375 WeakPolarHBondContact O-CG2 3.47Å; K371-V375 PolarHBondContact O-N 3.29Å |
| 372 | S | 69.3 | Low | 68.8 | Low | 48 Ų | 48 | 75.3 Ų | 75.3 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 174.7 | -161 | 0 | 0 | 0 | 0 | 111.3 | K368 L369 L370 V375 L376 | K368-S372 PolarHBondContact O-N 3.15Å; L369-S372 CarbonylContact O-C 3.6Å; L369-S372 WeakPolarHBondContact O-CA 3.43Å; L369-S372 WeakPolarHBondContact O-CB 3.47Å; L369-S372 PolarHBondContact O-N 2.94Å; L370-S372 VanDerWaalsContact C-N 3.32Å; L370-S372 PolarHBondContact O-N 3.14Å; S372-V375 PolarHBondContact O-N 3.5Å; S372-L376 VanDerWaalsContact O-CB 3.23Å; S372-L376 WeakPolarHBondContact O-CB 3.47Å; S372-L376 PolarHBondContact O-N 3.39Å |
| 373 | T | 70.1 | Confident | 69.3 | Low | 35 Ų | 35 | 70.9 Ų | 70.9 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | -179.4 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | F341 I345 L369 L370 V375 L376 M377 | F341-T373 HydrophobicContact CZ-CG2 4.29Å; I345-T373 HydrophobicContact CD1-CG2 3.65Å; L369-T373 PolarHBondContact O-N 2.96Å; L369-T373 PolarHBondContact O-OG1 3.39Å; L370-T373 PolarHBondContact O-N 2.9Å; T373-V375 VanDerWaalsContact C-N 3.32Å; T373-V375 PolarHBondContact O-N 2.9Å; T373-L376 CarbonylContact O-C 3.58Å; T373-L376 PolarHBondContact O-N 3.09Å; T373-L376 VanDerWaalsContact O-N 3.08Å; T373-M377 WeakPolarHBondContact O-CB 3.49Å; T373-M377 PolarHBondContact O-N 3.43Å |
| 374 | L | 67.4 | Low | 69.6 | Low | 117 Ų | 117 | 62.8 Ų | 62.8 | 61% | 0.613 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.3 | -32.7 | 179.9 | -166.7 | 154.3 | 0 | 0 | 0 | 111.8 | L370 L376 P378 | L370-L374 VanDerWaalsContact O-CB 3.25Å; L370-L374 WeakPolarHBondContact O-CB 3.3Å; L370-L374 PolarHBondContact O-N 2.93Å; L374-L376 VanDerWaalsContact C-N 3.34Å; L374-P378 WeakPolarHBondContact O-CD 3.33Å |
| 375 | V | 68.4 | Low | 69.8 | Low | 59 Ų | 59 | 59.7 Ų | 59.7 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.4 | -30.6 | 170.2 | 167.4 | 0 | 0 | 0 | 0 | 112 | K371 S372 T373 I421 | K371-V375 WeakPolarHBondContact O-CB 3.36Å; K371-V375 VanDerWaalsContact O-CG2 3.24Å; K371-V375 WeakPolarHBondContact O-CG2 3.47Å; K371-V375 PolarHBondContact O-N 3.29Å; S372-V375 PolarHBondContact O-N 3.5Å; T373-V375 VanDerWaalsContact C-N 3.32Å; T373-V375 PolarHBondContact O-N 2.9Å; V375-I421 HydrophobicContact CG1-CD1 3.68Å; V375-I421 HydrophobicContact CG1-CG1 3.86Å; V375-I421 HydrophobicContact CG1-CG2 4.01Å |
| 376 | L | 69.4 | Low | 70.2 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -88.7 | -23.3 | -173.9 | -163 | 64 | 0 | 0 | 0 | 113.7 | F341 I345 S372 T373 L374 L379 F380 | F341-L376 HydrophobicContact CD2-CD2 4.21Å; F341-L376 HydrophobicContact CD2-CG 4.26Å; F341-L376 HydrophobicContact CE2-CB 4.2Å; F341-L376 HydrophobicContact CE2-CD2 4.04Å; F341-L376 HydrophobicContact CE2-CG 3.98Å; I345-L376 HydrophobicContact CG1-CD2 4.33Å; S372-L376 VanDerWaalsContact O-CB 3.23Å; S372-L376 WeakPolarHBondContact O-CB 3.47Å; S372-L376 PolarHBondContact O-N 3.39Å; T373-L376 CarbonylContact O-C 3.58Å; T373-L376 PolarHBondContact O-N 3.09Å; T373-L376 VanDerWaalsContact O-N 3.08Å; L374-L376 VanDerWaalsContact C-N 3.34Å; L376-L379 WeakPolarHBondContact O-CB 3.34Å; L376-L379 PolarHBondContact O-N 3.35Å; L376-F380 HydrophobicContact CD1-CD2 3.92Å; L376-F380 HydrophobicContact CD1-CE2 3.44Å; L376-F380 VanDerWaalsContact CD1-CE2 3.44Å; L376-F380 HydrophobicContact CD1-CZ 4.11Å; L376-F380 HydrophobicContact CD2-CD2 4.41Å; L376-F380 HydrophobicContact CD2-CE2 3.93Å; L376-F380 HydrophobicContact CG-CD2 3.71Å; L376-F380 HydrophobicContact CG-CE2 3.53Å; L376-F380 PolarHBondContact O-N 3.01Å |
| 377 | M | 71.6 | Confident | 70.3 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -51.2 | -179.6 | 161.6 | -173.7 | 172.2 | 0 | 0 | 113.7 | F341 T373 L379 G381 V382 H383 I386 | F341-M377 HydrophobicContact CZ-CB 4.46Å; T373-M377 WeakPolarHBondContact O-CB 3.49Å; T373-M377 PolarHBondContact O-N 3.43Å; M377-L379 PolarHBondContact O-N 2.78Å; M377-G381 PolarHBondContact O-N 2.87Å; M377-V382 HydrophobicContact CG-CB 4.1Å; M377-V382 HydrophobicContact CG-CG1 4.42Å; M377-V382 PolarHBondContact O-N 2.94Å; M377-V382 VanDerWaalsContact O-N 3.08Å; M377-H383 HydrophobicContact CE-CB 4.2Å; M377-I386 HydrophobicContact CE-CD1 4.2Å |
| 378 | P | 63.6 | Low | 70.1 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.7 | 175.7 | -19.6 | 32.3 | 0 | 0 | 0 | 112.4 | L374 G381 Q414 L417 | L374-P378 WeakPolarHBondContact O-CD 3.33Å; P378-G381 PolarHBondContact O-N 3.4Å; P378-Q414 WeakPolarHBondContact O-CG 3.18Å; P378-Q414 PolarHBondContact O-NE2 2.73Å; P378-L417 HydrophobicContact CB-CD1 4.16Å; P378-L417 HydrophobicContact CG-CD1 4.45Å |
| 379 | L | 68.4 | Low | 69.6 | Low | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -47.3 | -174.5 | -165.6 | 150 | 0 | 0 | 0 | 111.3 | E265 L376 M377 G381 V418 I421 Y422 | E265-L379 WeakPolarHBondContact OE2-CD2 3Å; L376-L379 WeakPolarHBondContact O-CB 3.34Å; L376-L379 PolarHBondContact O-N 3.35Å; M377-L379 PolarHBondContact O-N 2.78Å; L379-G381 VanDerWaalsContact C-N 3.29Å; L379-G381 PolarHBondContact O-N 3.34Å; L379-V418 HydrophobicContact CG-CG2 4.19Å; L379-I421 HydrophobicContact CD1-CD1 4.22Å; L379-I421 HydrophobicContact CD1-CG2 4.02Å; L379-Y422 HydrophobicContact CD1-CD2 4.39Å; L379-Y422 HydrophobicContact CD1-CE1 4.11Å; L379-Y422 HydrophobicContact CD1-CE2 3.69Å; L379-Y422 HydrophobicContact CD2-CE2 3.98Å; L379-Y422 VanDerWaalsContact CD2-OH 3.31Å; L379-Y422 WeakPolarHBondContact CD2-OH 3.25Å; L379-Y422 HydrophobicContact CG-CE2 4.12Å |
| 380 | F | 70.1 | Confident | 69.5 | Low | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 5.1 | 175.1 | -69.7 | -50 | 0 | 0 | 0 | 114.7 | G266 L269 N337 F341 I344 L376 V382 | G266-F380 VanDerWaalsContact CA-CE1 3.5Å; L269-F380 HydrophobicContact CD1-CZ 4.4Å; N337-F380 WeakPolarHBondContact ND2-CB 3.48Å; N337-F380 PolarHBondContact ND2-O 2.87Å; F341-F380 HydrophobicContact CB-CD2 4.23Å; F341-F380 AromaticContact CD2-CD2 3.51Å; F341-F380 HydrophobicContact CD2-CD2 3.51Å; F341-F380 HydrophobicContact CD2-CE2 4.08Å; F341-F380 HydrophobicContact CE2-CD2 4.23Å; F341-F380 HydrophobicContact CG-CD2 4.28Å; I344-F380 HydrophobicContact CD1-CE2 4.28Å; I344-F380 HydrophobicContact CD1-CZ 4.08Å; L376-F380 HydrophobicContact CD1-CD2 3.92Å; L376-F380 HydrophobicContact CD1-CE2 3.44Å; L376-F380 VanDerWaalsContact CD1-CE2 3.44Å; L376-F380 HydrophobicContact CD1-CZ 4.11Å; L376-F380 HydrophobicContact CD2-CD2 4.41Å; L376-F380 HydrophobicContact CD2-CE2 3.93Å; L376-F380 HydrophobicContact CG-CD2 3.71Å; L376-F380 HydrophobicContact CG-CE2 3.53Å; L376-F380 PolarHBondContact O-N 3.01Å; F380-V382 VanDerWaalsContact C-N 3.28Å; F380-V382 HydrophobicContact CB-CG2 4.07Å; F380-V382 PolarHBondContact O-N 3.17Å |
| 381 | G | 70.6 | Confident | 69.1 | Low | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 28.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M377 P378 L379 H383 Y384 | M377-G381 PolarHBondContact O-N 2.87Å; P378-G381 PolarHBondContact O-N 3.4Å; L379-G381 VanDerWaalsContact C-N 3.29Å; L379-G381 PolarHBondContact O-N 3.34Å; G381-H383 PolarHBondContact O-N 3.42Å; G381-H383 VanDerWaalsContact O-N 3.14Å; G381-Y384 WeakPolarHBondContact O-CB 3.45Å; G381-Y384 VanDerWaalsContact O-CD2 3.22Å; G381-Y384 WeakPolarHBondContact O-CD2 3.29Å; G381-Y384 PolarHBondContact O-N 3.48Å |
| 382 | V | 72.3 | Confident | 68.3 | Low | 14 Ų | 14 | 50.5 Ų | 50.5 | 9% | 0.085 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -24.9 | -177.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | F338 F341 M377 F380 Y384 I385 | F338-V382 HydrophobicContact CD2-CG1 3.79Å; F338-V382 HydrophobicContact CD2-CG2 4.29Å; F338-V382 HydrophobicContact CE2-CG1 3.82Å; F341-V382 HydrophobicContact CB-CG2 4.38Å; F341-V382 HydrophobicContact CD1-CG1 4.34Å; F341-V382 HydrophobicContact CD1-CG2 3.55Å; F341-V382 HydrophobicContact CD2-CG2 4.16Å; F341-V382 HydrophobicContact CE1-CB 4.34Å; F341-V382 HydrophobicContact CE1-CG1 3.94Å; F341-V382 HydrophobicContact CE1-CG2 3.63Å; F341-V382 HydrophobicContact CE2-CG2 4.18Å; F341-V382 HydrophobicContact CG-CG2 3.8Å; F341-V382 HydrophobicContact CZ-CG2 3.92Å; M377-V382 HydrophobicContact CG-CB 4.1Å; M377-V382 HydrophobicContact CG-CG1 4.42Å; M377-V382 PolarHBondContact O-N 2.94Å; M377-V382 VanDerWaalsContact O-N 3.08Å; F380-V382 VanDerWaalsContact C-N 3.28Å; F380-V382 HydrophobicContact CB-CG2 4.07Å; F380-V382 PolarHBondContact O-N 3.17Å; V382-Y384 VanDerWaalsContact C-N 3.31Å; V382-Y384 PolarHBondContact O-N 3.27Å; V382-I385 PolarHBondContact O-N 3.03Å |
| 383 | H | 77.3 | Confident | 67.7 | Low | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -32 | 175.2 | 67 | -81.2 | 0 | 0 | 0 | 113.4 | M377 G381 I385 I386 F387 Y406 N411 | M377-H383 HydrophobicContact CE-CB 4.2Å; G381-H383 PolarHBondContact O-N 3.42Å; G381-H383 VanDerWaalsContact O-N 3.14Å; H383-I385 VanDerWaalsContact C-N 3.26Å; H383-I385 PolarHBondContact O-N 3.3Å; H383-I386 PolarHBondContact O-N 2.95Å; H383-F387 WeakPolarHBondContact O-CD2 3.42Å; H383-Y406 HydrophobicContact CB-CE1 4.01Å; H383-N411 PolarHBondContact NE2-OD1 3.32Å |
| 384 | Y | 73.7 | Confident | 67.1 | Low | 17 Ų | 17 | 56.3 Ų | 56.3 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.8 | -33.5 | -179.6 | -67.7 | -76.4 | 0 | 0 | 0 | 112.7 | R199 Y259 G381 V382 H388 N411 Q414 | R199-Y384 PolarHBondContact NH1-OH 2.91Å; R199-Y384 VanDerWaalsContact NH1-OH 3.11Å; R199-Y384 PolarHBondContact NH2-OH 2.97Å; Y259-Y384 HydrophobicContact CD1-CE2 4.45Å; Y259-Y384 HydrophobicContact CE1-CD1 4.05Å; Y259-Y384 AromaticContact CE1-CD2 3.82Å; Y259-Y384 HydrophobicContact CE1-CD2 3.82Å; Y259-Y384 AromaticContact CE1-CE1 3.79Å; Y259-Y384 HydrophobicContact CE1-CE1 3.79Å; Y259-Y384 AromaticContact CE1-CE2 3.63Å; Y259-Y384 HydrophobicContact CE1-CE2 3.63Å; Y259-Y384 HydrophobicContact CE1-CG 4.07Å; Y259-Y384 AromaticContact CE1-CZ 3.61Å; Y259-Y384 AromaticContact CZ-CE1 3.85Å; Y259-Y384 AromaticContact CZ-CZ 3.98Å; Y259-Y384 WeakPolarHBondContact OH-CE1 3.42Å; G381-Y384 WeakPolarHBondContact O-CB 3.45Å; G381-Y384 VanDerWaalsContact O-CD2 3.22Å; G381-Y384 WeakPolarHBondContact O-CD2 3.29Å; G381-Y384 PolarHBondContact O-N 3.48Å; V382-Y384 VanDerWaalsContact C-N 3.31Å; V382-Y384 PolarHBondContact O-N 3.27Å; Y384-H388 WeakPolarHBondContact O-CB 3.42Å; Y384-H388 PolarHBondContact O-N 3.23Å; Y384-N411 VanDerWaalsContact CE1-CG 3.4Å; Y384-N411 WeakPolarHBondContact CE1-ND2 3.38Å; Y384-N411 WeakPolarHBondContact CE1-OD1 3.32Å; Y384-N411 PolarHBondContact OH-OD1 3.37Å; Y384-Q414 PolarHBondContact OH-OE1 3.44Å |
| 385 | I | 72.2 | Confident | 66.6 | Low | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.6 | -36.4 | -179.8 | -65 | -175.2 | 0 | 0 | 0 | 112.1 | V334 V335 F338 V382 H383 F387 H388 A389 | V334-I385 HydrophobicContact CG1-CD1 3.94Å; V334-I385 HydrophobicContact CG1-CG1 3.47Å; V334-I385 VanDerWaalsContact CG1-CG1 3.47Å; V335-I385 HydrophobicContact CG2-CD1 4.47Å; F338-I385 HydrophobicContact CB-CD1 3.28Å; F338-I385 HydrophobicContact CD1-CD1 3.96Å; F338-I385 HydrophobicContact CD2-CD1 4.28Å; F338-I385 HydrophobicContact CG-CD1 3.61Å; V382-I385 PolarHBondContact O-N 3.03Å; H383-I385 VanDerWaalsContact C-N 3.26Å; H383-I385 PolarHBondContact O-N 3.3Å; I385-F387 PolarHBondContact O-N 2.99Å; I385-H388 PolarHBondContact O-N 3.48Å; I385-A389 WeakPolarHBondContact O-CB 3.37Å; I385-A389 PolarHBondContact O-N 2.97Å |
| 386 | I | 71.3 | Confident | 66.1 | Low | 93 Ų | 93 | 56.6 Ų | 56.6 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | -176.6 | -59.4 | 175.8 | 0 | 0 | 0 | 110.3 | M377 H383 | M377-I386 HydrophobicContact CE-CD1 4.2Å; H383-I386 PolarHBondContact O-N 2.95Å |
| 387 | F | 67.2 | Low | 66.2 | Low | 30 Ų | 30 | 56.4 Ų | 56.4 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -93.9 | -30.4 | -178.9 | -64.3 | -82.3 | 0 | 0 | 0 | 113.4 | H383 I385 A389 M390 Q403 Y406 E407 | H383-F387 WeakPolarHBondContact O-CD2 3.42Å; I385-F387 PolarHBondContact O-N 2.99Å; F387-A389 PolarHBondContact O-N 3.34Å; F387-M390 VanDerWaalsContact O-CB 3.31Å; F387-M390 WeakPolarHBondContact O-CB 3.49Å; F387-M390 PolarHBondContact O-N 3.13Å; F387-Q403 HydrophobicContact CB-CG 4.03Å; F387-Q403 HydrophobicContact CD1-CB 3.97Å; F387-Q403 HydrophobicContact CD1-CG 3.75Å; F387-Q403 HydrophobicContact CG-CG 4.22Å; F387-Q403 PolarHBondContact O-NE2 3.21Å; F387-Y406 AromaticContact CD2-CD1 3.84Å; F387-Y406 HydrophobicContact CD2-CD1 3.84Å; F387-Y406 HydrophobicContact CD2-CE1 4.01Å; F387-Y406 HydrophobicContact CE1-CD1 4.43Å; F387-Y406 HydrophobicContact CE1-CG 4.3Å; F387-Y406 AromaticContact CE2-CD1 3.22Å; F387-Y406 HydrophobicContact CE2-CD1 3.22Å; F387-Y406 HydrophobicContact CE2-CD2 4.2Å; F387-Y406 AromaticContact CE2-CE1 3.28Å; F387-Y406 HydrophobicContact CE2-CE1 3.28Å; F387-Y406 HydrophobicContact CE2-CE2 4.21Å; F387-Y406 AromaticContact CE2-CG 3.73Å; F387-Y406 HydrophobicContact CE2-CG 3.73Å; F387-Y406 AromaticContact CE2-CZ 3.78Å; F387-Y406 AromaticContact CZ-CD1 3.56Å; F387-Y406 HydrophobicContact CZ-CD1 3.56Å; F387-Y406 AromaticContact CZ-CD2 3.86Å; F387-Y406 HydrophobicContact CZ-CD2 3.86Å; F387-Y406 AromaticContact CZ-CE1 3.95Å; F387-Y406 HydrophobicContact CZ-CE1 3.95Å; F387-Y406 HydrophobicContact CZ-CE2 4.19Å; F387-Y406 AromaticContact CZ-CG 3.53Å; F387-Y406 HydrophobicContact CZ-CG 3.53Å; F387-E407 HydrophobicContact CB-CG 4.37Å; F387-E407 WeakPolarHBondContact CB-OE1 3.4Å; F387-E407 HydrophobicContact CG-CG 4.49Å |
| 388 | H | 67.1 | Low | 66.4 | Low | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.4 | -16.4 | 170.4 | -159.9 | -49.1 | 0 | 0 | 0 | 112.7 | Q327 Y384 I385 M390 | Q327-H388 PolarHBondContact NE2-NE2 2.93Å; Y384-H388 WeakPolarHBondContact O-CB 3.42Å; Y384-H388 PolarHBondContact O-N 3.23Å; I385-H388 PolarHBondContact O-N 3.48Å; H388-M390 VanDerWaalsContact C-N 3.3Å |
| 389 | A | 62.4 | Low | 67.2 | Low | 78 Ų | 78 | 61.8 Ų | 61.8 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I385 F387 | I385-A389 WeakPolarHBondContact O-CB 3.37Å; I385-A389 PolarHBondContact O-N 2.97Å; F387-A389 PolarHBondContact O-N 3.34Å |
| 390 | M | 63.3 | Low | 67.8 | Low | 83 Ų | 83 | 63.8 Ų | 63.8 | 41% | 0.409 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -81 | 130.6 | 171.2 | -60.7 | -84.5 | -75.8 | 0 | 0 | 108.7 | F387 H388 P399 | F387-M390 VanDerWaalsContact O-CB 3.31Å; F387-M390 WeakPolarHBondContact O-CB 3.49Å; F387-M390 PolarHBondContact O-N 3.13Å; H388-M390 VanDerWaalsContact C-N 3.3Å; M390-P399 HydrophobicContact CE-CB 4.06Å |
| 391 | P | 60.6 | Low | 68.5 | Low | 98 Ų | 98 | 66.4 Ų | 66.4 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | trans | -66.7 | 153.5 | 170 | 30.1 | -34.5 | 0 | 0 | 0 | 110.1 | T393 | P391-T393 PolarHBondContact O-N 2.73Š| ||
| 392 | Y | 57.9 | Low | 69.1 | Low | 168 Ų | 168 | 71.2 Ų | 71.2 | 66% | 0.659 | 39% | 0.387 | S | S | * | . | trans | -59.2 | 105.6 | 171.1 | -66.3 | -81.9 | 0 | 0 | 0 | 109.5 | Q327 | Q327-Y392 PolarHBondContact NE2-OH 3.19Š| ||
| 393 | T | 56.5 | Low | 69.7 | Low | 52 Ų | 52 | 71.7 Ų | 71.7 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | trans | -82.5 | 164.9 | 169.8 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | P391 P399 | P391-T393 PolarHBondContact O-N 2.73Å; T393-P399 HydrophobicContact CG2-CB 4.22Å; T393-P399 HydrophobicContact CG2-CG 4.49Å | ||
| 394 | E | 57.9 | Low | 70 | Confident | 154 Ų | 154 | 73.2 Ų | 73.2 | 72% | 0.72 | 40% | 0.395 | S | S | * | . | trans | -39.2 | 137.4 | 169.5 | -57.6 | -57.3 | 156.2 | 0 | 0 | 112.9 | S396 G397 | E394-S396 PolarHBondContact O-N 2.76Å; E394-S396 VanDerWaalsContact O-N 3.13Å; E394-G397 PolarHBondContact O-N 3.02Å | ||
| 395 | V | 57.1 | Low | 70.7 | Confident | 83 Ų | 83 | 75 Ų | 75 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.4 | -169.2 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | W400 | V395-W400 HydrophobicContact CG1-CZ2 4.5Å; V395-W400 WeakPolarHBondContact O-CZ3 3.48Å |
| 396 | S | 57.1 | Low | 71.4 | Confident | 99 Ų | 99 | 76 Ų | 76 | 69% | 0.692 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 2.6 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | E394 | E394-S396 PolarHBondContact O-N 2.76Å; E394-S396 VanDerWaalsContact O-N 3.13Å |
| 397 | G | 71.6 | Confident | 72.1 | Confident | 18 Ų | 18 | 73.3 Ų | 73.3 | 19% | 0.186 | 39% | 0.392 | C | S | . | . | trans | -69.3 | 142.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E394 P399 W400 L401 | E394-G397 PolarHBondContact O-N 3.02Å; G397-P399 VanDerWaalsContact C-N 3.28Å; G397-W400 WeakPolarHBondContact O-CB 3.41Å; G397-W400 PolarHBondContact O-N 3.07Å; G397-W400 VanDerWaalsContact O-N 3.08Å; G397-L401 PolarHBondContact O-N 2.81Å | ||
| 398 | I | 77.3 | Confident | 73.1 | Confident | 126 Ų | 126 | 74.6 Ų | 74.6 | 65% | 0.646 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -50.2 | -40.4 | 172.3 | -60 | 174.6 | 0 | 0 | 0 | 112.7 | L401 I402 | I398-L401 PolarHBondContact O-N 2.99Å; I398-I402 HydrophobicContact CG2-CD1 3.77Å; I398-I402 HydrophobicContact CG2-CG1 4.42Å; I398-I402 WeakPolarHBondContact O-CG1 3.5Å; I398-I402 PolarHBondContact O-N 3.04Å |
| 399 | P | 78.5 | Confident | 74.2 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 37% | 0.37 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.5 | -23.7 | 35.6 | 0 | 0 | 0 | 113.3 | M390 T393 G397 L401 I402 Q403 | M390-P399 HydrophobicContact CE-CB 4.06Å; T393-P399 HydrophobicContact CG2-CB 4.22Å; T393-P399 HydrophobicContact CG2-CG 4.49Å; G397-P399 VanDerWaalsContact C-N 3.28Å; P399-L401 VanDerWaalsContact C-N 3.34Å; P399-L401 PolarHBondContact O-N 3.44Å; P399-I402 PolarHBondContact O-N 3.28Å; P399-Q403 WeakPolarHBondContact O-CB 3.09Å; P399-Q403 PolarHBondContact O-N 2.96Å |
| 400 | W | 82.7 | Confident | 75.4 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 176.4 | 179.5 | 95 | 0 | 0 | 0 | 111.5 | V149 F150 L153 V395 G397 I402 Q403 M404 | V149-W400 HydrophobicContact CG1-CH2 4.38Å; V149-W400 HydrophobicContact CG1-CZ3 3.92Å; F150-W400 AromaticContact CE1-CH2 3.83Å; F150-W400 HydrophobicContact CE1-CH2 3.83Å; F150-W400 HydrophobicContact CE1-CZ2 4.2Å; F150-W400 HydrophobicContact CZ-CH2 4.03Å; F150-W400 HydrophobicContact CZ-CZ2 4.45Å; L153-W400 HydrophobicContact CD1-CH2 4.47Å; V395-W400 HydrophobicContact CG1-CZ2 4.5Å; V395-W400 WeakPolarHBondContact O-CZ3 3.48Å; G397-W400 WeakPolarHBondContact O-CB 3.41Å; G397-W400 PolarHBondContact O-N 3.07Å; G397-W400 VanDerWaalsContact O-N 3.08Å; W400-I402 PolarHBondContact O-N 3.49Å; W400-Q403 PolarHBondContact O-N 3.44Å; W400-M404 HydrophobicContact CD2-CG 3.88Å; W400-M404 HydrophobicContact CE3-CG 4.34Å; W400-M404 HydrophobicContact CG-CG 4.39Å; W400-M404 HydrophobicContact CH2-CG 4.23Å; W400-M404 HydrophobicContact CZ2-CG 3.74Å; W400-M404 WeakPolarHBondContact O-CB 3.36Å; W400-M404 WeakPolarHBondContact O-CG 3.49Å; W400-M404 PolarHBondContact O-N 3.23Å |
| 401 | L | 83 | Confident | 76.6 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 178.9 | -172.9 | 70.6 | 0 | 0 | 0 | 111.7 | V149 G397 I398 P399 H405 | V149-L401 HydrophobicContact CB-CD1 4.34Å; V149-L401 HydrophobicContact CG1-CD1 3.54Å; V149-L401 HydrophobicContact CG2-CD1 3.74Å; G397-L401 PolarHBondContact O-N 2.81Å; I398-L401 PolarHBondContact O-N 2.99Å; P399-L401 VanDerWaalsContact C-N 3.34Å; P399-L401 PolarHBondContact O-N 3.44Å; L401-H405 WeakPolarHBondContact O-CB 3.41Å; L401-H405 PolarHBondContact O-N 3.35Å; L401-H405 VanDerWaalsContact O-N 3.11Å; L401-H405 PolarHBondContact O-ND1 2.94Å |
| 402 | I | 84.4 | Confident | 78.2 | Confident | 105 Ų | 105 | 66.1 Ų | 66.1 | 54% | 0.538 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.3 | -69 | 168.5 | 0 | 0 | 0 | 110.6 | I398 P399 W400 Y406 | I398-I402 HydrophobicContact CG2-CD1 3.77Å; I398-I402 HydrophobicContact CG2-CG1 4.42Å; I398-I402 WeakPolarHBondContact O-CG1 3.5Å; I398-I402 PolarHBondContact O-N 3.04Å; P399-I402 PolarHBondContact O-N 3.28Å; W400-I402 PolarHBondContact O-N 3.49Å; I402-Y406 WeakPolarHBondContact O-CB 3.5Å; I402-Y406 PolarHBondContact O-N 3.1Å |
| 403 | Q | 83.6 | Confident | 79.8 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -52 | 178.6 | 174 | 166.6 | -3.6 | 0 | 0 | 111.6 | F387 P399 W400 H405 Y406 E407 | F387-Q403 HydrophobicContact CB-CG 4.03Å; F387-Q403 HydrophobicContact CD1-CB 3.97Å; F387-Q403 HydrophobicContact CD1-CG 3.75Å; F387-Q403 HydrophobicContact CG-CG 4.22Å; F387-Q403 PolarHBondContact O-NE2 3.21Å; P399-Q403 WeakPolarHBondContact O-CB 3.09Å; P399-Q403 PolarHBondContact O-N 2.96Å; W400-Q403 PolarHBondContact O-N 3.44Å; Q403-H405 PolarHBondContact O-N 3.36Å; Q403-Y406 PolarHBondContact O-N 3.32Å; Q403-E407 HydrophobicContact CG-CG 4.36Å; Q403-E407 WeakPolarHBondContact CG-OE1 2.92Å; Q403-E407 PolarHBondContact NE2-OE1 3.32Å; Q403-E407 WeakPolarHBondContact O-CB 3.43Å; Q403-E407 WeakPolarHBondContact O-CG 3.41Å; Q403-E407 PolarHBondContact O-N 2.92Å |
| 404 | M | 84.9 | Confident | 81.4 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 16% | 0.163 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | -179.5 | -71.1 | -65.4 | 99.7 | 0 | 0 | 112.7 | L153 W400 M408 | L153-M404 HydrophobicContact CD1-CB 3.98Å; L153-M404 HydrophobicContact CD2-CB 4.11Å; W400-M404 HydrophobicContact CD2-CG 3.88Å; W400-M404 HydrophobicContact CE3-CG 4.34Å; W400-M404 HydrophobicContact CG-CG 4.39Å; W400-M404 HydrophobicContact CH2-CG 4.23Å; W400-M404 HydrophobicContact CZ2-CG 3.74Å; W400-M404 WeakPolarHBondContact O-CB 3.36Å; W400-M404 WeakPolarHBondContact O-CG 3.49Å; W400-M404 PolarHBondContact O-N 3.23Å; M404-M408 VanDerWaalsContact O-CB 3.32Å; M404-M408 WeakPolarHBondContact O-CB 3.36Å; M404-M408 VanDerWaalsContact O-CG 3.24Å; M404-M408 WeakPolarHBondContact O-CG 3.28Å; M404-M408 PolarHBondContact O-N 3.44Å; M404-M408 HydrophobicContact SD-CE 4.45Å |
| 405 | H | 88.3 | Confident | 83.1 | Confident | 54 Ų | 54 | 51 Ų | 51 | 25% | 0.25 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 174.9 | -78.4 | 78.8 | 0 | 0 | 0 | 112.1 | L153 L401 Q403 L409 | L153-H405 HydrophobicContact CD2-CB 4.48Å; L401-H405 WeakPolarHBondContact O-CB 3.41Å; L401-H405 PolarHBondContact O-N 3.35Å; L401-H405 VanDerWaalsContact O-N 3.11Å; L401-H405 PolarHBondContact O-ND1 2.94Å; Q403-H405 PolarHBondContact O-N 3.36Å; H405-L409 WeakPolarHBondContact O-CB 3.3Å; H405-L409 PolarHBondContact O-N 2.89Å |
| 406 | Y | 87 | Confident | 84.9 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -51.2 | 175.9 | -175.9 | -75.8 | 0 | 0 | 0 | 111.2 | H383 F387 I402 Q403 L409 F410 | H383-Y406 HydrophobicContact CB-CE1 4.01Å; F387-Y406 AromaticContact CD2-CD1 3.84Å; F387-Y406 HydrophobicContact CD2-CD1 3.84Å; F387-Y406 HydrophobicContact CD2-CE1 4.01Å; F387-Y406 HydrophobicContact CE1-CD1 4.43Å; F387-Y406 HydrophobicContact CE1-CG 4.3Å; F387-Y406 AromaticContact CE2-CD1 3.22Å; F387-Y406 HydrophobicContact CE2-CD1 3.22Å; F387-Y406 HydrophobicContact CE2-CD2 4.2Å; F387-Y406 AromaticContact CE2-CE1 3.28Å; F387-Y406 HydrophobicContact CE2-CE1 3.28Å; F387-Y406 HydrophobicContact CE2-CE2 4.21Å; F387-Y406 AromaticContact CE2-CG 3.73Å; F387-Y406 HydrophobicContact CE2-CG 3.73Å; F387-Y406 AromaticContact CE2-CZ 3.78Å; F387-Y406 AromaticContact CZ-CD1 3.56Å; F387-Y406 HydrophobicContact CZ-CD1 3.56Å; F387-Y406 AromaticContact CZ-CD2 3.86Å; F387-Y406 HydrophobicContact CZ-CD2 3.86Å; F387-Y406 AromaticContact CZ-CE1 3.95Å; F387-Y406 HydrophobicContact CZ-CE1 3.95Å; F387-Y406 HydrophobicContact CZ-CE2 4.19Å; F387-Y406 AromaticContact CZ-CG 3.53Å; F387-Y406 HydrophobicContact CZ-CG 3.53Å; I402-Y406 WeakPolarHBondContact O-CB 3.5Å; I402-Y406 PolarHBondContact O-N 3.1Å; Q403-Y406 PolarHBondContact O-N 3.32Å; Y406-L409 PolarHBondContact O-N 2.99Å; Y406-F410 HydrophobicContact CD1-CB 4.48Å; Y406-F410 AromaticContact CD1-CD2 3.82Å; Y406-F410 HydrophobicContact CD1-CD2 3.82Å; Y406-F410 HydrophobicContact CD1-CE2 4.48Å; Y406-F410 HydrophobicContact CD1-CG 4.36Å; Y406-F410 AromaticContact CD2-CD2 3.91Å; Y406-F410 HydrophobicContact CD2-CD2 3.91Å; Y406-F410 AromaticContact CD2-CE2 3.81Å; Y406-F410 HydrophobicContact CD2-CE2 3.81Å; Y406-F410 HydrophobicContact CE1-CB 4.09Å; Y406-F410 HydrophobicContact CE1-CD1 4.5Å; Y406-F410 AromaticContact CE1-CD2 3.47Å; Y406-F410 HydrophobicContact CE1-CD2 3.47Å; Y406-F410 VanDerWaalsContact CE1-CD2 3.47Å; Y406-F410 HydrophobicContact CE1-CE2 4.02Å; Y406-F410 AromaticContact CE1-CG 3.75Å; Y406-F410 HydrophobicContact CE1-CG 3.75Å; Y406-F410 AromaticContact CE2-CD2 3.62Å; Y406-F410 HydrophobicContact CE2-CD2 3.62Å; Y406-F410 AromaticContact CE2-CE2 3.3Å; Y406-F410 HydrophobicContact CE2-CE2 3.3Å; Y406-F410 AromaticContact CE2-CZ 3.98Å; Y406-F410 HydrophobicContact CE2-CZ 3.98Å; Y406-F410 HydrophobicContact CG-CD2 4Å; Y406-F410 HydrophobicContact CG-CE2 4.37Å; Y406-F410 AromaticContact CZ-CD2 3.39Å; Y406-F410 AromaticContact CZ-CE2 3.42Å; Y406-F410 VanDerWaalsContact CZ-CE2 3.42Å; Y406-F410 AromaticContact CZ-CG 3.86Å; Y406-F410 AromaticContact CZ-CZ 3.91Å; Y406-F410 WeakPolarHBondContact O-CD2 3.39Å; Y406-F410 PolarHBondContact O-N 3.07Å |
| 407 | E | 85.6 | Confident | 86.5 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -51.1 | -178.3 | -76.3 | -174.2 | -149.7 | 0 | 0 | 111.3 | F387 Q403 L409 F410 N411 | F387-E407 HydrophobicContact CB-CG 4.37Å; F387-E407 WeakPolarHBondContact CB-OE1 3.4Å; F387-E407 HydrophobicContact CG-CG 4.49Å; Q403-E407 HydrophobicContact CG-CG 4.36Å; Q403-E407 WeakPolarHBondContact CG-OE1 2.92Å; Q403-E407 PolarHBondContact NE2-OE1 3.32Å; Q403-E407 WeakPolarHBondContact O-CB 3.43Å; Q403-E407 WeakPolarHBondContact O-CG 3.41Å; Q403-E407 PolarHBondContact O-N 2.92Å; E407-L409 VanDerWaalsContact C-N 3.27Å; E407-L409 PolarHBondContact O-N 3.02Å; E407-F410 PolarHBondContact O-N 3.46Å; E407-N411 WeakPolarHBondContact O-CB 3Å; E407-N411 PolarHBondContact O-N 3.27Å; E407-N411 PolarHBondContact O-ND2 3.28Å; E407-N411 PolarHBondContact O-OD1 3.23Å |
| 408 | M | 89.2 | Confident | 87.5 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 28% | 0.281 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.8 | -34.8 | -179.2 | -66.2 | -59.3 | 168.5 | 0 | 0 | 112.4 | L153 I156 Y157 M404 S412 | L153-M408 HydrophobicContact CD2-CB 4.29Å; L153-M408 HydrophobicContact CD2-CG 4.09Å; I156-M408 HydrophobicContact CG2-CB 4.47Å; Y157-M408 HydrophobicContact CD1-SD 4.01Å; M404-M408 VanDerWaalsContact O-CB 3.32Å; M404-M408 WeakPolarHBondContact O-CB 3.36Å; M404-M408 VanDerWaalsContact O-CG 3.24Å; M404-M408 WeakPolarHBondContact O-CG 3.28Å; M404-M408 PolarHBondContact O-N 3.44Å; M404-M408 HydrophobicContact SD-CE 4.45Å; M408-S412 VanDerWaalsContact O-CB 3.25Å; M408-S412 WeakPolarHBondContact O-CB 3.49Å; M408-S412 PolarHBondContact O-N 3.42Å; M408-S412 PolarHBondContact O-OG 2.82Å |
| 409 | L | 89.9 | Confident | 88.2 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 42% | 0.419 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.8 | -56.8 | 174 | -175.3 | 71.2 | 0 | 0 | 0 | 111.7 | I156 H405 Y406 E407 N411 S412 F413 | I156-L409 HydrophobicContact CG2-CB 4.15Å; I156-L409 HydrophobicContact CG2-CD1 4.08Å; H405-L409 WeakPolarHBondContact O-CB 3.3Å; H405-L409 PolarHBondContact O-N 2.89Å; Y406-L409 PolarHBondContact O-N 2.99Å; E407-L409 VanDerWaalsContact C-N 3.27Å; E407-L409 PolarHBondContact O-N 3.02Å; L409-N411 PolarHBondContact O-N 3.28Å; L409-S412 PolarHBondContact O-OG 3.1Å; L409-F413 HydrophobicContact CD1-CD2 3.84Å; L409-F413 HydrophobicContact CD1-CE2 3.83Å; L409-F413 WeakPolarHBondContact O-CD2 3.32Å; L409-F413 PolarHBondContact O-N 3.35Å |
| 410 | F | 87.9 | Confident | 88.9 | Confident | 64 Ų | 64 | 41.2 Ų | 41.2 | 28% | 0.281 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.9 | -36 | -175.1 | -86.7 | -93.8 | 0 | 0 | 0 | 112.5 | Y406 E407 Q414 | Y406-F410 HydrophobicContact CD1-CB 4.48Å; Y406-F410 AromaticContact CD1-CD2 3.82Å; Y406-F410 HydrophobicContact CD1-CD2 3.82Å; Y406-F410 HydrophobicContact CD1-CE2 4.48Å; Y406-F410 HydrophobicContact CD1-CG 4.36Å; Y406-F410 AromaticContact CD2-CD2 3.91Å; Y406-F410 HydrophobicContact CD2-CD2 3.91Å; Y406-F410 AromaticContact CD2-CE2 3.81Å; Y406-F410 HydrophobicContact CD2-CE2 3.81Å; Y406-F410 HydrophobicContact CE1-CB 4.09Å; Y406-F410 HydrophobicContact CE1-CD1 4.5Å; Y406-F410 AromaticContact CE1-CD2 3.47Å; Y406-F410 HydrophobicContact CE1-CD2 3.47Å; Y406-F410 VanDerWaalsContact CE1-CD2 3.47Å; Y406-F410 HydrophobicContact CE1-CE2 4.02Å; Y406-F410 AromaticContact CE1-CG 3.75Å; Y406-F410 HydrophobicContact CE1-CG 3.75Å; Y406-F410 AromaticContact CE2-CD2 3.62Å; Y406-F410 HydrophobicContact CE2-CD2 3.62Å; Y406-F410 AromaticContact CE2-CE2 3.3Å; Y406-F410 HydrophobicContact CE2-CE2 3.3Å; Y406-F410 AromaticContact CE2-CZ 3.98Å; Y406-F410 HydrophobicContact CE2-CZ 3.98Å; Y406-F410 HydrophobicContact CG-CD2 4Å; Y406-F410 HydrophobicContact CG-CE2 4.37Å; Y406-F410 AromaticContact CZ-CD2 3.39Å; Y406-F410 AromaticContact CZ-CE2 3.42Å; Y406-F410 VanDerWaalsContact CZ-CE2 3.42Å; Y406-F410 AromaticContact CZ-CG 3.86Å; Y406-F410 AromaticContact CZ-CZ 3.91Å; Y406-F410 WeakPolarHBondContact O-CD2 3.39Å; Y406-F410 PolarHBondContact O-N 3.07Å; E407-F410 PolarHBondContact O-N 3.46Å; F410-Q414 WeakPolarHBondContact O-CA 3.32Å; F410-Q414 VanDerWaalsContact O-CB 3.3Å; F410-Q414 WeakPolarHBondContact O-CB 3.41Å; F410-Q414 PolarHBondContact O-N 3.06Å |
| 411 | N | 88 | Confident | 89.2 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.064 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.2 | -37.4 | -177.5 | -61.4 | -16 | 0 | 0 | 0 | 112.4 | H383 Y384 E407 L409 | H383-N411 PolarHBondContact NE2-OD1 3.32Å; Y384-N411 VanDerWaalsContact CE1-CG 3.4Å; Y384-N411 WeakPolarHBondContact CE1-ND2 3.38Å; Y384-N411 WeakPolarHBondContact CE1-OD1 3.32Å; Y384-N411 PolarHBondContact OH-OD1 3.37Å; E407-N411 WeakPolarHBondContact O-CB 3Å; E407-N411 PolarHBondContact O-N 3.27Å; E407-N411 PolarHBondContact O-ND2 3.28Å; E407-N411 PolarHBondContact O-OD1 3.23Å; L409-N411 PolarHBondContact O-N 3.28Å |
| 412 | S | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.7 | -40.4 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | G160 S164 M408 L409 | G160-S412 CarbonylContact C-O 3.6Å; S164-S412 WeakPolarHBondContact CB-O 3.44Å; M408-S412 VanDerWaalsContact O-CB 3.25Å; M408-S412 WeakPolarHBondContact O-CB 3.49Å; M408-S412 PolarHBondContact O-N 3.42Å; M408-S412 PolarHBondContact O-OG 2.82Å; L409-S412 PolarHBondContact O-OG 3.1Å |
| 413 | F | 92.1 | Very high | 89.8 | Confident | 55 Ų | 55 | 34.9 Ų | 34.9 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -82.2 | -8.5 | 175.3 | -74.8 | -81.3 | 0 | 0 | 0 | 114.5 | I163 L409 G415 F416 L417 | I163-F413 HydrophobicContact CB-CE1 4.43Å; I163-F413 HydrophobicContact CD1-CE1 3.88Å; I163-F413 HydrophobicContact CD1-CZ 4.18Å; I163-F413 HydrophobicContact CG2-CE1 4.4Å; L409-F413 HydrophobicContact CD1-CD2 3.84Å; L409-F413 HydrophobicContact CD1-CE2 3.83Å; L409-F413 WeakPolarHBondContact O-CD2 3.32Å; L409-F413 PolarHBondContact O-N 3.35Å; F413-G415 VanDerWaalsContact C-N 3.34Å; F413-G415 PolarHBondContact O-N 2.95Å; F413-F416 HydrophobicContact CD1-CD1 4.11Å; F413-F416 WeakPolarHBondContact O-CB 2.97Å; F413-F416 PolarHBondContact O-N 2.88Å; F413-F416 VanDerWaalsContact O-N 3.13Å; F413-L417 PolarHBondContact O-N 2.89Å; F413-L417 VanDerWaalsContact O-N 3.1Å |
| 414 | Q | 91.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.1 | -51.4 | -177.8 | -161.6 | 178 | 3 | 0 | 0 | 111.8 | Y196 P378 Y384 F410 F416 L417 V418 | Y196-Q414 HydrophobicContact CE1-CB 4.25Å; Y196-Q414 HydrophobicContact CE1-CG 4.21Å; Y196-Q414 VanDerWaalsContact OH-CD 3.27Å; Y196-Q414 PolarHBondContact OH-NE2 3.47Å; P378-Q414 WeakPolarHBondContact O-CG 3.18Å; P378-Q414 PolarHBondContact O-NE2 2.73Å; Y384-Q414 PolarHBondContact OH-OE1 3.44Å; F410-Q414 WeakPolarHBondContact O-CA 3.32Å; F410-Q414 VanDerWaalsContact O-CB 3.3Å; F410-Q414 WeakPolarHBondContact O-CB 3.41Å; F410-Q414 PolarHBondContact O-N 3.06Å; Q414-F416 PolarHBondContact O-N 3.36Å; Q414-L417 WeakPolarHBondContact O-CB 3.15Å; Q414-L417 PolarHBondContact O-N 3.05Å; Q414-V418 WeakPolarHBondContact O-CG2 3.07Å; Q414-V418 PolarHBondContact O-N 2.9Å |
| 415 | G | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -32.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S164 F413 V418 A419 | S164-G415 VanDerWaalsContact OG-CA 3.27Å; S164-G415 WeakPolarHBondContact OG-CA 3.32Å; F413-G415 VanDerWaalsContact C-N 3.34Å; F413-G415 PolarHBondContact O-N 2.95Å; G415-V418 PolarHBondContact O-N 2.93Å; G415-A419 WeakPolarHBondContact O-CB 3.01Å; G415-A419 PolarHBondContact O-N 3.38Å |
| 416 | F | 94.1 | Very high | 90.5 | Very high | 65 Ų | 65 | 38.1 Ų | 38.1 | 29% | 0.285 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64 | -44 | 172.1 | 168.2 | -109.2 | 0 | 0 | 0 | 111.3 | I163 S164 F413 Q414 A419 I420 | I163-F416 HydrophobicContact CG2-CB 4.48Å; I163-F416 HydrophobicContact CG2-CD2 3.66Å; I163-F416 HydrophobicContact CG2-CE2 3.9Å; I163-F416 HydrophobicContact CG2-CG 4.03Å; I163-F416 HydrophobicContact CG2-CZ 4.47Å; S164-F416 PolarHBondContact OG-N 3.26Å; F413-F416 HydrophobicContact CD1-CD1 4.11Å; F413-F416 WeakPolarHBondContact O-CB 2.97Å; F413-F416 PolarHBondContact O-N 2.88Å; F413-F416 VanDerWaalsContact O-N 3.13Å; Q414-F416 PolarHBondContact O-N 3.36Å; F416-A419 PolarHBondContact O-N 2.92Å; F416-I420 HydrophobicContact CD1-CD1 4.11Å; F416-I420 HydrophobicContact CD2-CD1 4.26Å; F416-I420 HydrophobicContact CE1-CD1 3.64Å; F416-I420 HydrophobicContact CE2-CD1 3.81Å; F416-I420 HydrophobicContact CE2-CG1 4.46Å; F416-I420 HydrophobicContact CG-CD1 4.42Å; F416-I420 HydrophobicContact CZ-CD1 3.49Å; F416-I420 VanDerWaalsContact CZ-CD1 3.49Å; F416-I420 WeakPolarHBondContact O-CG1 3.48Å; F416-I420 PolarHBondContact O-N 3.37Å |
| 417 | L | 91.5 | Very high | 90.7 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 175.7 | -63.3 | 175 | 0 | 0 | 0 | 111.3 | P378 F413 Q414 A419 I420 I421 | P378-L417 HydrophobicContact CB-CD1 4.16Å; P378-L417 HydrophobicContact CG-CD1 4.45Å; F413-L417 PolarHBondContact O-N 2.89Å; F413-L417 VanDerWaalsContact O-N 3.1Å; Q414-L417 WeakPolarHBondContact O-CB 3.15Å; Q414-L417 PolarHBondContact O-N 3.05Å; L417-A419 VanDerWaalsContact C-N 3.35Å; L417-A419 PolarHBondContact O-N 2.03Å; L417-I420 WeakPolarHBondContact O-CB 3.25Å; L417-I420 PolarHBondContact O-N 3.23Å; L417-I421 WeakPolarHBondContact O-CD1 3.36Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.28Å |
| 418 | V | 91.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 178 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | L192 F193 Y196 L379 Q414 G415 I421 Y422 | L192-V418 HydrophobicContact CD2-CG1 4.08Å; F193-V418 HydrophobicContact CE1-CG1 3.94Å; Y196-V418 HydrophobicContact CE2-CG2 4.45Å; L379-V418 HydrophobicContact CG-CG2 4.19Å; Q414-V418 WeakPolarHBondContact O-CG2 3.07Å; Q414-V418 PolarHBondContact O-N 2.9Å; G415-V418 PolarHBondContact O-N 2.93Å; V418-I421 PolarHBondContact O-N 3.33Å; V418-Y422 HydrophobicContact CG1-CD2 3.62Å; V418-Y422 HydrophobicContact CG1-CE2 4.08Å; V418-Y422 PolarHBondContact O-N 3.35Å |
| 419 | A | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I168 A171 F193 G415 F416 L417 C423 F424 | I168-A419 HydrophobicContact CG1-CB 4.04Å; A171-A419 HydrophobicContact CB-CB 4.36Å; F193-A419 HydrophobicContact CE1-CB 4.26Å; G415-A419 WeakPolarHBondContact O-CB 3.01Å; G415-A419 PolarHBondContact O-N 3.38Å; F416-A419 PolarHBondContact O-N 2.92Å; L417-A419 VanDerWaalsContact C-N 3.35Å; L417-A419 PolarHBondContact O-N 2.03Å; A419-C423 WeakPolarHBondContact O-CA 3.27Å; A419-C423 VanDerWaalsContact O-CB 3.3Å; A419-C423 WeakPolarHBondContact O-CB 3.36Å; A419-C423 PolarHBondContact O-N 2.86Å; A419-C423 VanDerWaalsContact O-N 3.09Å; A419-F424 HydrophobicContact CB-CE2 4.16Å; A419-F424 WeakPolarHBondContact O-CD2 3.3Å; A419-F424 PolarHBondContact O-N 3.41Å; A419-F424 VanDerWaalsContact O-N 3.15Å |
| 420 | I | 91.7 | Very high | 91.2 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -60.6 | -52.1 | 171.5 | -72.3 | 169.7 | 0 | 0 | 0 | 110.8 | F416 L417 F424 C425 | F416-I420 HydrophobicContact CD1-CD1 4.11Å; F416-I420 HydrophobicContact CD2-CD1 4.26Å; F416-I420 HydrophobicContact CE1-CD1 3.64Å; F416-I420 HydrophobicContact CE2-CD1 3.81Å; F416-I420 HydrophobicContact CE2-CG1 4.46Å; F416-I420 HydrophobicContact CG-CD1 4.42Å; F416-I420 HydrophobicContact CZ-CD1 3.49Å; F416-I420 VanDerWaalsContact CZ-CD1 3.49Å; F416-I420 WeakPolarHBondContact O-CG1 3.48Å; F416-I420 PolarHBondContact O-N 3.37Å; L417-I420 WeakPolarHBondContact O-CB 3.25Å; L417-I420 PolarHBondContact O-N 3.23Å; I420-F424 HydrophobicContact CG1-CD2 4.13Å; I420-F424 PolarHBondContact O-N 2.03Å; I420-C425 VanDerWaalsContact O-CB 3.32Å; I420-C425 WeakPolarHBondContact O-CB 3.46Å; I420-C425 PolarHBondContact O-N 2.84Å |
| 421 | I | 88.9 | Confident | 91.5 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -65.7 | -51 | -172 | -65.3 | 158.7 | 0 | 0 | 0 | 111.6 | V375 L379 L417 V418 | V375-I421 HydrophobicContact CG1-CD1 3.68Å; V375-I421 HydrophobicContact CG1-CG1 3.86Å; V375-I421 HydrophobicContact CG1-CG2 4.01Å; L379-I421 HydrophobicContact CD1-CD1 4.22Å; L379-I421 HydrophobicContact CD1-CG2 4.02Å; L417-I421 WeakPolarHBondContact O-CD1 3.36Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.28Å; V418-I421 PolarHBondContact O-N 3.33Å |
| 422 | Y | 87.7 | Confident | 91.7 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -90.4 | -23 | -172.4 | -71.4 | -35.8 | 0 | 0 | 0 | 115.4 | H189 E265 L379 V418 N426 | H189-Y422 AromaticContact CE1-CD1 3.86Å; H189-Y422 AromaticContact CE1-CD2 3.67Å; H189-Y422 AromaticContact CE1-CE1 3.7Å; H189-Y422 AromaticContact CE1-CE2 3.49Å; H189-Y422 VanDerWaalsContact CE1-CE2 3.49Å; H189-Y422 WeakPolarHBondContact CE1-CE2 3.46Å; H189-Y422 AromaticContact CE1-CG 3.84Å; H189-Y422 AromaticContact CE1-CZ 3.48Å; H189-Y422 VanDerWaalsContact CE1-CZ 3.48Å; H189-Y422 AromaticContact ND1-CD2 3.56Å; H189-Y422 AromaticContact ND1-CE2 3.56Å; H189-Y422 AromaticContact NE2-CD1 3.95Å; E265-Y422 VanDerWaalsContact OE1-CE2 3.25Å; E265-Y422 WeakPolarHBondContact OE1-CE2 3.04Å; E265-Y422 WeakPolarHBondContact OE2-CE2 3.37Å; L379-Y422 HydrophobicContact CD1-CD2 4.39Å; L379-Y422 HydrophobicContact CD1-CE1 4.11Å; L379-Y422 HydrophobicContact CD1-CE2 3.69Å; L379-Y422 HydrophobicContact CD2-CE2 3.98Å; L379-Y422 VanDerWaalsContact CD2-OH 3.31Å; L379-Y422 WeakPolarHBondContact CD2-OH 3.25Å; L379-Y422 HydrophobicContact CG-CE2 4.12Å; V418-Y422 HydrophobicContact CG1-CD2 3.62Å; V418-Y422 HydrophobicContact CG1-CE2 4.08Å; V418-Y422 PolarHBondContact O-N 3.35Å; Y422-N426 VanDerWaalsContact O-CB 3.28Å; Y422-N426 WeakPolarHBondContact O-CB 3.35Å; Y422-N426 PolarHBondContact O-ND2 2.98Å; Y422-N426 VanDerWaalsContact O-ND2 3.1Å |
| 423 | C | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -108.6 | -64.4 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 112.6 | A171 F193 A419 N426 V429 | A171-C423 HydrophobicContact CB-CB 3.64Å; F193-C423 HydrophobicContact CZ-CB 4.41Å; A419-C423 WeakPolarHBondContact O-CA 3.27Å; A419-C423 VanDerWaalsContact O-CB 3.3Å; A419-C423 WeakPolarHBondContact O-CB 3.36Å; A419-C423 PolarHBondContact O-N 2.86Å; A419-C423 VanDerWaalsContact O-N 3.09Å; C423-N426 WeakPolarHBondContact O-CB 3.49Å; C423-N426 PolarHBondContact O-N 3.45Å; C423-V429 WeakPolarHBondContact O-CB 3.49Å |
| 424 | F | 92.6 | Very high | 91.7 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 30% | 0.303 | 25% | 0.25 | S | C | . | . | I | π-helix | trans | -73.6 | -34.6 | -167.2 | -56 | -52.8 | 0 | 0 | 0 | 114.4 | S167 V170 A171 I174 A419 I420 Q430 | S167-F424 WeakPolarHBondContact O-CZ 3.28Å; V170-F424 HydrophobicContact CB-CZ 4.32Å; V170-F424 HydrophobicContact CG1-CE1 4.01Å; V170-F424 HydrophobicContact CG1-CZ 4.12Å; A171-F424 HydrophobicContact CB-CZ 4.35Å; I174-F424 HydrophobicContact CD1-CD1 4.47Å; I174-F424 HydrophobicContact CD1-CE1 3.92Å; A419-F424 HydrophobicContact CB-CE2 4.16Å; A419-F424 WeakPolarHBondContact O-CD2 3.3Å; A419-F424 PolarHBondContact O-N 3.41Å; A419-F424 VanDerWaalsContact O-N 3.15Å; I420-F424 HydrophobicContact CG1-CD2 4.13Å; I420-F424 PolarHBondContact O-N 2.03Å; F424-Q430 PolarHBondContact O-NE2 3.04Å |
| 425 | C | 90.9 | Very high | 91.8 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -2.7 | 175.8 | -70.7 | 0 | 0 | 0 | 0 | 113.9 | I420 G427 | I420-C425 VanDerWaalsContact O-CB 3.32Å; I420-C425 WeakPolarHBondContact O-CB 3.46Å; I420-C425 PolarHBondContact O-N 2.84Å; C425-G427 PolarHBondContact O-N 3.11Å |
| 426 | N | 89.7 | Confident | 91.6 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | trans | -76.9 | 120 | -176.5 | -177.5 | -20 | 0 | 0 | 0 | 111.3 | Y422 C423 E428 V429 Q430 | Y422-N426 VanDerWaalsContact O-CB 3.28Å; Y422-N426 WeakPolarHBondContact O-CB 3.35Å; Y422-N426 PolarHBondContact O-ND2 2.98Å; Y422-N426 VanDerWaalsContact O-ND2 3.1Å; C423-N426 WeakPolarHBondContact O-CB 3.49Å; C423-N426 PolarHBondContact O-N 3.45Å; N426-E428 VanDerWaalsContact C-N 3.28Å; N426-E428 PolarHBondContact O-N 3.1Å; N426-E428 WeakPolarHBondContact OD1-CB 3.48Å; N426-E428 PolarHBondContact OD1-N 2.85Å; N426-V429 HydrophobicContact CB-CB 4.19Å; N426-V429 HydrophobicContact CB-CG2 3.76Å; N426-V429 WeakPolarHBondContact O-CB 3.07Å; N426-V429 PolarHBondContact O-N 3.18Å; N426-V429 VanDerWaalsContact O-N 3.09Å; N426-Q430 WeakPolarHBondContact O-CG 3.18Å; N426-Q430 PolarHBondContact O-N 2.97Å | ||
| 427 | G | 89.4 | Confident | 91.5 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 49% | 0.485 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -31.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C425 A431 | C425-G427 PolarHBondContact O-N 3.11Å; G427-A431 VanDerWaalsContact O-CB 3.23Å; G427-A431 WeakPolarHBondContact O-CB 3.26Å; G427-A431 PolarHBondContact O-N 3.43Å |
| 428 | E | 90.6 | Very high | 91.6 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.7 | -61.6 | 168.9 | -144.8 | 0 | 0 | 110.9 | L181 R185 N426 A431 E432 | L181-E428 HydrophobicContact CD2-CB 4.14Å; R185-E428 IonicContact CZ-OE1 2.92Å; R185-E428 IonicContact CZ-OE2 3.89Å; R185-E428 IonicContact NH1-OE1 2.78Å; R185-E428 PolarHBondContact NH1-OE1 3.47Å; R185-E428 IonicContact NH2-OE1 3.9Å; R185-E428 PolarHBondContact NH2-OE1 2.91Å; R185-E428 IonicContact NH2-OE2 2.7Å; R185-E428 PolarHBondContact NH2-OE2 3.11Å; N426-E428 VanDerWaalsContact C-N 3.28Å; N426-E428 PolarHBondContact O-N 3.1Å; N426-E428 WeakPolarHBondContact OD1-CB 3.48Å; N426-E428 PolarHBondContact OD1-N 2.85Å; E428-A431 PolarHBondContact O-N 3.36Å; E428-E432 PolarHBondContact O-N 2.89Å; E428-E432 VanDerWaalsContact O-N 3.14Å |
| 429 | V | 93.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.1 | -48.8 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 110 | I174 L175 L181 C423 N426 A431 E432 I433 | I174-V429 HydrophobicContact CG2-CG1 3.61Å; L175-V429 HydrophobicContact CD2-CG2 4.22Å; L181-V429 HydrophobicContact CD1-CG2 3.97Å; C423-V429 WeakPolarHBondContact O-CB 3.49Å; N426-V429 HydrophobicContact CB-CB 4.19Å; N426-V429 HydrophobicContact CB-CG2 3.76Å; N426-V429 WeakPolarHBondContact O-CB 3.07Å; N426-V429 PolarHBondContact O-N 3.18Å; N426-V429 VanDerWaalsContact O-N 3.09Å; V429-A431 VanDerWaalsContact C-N 3.29Å; V429-A431 PolarHBondContact O-N 2.92Å; V429-E432 PolarHBondContact O-N 3.17Å; V429-I433 HydrophobicContact CG1-CD1 3.74Å; V429-I433 HydrophobicContact CG1-CG1 4.37Å; V429-I433 WeakPolarHBondContact O-CB 3.48Å; V429-I433 VanDerWaalsContact O-CG1 3.3Å; V429-I433 WeakPolarHBondContact O-CG1 3.44Å; V429-I433 PolarHBondContact O-N 3.17Å |
| 430 | Q | 92.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 72.7 Ų | 72.7 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 176.9 | -68.5 | -177.4 | 3.2 | 0 | 0 | 112.2 | F424 N426 K434 | F424-Q430 PolarHBondContact O-NE2 3.04Å; N426-Q430 WeakPolarHBondContact O-CG 3.18Å; N426-Q430 PolarHBondContact O-N 2.97Å; Q430-K434 VanDerWaalsContact O-CB 3.25Å; Q430-K434 WeakPolarHBondContact O-CB 3.02Å; Q430-K434 PolarHBondContact O-N 3.44Å |
| 431 | A | 93.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.6 | -49.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G427 E428 V429 K434 K435 | G427-A431 VanDerWaalsContact O-CB 3.23Å; G427-A431 WeakPolarHBondContact O-CB 3.26Å; G427-A431 PolarHBondContact O-N 3.43Å; E428-A431 PolarHBondContact O-N 3.36Å; V429-A431 VanDerWaalsContact C-N 3.29Å; V429-A431 PolarHBondContact O-N 2.92Å; A431-K434 PolarHBondContact O-N 2.95Å; A431-K435 WeakPolarHBondContact O-CB 3.34Å; A431-K435 PolarHBondContact O-N 3.1Å |
| 432 | E | 93.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 74.9 Ų | 74.9 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.3 | -31.5 | 176.7 | -83.1 | -63.9 | 156.1 | 0 | 0 | 112.9 | F178 R180 E428 V429 K435 S436 R439 | F178-E432 HydrophobicContact CD1-CB 4.48Å; R180-E432 HydrophobicContact CB-CG 4.44Å; R180-E432 WeakPolarHBondContact CD-OE1 3.41Å; R180-E432 IonicContact NE-OE1 2.8Å; E428-E432 PolarHBondContact O-N 2.89Å; E428-E432 VanDerWaalsContact O-N 3.14Å; V429-E432 PolarHBondContact O-N 3.17Å; E432-K435 WeakPolarHBondContact OE1-CD 3.34Å; E432-K435 WeakPolarHBondContact OE1-CE 3.35Å; E432-K435 IonicContact OE1-NZ 2.66Å; E432-K435 PolarHBondContact OE1-NZ 3.25Å; E432-S436 WeakPolarHBondContact O-CB 3.48Å; E432-S436 PolarHBondContact O-N 2.71Å; E432-R439 IonicContact OE2-CZ 3.32Å; E432-R439 IonicContact OE2-NH1 3.55Å; E432-R439 IonicContact OE2-NH2 3.86Å; E432-R439 PolarHBondContact OE2-NH2 3.08Å |
| 433 | I | 91.9 | Very high | 91.6 | Very high | 67 Ų | 67 | 76 Ų | 76 | 34% | 0.344 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -52.7 | 170.3 | -71.5 | 174 | 0 | 0 | 0 | 110.5 | I174 F178 V429 K435 S436 W437 | I174-I433 HydrophobicContact CD1-CD1 4.35Å; I174-I433 HydrophobicContact CG2-CD1 4.34Å; F178-I433 HydrophobicContact CE2-CG1 3.85Å; F178-I433 HydrophobicContact CZ-CG1 4.2Å; V429-I433 HydrophobicContact CG1-CD1 3.74Å; V429-I433 HydrophobicContact CG1-CG1 4.37Å; V429-I433 WeakPolarHBondContact O-CB 3.48Å; V429-I433 VanDerWaalsContact O-CG1 3.3Å; V429-I433 WeakPolarHBondContact O-CG1 3.44Å; V429-I433 PolarHBondContact O-N 3.17Å; I433-K435 VanDerWaalsContact C-N 3.29Å; I433-K435 PolarHBondContact O-N 2.85Å; I433-S436 WeakPolarHBondContact O-CB 3.27Å; I433-S436 PolarHBondContact O-N 2.85Å; I433-S436 VanDerWaalsContact O-N 3.1Å; I433-W437 WeakPolarHBondContact O-CB 3.37Å; I433-W437 PolarHBondContact O-N 2.8Å |
| 434 | K | 92.8 | Very high | 91.4 | Very high | 163 Ų | 163 | 80.9 Ų | 80.9 | 71% | 0.709 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.4 | -40.7 | 179.2 | -176.8 | 173.6 | -178.6 | 175.4 | 0 | 112 | Q430 A431 S438 | Q430-K434 VanDerWaalsContact O-CB 3.25Å; Q430-K434 WeakPolarHBondContact O-CB 3.02Å; Q430-K434 PolarHBondContact O-N 3.44Å; A431-K434 PolarHBondContact O-N 2.95Å; K434-S438 WeakPolarHBondContact O-CB 3.46Å; K434-S438 PolarHBondContact O-N 2.98Å |
| 435 | K | 92.8 | Very high | 91.2 | Very high | 95 Ų | 95 | 80.4 Ų | 80.4 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 176 | -171.6 | 179.1 | 173.8 | -173.6 | 0 | 112.3 | A431 E432 I433 R439 | A431-K435 WeakPolarHBondContact O-CB 3.34Å; A431-K435 PolarHBondContact O-N 3.1Å; E432-K435 WeakPolarHBondContact OE1-CD 3.34Å; E432-K435 WeakPolarHBondContact OE1-CE 3.35Å; E432-K435 IonicContact OE1-NZ 2.66Å; E432-K435 PolarHBondContact OE1-NZ 3.25Å; I433-K435 VanDerWaalsContact C-N 3.29Å; I433-K435 PolarHBondContact O-N 2.85Å; K435-R439 WeakPolarHBondContact O-CB 3.46Å; K435-R439 VanDerWaalsContact O-CG 3.27Å; K435-R439 WeakPolarHBondContact O-CG 3.17Å; K435-R439 PolarHBondContact O-N 2.75Å; K435-R439 PolarHBondContact O-NE 3.42Å |
| 436 | S | 90.4 | Very high | 90.9 | Very high | 32 Ų | 32 | 83.6 Ų | 83.6 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 173.9 | -157.7 | 0 | 0 | 0 | 0 | 111.8 | E432 I433 R439 R440 | E432-S436 WeakPolarHBondContact O-CB 3.48Å; E432-S436 PolarHBondContact O-N 2.71Å; I433-S436 WeakPolarHBondContact O-CB 3.27Å; I433-S436 PolarHBondContact O-N 2.85Å; I433-S436 VanDerWaalsContact O-N 3.1Å; S436-R439 VanDerWaalsContact CA-NH2 3.34Å; S436-R439 PolarHBondContact O-N 2.69Å; S436-R440 WeakPolarHBondContact O-CB 3.48Å; S436-R440 PolarHBondContact O-N 3.07Å |
| 437 | W | 92 | Very high | 90.4 | Very high | 182 Ų | 182 | 88.7 Ų | 88.7 | 69% | 0.689 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.9 | -49.4 | 175 | -172.4 | 81 | 0 | 0 | 0 | 111.3 | I433 R439 R440 T441 | I433-W437 WeakPolarHBondContact O-CB 3.37Å; I433-W437 PolarHBondContact O-N 2.8Å; W437-R439 PolarHBondContact O-N 2.63Å; W437-R440 PolarHBondContact O-N 2.93Å; W437-T441 PolarHBondContact O-N 2.7Å; W437-T441 PolarHBondContact O-OG1 2.94Å; W437-T441 VanDerWaalsContact O-OG1 3.11Å |
| 438 | S | 92.1 | Very high | 89.8 | Confident | 59 Ų | 59 | 94.7 Ų | 94.7 | 41% | 0.413 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.4 | -47.6 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 112.9 | K434 R440 T441 L442 | K434-S438 WeakPolarHBondContact O-CB 3.46Å; K434-S438 PolarHBondContact O-N 2.98Å; S438-R440 VanDerWaalsContact C-N 3.32Å; S438-R440 PolarHBondContact O-N 2.88Å; S438-T441 PolarHBondContact O-N 3.36Å; S438-L442 WeakPolarHBondContact O-CG 3.45Å; S438-L442 PolarHBondContact O-N 2.84Å |
| 439 | R | 91.2 | Very high | 89.2 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 173.7 | -73.3 | 176.1 | -64.9 | -137.8 | -3.7 | 112 | E432 K435 S436 W437 A443 | E432-R439 IonicContact OE2-CZ 3.32Å; E432-R439 IonicContact OE2-NH1 3.55Å; E432-R439 IonicContact OE2-NH2 3.86Å; E432-R439 PolarHBondContact OE2-NH2 3.08Å; K435-R439 WeakPolarHBondContact O-CB 3.46Å; K435-R439 VanDerWaalsContact O-CG 3.27Å; K435-R439 WeakPolarHBondContact O-CG 3.17Å; K435-R439 PolarHBondContact O-N 2.75Å; K435-R439 PolarHBondContact O-NE 3.42Å; S436-R439 VanDerWaalsContact CA-NH2 3.34Å; S436-R439 PolarHBondContact O-N 2.69Å; W437-R439 PolarHBondContact O-N 2.63Å; R439-A443 WeakPolarHBondContact O-CB 3.19Å; R439-A443 PolarHBondContact O-N 2.95Å |
| 440 | R | 91.3 | Very high | 88.2 | Confident | 185 Ų | 185 | 101.5 Ų | 101.5 | 70% | 0.698 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.1 | -40.8 | -178.9 | -168.6 | 171.9 | -177.2 | 162.1 | -0.4 | 112.2 | S436 W437 S438 A443 L444 | S436-R440 WeakPolarHBondContact O-CB 3.48Å; S436-R440 PolarHBondContact O-N 3.07Å; W437-R440 PolarHBondContact O-N 2.93Å; S438-R440 VanDerWaalsContact C-N 3.32Å; S438-R440 PolarHBondContact O-N 2.88Å; R440-A443 PolarHBondContact O-N 2.86Å; R440-L444 HydrophobicContact CG-CD1 4.39Å; R440-L444 VanDerWaalsContact O-CG 3.3Å; R440-L444 WeakPolarHBondContact O-CG 3.44Å; R440-L444 PolarHBondContact O-N 2.85Å |
| 441 | T | 92.9 | Very high | 86.8 | Confident | 48 Ų | 48 | 105.9 Ų | 105.9 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 174.6 | -57 | 0 | 0 | 0 | 0 | 110.8 | W437 S438 A443 L444 D445 | W437-T441 PolarHBondContact O-N 2.7Å; W437-T441 PolarHBondContact O-OG1 2.94Å; W437-T441 VanDerWaalsContact O-OG1 3.11Å; S438-T441 PolarHBondContact O-N 3.36Å; T441-A443 VanDerWaalsContact C-N 3.33Å; T441-A443 PolarHBondContact O-N 3Å; T441-L444 WeakPolarHBondContact O-CB 3.49Å; T441-L444 PolarHBondContact O-N 2.8Å; T441-L444 VanDerWaalsContact O-N 3.08Å; T441-D445 PolarHBondContact O-N 3.45Å |
| 442 | L | 90.7 | Very high | 85.2 | Confident | 97 Ų | 97 | 107.6 Ų | 107.6 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 175.7 | -70.9 | 170 | 0 | 0 | 0 | 112.3 | S438 L444 D445 F446 | S438-L442 WeakPolarHBondContact O-CG 3.45Å; S438-L442 PolarHBondContact O-N 2.84Å; L442-L444 VanDerWaalsContact C-N 3.33Å; L442-L444 PolarHBondContact O-N 3.2Å; L442-D445 PolarHBondContact O-N 2.96Å; L442-F446 VanDerWaalsContact O-CD2 3.28Å; L442-F446 WeakPolarHBondContact O-CD2 3.49Å; L442-F446 PolarHBondContact O-N 3.34Å |
| 443 | A | 88.7 | Confident | 83.5 | Confident | 59 Ų | 59 | 109.1 Ų | 109.1 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -35.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | R439 R440 T441 K447 | R439-A443 WeakPolarHBondContact O-CB 3.19Å; R439-A443 PolarHBondContact O-N 2.95Å; R440-A443 PolarHBondContact O-N 2.86Å; T441-A443 VanDerWaalsContact C-N 3.33Å; T441-A443 PolarHBondContact O-N 3Å; A443-K447 WeakPolarHBondContact O-CB 3.3Å; A443-K447 PolarHBondContact O-N 2.79Å |
| 444 | L | 87.5 | Confident | 81.7 | Confident | 101 Ų | 101 | 109.9 Ų | 109.9 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 173.8 | -72.2 | 169.8 | 0 | 0 | 0 | 112 | R440 T441 L442 K447 R448 | R440-L444 HydrophobicContact CG-CD1 4.39Å; R440-L444 VanDerWaalsContact O-CG 3.3Å; R440-L444 WeakPolarHBondContact O-CG 3.44Å; R440-L444 PolarHBondContact O-N 2.85Å; T441-L444 WeakPolarHBondContact O-CB 3.49Å; T441-L444 PolarHBondContact O-N 2.8Å; T441-L444 VanDerWaalsContact O-N 3.08Å; L442-L444 VanDerWaalsContact C-N 3.33Å; L442-L444 PolarHBondContact O-N 3.2Å; L444-K447 CarbonylContact O-C 3.6Å; L444-K447 PolarHBondContact O-N 3.43Å; L444-R448 WeakPolarHBondContact O-CB 2.98Å; L444-R448 PolarHBondContact O-N 2.95Å |
| 445 | D | 87.7 | Confident | 79.6 | Confident | 59 Ų | 59 | 109.2 Ų | 109.2 | 32% | 0.316 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 176.3 | -74.2 | -35.9 | 0 | 0 | 0 | 112.3 | T441 L442 R448 K449 | T441-D445 PolarHBondContact O-N 3.45Å; L442-D445 PolarHBondContact O-N 2.96Å; D445-R448 PolarHBondContact O-N 2.9Å; D445-R448 IonicContact OD1-NH1 3.49Å; D445-K449 WeakPolarHBondContact O-CB 3.33Å; D445-K449 WeakPolarHBondContact O-CG 3.37Å; D445-K449 PolarHBondContact O-N 3.41Å |
| 446 | F | 84.6 | Confident | 77.6 | Confident | 148 Ų | 148 | 110.5 Ų | 110.5 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.9 | -44.9 | 168.8 | -85.6 | -69 | 0 | 0 | 0 | 111.5 | L442 R448 K449 A450 | L442-F446 VanDerWaalsContact O-CD2 3.28Å; L442-F446 WeakPolarHBondContact O-CD2 3.49Å; L442-F446 PolarHBondContact O-N 3.34Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.17Å; F446-K449 PolarHBondContact O-N 3.48Å; F446-A450 WeakPolarHBondContact O-CB 3.32Å; F446-A450 PolarHBondContact O-N 3.45Å |
| 447 | K | 79.1 | Confident | 75.4 | Confident | 136 Ų | 136 | 119.2 Ų | 119.2 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.1 | -33.5 | 177.6 | -167.9 | 173.3 | -175.5 | 176.8 | 0 | 112.7 | A443 L444 R451 | A443-K447 WeakPolarHBondContact O-CB 3.3Å; A443-K447 PolarHBondContact O-N 2.79Å; L444-K447 CarbonylContact O-C 3.6Å; L444-K447 PolarHBondContact O-N 3.43Å; K447-R451 PolarHBondContact O-N 2.02Å |
| 448 | R | 77.8 | Confident | 72.9 | Confident | 173 Ų | 173 | 115.5 Ų | 115.5 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.5 | -50.3 | 173.1 | 178.3 | -178.2 | -88.4 | 152.4 | -13.8 | 110.9 | L444 D445 F446 A450 R451 S452 | L444-R448 WeakPolarHBondContact O-CB 2.98Å; L444-R448 PolarHBondContact O-N 2.95Å; D445-R448 PolarHBondContact O-N 2.9Å; D445-R448 IonicContact OD1-NH1 3.49Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.17Å; R448-A450 VanDerWaalsContact C-N 3.34Å; R448-A450 PolarHBondContact O-N 3.45Å; R448-R451 PolarHBondContact O-N 2.96Å; R448-S452 PolarHBondContact O-N 2.75Å |
| 449 | K | 78.1 | Confident | 70.8 | Confident | 154 Ų | 154 | 123.6 Ų | 123.6 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58.7 | -43.4 | 176.9 | -73.9 | 176.1 | 179 | -179 | 0 | 112.1 | D445 F446 R451 S452 G453 | D445-K449 WeakPolarHBondContact O-CB 3.33Å; D445-K449 WeakPolarHBondContact O-CG 3.37Å; D445-K449 PolarHBondContact O-N 3.41Å; F446-K449 PolarHBondContact O-N 3.48Å; K449-R451 VanDerWaalsContact C-N 3.28Å; K449-R451 PolarHBondContact O-N 3.44Å; K449-S452 PolarHBondContact O-N 2.81Å; K449-G453 PolarHBondContact O-N 2.92Å |
| 450 | A | 71.5 | Confident | 68.2 | Low | 78 Ų | 78 | 121 Ų | 121 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.5 | -31.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F446 R448 | F446-A450 WeakPolarHBondContact O-CB 3.32Å; F446-A450 PolarHBondContact O-N 3.45Å; R448-A450 VanDerWaalsContact C-N 3.34Å; R448-A450 PolarHBondContact O-N 3.45Å |
| 451 | R | 64.1 | Low | 66.1 | Low | 194 Ų | 194 | 118.1 Ų | 118.1 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.2 | -37.9 | 175 | -127.3 | 173.4 | 177.8 | 80.7 | -3.7 | 112.6 | K447 R448 K449 | K447-R451 PolarHBondContact O-N 2.02Å; R448-R451 PolarHBondContact O-N 2.96Å; K449-R451 VanDerWaalsContact C-N 3.28Å; K449-R451 PolarHBondContact O-N 3.44Å |
| 452 | S | 59 | Low | 64 | Low | 94 Ų | 94 | 124.8 Ų | 124.8 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73 | -26.3 | 176.4 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | R448 K449 S454 | R448-S452 PolarHBondContact O-N 2.75Å; K449-S452 PolarHBondContact O-N 2.81Å; S452-S454 PolarHBondContact O-N 2.95Å; S452-S454 VanDerWaalsContact O-N 3.15Å |
| 453 | G | 58 | Low | 61.5 | Low | 51 Ų | 51 | 125.7 Ų | 125.7 | 53% | 0.526 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -69 | -4.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | K449 N455 | K449-G453 PolarHBondContact O-N 2.92Å; G453-N455 VanDerWaalsContact C-N 3.34Å; G453-N455 PolarHBondContact O-N 3.05Å |
| 454 | S | 52.8 | Low | 59.2 | Low | 83 Ų | 83 | 127.6 Ų | 127.6 | 58% | 0.58 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -80.3 | -6.1 | -171.9 | -163.5 | 0 | 0 | 0 | 0 | 115.4 | S452 | S452-S454 PolarHBondContact O-N 2.95Å; S452-S454 VanDerWaalsContact O-N 3.15Å |
| 455 | N | 50.2 | Low | 56.8 | Low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -113.6 | 15.5 | -169.3 | -94 | 34.2 | 0 | 0 | 0 | 115.6 | G453 | G453-N455 VanDerWaalsContact C-N 3.34Å; G453-N455 PolarHBondContact O-N 3.05Å |
| 456 | T | 49.7 | Very low | 54.4 | Low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -142.5 | 58.7 | 175.7 | -36.6 | 0 | 0 | 0 | 0 | 113.8 | S458 | T456-S458 VanDerWaalsContact C-N 3.33Å; T456-S458 PolarHBondContact O-N 3.21Å | ||
| 457 | Y | 44.2 | Very low | 52.1 | Low | 215 Ų | 215 | 132.8 Ų | 132.8 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -86.5 | 76.2 | 158 | -78.6 | -74.4 | 0 | 0 | 0 | 110 | ||||
| 458 | S | 40.3 | Very low | 50 | Low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -95 | 122.4 | 163.4 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | T456 G460 | T456-S458 VanDerWaalsContact C-N 3.33Å; T456-S458 PolarHBondContact O-N 3.21Å; S458-G460 PolarHBondContact O-N 3.09Å | ||
| 459 | Y | 47.7 | Very low | 47.8 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -69.6 | 125 | 173.5 | -92.7 | -106.3 | 0 | 0 | 0 | 109.9 | ||||
| 460 | G | 36.3 | Very low | 45.5 | Very low | 63 Ų | 63 | 128.8 Ų | 128.8 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | -123.2 | 138.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | S458 | S458-G460 PolarHBondContact O-N 3.09Š| ||
| 461 | P | 48.2 | Very low | 43.7 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | trans | -71.1 | 148 | -166.1 | -20.1 | 33.4 | 0 | 0 | 0 | 114.4 | V463 | P461-V463 PolarHBondContact O-N 2.89Š| ||
| 462 | M | 46.8 | Very low | 42.3 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | trans | -65.4 | 123.8 | 158.6 | -71.2 | -179.2 | 171.3 | 0 | 0 | 109.3 | ||||
| 463 | V | 39.7 | Very low | 41.1 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -101.8 | 101 | 164.5 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | P461 | P461-V463 PolarHBondContact O-N 2.89Š| ||
| 464 | S | 39.2 | Very low | 40 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -85 | 112.5 | 179.2 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 465 | H | 38.2 | Very low | 39 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -106.3 | 83.9 | 166.2 | -79.5 | -71.8 | 0 | 0 | 0 | 110.9 | ||||
| 466 | T | 37.7 | Very low | 38.9 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -95.7 | 98.8 | 164.5 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 467 | S | 34.8 | Very low | 38 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -88.7 | 129.4 | 161.6 | 43.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 468 | V | 34.7 | Very low | 37.3 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -126.4 | 162.9 | 179.3 | 180 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 469 | T | 32.3 | Very low | 36.8 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 78.3 | 136.1 | -175.7 | 78.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 470 | N | 31.1 | Very low | 35.9 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | cis | -143.9 | 144.9 | -0.7 | -90.1 | -41.5 | 0 | 0 | 0 | 111.1 | ||||
| 471 | V | 33.6 | Very low | 35.4 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -140.1 | 129.7 | 148.7 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 472 | T | 34.3 | Very low | 34.5 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -88.3 | 149.7 | -179.2 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 473 | A | 34.3 | Very low | 33.6 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -82.9 | 133.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 474 | R | 34.5 | Very low | 33.1 | Very low | 252 Ų | 252 | 134.3 Ų | 134.3 | 95% | 0.951 | 77% | 0.772 | S | S | * | * | trans | -159.4 | 128.5 | 156.6 | -102.5 | 167.2 | -176.9 | 149.1 | 1.2 | 108 | ||||
| 475 | G | 30.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -102.8 | -153.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 476 | P | 48.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -130.5 | -157.6 | -6.9 | 39.8 | -21.3 | 0 | 0 | 0 | 112.7 | ||||
| 477 | L | 30 | Very low | 32.4 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | 74.4 | 157.9 | 173.7 | -57.6 | 127.1 | 0 | 0 | 0 | 117.1 | ||||
| 478 | A | 28.7 | Very low | 32.2 | Very low | 78 Ų | 78 | 132 Ų | 132 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | cis | -172.9 | 177.3 | -35.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 479 | V | 29.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 78 | 111.6 | 154.2 | 175.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 480 | H | 28.8 | Very low | 32.5 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 64 | 144.1 | 144.7 | -74.6 | -121.8 | 0 | 0 | 0 | 120.8 | ||||
| 481 | L | 26.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | 67.5 | 132.8 | 58.5 | -115.5 | 78 | 0 | 0 | 0 | 112 | |||||
| 482 | T | 29.2 | Very low | 32.3 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | cis | -157.1 | 161.3 | 17.4 | -32.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 483 | T | 28.1 | Very low | 32 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -33 | 139.8 | 164.6 | -27.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 484 | R | 29.4 | Very low | 31.9 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | 167.1 | 143.8 | 112.2 | -95.3 | -172.5 | 161.8 | -134.8 | -2.6 | 117.8 | |||||
| 485 | L | 28.1 | Very low | 31.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 60.8 | 145.8 | 149.9 | -89.1 | 64.2 | 0 | 0 | 0 | 122 | ||||
| 486 | G | 27.9 | Very low | 31.7 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -106 | -141.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 487 | P | 43.9 | Very low | 31.4 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -137.4 | -144.4 | 4.9 | 41.5 | -20.1 | 0 | 0 | 0 | 113.6 | ||||
| 488 | V | 30.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 96.7 | 135.5 | 167.8 | -172.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 489 | P | 43.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -113 | 165.7 | -174.6 | 42.3 | -34.2 | 0 | 0 | 0 | 115.8 | ||||
| 490 | V | 31 | Very low | 31.6 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -144.6 | 146.8 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 491 | N | 29 | Very low | 31.8 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -82.9 | 156.3 | 176.2 | -89 | -24.4 | 0 | 0 | 0 | 113.8 | ||||
| 492 | G | 29.7 | Very low | 31.9 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | -172.7 | 121.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 493 | H | 28.5 | Very low | 32 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -102.6 | 148 | 174.8 | -86.9 | -80.8 | 0 | 0 | 0 | 112.2 | ||||
| 494 | R | 31.6 | Very low | 32.3 | Very low | 227 Ų | 227 | 140.7 Ų | 140.7 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -162.7 | 116 | 148.8 | -123.2 | 170.8 | 161.9 | 167 | -6.2 | 116 | ||||
| 495 | N | 29.5 | Very low | 32.3 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | 55.8 | 111.5 | 139.8 | -56.4 | 8.1 | 0 | 0 | 0 | 124 | ||||
| 496 | L | 32 | Very low | 32.4 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | 36.3 | 163.1 | 113.6 | -97.2 | 78.7 | 0 | 0 | 0 | 122.6 | |||||
| 497 | P | 42.5 | Very low | 32.4 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | cis | -145.9 | 177.8 | 32.1 | 42.7 | -22.2 | 0 | 0 | 0 | 120.5 | ||||
| 498 | G | 30.5 | Very low | 31.9 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 137.1 | 95.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 499 | Y | 30.5 | Very low | 31.7 | Very low | 215 Ų | 215 | 140.6 Ų | 140.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | 64.7 | 125.8 | 78.8 | -137.1 | -116.7 | 0 | 0 | 0 | 113.4 | |||||
| 500 | V | 32.1 | Very low | 31.2 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | cis | -134.8 | -172.7 | 46.4 | 176.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 501 | K | 33.4 | Very low | 31.8 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -141 | 149.3 | -157.6 | 173.8 | -160.2 | 173.6 | -171.3 | 0 | 114.4 | ||||
| 502 | N | 29.5 | Very low | 31.7 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | 165.3 | 141.3 | 137.1 | -83.2 | -13.4 | 0 | 0 | 0 | 110.3 | ||||
| 503 | G | 29.6 | Very low | 31.6 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 117.2 | 136.7 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 504 | S | 34.6 | Very low | 31.4 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | cis | -123.6 | -143.6 | 5.1 | 39.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 505 | V | 29.5 | Very low | 31.2 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -147.7 | 162.5 | 13.8 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 506 | S | 29.7 | Very low | 31 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -164.9 | 155.9 | 179.4 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 507 | E | 29.8 | Very low | 30.8 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -159.4 | 114.7 | 154.7 | -106.3 | 156 | -156.6 | 0 | 0 | 108.3 | ||||
| 508 | N | 32.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 69.5 | 115.2 | 81.5 | -66.1 | -23.8 | 0 | 0 | 0 | 113.5 | |||||
| 509 | S | 26.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | -165.7 | -170.8 | 72.7 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 510 | V | 32.7 | Very low | 30.4 | Very low | 136 Ų | 136 | 132 Ų | 132 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -136.5 | -164 | -156.7 | -141.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 511 | P | 44.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -132.1 | -177.4 | -116.1 | 46.3 | -29 | 0 | 0 | 0 | 120.1 | |||||
| 512 | S | 26.6 | Very low | 29.8 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 101.7 | 147.1 | 134.3 | -162.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 513 | S | 26.6 | Very low | 29.8 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 63.3 | 146.2 | 171.9 | 58 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 514 | G | 25.7 | Very low | 29.6 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | cis | 141.2 | 144.3 | -0.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 515 | Q | 27.6 | Very low | 29.2 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | cis | -175.2 | 178.2 | -2.2 | 168.7 | 167.3 | -9.3 | 0 | 0 | 105.6 | ||||
| 516 | E | 25.3 | Very low | 29.1 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 86.1 | 124.4 | -179.4 | -51.9 | -169.3 | 105.5 | 0 | 0 | 115.1 | ||||
| 517 | L | 27.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | 81.4 | 135.1 | 61.1 | -123.6 | 65 | 0 | 0 | 0 | 112.6 | |||||
| 518 | H | 22.7 | Very low | 28.7 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | cis | -147.4 | 156.4 | 21.6 | -156.1 | -71.7 | 0 | 0 | 0 | 113.8 | ||||
| 519 | I | 28.8 | Very low | 28.3 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 161.2 | 172.5 | 32.8 | 166.3 | 0 | 0 | 0 | 112.5 | ||||
| 520 | P | 42.3 | Very low | 29.2 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | -146.1 | -151.8 | 53.6 | 38.5 | -12.6 | 0 | 0 | 0 | 114.5 | |||||
| 521 | E | 27.6 | Very low | 28.9 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | cis | -160.5 | -164.5 | 6.7 | -153.7 | 60.6 | -79.5 | 0 | 0 | 111.2 | ||||
| 522 | E | 27.2 | Very low | 28.1 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | 95 | 139.1 | 161.7 | -73.5 | -159.7 | 135.5 | 0 | 0 | 123.5 | ||||
| 523 | E | 28.6 | Very low | 28.2 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -90 | -163.9 | -169 | -49.4 | -177.3 | 83 | 0 | 0 | 113.7 | ||||
| 524 | Q | 25.7 | Very low | 28.2 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | cis | -165.4 | 158.9 | -0.3 | -142.4 | 177.5 | 65 | 0 | 0 | 110.3 | ||||
| 525 | S | 25.1 | Very low | 28.3 | Very low | 113 Ų | 113 | 153.5 Ų | 153.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 63.8 | 176.9 | 153.9 | 82 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 526 | A | 27.1 | Very low | 28.9 | Very low | 85 Ų | 85 | 149.7 Ų | 149.7 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | -160.7 | 150.8 | -52.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 527 | Q | 26.7 | Very low | 29 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | 45.5 | 125.9 | 141.2 | -168.3 | 175.3 | 4.1 | 0 | 0 | 122.8 | ||||
| 528 | T | 24.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | 164.5 | 163.5 | 131.1 | -72 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 529 | R | 24.3 | Very low | 29.7 | Very low | 228 Ų | 228 | 143.4 Ų | 143.4 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -138.8 | -172.8 | -174 | -124.5 | -173.4 | -167.9 | -163.8 | 7.1 | 108.2 | ||||
| 530 | P | 45.2 | Very low | 29.7 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -135.2 | -138.7 | -14.8 | 30 | -2.8 | 0 | 0 | 0 | 112 | ||||
| 531 | I | 26.9 | Very low | 29 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 83.9 | 131.1 | 158.4 | -69.8 | 163.4 | 0 | 0 | 0 | 116 | ||||
| 532 | V | 29 | Very low | 29.1 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | cis | -149 | -171.9 | 2.3 | 102.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 533 | E | 27.5 | Very low | 29.3 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -50.5 | 165 | -172.7 | -62.5 | 148.7 | 122.7 | 0 | 0 | 118.2 | ||||
| 534 | E | 26.9 | Very low | 29.3 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | -156.1 | 172.8 | 78.7 | -121.8 | -177.2 | 165.2 | 0 | 0 | 117.2 | |||||
| 535 | K | 27.3 | Very low | 29.7 | Very low | 177 Ų | 177 | 152 Ų | 152 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -153 | 163.3 | 179.5 | -138.4 | -154.9 | 159.9 | -170.3 | 0 | 106.6 | ||||
| 536 | P | 39.8 | Very low | 30 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -148.8 | -170.6 | 15.6 | 45.9 | -23.9 | 0 | 0 | 0 | 119.4 | ||||
| 537 | T | 28.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 154.3 Ų | 154.3 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | trans | -32.6 | 156.5 | 161.3 | 45.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 538 | P | 38.7 | Very low | 30.6 | Very low | 118 Ų | 118 | 157.6 Ų | 157.6 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | -156.5 | 169.2 | 62.8 | 43.3 | -22 | 0 | 0 | 0 | 122 | |||||
| 539 | V | 25.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 158.9 Ų | 158.9 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | trans | 42.1 | 129.5 | 143.3 | 176.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 540 | V | 28 | Very low | 31.2 | Very low | 145 Ų | 145 | 155.2 Ų | 155.2 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -135.4 | 147.6 | 141.9 | 176 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 541 | E | 28.7 | Very low | 30.4 | Very low | 178 Ų | 178 | 158.4 Ų | 158.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -126.9 | 142.4 | -179.5 | -176.9 | 168.2 | -155.9 | 0 | 0 | 107 | ||||
| 542 | E | 29.8 | Very low | 30.6 | Very low | 196 Ų | 196 | 158.7 Ų | 158.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -124.3 | 134 | -176.7 | -166.9 | 174 | 176.4 | 0 | 0 | 112.1 | ||||
| 543 | E | 30.5 | Very low | 30.7 | Very low | 172 Ų | 172 | 161.4 Ų | 161.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -104.7 | 149.2 | -166.7 | 174.4 | -178 | -147.7 | 0 | 0 | 111.4 | ||||
| 544 | R | 29.4 | Very low | 31 | Very low | 249 Ų | 249 | 161 Ų | 161 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | -153.5 | 116.1 | 164.4 | -151.4 | 173.2 | -148.4 | -98.3 | -2 | 113.2 | ||||
| 545 | E | 33.7 | Very low | 31.2 | Very low | 153 Ų | 153 | 158.6 Ų | 158.6 | 72% | 0.715 | 82% | 0.818 | S | S | * | * | trans | -117.8 | 153.2 | -177.5 | -143.2 | -166.8 | -155.4 | 0 | 0 | 112.9 | ||||
| 546 | T | 30.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 157.2 Ų | 157.2 | 71% | 0.712 | 82% | 0.821 | S | S | * | * | trans | 61.7 | 133.4 | 163.3 | 70.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 547 | V | 32.9 | Very low | 30.9 | Very low | 129 Ų | 129 | 161.6 Ų | 161.6 | 78% | 0.782 | 83% | 0.833 | S | S | * | * | -146.3 | 134.6 | 111.4 | 161.9 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 548 | M | 33.8 | Very low | 31.1 | Very low | 249 Ų | 249 | 166.2 Ų | 166.2 | 100% | 1.227 | 85% | 0.847 | S | S | * | * | trans | 2.6 | 0 | 167.6 | -65 | 175.9 | -72.3 | 0 | 0 | 118.9 |
Retrieved 548 of 548 residues in 1614.7 ms
(Link to these results)