| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.3 | Very low | 38.9 | Very low | 245 Ų | 245 | 147 Ų | 147 | 100% | 1.207 | 80% | 0.798 | S | S | * | * | 0 | 113.4 | 0 | -69.6 | 159.3 | 68.8 | 0 | 0 | 108.3 | |||||
| 2 | G | 34.5 | Very low | 38.8 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -89.7 | 141.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | K | 35.3 | Very low | 39 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | -109.1 | 111.3 | 167.5 | -76.2 | -173.8 | 175.4 | -178.1 | 0 | 108.6 | ||||
| 4 | S | 38.5 | Very low | 39.7 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 133.4 | 172.4 | 37.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 5 | I | 44.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 128.9 | 170.7 | -61 | 174.4 | 0 | 0 | 0 | 107.4 | Q7 | I5-Q7 PolarHBondContact O-N 3Š|
| 6 | P | 40.2 | Very low | 39.9 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -74 | 126.7 | -175.5 | 28.5 | -33.9 | 0 | 0 | 0 | 111.9 | Y8 | P6-Y8 PolarHBondContact O-N 3.48Š|
| 7 | Q | 42.6 | Very low | 40 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 91% | 0.907 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 12.4 | -176.6 | -66.4 | 176 | -43.7 | 0 | 0 | 114.9 | I5 L9 | I5-Q7 PolarHBondContact O-N 3Å; Q7-L9 PolarHBondContact O-N 2.86Å |
| 8 | Y | 39.5 | Very low | 40.4 | Very low | 191 Ų | 191 | 135 Ų | 135 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -10.1 | -163.3 | -134.2 | -96.5 | 0 | 0 | 0 | 115.5 | P6 | P6-Y8 PolarHBondContact O-N 3.48Š|
| 9 | L | 38.6 | Very low | 40.7 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -81.1 | -34.3 | -177.4 | -79.3 | 164.7 | 0 | 0 | 0 | 113.7 | Q7 Q11 | Q7-L9 PolarHBondContact O-N 2.86Å; L9-Q11 VanDerWaalsContact C-N 3.26Å; L9-Q11 PolarHBondContact O-N 2.99Å |
| 10 | G | 37.2 | Very low | 41.1 | Very low | 51 Ų | 51 | 130.4 Ų | 130.4 | 53% | 0.526 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -68.2 | -19.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 11 | Q | 38.8 | Very low | 41.4 | Very low | 124 Ų | 124 | 130 Ų | 130 | 58% | 0.579 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -88 | -14.7 | -172.8 | -144.6 | 177 | 33.6 | 0 | 0 | 114 | L9 | L9-Q11 VanDerWaalsContact C-N 3.26Å; L9-Q11 PolarHBondContact O-N 2.99Å |
| 12 | L | 37.1 | Very low | 41.9 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 53% | 0.534 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -83.7 | -41.6 | -179.7 | -83.4 | 161.9 | 0 | 0 | 0 | 112.7 | R15 K16 | L12-R15 PolarHBondContact O-N 3.3Å; L12-K16 PolarHBondContact O-N 3.07Å; L12-K16 VanDerWaalsContact O-N 3.08Å |
| 13 | D | 41.5 | Very low | 43 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.6 | -35.4 | 179.8 | -79.1 | -23.9 | 0 | 0 | 0 | 112.6 | R15 K16 S17 | D13-R15 VanDerWaalsContact C-N 3.29Å; D13-R15 PolarHBondContact O-N 2.93Å; D13-K16 PolarHBondContact O-N 2.86Å; D13-S17 VanDerWaalsContact O-CB 3.22Å; D13-S17 WeakPolarHBondContact O-CB 3.36Å; D13-S17 PolarHBondContact O-N 2.7Å |
| 14 | I | 48.8 | Very low | 43.8 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 59% | 0.585 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.2 | -41.6 | 174.4 | -60.4 | 172 | 0 | 0 | 0 | 110.4 | S17 V18 | I14-S17 PolarHBondContact O-N 3.29Å; I14-V18 HydrophobicContact CG2-CG2 4.38Å; I14-V18 WeakPolarHBondContact O-CB 3.43Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.38Å; I14-V18 PolarHBondContact O-N 3.29Å |
| 15 | R | 42.9 | Very low | 44.9 | Very low | 180 Ų | 180 | 110.2 Ų | 110.2 | 68% | 0.679 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.4 | -43.2 | 177.3 | -71.4 | -174.9 | 177.7 | -163.4 | 0.4 | 112.2 | L12 D13 S17 V19 | L12-R15 PolarHBondContact O-N 3.3Å; D13-R15 VanDerWaalsContact C-N 3.29Å; D13-R15 PolarHBondContact O-N 2.93Å; R15-S17 VanDerWaalsContact C-N 3.35Å; R15-V19 WeakPolarHBondContact O-CB 3.5Å; R15-V19 VanDerWaalsContact O-CG2 3.3Å; R15-V19 WeakPolarHBondContact O-CG2 3.16Å; R15-V19 PolarHBondContact O-N 2.93Å |
| 16 | K | 40.3 | Very low | 45.5 | Very low | 147 Ų | 147 | 104.5 Ų | 104.5 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.3 | -43.1 | 173.7 | -72.2 | 179.3 | 178.8 | 175.8 | 0 | 112 | L12 D13 V19 S20 | L12-K16 PolarHBondContact O-N 3.07Å; L12-K16 VanDerWaalsContact O-N 3.08Å; D13-K16 PolarHBondContact O-N 2.86Å; K16-V19 PolarHBondContact O-N 3.27Å; K16-S20 WeakPolarHBondContact O-CB 3.3Å; K16-S20 PolarHBondContact O-N 2.74Å |
| 17 | S | 41.8 | Very low | 46.7 | Very low | 71 Ų | 71 | 101.6 Ų | 101.6 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.1 | -48.2 | 179.7 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | D13 I14 R15 V19 S20 L21 | D13-S17 VanDerWaalsContact O-CB 3.22Å; D13-S17 WeakPolarHBondContact O-CB 3.36Å; D13-S17 PolarHBondContact O-N 2.7Å; I14-S17 PolarHBondContact O-N 3.29Å; R15-S17 VanDerWaalsContact C-N 3.35Å; S17-V19 PolarHBondContact O-N 2.85Å; S17-S20 WeakPolarHBondContact O-CB 3.13Å; S17-S20 PolarHBondContact O-N 2.71Å; S17-L21 WeakPolarHBondContact O-CB 3.2Å; S17-L21 PolarHBondContact O-N 3.46Å |
| 18 | V | 46.2 | Very low | 48.1 | Very low | 90 Ų | 90 | 98.2 Ų | 98.2 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.8 | -40.1 | 177.3 | 170.6 | 0 | 0 | 0 | 0 | 112.3 | I14 L21 A22 | I14-V18 HydrophobicContact CG2-CG2 4.38Å; I14-V18 WeakPolarHBondContact O-CB 3.43Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.38Å; I14-V18 PolarHBondContact O-N 3.29Å; V18-L21 PolarHBondContact O-N 2.7Å; V18-A22 WeakPolarHBondContact O-CB 3.4Å; V18-A22 PolarHBondContact O-N 3Å |
| 19 | V | 46.9 | Very low | 49.7 | Very low | 94 Ų | 94 | 95.7 Ų | 95.7 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 111 | R15 K16 S17 L21 A22 T23 | R15-V19 WeakPolarHBondContact O-CB 3.5Å; R15-V19 VanDerWaalsContact O-CG2 3.3Å; R15-V19 WeakPolarHBondContact O-CG2 3.16Å; R15-V19 PolarHBondContact O-N 2.93Å; K16-V19 PolarHBondContact O-N 3.27Å; S17-V19 PolarHBondContact O-N 2.85Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.2Å; V19-A22 PolarHBondContact O-N 2.77Å; V19-T23 PolarHBondContact O-N 2.71Å; V19-T23 PolarHBondContact O-OG1 2.86Å; V19-T23 VanDerWaalsContact O-OG1 3.13Å |
| 20 | S | 47.4 | Very low | 51 | Low | 84 Ų | 84 | 89.4 Ų | 89.4 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | K16 S17 T23 G24 | K16-S20 WeakPolarHBondContact O-CB 3.3Å; K16-S20 PolarHBondContact O-N 2.74Å; S17-S20 WeakPolarHBondContact O-CB 3.13Å; S17-S20 PolarHBondContact O-N 2.71Å; S20-T23 PolarHBondContact O-N 3.48Å; S20-G24 PolarHBondContact O-N 3.27Å |
| 21 | L | 47.8 | Very low | 52.6 | Low | 121 Ų | 121 | 90.7 Ų | 90.7 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 178.8 | -128.3 | 161.7 | 0 | 0 | 0 | 112.2 | S17 V18 V19 G24 A25 | S17-L21 WeakPolarHBondContact O-CB 3.2Å; S17-L21 PolarHBondContact O-N 3.46Å; V18-L21 PolarHBondContact O-N 2.7Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.2Å; L21-G24 PolarHBondContact O-N 3.1Å; L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.35Å; L21-A25 PolarHBondContact O-N 2.85Å |
| 22 | A | 49.7 | Very low | 54.4 | Low | 62 Ų | 62 | 90.6 Ų | 90.6 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V18 V19 A25 G26 | V18-A22 WeakPolarHBondContact O-CB 3.4Å; V18-A22 PolarHBondContact O-N 3Å; V19-A22 PolarHBondContact O-N 2.77Å; A22-A25 PolarHBondContact O-N 3.17Å; A22-G26 PolarHBondContact O-N 2.96Å |
| 23 | T | 55.9 | Low | 56 | Low | 88 Ų | 88 | 88.8 Ų | 88.8 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.6 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | V19 S20 G26 A27 | V19-T23 PolarHBondContact O-N 2.71Å; V19-T23 PolarHBondContact O-OG1 2.86Å; V19-T23 VanDerWaalsContact O-OG1 3.13Å; S20-T23 PolarHBondContact O-N 3.48Å; T23-G26 PolarHBondContact O-N 3.09Å; T23-A27 WeakPolarHBondContact O-CB 3.32Å; T23-A27 PolarHBondContact O-N 3.38Å |
| 24 | G | 52.8 | Low | 57.1 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 32% | 0.32 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | S20 L21 G26 A27 I28 | S20-G24 PolarHBondContact O-N 3.27Å; L21-G24 PolarHBondContact O-N 3.1Å; G24-G26 VanDerWaalsContact C-N 3.35Å; G24-G26 PolarHBondContact O-N 2.56Å; G24-A27 PolarHBondContact O-N 2.73Å; G24-I28 WeakPolarHBondContact O-CB 3.49Å; G24-I28 WeakPolarHBondContact O-CD1 3.38Å; G24-I28 VanDerWaalsContact O-CG1 3.25Å; G24-I28 WeakPolarHBondContact O-CG1 3.34Å; G24-I28 PolarHBondContact O-N 3.33Å |
| 25 | A | 61.7 | Low | 58.1 | Low | 55 Ų | 55 | 82.3 Ų | 82.3 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L21 A22 I28 Y29 | L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.35Å; L21-A25 PolarHBondContact O-N 2.85Å; A22-A25 PolarHBondContact O-N 3.17Å; A25-I28 PolarHBondContact O-N 2.93Å; A25-Y29 WeakPolarHBondContact O-CB 3.49Å; A25-Y29 PolarHBondContact O-N 3.02Å |
| 26 | G | 58.3 | Low | 59.1 | Low | 32 Ų | 32 | 78.6 Ų | 78.6 | 33% | 0.33 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A22 T23 G24 I28 Y29 L30 | A22-G26 PolarHBondContact O-N 2.96Å; T23-G26 PolarHBondContact O-N 3.09Å; G24-G26 VanDerWaalsContact C-N 3.35Å; G24-G26 PolarHBondContact O-N 2.56Å; G26-I28 PolarHBondContact O-N 3.15Å; G26-Y29 PolarHBondContact O-N 2.95Å; G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.04Å |
| 27 | A | 65.3 | Low | 60.2 | Low | 46 Ų | 46 | 73.5 Ų | 73.5 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T23 G24 Y29 L30 L31 | T23-A27 WeakPolarHBondContact O-CB 3.32Å; T23-A27 PolarHBondContact O-N 3.38Å; G24-A27 PolarHBondContact O-N 2.73Å; A27-Y29 VanDerWaalsContact C-N 3.35Å; A27-Y29 PolarHBondContact O-N 3.21Å; A27-L30 PolarHBondContact O-N 2.97Å; A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.21Å; A27-L31 PolarHBondContact O-N 2.89Å |
| 28 | I | 70.8 | Confident | 60.4 | Low | 123 Ų | 123 | 72.4 Ų | 72.4 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 174.9 | -69.3 | 164.7 | 0 | 0 | 0 | 111 | G24 A25 G26 Y32 | G24-I28 WeakPolarHBondContact O-CB 3.49Å; G24-I28 WeakPolarHBondContact O-CD1 3.38Å; G24-I28 VanDerWaalsContact O-CG1 3.25Å; G24-I28 WeakPolarHBondContact O-CG1 3.34Å; G24-I28 PolarHBondContact O-N 3.33Å; A25-I28 PolarHBondContact O-N 2.93Å; G26-I28 PolarHBondContact O-N 3.15Å; I28-Y32 VanDerWaalsContact O-CB 3.31Å; I28-Y32 WeakPolarHBondContact O-CB 3.37Å; I28-Y32 PolarHBondContact O-N 3.3Å |
| 29 | Y | 73.5 | Confident | 60.5 | Low | 137 Ų | 137 | 74.7 Ų | 74.7 | 54% | 0.537 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 176.8 | 178.3 | -105.7 | 0 | 0 | 0 | 112.7 | A25 G26 A27 Y32 K33 | A25-Y29 WeakPolarHBondContact O-CB 3.49Å; A25-Y29 PolarHBondContact O-N 3.02Å; G26-Y29 PolarHBondContact O-N 2.95Å; A27-Y29 VanDerWaalsContact C-N 3.35Å; A27-Y29 PolarHBondContact O-N 3.21Å; Y29-Y32 PolarHBondContact O-N 2.7Å; Y29-K33 WeakPolarHBondContact O-CB 3.21Å; Y29-K33 PolarHBondContact O-N 3.25Å |
| 30 | L | 65.6 | Low | 60.2 | Low | 16 Ų | 16 | 78 Ų | 78 | 8% | 0.084 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.4 | -72.2 | 169.8 | 0 | 0 | 0 | 111.5 | G26 A27 Y32 K33 A34 V325 Q333 I334 | G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.04Å; A27-L30 PolarHBondContact O-N 2.97Å; L30-Y32 PolarHBondContact O-N 2.93Å; L30-K33 PolarHBondContact O-N 3.44Å; L30-A34 WeakPolarHBondContact O-CB 3.14Å; L30-A34 PolarHBondContact O-N 3.47Å; L30-V325 HydrophobicContact CD1-CG1 4.47Å; L30-Q333 HydrophobicContact CD1-CB 4.39Å; L30-Q333 HydrophobicContact CD2-CB 4.46Å; L30-I334 HydrophobicContact CD2-CG1 4.27Å |
| 31 | L | 70.6 | Confident | 59.6 | Low | 78 Ų | 78 | 79 Ų | 79 | 41% | 0.408 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175 | -174 | 66.2 | 0 | 0 | 0 | 111.3 | A27 K33 A34 I35 V341 | A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.21Å; A27-L31 PolarHBondContact O-N 2.89Å; L31-K33 PolarHBondContact O-N 3.11Å; L31-A34 PolarHBondContact O-N 3.02Å; L31-I35 HydrophobicContact CD1-CD1 4.3Å; L31-I35 HydrophobicContact CG-CD1 3.98Å; L31-I35 WeakPolarHBondContact O-CB 3.47Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.47Å; L31-I35 PolarHBondContact O-N 3.02Å; L31-V341 HydrophobicContact CD1-CG2 3.84Å |
| 32 | Y | 76.6 | Confident | 59.1 | Low | 122 Ų | 122 | 82 Ų | 82 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 172.3 | 169.9 | -97.8 | 0 | 0 | 0 | 112.2 | I28 Y29 L30 K36 | I28-Y32 VanDerWaalsContact O-CB 3.31Å; I28-Y32 WeakPolarHBondContact O-CB 3.37Å; I28-Y32 PolarHBondContact O-N 3.3Å; Y29-Y32 PolarHBondContact O-N 2.7Å; L30-Y32 PolarHBondContact O-N 2.93Å; Y32-K36 HydrophobicContact CE1-CD 3.71Å; Y32-K36 WeakPolarHBondContact O-CB 3.34Å; Y32-K36 PolarHBondContact O-N 3.32Å; Y32-K36 PolarHBondContact OH-NZ 2.83Å |
| 33 | K | 70.8 | Confident | 58.3 | Low | 64 Ų | 64 | 84.8 Ų | 84.8 | 28% | 0.278 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 178 | -171.4 | 174.2 | 175.9 | -178.8 | 0 | 111.3 | Y29 L30 L31 K36 A37 E330 I334 | Y29-K33 WeakPolarHBondContact O-CB 3.21Å; Y29-K33 PolarHBondContact O-N 3.25Å; L30-K33 PolarHBondContact O-N 3.44Å; L31-K33 PolarHBondContact O-N 3.11Å; K33-K36 PolarHBondContact O-N 3.48Å; K33-A37 WeakPolarHBondContact O-CB 3.33Å; K33-A37 PolarHBondContact O-N 2.69Å; K33-E330 IonicContact NZ-OE1 2.66Å; K33-E330 PolarHBondContact NZ-OE1 3.02Å; K33-E330 IonicContact NZ-OE2 3.9Å; K33-E330 PolarHBondContact NZ-OE2 3.4Å; K33-I334 HydrophobicContact CD-CD1 3.95Å; K33-I334 HydrophobicContact CD-CG1 4.4Å |
| 34 | A | 66.5 | Low | 57.3 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 5% | 0.05 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L30 L31 K36 A37 G38 C337 K338 | L30-A34 WeakPolarHBondContact O-CB 3.14Å; L30-A34 PolarHBondContact O-N 3.47Å; L31-A34 PolarHBondContact O-N 3.02Å; A34-K36 VanDerWaalsContact C-N 3.32Å; A34-K36 PolarHBondContact O-N 2.97Å; A34-A37 WeakPolarHBondContact O-CB 3.35Å; A34-A37 PolarHBondContact O-N 2.94Å; A34-A37 VanDerWaalsContact O-N 3.12Å; A34-G38 PolarHBondContact O-N 3.24Å; A34-C337 HydrophobicContact CB-CB 4.02Å; A34-K338 HydrophobicContact CB-CG 4.42Å |
| 35 | I | 68.9 | Low | 56.3 | Low | 82 Ų | 82 | 92 Ų | 92 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.5 | -69.1 | 166.8 | 0 | 0 | 0 | 110.7 | L31 A37 G38 I39 | L31-I35 HydrophobicContact CD1-CD1 4.3Å; L31-I35 HydrophobicContact CG-CD1 3.98Å; L31-I35 WeakPolarHBondContact O-CB 3.47Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.47Å; L31-I35 PolarHBondContact O-N 3.02Å; I35-A37 VanDerWaalsContact C-N 3.29Å; I35-A37 PolarHBondContact O-N 3.49Å; I35-G38 PolarHBondContact O-N 3.34Å; I35-I39 HydrophobicContact CG2-CD1 3.64Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 WeakPolarHBondContact O-CB 3.49Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.37Å; I35-I39 PolarHBondContact O-N 3.04Å |
| 36 | K | 64.3 | Low | 54.7 | Low | 101 Ų | 101 | 94.6 Ų | 94.6 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -26.5 | 177.7 | -172.5 | 176.4 | -170 | 170.7 | 0 | 113.5 | Y32 K33 A34 K40 | Y32-K36 HydrophobicContact CE1-CD 3.71Å; Y32-K36 WeakPolarHBondContact O-CB 3.34Å; Y32-K36 PolarHBondContact O-N 3.32Å; Y32-K36 PolarHBondContact OH-NZ 2.83Å; K33-K36 PolarHBondContact O-N 3.48Å; A34-K36 VanDerWaalsContact C-N 3.32Å; A34-K36 PolarHBondContact O-N 2.97Å; K36-K40 WeakPolarHBondContact O-CG 3.37Å |
| 37 | A | 63.7 | Low | 53.2 | Low | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.6 | -50.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K33 A34 I35 I39 K40 | K33-A37 WeakPolarHBondContact O-CB 3.33Å; K33-A37 PolarHBondContact O-N 2.69Å; A34-A37 WeakPolarHBondContact O-CB 3.35Å; A34-A37 PolarHBondContact O-N 2.94Å; A34-A37 VanDerWaalsContact O-N 3.12Å; I35-A37 VanDerWaalsContact C-N 3.29Å; I35-A37 PolarHBondContact O-N 3.49Å; A37-I39 PolarHBondContact O-N 3.15Å; A37-K40 WeakPolarHBondContact O-CB 3.47Å; A37-K40 PolarHBondContact O-N 2.89Å |
| 38 | G | 45.3 | Very low | 51.7 | Low | 48 Ų | 48 | 104.1 Ų | 104.1 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.6 | -41.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | A34 I35 K40 C41 | A34-G38 PolarHBondContact O-N 3.24Å; I35-G38 PolarHBondContact O-N 3.34Å; G38-K40 PolarHBondContact O-N 2.94Å; G38-C41 WeakPolarHBondContact O-CB 3.43Å; G38-C41 PolarHBondContact O-N 3.33Å; G38-C41 PolarHBondContact O-SG 3.42Å |
| 39 | I | 47.4 | Very low | 49.7 | Very low | 138 Ų | 138 | 103.1 Ų | 103.1 | 71% | 0.708 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -20.5 | 176.6 | -68.5 | 170.4 | 0 | 0 | 0 | 112.6 | I35 A37 | I35-I39 HydrophobicContact CG2-CD1 3.64Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 WeakPolarHBondContact O-CB 3.49Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.37Å; I35-I39 PolarHBondContact O-N 3.04Å; A37-I39 PolarHBondContact O-N 3.15Å |
| 40 | K | 41.9 | Very low | 48 | Very low | 164 Ų | 164 | 102.1 Ų | 102.1 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -1.7 | 177.8 | -82.1 | -173.5 | 170.2 | -166.1 | 0 | 114.5 | K36 A37 G38 K42 | K36-K40 WeakPolarHBondContact O-CG 3.37Å; A37-K40 WeakPolarHBondContact O-CB 3.47Å; A37-K40 PolarHBondContact O-N 2.89Å; G38-K40 PolarHBondContact O-N 2.94Å; K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 3.21Å |
| 41 | C | 34.6 | Very low | 46.3 | Very low | 105 Ų | 105 | 109.1 Ų | 109.1 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | trans | -70.4 | 76.7 | -179.7 | -67.6 | 0 | 0 | 0 | 0 | 113.3 | G38 | G38-C41 WeakPolarHBondContact O-CB 3.43Å; G38-C41 PolarHBondContact O-N 3.33Å; G38-C41 PolarHBondContact O-SG 3.42Å | ||
| 42 | K | 37.7 | Very low | 44.3 | Very low | 183 Ų | 183 | 110.9 Ų | 110.9 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.5 | 144.7 | -73.6 | -173 | 176.4 | -175.8 | 0 | 108.2 | K40 | K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 3.21Å |
| 43 | P | 32.8 | Very low | 42.4 | Very low | 121 Ų | 121 | 113.2 Ų | 113.2 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 126.1 | 178.9 | 24.6 | -33.9 | 0 | 0 | 0 | 110.1 | L45 | P43-L45 PolarHBondContact O-N 3.21Š|
| 44 | P | 34.5 | Very low | 40.3 | Very low | 111 Ų | 111 | 114.1 Ų | 114.1 | 72% | 0.721 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 123.4 | -179.4 | 28 | -33 | 0 | 0 | 0 | 110.3 | C46 | P44-C46 PolarHBondContact O-N 2.98Š|
| 45 | L | 32.4 | Very low | 38.6 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | trans | -70 | 114.4 | 160.6 | -73.7 | 168.4 | 0 | 0 | 0 | 107.5 | P43 T47 | P43-L45 PolarHBondContact O-N 3.21Å; L45-T47 PolarHBondContact O-N 3.47Å | ||
| 46 | C | 27.3 | Very low | 36.7 | Very low | 109 Ų | 109 | 130 Ų | 130 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -69.2 | 86.4 | -169.3 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | P44 N48 | P44-C46 PolarHBondContact O-N 2.98Å; C46-N48 PolarHBondContact O-N 3.23Å | ||
| 47 | T | 27.8 | Very low | 35 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -87.9 | 72.3 | 169.1 | 56.5 | 0 | 0 | 0 | 0 | 111 | L45 S49 | L45-T47 PolarHBondContact O-N 3.47Å; T47-S49 PolarHBondContact O-N 3.21Å | ||
| 48 | N | 32.7 | Very low | 33.4 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -74.3 | 91.9 | 173.9 | -74.4 | 6.4 | 0 | 0 | 0 | 110.5 | C46 | C46-N48 PolarHBondContact O-N 3.23Š| ||
| 49 | S | 29 | Very low | 32.7 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -115.8 | 127.1 | 169.5 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | T47 | T47-S49 PolarHBondContact O-N 3.21Š| ||
| 50 | P | 37.6 | Very low | 31.9 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 149.2 | 175.9 | 30 | -34 | 0 | 0 | 0 | 111.1 | C52 | P50-C52 PolarHBondContact O-N 2.95Š| ||
| 51 | I | 30.7 | Very low | 31.4 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -74.7 | 113.8 | 178.1 | -62.5 | 170.6 | 0 | 0 | 0 | 109.4 | ||||
| 52 | C | 29.1 | Very low | 31 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -92.3 | 127.9 | 168.5 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | P50 A54 | P50-C52 PolarHBondContact O-N 2.95Å; C52-A54 PolarHBondContact O-N 2.64Å; C52-A54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | I | 36.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -80.9 | 93.5 | 179.6 | -58.2 | 172.6 | 0 | 0 | 0 | 109.7 | ||||
| 54 | A | 26.8 | Very low | 30.5 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | trans | -159.4 | 100.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C52 | C52-A54 PolarHBondContact O-N 2.64Å; C52-A54 VanDerWaalsContact O-N 3.15Å | ||
| 55 | R | 30 | Very low | 30.2 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | 62 | 151.1 | 152.2 | -72.1 | -178.4 | 165.6 | 141.3 | -1.9 | 120.2 | ||||
| 56 | E | 29.2 | Very low | 30.1 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -71.6 | 143.2 | 173.1 | -61.6 | 154 | 117.6 | 0 | 0 | 111.3 | ||||
| 57 | C | 27.6 | Very low | 30.1 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -116.1 | 131 | 166.2 | -71.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 58 | P | 30.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 151.1 | 167.2 | -22.8 | 34.4 | 0 | 0 | 0 | 111.8 | ||
| 59 | G | 31 | Very low | 30 | Very low | 69 Ų | 69 | 143.2 Ų | 143.2 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 155.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | G61 | G59-G61 PolarHBondContact O-N 3.08Š|
| 60 | P | 30.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -80.7 | 117.8 | -177.9 | 31.7 | -33.2 | 0 | 0 | 0 | 111.6 | ||
| 61 | G | 31 | Very low | 29.7 | Very low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | 174.8 | 51.5 | 178 | 0 | 0 | 0 | 0 | 0 | 119.4 | G59 | G59-G61 PolarHBondContact O-N 3.08Š| ||
| 62 | E | 27.3 | Very low | 30.3 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.944 | 83% | 0.825 | S | S | * | * | trans | -157.7 | 155.9 | 149.7 | -120.9 | 161.8 | -164.7 | 0 | 0 | 112.7 | ||||
| 63 | R | 30.6 | Very low | 30.2 | Very low | 250 Ų | 250 | 144.7 Ų | 144.7 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -108.3 | 137.2 | 178.5 | -58.9 | 179.5 | -169 | 160 | 3.4 | 109.8 | ||||
| 64 | A | 27.6 | Very low | 30 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -130.9 | 147.2 | 158 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 65 | L | 30 | Very low | 30 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | trans | -75.2 | 156.3 | 176.9 | -98.7 | 74 | 0 | 0 | 0 | 111.3 | ||||
| 66 | P | 28.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | trans | -69.3 | 146.5 | 159.6 | 32.8 | -33.8 | 0 | 0 | 0 | 110.1 | ||||
| 67 | Q | 27.8 | Very low | 30.3 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -135.9 | 130.7 | 167.5 | -168.1 | 168.5 | 1.4 | 0 | 0 | 108.1 | ||||
| 68 | E | 27.4 | Very low | 30.5 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -81 | 150.6 | -173 | -67.8 | 176.7 | 96.4 | 0 | 0 | 112.8 | ||||
| 69 | A | 30.7 | Very low | 30.4 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | 45.6 | 142.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 70 | P | 31.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | cis | -146.1 | -178.6 | 38.7 | 42.2 | -22.1 | 0 | 0 | 0 | 117.4 | ||||
| 71 | A | 29.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | -110.5 | 171.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 72 | P | 43.4 | Very low | 31.4 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | cis | -113.7 | -152.5 | 13.1 | 27.9 | -2.5 | 0 | 0 | 0 | 110.1 | ||||
| 73 | E | 27.8 | Very low | 32 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | cis | -136.8 | -164.1 | 14 | -69.4 | -170.8 | 82.2 | 0 | 0 | 112.4 | ||||
| 74 | A | 30.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -117.8 | 148.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 75 | S | 28.3 | Very low | 32.8 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -156.1 | 165.2 | 147 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 76 | A | 33 | Very low | 32.9 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -112.9 | 151.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 77 | V | 32.2 | Very low | 33.5 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -163.1 | 145.9 | 142.2 | 136.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 78 | G | 31.5 | Very low | 34 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 151.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 79 | G | 29.2 | Very low | 34.7 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -137.9 | 158.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 80 | P | 34.4 | Very low | 35.4 | Very low | 135 Ų | 135 | 136 Ų | 136 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -72 | 150.9 | -166.5 | 27.8 | -35 | 0 | 0 | 0 | 114.3 | G82 | P80-G82 PolarHBondContact O-N 3.11Š| ||
| 81 | K | 44.6 | Very low | 36.3 | Very low | 205 Ų | 205 | 133.7 Ų | 133.7 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -62.9 | 98.3 | -178.5 | -66.7 | 176.6 | 177.6 | 178.4 | 0 | 112.3 | L83 | K81-L83 PolarHBondContact O-N 3.37Š| ||
| 82 | G | 32.9 | Very low | 37.8 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 122 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P80 A84 | P80-G82 PolarHBondContact O-N 3.11Å; G82-A84 PolarHBondContact O-N 2.87Å | ||
| 83 | L | 40.9 | Very low | 39.3 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -76.5 | 62.4 | 175.7 | -72.5 | 172.1 | 0 | 0 | 0 | 111.3 | K81 V85 | K81-L83 PolarHBondContact O-N 3.37Å; L83-V85 PolarHBondContact O-N 3.25Å; L83-V85 VanDerWaalsContact O-N 3.17Å | ||
| 84 | A | 32.5 | Very low | 42.1 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -66.5 | 108.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | G82 E86 | G82-A84 PolarHBondContact O-N 2.87Å; A84-E86 VanDerWaalsContact C-N 3.31Å; A84-E86 PolarHBondContact O-N 2.87Å | ||
| 85 | V | 41 | Very low | 45 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | -68.9 | 96.1 | 169.2 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | L83 R87 | L83-V85 PolarHBondContact O-N 3.25Å; L83-V85 VanDerWaalsContact O-N 3.17Å; V85-R87 PolarHBondContact O-N 2.78Å | ||
| 86 | E | 33.3 | Very low | 48.1 | Very low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -55.3 | 111.6 | 164.1 | -69.4 | -168.9 | 118 | 0 | 0 | 108 | A84 E88 | A84-E86 VanDerWaalsContact C-N 3.31Å; A84-E86 PolarHBondContact O-N 2.87Å; E86-E88 VanDerWaalsContact C-N 3.3Å; E86-E88 PolarHBondContact O-N 3.03Å | ||
| 87 | R | 41.6 | Very low | 51.1 | Low | 212 Ų | 212 | 120.4 Ų | 120.4 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | trans | -70 | 95.3 | 166.4 | -72.8 | -176.9 | 172.1 | -160.7 | -5 | 106.7 | V85 R89 | V85-R87 PolarHBondContact O-N 2.78Å; R87-R89 PolarHBondContact O-N 3.19Å | ||
| 88 | E | 37.4 | Very low | 54.2 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 58% | 0.584 | 65% | 0.647 | S | S | * | * | trans | -45.9 | 104.6 | 173.2 | -82.4 | -164.5 | 113.1 | 0 | 0 | 109.3 | E86 H90 R92 | E86-E88 VanDerWaalsContact C-N 3.3Å; E86-E88 PolarHBondContact O-N 3.03Å; E88-H90 PolarHBondContact O-N 2.83Å; E88-R92 IonicContact OE1-CZ 2.6Å; E88-R92 IonicContact OE1-NE 3.02Å; E88-R92 PolarHBondContact OE1-NE 3.1Å; E88-R92 IonicContact OE1-NH2 2.7Å; E88-R92 PolarHBondContact OE1-NH2 3.49Å; E88-R92 IonicContact OE2-CZ 3.72Å; E88-R92 IonicContact OE2-NE 2.71Å; E88-R92 PolarHBondContact OE2-NE 3.3Å; E88-R92 IonicContact OE2-NH2 3.57Å | ||
| 89 | R | 43.1 | Very low | 57.3 | Low | 241 Ų | 241 | 120.5 Ų | 120.5 | 91% | 0.909 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -82.3 | 45.2 | 173.6 | -67.6 | -162.5 | -174.9 | -159 | 7.1 | 110.8 | R87 | R87-R89 PolarHBondContact O-N 3.19Š|
| 90 | H | 44.7 | Very low | 60.5 | Low | 158 Ų | 158 | 118.2 Ų | 118.2 | 73% | 0.731 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -140 | 106.1 | 168.7 | -98.9 | 48.1 | 0 | 0 | 0 | 106.6 | E88 R92 | E88-H90 PolarHBondContact O-N 2.83Å; H90-R92 VanDerWaalsContact C-N 3.34Å; H90-R92 PolarHBondContact O-N 3.07Å |
| 91 | G | 51.3 | Low | 63.4 | Low | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 56% | 0.564 | S | S | * | * | trans | -67.6 | 96 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D93 | G91-D93 PolarHBondContact O-N 2.95Š| ||
| 92 | R | 59.3 | Low | 65.9 | Low | 182 Ų | 182 | 105.7 Ų | 105.7 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | trans | -60.9 | 123 | 167.7 | -56.4 | -178.7 | -172.3 | -136.7 | 0.8 | 106.9 | E88 H90 S94 | E88-R92 IonicContact OE1-CZ 2.6Å; E88-R92 IonicContact OE1-NE 3.02Å; E88-R92 PolarHBondContact OE1-NE 3.1Å; E88-R92 IonicContact OE1-NH2 2.7Å; E88-R92 PolarHBondContact OE1-NH2 3.49Å; E88-R92 IonicContact OE2-CZ 3.72Å; E88-R92 IonicContact OE2-NE 2.71Å; E88-R92 PolarHBondContact OE2-NE 3.3Å; E88-R92 IonicContact OE2-NH2 3.57Å; H90-R92 VanDerWaalsContact C-N 3.34Å; H90-R92 PolarHBondContact O-N 3.07Å; R92-S94 PolarHBondContact O-N 3.36Å; R92-S94 VanDerWaalsContact O-N 3.07Å | ||
| 93 | D | 75.5 | Confident | 68.8 | Low | 122 Ų | 122 | 104.6 Ų | 104.6 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | trans | -56.8 | 114 | 166 | 179.2 | 3.3 | 0 | 0 | 0 | 107.6 | G91 G95 | G91-D93 PolarHBondContact O-N 2.95Å; D93-G95 WeakPolarHBondContact OD1-CA 3.23Å; D93-G95 PolarHBondContact OD1-N 3.32Å | ||
| 94 | S | 85.9 | Confident | 71.3 | Confident | 50 Ų | 50 | 96.9 Ų | 96.9 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | trans | -80.8 | -15 | -179.8 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | R92 E96 R99 E130 | R92-S94 PolarHBondContact O-N 3.36Å; R92-S94 VanDerWaalsContact O-N 3.07Å; S94-E96 PolarHBondContact O-N 3.42Å; S94-E96 WeakPolarHBondContact OG-CB 3.32Å; S94-E96 PolarHBondContact OG-N 3.22Å; S94-E96 VanDerWaalsContact OG-N 3.15Å; S94-R99 VanDerWaalsContact O-CZ 3.23Å; S94-R99 PolarHBondContact O-NH1 3.48Å; S94-R99 PolarHBondContact O-NH2 2.85Å; S94-E130 VanDerWaalsContact CB-OE1 3.32Å; S94-E130 WeakPolarHBondContact CB-OE1 3.24Å; S94-E130 PolarHBondContact N-OE1 3.29Å; S94-E130 PolarHBondContact OG-OE1 2.89Å | ||
| 95 | G | 92 | Very high | 73.9 | Confident | 17 Ų | 17 | 99 Ų | 99 | 18% | 0.175 | 48% | 0.477 | C | S | . | . | S | Bend | trans | 67.3 | 4.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D93 R98 R99 | D93-G95 WeakPolarHBondContact OD1-CA 3.23Å; D93-G95 PolarHBondContact OD1-N 3.32Å; G95-R98 WeakPolarHBondContact O-CB 3.04Å; G95-R98 PolarHBondContact O-N 3.47Å; G95-R99 WeakPolarHBondContact O-CG 3.5Å; G95-R99 PolarHBondContact O-N 2.9Å |
| 96 | E | 94.5 | Very high | 76 | Confident | 77 Ų | 77 | 96.3 Ų | 96.3 | 36% | 0.36 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.1 | -42.2 | -167.2 | -168.1 | 63.3 | -170.2 | 0 | 0 | 112.2 | S94 R98 R99 L100 E130 | S94-E96 PolarHBondContact O-N 3.42Å; S94-E96 WeakPolarHBondContact OG-CB 3.32Å; S94-E96 PolarHBondContact OG-N 3.22Å; S94-E96 VanDerWaalsContact OG-N 3.15Å; E96-R98 PolarHBondContact O-N 3.4Å; E96-R99 PolarHBondContact O-N 3.39Å; E96-R99 IonicContact OE2-CZ 3.62Å; E96-R99 IonicContact OE2-NH1 3.44Å; E96-R99 PolarHBondContact OE2-NH1 3.21Å; E96-L100 HydrophobicContact CG-CD1 4.4Å; E96-L100 WeakPolarHBondContact O-CG 3.49Å; E96-L100 PolarHBondContact O-N 3.31Å; E96-E130 PolarHBondContact N-OE2 3.36Å |
| 97 | L | 95.9 | Very high | 78.5 | Confident | 1 Ų | 1 | 98.5 Ų | 98.5 | 1% | 0.005 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 173.7 | -178.6 | 59.6 | 0 | 0 | 0 | 111.3 | L100 L101 I120 C123 V124 E130 A131 F164 | L97-L100 PolarHBondContact O-N 3.29Å; L97-L101 HydrophobicContact CD1-CD1 4.37Å; L97-L101 HydrophobicContact CG-CD1 4.15Å; L97-L101 WeakPolarHBondContact O-CD1 3.39Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 3.14Å; L97-I120 HydrophobicContact CD1-CB 4.33Å; L97-I120 HydrophobicContact CD1-CG1 4.46Å; L97-I120 HydrophobicContact CD1-CG2 3.7Å; L97-C123 HydrophobicContact CB-CB 4.29Å; L97-C123 HydrophobicContact CD1-CB 3.9Å; L97-V124 HydrophobicContact CD1-CG2 4.21Å; L97-V124 HydrophobicContact CD2-CG2 4.39Å; L97-E130 HydrophobicContact CB-CB 4.05Å; L97-E130 WeakPolarHBondContact CB-OE2 3.46Å; L97-E130 HydrophobicContact CD2-CB 4.05Å; L97-E130 PolarHBondContact N-OE2 3.47Å; L97-A131 VanDerWaalsContact CD2-CA 3.45Å; L97-A131 HydrophobicContact CD2-CB 3.91Å; L97-F164 HydrophobicContact CD2-CZ 4.44Å |
| 98 | R | 96.3 | Very high | 80.8 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 176.1 | 179.3 | 52.7 | 58.7 | -157.2 | -5.1 | 112 | G95 E96 L100 L101 N102 D138 | G95-R98 WeakPolarHBondContact O-CB 3.04Å; G95-R98 PolarHBondContact O-N 3.47Å; E96-R98 PolarHBondContact O-N 3.4Å; R98-L100 PolarHBondContact O-N 2.91Å; R98-L101 PolarHBondContact O-N 2.87Å; R98-N102 WeakPolarHBondContact CD-OD1 3.44Å; R98-N102 WeakPolarHBondContact O-CB 3.48Å; R98-N102 PolarHBondContact O-N 3.19Å; R98-N102 PolarHBondContact O-OD1 3.07Å; R98-D138 IonicContact CZ-OD1 3.3Å; R98-D138 IonicContact CZ-OD2 3.42Å; R98-D138 IonicContact NH1-OD1 3.27Å; R98-D138 PolarHBondContact NH1-OD1 2.94Å; R98-D138 IonicContact NH1-OD2 2.71Å; R98-D138 IonicContact NH2-OD1 3.29Å; R98-D138 PolarHBondContact NH2-OD1 3.49Å; R98-D138 IonicContact NH2-OD2 3.82Å; R98-D138 PolarHBondContact NH2-OD2 3.01Å |
| 99 | R | 96.1 | Very high | 83.5 | Confident | 140 Ų | 140 | 90.3 Ų | 90.3 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.2 | -73.3 | 178.6 | -162.7 | 114.2 | 15.2 | 111.7 | S94 G95 E96 S103 | S94-R99 VanDerWaalsContact O-CZ 3.23Å; S94-R99 PolarHBondContact O-NH1 3.48Å; S94-R99 PolarHBondContact O-NH2 2.85Å; G95-R99 WeakPolarHBondContact O-CG 3.5Å; G95-R99 PolarHBondContact O-N 2.9Å; E96-R99 PolarHBondContact O-N 3.39Å; E96-R99 IonicContact OE2-CZ 3.62Å; E96-R99 IonicContact OE2-NH1 3.44Å; E96-R99 PolarHBondContact OE2-NH1 3.21Å; R99-S103 WeakPolarHBondContact O-CB 3.33Å; R99-S103 PolarHBondContact O-N 3.04Å; R99-S103 PolarHBondContact O-OG 3.4Å |
| 100 | L | 97.2 | Very high | 86 | Confident | 22 Ų | 22 | 80.7 Ų | 80.7 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | -179.6 | -70.6 | 169.7 | 0 | 0 | 0 | 111.9 | E96 L97 R98 S103 L104 I116 I120 | E96-L100 HydrophobicContact CG-CD1 4.4Å; E96-L100 WeakPolarHBondContact O-CG 3.49Å; E96-L100 PolarHBondContact O-N 3.31Å; L97-L100 PolarHBondContact O-N 3.29Å; R98-L100 PolarHBondContact O-N 2.91Å; L100-S103 WeakPolarHBondContact O-CB 3.45Å; L100-S103 PolarHBondContact O-N 3.33Å; L100-L104 PolarHBondContact O-N 2.87Å; L100-I116 HydrophobicContact CB-CG2 4.44Å; L100-I116 HydrophobicContact CD2-CG2 4.49Å; L100-I116 WeakPolarHBondContact O-CG2 3.28Å; L100-I120 HydrophobicContact CB-CD1 4.19Å; L100-I120 HydrophobicContact CB-CG1 3.58Å; L100-I120 HydrophobicContact CD1-CG1 4.29Å |
| 101 | L | 96.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -50.5 | 174.3 | -75.1 | 162.8 | 0 | 0 | 0 | 111.6 | L97 R98 S103 L104 E105 I120 C134 D138 L141 L142 | L97-L101 HydrophobicContact CD1-CD1 4.37Å; L97-L101 HydrophobicContact CG-CD1 4.15Å; L97-L101 WeakPolarHBondContact O-CD1 3.39Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 3.14Å; R98-L101 PolarHBondContact O-N 2.87Å; L101-S103 PolarHBondContact O-N 3.21Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 2.68Å; L101-E105 PolarHBondContact O-N 3.11Å; L101-I120 HydrophobicContact CD2-CD1 4.06Å; L101-I120 HydrophobicContact CG-CD1 4.3Å; L101-C134 VanDerWaalsContact CD1-SG 3.59Å; L101-D138 HydrophobicContact CD1-CB 4.1Å; L101-D138 HydrophobicContact CD2-CB 4.23Å; L101-L141 HydrophobicContact CD2-CD2 4.48Å; L101-L142 HydrophobicContact CD2-CD1 4.4Å; L101-L142 HydrophobicContact CD2-CG 4.44Å |
| 102 | N | 95.2 | Very high | 90.6 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62 | -28.4 | 177 | -65.2 | 17.9 | 0 | 0 | 0 | 112.3 | R98 L104 | R98-N102 WeakPolarHBondContact CD-OD1 3.44Å; R98-N102 WeakPolarHBondContact O-CB 3.48Å; R98-N102 PolarHBondContact O-N 3.19Å; R98-N102 PolarHBondContact O-OD1 3.07Å; N102-L104 VanDerWaalsContact C-N 3.3Å |
| 103 | S | 94.9 | Very high | 92.5 | Very high | 45 Ų | 45 | 71.6 Ų | 71.6 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.9 | -19.7 | 175.9 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | R99 L100 L101 Q108 | R99-S103 WeakPolarHBondContact O-CB 3.33Å; R99-S103 PolarHBondContact O-N 3.04Å; R99-S103 PolarHBondContact O-OG 3.4Å; L100-S103 WeakPolarHBondContact O-CB 3.45Å; L100-S103 PolarHBondContact O-N 3.33Å; L101-S103 PolarHBondContact O-N 3.21Å; S103-Q108 WeakPolarHBondContact O-CG 3.36Å; S103-Q108 PolarHBondContact O-NE2 3.17Å |
| 104 | L | 94 | Very high | 93.5 | Very high | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -83.7 | -24.2 | 177.4 | -166 | 68.3 | 0 | 0 | 0 | 112.5 | L100 L101 N102 C106 K113 I116 L117 I120 L141 L142 M145 | L100-L104 PolarHBondContact O-N 2.87Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 2.68Å; N102-L104 VanDerWaalsContact C-N 3.3Å; L104-C106 PolarHBondContact O-N 3.46Å; L104-K113 HydrophobicContact CD1-CB 4.25Å; L104-K113 HydrophobicContact CD1-CG 4.22Å; L104-I116 HydrophobicContact CB-CG2 4.15Å; L104-I116 HydrophobicContact CD1-CB 4.43Å; L104-I116 HydrophobicContact CD1-CG2 4.07Å; L104-L117 HydrophobicContact CD1-CD2 4.5Å; L104-L117 HydrophobicContact CD1-CG 4.14Å; L104-L117 HydrophobicContact CD2-CD2 3.73Å; L104-L117 HydrophobicContact CD2-CG 4.26Å; L104-I120 HydrophobicContact CD2-CD1 4.31Å; L104-L141 HydrophobicContact CB-CD2 4.48Å; L104-L141 HydrophobicContact CD2-CG 4.33Å; L104-L142 HydrophobicContact CD2-CD2 3.93Å; L104-M145 HydrophobicContact CD1-SD 4.15Å; L104-M145 HydrophobicContact CD2-CG 4.05Å; L104-M145 HydrophobicContact CD2-SD 4.33Å; L104-M145 HydrophobicContact CG-SD 4.2Å |
| 105 | E | 86.2 | Confident | 94.1 | Very high | 132 Ų | 132 | 67.9 Ų | 67.9 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69.6 | -23.6 | 171.7 | -59.3 | -176.8 | 153.4 | 0 | 0 | 112.4 | L101 L141 | L101-E105 PolarHBondContact O-N 3.11Å; E105-L141 HydrophobicContact CG-CD1 4.04Å; E105-L141 HydrophobicContact CG-CD2 3.63Å; E105-L141 HydrophobicContact CG-CG 4.5Å |
| 106 | C | 85.8 | Confident | 94.4 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 51% | 0.507 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -71 | 157.4 | 176.1 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | L104 Q108 | L104-C106 PolarHBondContact O-N 3.46Å; C106-Q108 PolarHBondContact O-N 3.06Å |
| 107 | K | 85 | Confident | 94.6 | Very high | 220 Ų | 220 | 64.4 Ų | 64.4 | 96% | 0.957 | 31% | 0.306 | S | S | * | . | trans | -70.9 | 91.9 | 171.3 | -72.9 | -171.7 | 177.7 | -177.9 | 0 | 111 | ||||
| 108 | Q | 89.3 | Confident | 94.7 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | trans | -97.2 | 158.3 | 172.7 | -57 | -63.8 | -2.5 | 0 | 0 | 111.3 | S103 C106 A112 K113 I116 | S103-Q108 WeakPolarHBondContact O-CG 3.36Å; S103-Q108 PolarHBondContact O-NE2 3.17Å; C106-Q108 PolarHBondContact O-N 3.06Å; Q108-A112 HydrophobicContact CB-CB 4.09Å; Q108-K113 HydrophobicContact CB-CG 3.82Å; Q108-I116 HydrophobicContact CG-CD1 3.97Å | ||
| 109 | D | 94.8 | Very high | 94.8 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | trans | -76.8 | 168.8 | 160.8 | 71.8 | 71.2 | 0 | 0 | 0 | 111.7 | Y111 A112 K113 | D109-Y111 VanDerWaalsContact C-N 3.35Å; D109-Y111 PolarHBondContact O-N 3.31Å; D109-Y111 WeakPolarHBondContact OD1-CA 3.21Å; D109-Y111 WeakPolarHBondContact OD1-CB 3.35Å; D109-Y111 PolarHBondContact OD1-N 2.99Å; D109-A112 PolarHBondContact O-N 3.44Å; D109-A112 PolarHBondContact OD1-N 2.91Å; D109-K113 WeakPolarHBondContact O-CG 3.39Å; D109-K113 PolarHBondContact O-N 3.31Å | ||
| 110 | E | 95.9 | Very high | 94.9 | Very high | 38 Ų | 38 | 58.7 Ų | 58.7 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.3 | -28.5 | -169.6 | -35.8 | -49.4 | 172.5 | 0 | 0 | 113 | K113 S114 K149 D150 V153 | E110-K113 IonicContact OE1-NZ 2.64Å; E110-K113 WeakPolarHBondContact OE2-CD 3.41Å; E110-K113 VanDerWaalsContact OE2-CE 3.29Å; E110-K113 WeakPolarHBondContact OE2-CE 3.31Å; E110-K113 IonicContact OE2-NZ 2.67Å; E110-K113 PolarHBondContact OE2-NZ 3.39Å; E110-S114 WeakPolarHBondContact O-CB 3.14Å; E110-S114 PolarHBondContact O-N 3.1Å; E110-K149 WeakPolarHBondContact OE1-CE 3.32Å; E110-K149 IonicContact OE1-NZ 2.67Å; E110-K149 PolarHBondContact OE1-NZ 2.98Å; E110-D150 HydrophobicContact CB-CB 3.78Å; E110-D150 HydrophobicContact CG-CB 4.04Å; E110-V153 HydrophobicContact CB-CG2 3.87Å; E110-V153 WeakPolarHBondContact O-CG2 3.42Å |
| 111 | Y | 96.2 | Very high | 94.9 | Very high | 174 Ų | 174 | 58.3 Ų | 58.3 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71 | -44.6 | 173.5 | 174.9 | -97.3 | 0 | 0 | 0 | 110.1 | D109 S114 M115 | D109-Y111 VanDerWaalsContact C-N 3.35Å; D109-Y111 PolarHBondContact O-N 3.31Å; D109-Y111 WeakPolarHBondContact OD1-CA 3.21Å; D109-Y111 WeakPolarHBondContact OD1-CB 3.35Å; D109-Y111 PolarHBondContact OD1-N 2.99Å; Y111-S114 PolarHBondContact O-N 3.44Å; Y111-M115 HydrophobicContact CD1-CG 4.37Å; Y111-M115 HydrophobicContact CD2-CG 4.5Å; Y111-M115 HydrophobicContact CE1-CG 3.93Å; Y111-M115 HydrophobicContact CE2-CG 4.07Å; Y111-M115 HydrophobicContact CE2-SD 4.42Å; Y111-M115 WeakPolarHBondContact O-CB 3.35Å; Y111-M115 WeakPolarHBondContact O-CG 3.47Å; Y111-M115 PolarHBondContact O-N 3.08Å |
| 112 | A | 96.9 | Very high | 95 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 17% | 0.174 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q108 D109 S114 M115 I116 | Q108-A112 HydrophobicContact CB-CB 4.09Å; D109-A112 PolarHBondContact O-N 3.44Å; D109-A112 PolarHBondContact OD1-N 2.91Å; A112-S114 PolarHBondContact O-N 3.49Å; A112-M115 PolarHBondContact O-N 3.15Å; A112-I116 WeakPolarHBondContact O-CB 3.43Å; A112-I116 WeakPolarHBondContact O-CD1 3.5Å; A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.39Å; A112-I116 PolarHBondContact O-N 3.46Å |
| 113 | K | 97.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 14% | 0.135 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.1 | -49.5 | 172.8 | -72 | -179.7 | -168.1 | 159.3 | 0 | 112.1 | L104 Q108 D109 E110 M115 I116 L117 M145 D148 V153 | L104-K113 HydrophobicContact CD1-CB 4.25Å; L104-K113 HydrophobicContact CD1-CG 4.22Å; Q108-K113 HydrophobicContact CB-CG 3.82Å; D109-K113 WeakPolarHBondContact O-CG 3.39Å; D109-K113 PolarHBondContact O-N 3.31Å; E110-K113 IonicContact OE1-NZ 2.64Å; E110-K113 WeakPolarHBondContact OE2-CD 3.41Å; E110-K113 VanDerWaalsContact OE2-CE 3.29Å; E110-K113 WeakPolarHBondContact OE2-CE 3.31Å; E110-K113 IonicContact OE2-NZ 2.67Å; E110-K113 PolarHBondContact OE2-NZ 3.39Å; K113-M115 VanDerWaalsContact C-N 3.35Å; K113-M115 PolarHBondContact O-N 2.96Å; K113-I116 PolarHBondContact O-N 3.07Å; K113-L117 WeakPolarHBondContact O-CB 3.42Å; K113-L117 WeakPolarHBondContact O-CG 3.5Å; K113-L117 PolarHBondContact O-N 2.96Å; K113-M145 HydrophobicContact CD-SD 4.33Å; K113-D148 IonicContact NZ-OD2 2.73Å; K113-D148 PolarHBondContact NZ-OD2 3.14Å; K113-V153 HydrophobicContact CB-CG1 4.25Å; K113-V153 HydrophobicContact CB-CG2 3.83Å; K113-V153 HydrophobicContact CD-CG1 4.14Å; K113-V153 HydrophobicContact CD-CG2 4.23Å |
| 114 | S | 97.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | -179.3 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | E110 Y111 A112 L117 H118 S152 Q156 | E110-S114 WeakPolarHBondContact O-CB 3.14Å; E110-S114 PolarHBondContact O-N 3.1Å; Y111-S114 PolarHBondContact O-N 3.44Å; A112-S114 PolarHBondContact O-N 3.49Å; S114-L117 PolarHBondContact O-N 3.04Å; S114-H118 WeakPolarHBondContact O-CB 3.41Å; S114-H118 PolarHBondContact O-N 3.05Å; S114-S152 PolarHBondContact OG-OG 3.4Å; S114-Q156 VanDerWaalsContact OG-CG 3.22Å; S114-Q156 WeakPolarHBondContact OG-CG 3.26Å |
| 115 | M | 98 | Very high | 95.3 | Very high | 85 Ų | 85 | 66.8 Ų | 66.8 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 176.1 | -70.4 | -58.1 | -59 | 0 | 0 | 113.5 | Y111 A112 K113 S119 | Y111-M115 HydrophobicContact CD1-CG 4.37Å; Y111-M115 HydrophobicContact CD2-CG 4.5Å; Y111-M115 HydrophobicContact CE1-CG 3.93Å; Y111-M115 HydrophobicContact CE2-CG 4.07Å; Y111-M115 HydrophobicContact CE2-SD 4.42Å; Y111-M115 WeakPolarHBondContact O-CB 3.35Å; Y111-M115 WeakPolarHBondContact O-CG 3.47Å; Y111-M115 PolarHBondContact O-N 3.08Å; A112-M115 PolarHBondContact O-N 3.15Å; K113-M115 VanDerWaalsContact C-N 3.35Å; K113-M115 PolarHBondContact O-N 2.96Å; M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.44Å; M115-S119 PolarHBondContact O-OG 3.13Å |
| 116 | I | 98.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -50.8 | 172.7 | -70.6 | 163.9 | 0 | 0 | 0 | 110 | L100 L104 Q108 A112 K113 H118 S119 I120 | L100-I116 HydrophobicContact CB-CG2 4.44Å; L100-I116 HydrophobicContact CD2-CG2 4.49Å; L100-I116 WeakPolarHBondContact O-CG2 3.28Å; L104-I116 HydrophobicContact CB-CG2 4.15Å; L104-I116 HydrophobicContact CD1-CB 4.43Å; L104-I116 HydrophobicContact CD1-CG2 4.07Å; Q108-I116 HydrophobicContact CG-CD1 3.97Å; A112-I116 WeakPolarHBondContact O-CB 3.43Å; A112-I116 WeakPolarHBondContact O-CD1 3.5Å; A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.39Å; A112-I116 PolarHBondContact O-N 3.46Å; K113-I116 PolarHBondContact O-N 3.07Å; I116-H118 VanDerWaalsContact C-N 3.32Å; I116-H118 PolarHBondContact O-N 2.98Å; I116-S119 CarbonylContact O-C 3.58Å; I116-S119 WeakPolarHBondContact O-CA 3.46Å; I116-S119 WeakPolarHBondContact O-CB 3.41Å; I116-S119 PolarHBondContact O-N 2.94Å; I116-I120 HydrophobicContact CG2-CD1 3.78Å; I116-I120 HydrophobicContact CG2-CG1 4.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.41Å; I116-I120 PolarHBondContact O-N 3.35Å |
| 117 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 177.3 | -74.5 | 165.8 | 0 | 0 | 0 | 112.7 | L104 K113 S114 S119 I120 T121 L142 M145 V153 Q156 A157 T160 | L104-L117 HydrophobicContact CD1-CD2 4.5Å; L104-L117 HydrophobicContact CD1-CG 4.14Å; L104-L117 HydrophobicContact CD2-CD2 3.73Å; L104-L117 HydrophobicContact CD2-CG 4.26Å; K113-L117 WeakPolarHBondContact O-CB 3.42Å; K113-L117 WeakPolarHBondContact O-CG 3.5Å; K113-L117 PolarHBondContact O-N 2.96Å; S114-L117 PolarHBondContact O-N 3.04Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 2.88Å; L117-I120 PolarHBondContact O-N 2.84Å; L117-T121 WeakPolarHBondContact O-CB 3.46Å; L117-T121 PolarHBondContact O-N 2.89Å; L117-T121 PolarHBondContact O-OG1 3.43Å; L117-L142 HydrophobicContact CD2-CD2 3.33Å; L117-M145 HydrophobicContact CD1-CB 4.28Å; L117-M145 HydrophobicContact CD1-CG 4.24Å; L117-M145 HydrophobicContact CD2-CG 4.36Å; L117-V153 HydrophobicContact CD1-CG1 3.92Å; L117-Q156 HydrophobicContact CB-CB 3.51Å; L117-Q156 HydrophobicContact CD1-CB 4.25Å; L117-A157 HydrophobicContact CD1-CB 4.18Å; L117-A157 HydrophobicContact CD2-CB 4.49Å; L117-T160 PolarHBondContact O-OG1 3Å; L117-T160 VanDerWaalsContact O-OG1 3.13Å |
| 118 | H | 98.2 | Very high | 96.5 | Very high | 70 Ų | 70 | 62.6 Ų | 62.6 | 32% | 0.324 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 173 | -171.2 | 77.4 | 0 | 0 | 0 | 111.8 | S114 I116 T121 R122 Q156 | S114-H118 WeakPolarHBondContact O-CB 3.41Å; S114-H118 PolarHBondContact O-N 3.05Å; I116-H118 VanDerWaalsContact C-N 3.32Å; I116-H118 PolarHBondContact O-N 2.98Å; H118-T121 WeakPolarHBondContact O-CB 3.26Å; H118-T121 PolarHBondContact O-N 3.41Å; H118-R122 WeakPolarHBondContact O-CG 3.45Å; H118-R122 PolarHBondContact O-N 2.82Å; H118-R122 VanDerWaalsContact O-N 3.1Å; H118-Q156 HydrophobicContact CB-CG 4.44Å; H118-Q156 PolarHBondContact ND1-OE1 3.33Å |
| 119 | S | 98.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 63 Ų | 63 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | M115 I116 L117 T121 R122 C123 | M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.44Å; M115-S119 PolarHBondContact O-OG 3.13Å; I116-S119 CarbonylContact O-C 3.58Å; I116-S119 WeakPolarHBondContact O-CA 3.46Å; I116-S119 WeakPolarHBondContact O-CB 3.41Å; I116-S119 PolarHBondContact O-N 2.94Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 2.88Å; S119-T121 VanDerWaalsContact C-N 3.34Å; S119-T121 PolarHBondContact O-N 2.67Å; S119-R122 WeakPolarHBondContact O-CB 3.36Å; S119-R122 PolarHBondContact O-N 3.47Å; S119-R122 VanDerWaalsContact O-N 3.14Å; S119-C123 PolarHBondContact O-N 3.01Å; S119-C123 PolarHBondContact O-SG 3.03Å; S119-C123 VanDerWaalsContact O-SG 3.4Å |
| 120 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 171.9 | -65.7 | 170 | 0 | 0 | 0 | 110 | L97 L100 L101 L104 I116 L117 R122 C123 V124 L142 T160 F164 | L97-I120 HydrophobicContact CD1-CB 4.33Å; L97-I120 HydrophobicContact CD1-CG1 4.46Å; L97-I120 HydrophobicContact CD1-CG2 3.7Å; L100-I120 HydrophobicContact CB-CD1 4.19Å; L100-I120 HydrophobicContact CB-CG1 3.58Å; L100-I120 HydrophobicContact CD1-CG1 4.29Å; L101-I120 HydrophobicContact CD2-CD1 4.06Å; L101-I120 HydrophobicContact CG-CD1 4.3Å; L104-I120 HydrophobicContact CD2-CD1 4.31Å; I116-I120 HydrophobicContact CG2-CD1 3.78Å; I116-I120 HydrophobicContact CG2-CG1 4.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.41Å; I116-I120 PolarHBondContact O-N 3.35Å; L117-I120 PolarHBondContact O-N 2.84Å; I120-R122 VanDerWaalsContact C-N 3.28Å; I120-R122 PolarHBondContact O-N 3.16Å; I120-C123 PolarHBondContact O-N 2.95Å; I120-C123 VanDerWaalsContact O-N 3.14Å; I120-V124 HydrophobicContact CG2-CG2 4.4Å; I120-V124 WeakPolarHBondContact O-CG2 3.44Å; I120-V124 PolarHBondContact O-N 3.37Å; I120-L142 HydrophobicContact CD1-CD2 4.49Å; I120-T160 HydrophobicContact CB-CG2 4.13Å; I120-T160 HydrophobicContact CG2-CG2 3.43Å; I120-T160 VanDerWaalsContact CG2-CG2 3.43Å; I120-F164 HydrophobicContact CG2-CE2 4.02Å |
| 121 | T | 98.4 | Very high | 96.7 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.1 | -43.9 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | L117 H118 S119 Y125 T160 A163 | L117-T121 WeakPolarHBondContact O-CB 3.46Å; L117-T121 PolarHBondContact O-N 2.89Å; L117-T121 PolarHBondContact O-OG1 3.43Å; H118-T121 WeakPolarHBondContact O-CB 3.26Å; H118-T121 PolarHBondContact O-N 3.41Å; S119-T121 VanDerWaalsContact C-N 3.34Å; S119-T121 PolarHBondContact O-N 2.67Å; T121-Y125 HydrophobicContact CG2-CD2 4.24Å; T121-Y125 HydrophobicContact CG2-CE2 3.86Å; T121-Y125 WeakPolarHBondContact O-CD2 3.46Å; T121-Y125 PolarHBondContact O-N 2.74Å; T121-T160 VanDerWaalsContact OG1-CA 3.26Å; T121-T160 WeakPolarHBondContact OG1-CA 3.33Å; T121-T160 WeakPolarHBondContact OG1-CB 3.37Å; T121-T160 PolarHBondContact OG1-N 2.97Å; T121-T160 PolarHBondContact OG1-OG1 3.29Å; T121-A163 HydrophobicContact CG2-CB 4.34Å |
| 122 | R | 97.9 | Very high | 96.6 | Very high | 145 Ų | 145 | 51.5 Ų | 51.5 | 55% | 0.547 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 176.9 | -66.1 | 168.6 | 68.6 | 92.6 | 4.4 | 111.9 | H118 S119 I120 V124 Y125 L126 | H118-R122 WeakPolarHBondContact O-CG 3.45Å; H118-R122 PolarHBondContact O-N 2.82Å; H118-R122 VanDerWaalsContact O-N 3.1Å; S119-R122 WeakPolarHBondContact O-CB 3.36Å; S119-R122 PolarHBondContact O-N 3.47Å; S119-R122 VanDerWaalsContact O-N 3.14Å; I120-R122 VanDerWaalsContact C-N 3.28Å; I120-R122 PolarHBondContact O-N 3.16Å; R122-V124 VanDerWaalsContact C-N 3.32Å; R122-V124 PolarHBondContact O-N 2.89Å; R122-Y125 PolarHBondContact O-N 2.9Å; R122-L126 WeakPolarHBondContact O-CB 3.36Å; R122-L126 VanDerWaalsContact O-CG 3.31Å; R122-L126 WeakPolarHBondContact O-CG 3.34Å; R122-L126 PolarHBondContact O-N 3.29Å |
| 123 | C | 97.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 12% | 0.122 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 176.2 | -72 | 0 | 0 | 0 | 0 | 111.8 | L97 S119 I120 Y125 L126 L127 | L97-C123 HydrophobicContact CB-CB 4.29Å; L97-C123 HydrophobicContact CD1-CB 3.9Å; S119-C123 PolarHBondContact O-N 3.01Å; S119-C123 PolarHBondContact O-SG 3.03Å; S119-C123 VanDerWaalsContact O-SG 3.4Å; I120-C123 PolarHBondContact O-N 2.95Å; I120-C123 VanDerWaalsContact O-N 3.14Å; C123-Y125 VanDerWaalsContact C-N 3.28Å; C123-Y125 PolarHBondContact O-N 3.26Å; C123-L126 PolarHBondContact O-N 3.46Å; C123-L126 VanDerWaalsContact O-N 3.1Å; C123-L127 HydrophobicContact CB-CD1 4.06Å; C123-L127 WeakPolarHBondContact O-CA 3.42Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 PolarHBondContact O-N 2.85Å |
| 124 | V | 97.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -32.2 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 113.1 | L97 I120 R122 A131 A163 F164 | L97-V124 HydrophobicContact CD1-CG2 4.21Å; L97-V124 HydrophobicContact CD2-CG2 4.39Å; I120-V124 HydrophobicContact CG2-CG2 4.4Å; I120-V124 WeakPolarHBondContact O-CG2 3.44Å; I120-V124 PolarHBondContact O-N 3.37Å; R122-V124 VanDerWaalsContact C-N 3.32Å; R122-V124 PolarHBondContact O-N 2.89Å; V124-A131 HydrophobicContact CB-CB 4.36Å; V124-A131 HydrophobicContact CG1-CB 4.16Å; V124-A131 HydrophobicContact CG2-CB 4.26Å; V124-A163 HydrophobicContact CB-CB 3.91Å; V124-A163 HydrophobicContact CG1-CB 3.6Å; V124-F164 HydrophobicContact CG1-CD1 4.25Å; V124-F164 HydrophobicContact CG1-CG 4.35Å; V124-F164 HydrophobicContact CG2-CD1 4.13Å; V124-F164 HydrophobicContact CG2-CD2 3.94Å; V124-F164 HydrophobicContact CG2-CE1 3.7Å; V124-F164 HydrophobicContact CG2-CE2 3.45Å; V124-F164 VanDerWaalsContact CG2-CE2 3.45Å; V124-F164 HydrophobicContact CG2-CG 4.26Å; V124-F164 HydrophobicContact CG2-CZ 3.34Å |
| 125 | Y | 95.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 54.8 Ų | 54.8 | 51% | 0.51 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -83.5 | -15.1 | 175.3 | -70.4 | -60.9 | 0 | 0 | 0 | 114.6 | T121 R122 C123 K162 A163 | T121-Y125 HydrophobicContact CG2-CD2 4.24Å; T121-Y125 HydrophobicContact CG2-CE2 3.86Å; T121-Y125 WeakPolarHBondContact O-CD2 3.46Å; T121-Y125 PolarHBondContact O-N 2.74Å; R122-Y125 PolarHBondContact O-N 2.9Å; C123-Y125 VanDerWaalsContact C-N 3.28Å; C123-Y125 PolarHBondContact O-N 3.26Å; Y125-K162 PolarHBondContact OH-NZ 3.05Å; Y125-A163 HydrophobicContact CD2-CB 4.27Å; Y125-A163 HydrophobicContact CE1-CB 4.26Å; Y125-A163 HydrophobicContact CE2-CB 3.69Å |
| 126 | L | 95.3 | Very high | 96.5 | Very high | 132 Ų | 132 | 54.3 Ų | 54.3 | 69% | 0.691 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -113 | -26.5 | -173.2 | -65.9 | 173.1 | 0 | 0 | 0 | 113.8 | R122 C123 | R122-L126 WeakPolarHBondContact O-CB 3.36Å; R122-L126 VanDerWaalsContact O-CG 3.31Å; R122-L126 WeakPolarHBondContact O-CG 3.34Å; R122-L126 PolarHBondContact O-N 3.29Å; C123-L126 PolarHBondContact O-N 3.46Å; C123-L126 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 94.9 | Very high | 96.4 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | trans | -121.5 | 61.7 | -171.3 | -53.4 | 176.3 | 0 | 0 | 0 | 109.7 | C123 A129 E130 A131 | C123-L127 HydrophobicContact CB-CD1 4.06Å; C123-L127 WeakPolarHBondContact O-CA 3.42Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 PolarHBondContact O-N 2.85Å; L127-A129 PolarHBondContact O-N 3.44Å; L127-A129 VanDerWaalsContact O-N 3.09Å; L127-E130 HydrophobicContact CB-CB 4.11Å; L127-E130 HydrophobicContact CB-CG 4.35Å; L127-E130 PolarHBondContact O-N 3.41Å; L127-A131 PolarHBondContact O-N 2.98Å | ||
| 128 | E | 91.8 | Very high | 96.4 | Very high | 154 Ų | 154 | 58.8 Ų | 58.8 | 72% | 0.72 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -51.9 | -35.7 | -174.9 | -176.3 | 177.8 | -168.8 | 0 | 0 | 113.2 | S132 | E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 3.45Å; E128-S132 PolarHBondContact O-OG 3.35Å |
| 129 | A | 93.1 | Very high | 96.4 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.4 | -48.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L127 S132 A133 | L127-A129 PolarHBondContact O-N 3.44Å; L127-A129 VanDerWaalsContact O-N 3.09Å; A129-S132 CarbonylContact O-C 3.59Å; A129-S132 PolarHBondContact O-N 2.87Å; A129-A133 PolarHBondContact O-N 3.01Å |
| 130 | E | 95.3 | Very high | 96.4 | Very high | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177 | -67.5 | -176.3 | -148.3 | 0 | 0 | 110.8 | S94 E96 L97 L127 S132 A133 C134 | S94-E130 VanDerWaalsContact CB-OE1 3.32Å; S94-E130 WeakPolarHBondContact CB-OE1 3.24Å; S94-E130 PolarHBondContact N-OE1 3.29Å; S94-E130 PolarHBondContact OG-OE1 2.89Å; E96-E130 PolarHBondContact N-OE2 3.36Å; L97-E130 HydrophobicContact CB-CB 4.05Å; L97-E130 WeakPolarHBondContact CB-OE2 3.46Å; L97-E130 HydrophobicContact CD2-CB 4.05Å; L97-E130 PolarHBondContact N-OE2 3.47Å; L127-E130 HydrophobicContact CB-CB 4.11Å; L127-E130 HydrophobicContact CB-CG 4.35Å; L127-E130 PolarHBondContact O-N 3.41Å; E130-S132 PolarHBondContact O-N 2.73Å; E130-A133 WeakPolarHBondContact O-CA 3.47Å; E130-A133 WeakPolarHBondContact O-CB 3.43Å; E130-A133 PolarHBondContact O-N 2.94Å; E130-C134 PolarHBondContact O-N 3.45Å |
| 131 | A | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -31.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L97 V124 L127 A133 F164 I167 F170 | L97-A131 VanDerWaalsContact CD2-CA 3.45Å; L97-A131 HydrophobicContact CD2-CB 3.91Å; V124-A131 HydrophobicContact CB-CB 4.36Å; V124-A131 HydrophobicContact CG1-CB 4.16Å; V124-A131 HydrophobicContact CG2-CB 4.26Å; L127-A131 PolarHBondContact O-N 2.98Å; A131-A133 VanDerWaalsContact C-N 3.31Å; A131-F164 HydrophobicContact CB-CE1 4.36Å; A131-I167 HydrophobicContact CB-CD1 3.59Å; A131-F170 WeakPolarHBondContact O-CE2 3.43Å |
| 132 | S | 95.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 37% | 0.371 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76 | -15.6 | 171.3 | -62.2 | 0 | 0 | 0 | 0 | 113.6 | E128 A129 E130 K169 | E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 3.45Å; E128-S132 PolarHBondContact O-OG 3.35Å; A129-S132 CarbonylContact O-C 3.59Å; A129-S132 PolarHBondContact O-N 2.87Å; E130-S132 PolarHBondContact O-N 2.73Å; S132-K169 WeakPolarHBondContact O-CE 3.48Å; S132-K169 PolarHBondContact O-NZ 3.44Å |
| 133 | A | 95.6 | Very high | 96.3 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -87.2 | -17.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A129 E130 A131 | A129-A133 PolarHBondContact O-N 3.01Å; E130-A133 WeakPolarHBondContact O-CA 3.47Å; E130-A133 WeakPolarHBondContact O-CB 3.43Å; E130-A133 PolarHBondContact O-N 2.94Å; A131-A133 VanDerWaalsContact C-N 3.31Å |
| 134 | C | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | trans | -56.1 | 155 | 174.8 | -76.1 | 0 | 0 | 0 | 0 | 114.1 | L101 E130 D138 F164 K169 F170 | L101-C134 VanDerWaalsContact CD1-SG 3.59Å; E130-C134 PolarHBondContact O-N 3.45Å; C134-D138 WeakPolarHBondContact CA-OD2 3.35Å; C134-D138 HydrophobicContact CB-CB 4.28Å; C134-D138 WeakPolarHBondContact CB-OD2 3.28Å; C134-D138 PolarHBondContact SG-OD2 3.1Å; C134-D138 VanDerWaalsContact SG-OD2 3.4Å; C134-F164 HydrophobicContact CB-CE1 4.01Å; C134-F164 HydrophobicContact CB-CZ 4.47Å; C134-K169 WeakPolarHBondContact O-CE 3.16Å; C134-K169 PolarHBondContact O-NZ 3.4Å; C134-F170 HydrophobicContact CB-CE1 4.47Å; C134-F170 HydrophobicContact CB-CE2 4.27Å; C134-F170 HydrophobicContact CB-CZ 3.61Å; C134-F170 VanDerWaalsContact O-CZ 3.3Å; C134-F170 WeakPolarHBondContact O-CZ 3.48Å | ||
| 135 | T | 97 | Very high | 96.3 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | trans | -97.8 | 175.6 | -177.8 | 69.9 | 0 | 0 | 0 | 0 | 111.9 | D137 D138 F170 | T135-D137 PolarHBondContact O-N 2.99Å; T135-D137 PolarHBondContact OG1-N 2.94Å; T135-D137 VanDerWaalsContact OG1-N 3.1Å; T135-D138 PolarHBondContact N-OD2 3.26Å; T135-D138 PolarHBondContact OG1-N 3.15Å; T135-D138 PolarHBondContact OG1-OD2 3.11Å; T135-F170 WeakPolarHBondContact O-CE1 3.49Å | ||
| 136 | T | 97.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -25.7 | 166.7 | 40.6 | 0 | 0 | 0 | 0 | 112.9 | I139 V140 | T136-I139 WeakPolarHBondContact O-CB 3.43Å; T136-I139 PolarHBondContact O-N 3.2Å; T136-V140 PolarHBondContact O-N 3.2Å; T136-V140 VanDerWaalsContact O-N 3.08Å |
| 137 | D | 97.3 | Very high | 96.5 | Very high | 108 Ų | 108 | 48.3 Ų | 48.3 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -83.8 | -31.4 | -169 | -44.7 | -26.8 | 0 | 0 | 0 | 109.6 | T135 I139 V140 L141 | T135-D137 PolarHBondContact O-N 2.99Å; T135-D137 PolarHBondContact OG1-N 2.94Å; T135-D137 VanDerWaalsContact OG1-N 3.1Å; D137-I139 PolarHBondContact O-N 3.35Å; D137-V140 PolarHBondContact O-N 2.67Å; D137-V140 VanDerWaalsContact O-N 3.11Å; D137-L141 WeakPolarHBondContact O-CB 3.38Å; D137-L141 PolarHBondContact O-N 3.16Å |
| 138 | D | 97.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.8 | -38.7 | 163.7 | -61 | -32.8 | 0 | 0 | 0 | 111.7 | R98 L101 C134 T135 L142 | R98-D138 IonicContact CZ-OD1 3.3Å; R98-D138 IonicContact CZ-OD2 3.42Å; R98-D138 IonicContact NH1-OD1 3.27Å; R98-D138 PolarHBondContact NH1-OD1 2.94Å; R98-D138 IonicContact NH1-OD2 2.71Å; R98-D138 IonicContact NH2-OD1 3.29Å; R98-D138 PolarHBondContact NH2-OD1 3.49Å; R98-D138 IonicContact NH2-OD2 3.82Å; R98-D138 PolarHBondContact NH2-OD2 3.01Å; L101-D138 HydrophobicContact CD1-CB 4.1Å; L101-D138 HydrophobicContact CD2-CB 4.23Å; C134-D138 WeakPolarHBondContact CA-OD2 3.35Å; C134-D138 HydrophobicContact CB-CB 4.28Å; C134-D138 WeakPolarHBondContact CB-OD2 3.28Å; C134-D138 PolarHBondContact SG-OD2 3.1Å; C134-D138 VanDerWaalsContact SG-OD2 3.4Å; T135-D138 PolarHBondContact N-OD2 3.26Å; T135-D138 PolarHBondContact OG1-N 3.15Å; T135-D138 PolarHBondContact OG1-OD2 3.11Å; D138-L142 WeakPolarHBondContact O-CD1 3.29Å; D138-L142 VanDerWaalsContact O-CG 3.23Å; D138-L142 WeakPolarHBondContact O-CG 3.38Å; D138-L142 PolarHBondContact O-N 3.27Å |
| 139 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.7 | -37.3 | 176.8 | -55.1 | -59.2 | 0 | 0 | 0 | 111.3 | T136 D137 L142 G143 L161 F164 F170 K173 I174 | T136-I139 WeakPolarHBondContact O-CB 3.43Å; T136-I139 PolarHBondContact O-N 3.2Å; D137-I139 PolarHBondContact O-N 3.35Å; I139-L142 PolarHBondContact O-N 3.09Å; I139-G143 PolarHBondContact O-N 2.81Å; I139-L161 HydrophobicContact CG2-CD2 4.06Å; I139-F164 HydrophobicContact CD1-CB 3.75Å; I139-F164 HydrophobicContact CD1-CD1 3.89Å; I139-F164 HydrophobicContact CD1-CD2 3.95Å; I139-F164 HydrophobicContact CD1-CE1 4.43Å; I139-F164 HydrophobicContact CD1-CE2 4.5Å; I139-F164 HydrophobicContact CD1-CG 3.61Å; I139-F170 HydrophobicContact CD1-CB 4.08Å; I139-F170 HydrophobicContact CD1-CD1 3.94Å; I139-F170 HydrophobicContact CD1-CD2 4.07Å; I139-F170 HydrophobicContact CD1-CE1 4.34Å; I139-F170 HydrophobicContact CD1-CE2 4.48Å; I139-F170 HydrophobicContact CD1-CG 3.78Å; I139-F170 HydrophobicContact CG1-CB 4.09Å; I139-F170 HydrophobicContact CG1-CD1 3.49Å; I139-F170 VanDerWaalsContact CG1-CD1 3.49Å; I139-F170 HydrophobicContact CG1-CE1 3.97Å; I139-F170 HydrophobicContact CG1-CG 3.81Å; I139-K173 HydrophobicContact CB-CG 4.21Å; I139-K173 HydrophobicContact CG2-CB 4.32Å; I139-K173 HydrophobicContact CG2-CG 3.92Å; I139-I174 HydrophobicContact CG2-CG1 3.58Å |
| 140 | V | 97.6 | Very high | 97 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | T136 D137 L142 G143 Y144 | T136-V140 PolarHBondContact O-N 3.2Å; T136-V140 VanDerWaalsContact O-N 3.08Å; D137-V140 PolarHBondContact O-N 2.67Å; D137-V140 VanDerWaalsContact O-N 3.11Å; V140-L142 VanDerWaalsContact C-N 3.34Å; V140-L142 PolarHBondContact O-N 2.66Å; V140-G143 WeakPolarHBondContact O-CA 3.07Å; V140-G143 PolarHBondContact O-N 3.03Å; V140-Y144 HydrophobicContact CG1-CD2 4.19Å; V140-Y144 HydrophobicContact CG1-CE1 4.4Å; V140-Y144 HydrophobicContact CG1-CE2 3.47Å; V140-Y144 VanDerWaalsContact CG1-CE2 3.47Å; V140-Y144 WeakPolarHBondContact O-CD2 3.26Å; V140-Y144 PolarHBondContact O-N 2.8Å |
| 141 | L | 97.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.5 | -47.8 | 173.3 | 174.2 | 62.7 | 0 | 0 | 0 | 111.6 | L101 L104 E105 D137 G143 Y144 | L101-L141 HydrophobicContact CD2-CD2 4.48Å; L104-L141 HydrophobicContact CB-CD2 4.48Å; L104-L141 HydrophobicContact CD2-CG 4.33Å; E105-L141 HydrophobicContact CG-CD1 4.04Å; E105-L141 HydrophobicContact CG-CD2 3.63Å; E105-L141 HydrophobicContact CG-CG 4.5Å; D137-L141 WeakPolarHBondContact O-CB 3.38Å; D137-L141 PolarHBondContact O-N 3.16Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.2Å; L141-Y144 PolarHBondContact O-N 2.78Å |
| 142 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -31.6 | 175.4 | -66.4 | 167.8 | 0 | 0 | 0 | 112.6 | L101 L104 L117 I120 D138 I139 V140 M145 T160 L161 F164 | L101-L142 HydrophobicContact CD2-CD1 4.4Å; L101-L142 HydrophobicContact CD2-CG 4.44Å; L104-L142 HydrophobicContact CD2-CD2 3.93Å; L117-L142 HydrophobicContact CD2-CD2 3.33Å; I120-L142 HydrophobicContact CD1-CD2 4.49Å; D138-L142 WeakPolarHBondContact O-CD1 3.29Å; D138-L142 VanDerWaalsContact O-CG 3.23Å; D138-L142 WeakPolarHBondContact O-CG 3.38Å; D138-L142 PolarHBondContact O-N 3.27Å; I139-L142 PolarHBondContact O-N 3.09Å; V140-L142 VanDerWaalsContact C-N 3.34Å; V140-L142 PolarHBondContact O-N 2.66Å; L142-M145 WeakPolarHBondContact O-CB 3.46Å; L142-M145 PolarHBondContact O-N 3.13Å; L142-T160 HydrophobicContact CD1-CG2 3.78Å; L142-T160 HydrophobicContact CD2-CG2 3.78Å; L142-T160 HydrophobicContact CG-CG2 4.41Å; L142-L161 HydrophobicContact CB-CD2 3.89Å; L142-L161 HydrophobicContact CB-CG 4.31Å; L142-F164 HydrophobicContact CD1-CD2 3.66Å; L142-F164 HydrophobicContact CD1-CE2 3.41Å; L142-F164 VanDerWaalsContact CD1-CE2 3.41Å; L142-F164 HydrophobicContact CD1-CZ 4.41Å |
| 143 | G | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I139 V140 L141 M145 L146 | I139-G143 PolarHBondContact O-N 2.81Å; V140-G143 WeakPolarHBondContact O-CA 3.07Å; V140-G143 PolarHBondContact O-N 3.03Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.2Å; G143-M145 PolarHBondContact O-N 3.5Å; G143-L146 VanDerWaalsContact O-CB 3.28Å; G143-L146 WeakPolarHBondContact O-CB 3.47Å; G143-L146 WeakPolarHBondContact O-CG 3.36Å; G143-L146 PolarHBondContact O-N 3.19Å; G143-L146 VanDerWaalsContact O-N 3.11Å |
| 144 | Y | 97.3 | Very high | 97.6 | Very high | 156 Ų | 156 | 45.8 Ų | 45.8 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.4 | -23.4 | 176.8 | -65 | -46.4 | 0 | 0 | 0 | 113.5 | V140 L141 L146 D147 | V140-Y144 HydrophobicContact CG1-CD2 4.19Å; V140-Y144 HydrophobicContact CG1-CE1 4.4Å; V140-Y144 HydrophobicContact CG1-CE2 3.47Å; V140-Y144 VanDerWaalsContact CG1-CE2 3.47Å; V140-Y144 WeakPolarHBondContact O-CD2 3.26Å; V140-Y144 PolarHBondContact O-N 2.8Å; L141-Y144 PolarHBondContact O-N 2.78Å; Y144-L146 PolarHBondContact O-N 2.96Å; Y144-D147 PolarHBondContact O-N 3.35Å; Y144-D147 VanDerWaalsContact O-N 3.16Å |
| 145 | M | 98 | Very high | 97.7 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -69.7 | -9.3 | 175.5 | -58.5 | -61.8 | 103.8 | 0 | 0 | 113.1 | L104 K113 L117 L142 G143 D147 V153 A157 | L104-M145 HydrophobicContact CD1-SD 4.15Å; L104-M145 HydrophobicContact CD2-CG 4.05Å; L104-M145 HydrophobicContact CD2-SD 4.33Å; L104-M145 HydrophobicContact CG-SD 4.2Å; K113-M145 HydrophobicContact CD-SD 4.33Å; L117-M145 HydrophobicContact CD1-CB 4.28Å; L117-M145 HydrophobicContact CD1-CG 4.24Å; L117-M145 HydrophobicContact CD2-CG 4.36Å; L142-M145 WeakPolarHBondContact O-CB 3.46Å; L142-M145 PolarHBondContact O-N 3.13Å; G143-M145 PolarHBondContact O-N 3.5Å; M145-D147 VanDerWaalsContact C-N 3.32Å; M145-V153 HydrophobicContact CB-CG1 4.24Å; M145-V153 HydrophobicContact SD-CG1 4.36Å; M145-A157 HydrophobicContact CB-CB 3.57Å |
| 146 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -76.1 | -18.5 | 171.8 | -59.4 | -179.8 | 0 | 0 | 0 | 113.3 | G143 Y144 A157 L158 L161 H177 K180 V181 L184 | G143-L146 VanDerWaalsContact O-CB 3.28Å; G143-L146 WeakPolarHBondContact O-CB 3.47Å; G143-L146 WeakPolarHBondContact O-CG 3.36Å; G143-L146 PolarHBondContact O-N 3.19Å; G143-L146 VanDerWaalsContact O-N 3.11Å; Y144-L146 PolarHBondContact O-N 2.96Å; L146-A157 HydrophobicContact CD2-CB 4.02Å; L146-L158 HydrophobicContact CD2-CD2 3.57Å; L146-L158 HydrophobicContact CD2-CG 3.69Å; L146-L161 HydrophobicContact CD1-CD1 3.86Å; L146-L161 HydrophobicContact CD2-CD1 4.17Å; L146-L161 HydrophobicContact CG-CD1 4.15Å; L146-H177 HydrophobicContact CD1-CB 4Å; L146-K180 HydrophobicContact CB-CG 4.07Å; L146-K180 HydrophobicContact CD1-CG 4.36Å; L146-V181 HydrophobicContact CD1-CG2 4.35Å; L146-L184 HydrophobicContact CB-CD1 4.15Å; L146-L184 HydrophobicContact CD2-CD1 4.27Å |
| 147 | D | 97.2 | Very high | 97.8 | Very high | 106 Ų | 106 | 41.4 Ų | 41.4 | 57% | 0.567 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -97.4 | 5.2 | 175.9 | -69.1 | -66.4 | 0 | 0 | 0 | 112.8 | Y144 M145 K180 | Y144-D147 PolarHBondContact O-N 3.35Å; Y144-D147 VanDerWaalsContact O-N 3.16Å; M145-D147 VanDerWaalsContact C-N 3.32Å; D147-K180 WeakPolarHBondContact OD1-CE 3.44Å; D147-K180 IonicContact OD1-NZ 3.18Å; D147-K180 PolarHBondContact OD1-NZ 2.99Å |
| 148 | D | 97.2 | Very high | 97.9 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | trans | -62.7 | 150.9 | 175.2 | -157.8 | -73.4 | 0 | 0 | 0 | 111.5 | K113 D150 V153 K154 | K113-D148 IonicContact NZ-OD2 2.73Å; K113-D148 PolarHBondContact NZ-OD2 3.14Å; D148-D150 VanDerWaalsContact C-N 3.3Å; D148-D150 PolarHBondContact O-N 3.47Å; D148-D150 PolarHBondContact OD1-N 3.24Å; D148-V153 HydrophobicContact CB-CB 4.09Å; D148-V153 HydrophobicContact CB-CG1 3.65Å; D148-K154 WeakPolarHBondContact O-CE 3.38Å; D148-K154 PolarHBondContact O-NZ 3.47Å | ||
| 149 | K | 95.8 | Very high | 97.9 | Very high | 166 Ų | 166 | 37.3 Ų | 37.3 | 72% | 0.722 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -66.6 | -34.2 | 176.9 | 75.7 | -165.2 | -170 | -139.2 | 0 | 111.7 | E110 K154 | E110-K149 WeakPolarHBondContact OE1-CE 3.32Å; E110-K149 IonicContact OE1-NZ 2.67Å; E110-K149 PolarHBondContact OE1-NZ 2.98Å; K149-K154 PolarHBondContact O-NZ 3.04Å; K149-K154 VanDerWaalsContact O-NZ 3.13Å |
| 150 | D | 97.3 | Very high | 98 | Very high | 55 Ų | 55 | 37.3 Ų | 37.3 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | trans | -84.7 | 140.9 | -173.5 | -178.9 | -94.6 | 0 | 0 | 0 | 112.8 | E110 D148 S152 V153 K154 | E110-D150 HydrophobicContact CB-CB 3.78Å; E110-D150 HydrophobicContact CG-CB 4.04Å; D148-D150 VanDerWaalsContact C-N 3.3Å; D148-D150 PolarHBondContact O-N 3.47Å; D148-D150 PolarHBondContact OD1-N 3.24Å; D150-S152 VanDerWaalsContact OD1-CA 3.25Å; D150-S152 WeakPolarHBondContact OD1-CA 3.31Å; D150-S152 WeakPolarHBondContact OD1-CB 3.17Å; D150-S152 PolarHBondContact OD1-N 3.43Å; D150-V153 HydrophobicContact CB-CB 4.28Å; D150-V153 HydrophobicContact CB-CG2 3.96Å; D150-V153 PolarHBondContact OD1-N 2.85Å; D150-K154 WeakPolarHBondContact O-CG 3.38Å; D150-K154 PolarHBondContact O-N 3.06Å; D150-K154 PolarHBondContact O-NZ 2.96Å | ||
| 151 | N | 97.9 | Very high | 98 | Very high | 56 Ų | 56 | 35.9 Ų | 35.9 | 30% | 0.299 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -84 | -23.3 | -176.5 | -68.8 | -13.6 | 0 | 0 | 0 | 113.3 | K154 T155 I188 | N151-K154 PolarHBondContact OD1-NZ 3.47Å; N151-T155 VanDerWaalsContact O-CB 3.24Å; N151-T155 WeakPolarHBondContact O-CB 3.5Å; N151-T155 PolarHBondContact O-N 2.91Å; N151-T155 PolarHBondContact O-OG1 3.49Å; N151-I188 VanDerWaalsContact ND2-CG2 3.33Å; N151-I188 WeakPolarHBondContact ND2-CG2 3.5Å |
| 152 | S | 97.9 | Very high | 98.1 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.2 | -43.7 | 171.6 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | S114 D150 T155 Q156 | S114-S152 PolarHBondContact OG-OG 3.4Å; D150-S152 VanDerWaalsContact OD1-CA 3.25Å; D150-S152 WeakPolarHBondContact OD1-CA 3.31Å; D150-S152 WeakPolarHBondContact OD1-CB 3.17Å; D150-S152 PolarHBondContact OD1-N 3.43Å; S152-T155 PolarHBondContact O-N 3.33Å; S152-Q156 WeakPolarHBondContact O-CG 3.39Å; S152-Q156 PolarHBondContact O-N 3.26Å |
| 153 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.4 | -52.4 | 173 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | E110 K113 L117 M145 D148 D150 T155 Q156 A157 | E110-V153 HydrophobicContact CB-CG2 3.87Å; E110-V153 WeakPolarHBondContact O-CG2 3.42Å; K113-V153 HydrophobicContact CB-CG1 4.25Å; K113-V153 HydrophobicContact CB-CG2 3.83Å; K113-V153 HydrophobicContact CD-CG1 4.14Å; K113-V153 HydrophobicContact CD-CG2 4.23Å; L117-V153 HydrophobicContact CD1-CG1 3.92Å; M145-V153 HydrophobicContact CB-CG1 4.24Å; M145-V153 HydrophobicContact SD-CG1 4.36Å; D148-V153 HydrophobicContact CB-CB 4.09Å; D148-V153 HydrophobicContact CB-CG1 3.65Å; D150-V153 HydrophobicContact CB-CB 4.28Å; D150-V153 HydrophobicContact CB-CG2 3.96Å; D150-V153 PolarHBondContact OD1-N 2.85Å; V153-T155 VanDerWaalsContact C-N 3.3Å; V153-T155 PolarHBondContact O-N 2.9Å; V153-Q156 PolarHBondContact O-N 2.94Å; V153-A157 WeakPolarHBondContact O-CB 3.46Å; V153-A157 PolarHBondContact O-N 3.1Å |
| 154 | K | 98.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.7 | -45.9 | 174 | -69.1 | -177.1 | -164.2 | 77.7 | 0 | 112.3 | D148 K149 D150 N151 A157 L158 L184 I188 L193 | D148-K154 WeakPolarHBondContact O-CE 3.38Å; D148-K154 PolarHBondContact O-NZ 3.47Å; K149-K154 PolarHBondContact O-NZ 3.04Å; K149-K154 VanDerWaalsContact O-NZ 3.13Å; D150-K154 WeakPolarHBondContact O-CG 3.38Å; D150-K154 PolarHBondContact O-N 3.06Å; D150-K154 PolarHBondContact O-NZ 2.96Å; N151-K154 PolarHBondContact OD1-NZ 3.47Å; K154-A157 WeakPolarHBondContact O-CB 3.3Å; K154-A157 PolarHBondContact O-N 2.9Å; K154-L158 VanDerWaalsContact O-CG 3.3Å; K154-L158 WeakPolarHBondContact O-CG 3.49Å; K154-L158 PolarHBondContact O-N 2.9Å; K154-L184 HydrophobicContact CD-CD1 4.25Å; K154-L184 HydrophobicContact CD-CD2 3.78Å; K154-I188 HydrophobicContact CD-CD1 3.72Å; K154-L193 HydrophobicContact CB-CD1 4.1Å; K154-L193 HydrophobicContact CD-CD1 4.09Å |
| 155 | T | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | -176.7 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | N151 S152 V153 N159 E192 L193 A196 | N151-T155 VanDerWaalsContact O-CB 3.24Å; N151-T155 WeakPolarHBondContact O-CB 3.5Å; N151-T155 PolarHBondContact O-N 2.91Å; N151-T155 PolarHBondContact O-OG1 3.49Å; S152-T155 PolarHBondContact O-N 3.33Å; V153-T155 VanDerWaalsContact C-N 3.3Å; V153-T155 PolarHBondContact O-N 2.9Å; T155-N159 PolarHBondContact O-N 3.35Å; T155-N159 VanDerWaalsContact O-N 3.1Å; T155-N159 PolarHBondContact O-ND2 3.32Å; T155-E192 HydrophobicContact CG2-CB 3.97Å; T155-L193 WeakPolarHBondContact OG1-CA 3.33Å; T155-L193 WeakPolarHBondContact OG1-CB 3.29Å; T155-A196 HydrophobicContact CG2-CB 4.14Å |
| 156 | Q | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 31.4 Ų | 31.4 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.7 | -33.8 | 173.5 | -59.8 | -54.4 | -43.4 | 0 | 0 | 111.5 | S114 L117 H118 S152 V153 N159 T160 | S114-Q156 VanDerWaalsContact OG-CG 3.22Å; S114-Q156 WeakPolarHBondContact OG-CG 3.26Å; L117-Q156 HydrophobicContact CB-CB 3.51Å; L117-Q156 HydrophobicContact CD1-CB 4.25Å; H118-Q156 HydrophobicContact CB-CG 4.44Å; H118-Q156 PolarHBondContact ND1-OE1 3.33Å; S152-Q156 WeakPolarHBondContact O-CG 3.39Å; S152-Q156 PolarHBondContact O-N 3.26Å; V153-Q156 PolarHBondContact O-N 2.94Å; Q156-N159 PolarHBondContact O-N 2.88Å; Q156-T160 WeakPolarHBondContact O-CB 3.45Å; Q156-T160 PolarHBondContact O-N 3.21Å; Q156-T160 PolarHBondContact O-OG1 2.93Å |
| 157 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L117 M145 L146 V153 K154 N159 T160 L161 | L117-A157 HydrophobicContact CD1-CB 4.18Å; L117-A157 HydrophobicContact CD2-CB 4.49Å; M145-A157 HydrophobicContact CB-CB 3.57Å; L146-A157 HydrophobicContact CD2-CB 4.02Å; V153-A157 WeakPolarHBondContact O-CB 3.46Å; V153-A157 PolarHBondContact O-N 3.1Å; K154-A157 WeakPolarHBondContact O-CB 3.3Å; K154-A157 PolarHBondContact O-N 2.9Å; A157-N159 PolarHBondContact O-N 3.29Å; A157-T160 PolarHBondContact O-N 2.8Å; A157-T160 VanDerWaalsContact O-N 3.16Å; A157-L161 WeakPolarHBondContact O-CB 3.28Å; A157-L161 WeakPolarHBondContact O-CG 3.48Å; A157-L161 PolarHBondContact O-N 3.28Å |
| 158 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 174 | -70.9 | 168.4 | 0 | 0 | 0 | 112.2 | L146 K154 K162 V181 L193 A196 L200 | L146-L158 HydrophobicContact CD2-CD2 3.57Å; L146-L158 HydrophobicContact CD2-CG 3.69Å; K154-L158 VanDerWaalsContact O-CG 3.3Å; K154-L158 WeakPolarHBondContact O-CG 3.49Å; K154-L158 PolarHBondContact O-N 2.9Å; L158-K162 WeakPolarHBondContact O-CB 3.38Å; L158-K162 PolarHBondContact O-N 2.88Å; L158-V181 HydrophobicContact CD2-CB 4.4Å; L158-V181 HydrophobicContact CD2-CG1 3.88Å; L158-V181 HydrophobicContact CD2-CG2 3.78Å; L158-L193 HydrophobicContact CD1-CG 4.05Å; L158-A196 HydrophobicContact CB-CB 3.7Å; L158-A196 HydrophobicContact CD1-CB 4.28Å; L158-L200 HydrophobicContact CD2-CD2 3.87Å |
| 159 | N | 98.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 175 | -78.4 | -65.2 | 0 | 0 | 0 | 112.7 | T155 Q156 A157 K162 A163 A196 | T155-N159 PolarHBondContact O-N 3.35Å; T155-N159 VanDerWaalsContact O-N 3.1Å; T155-N159 PolarHBondContact O-ND2 3.32Å; Q156-N159 PolarHBondContact O-N 2.88Å; A157-N159 PolarHBondContact O-N 3.29Å; N159-K162 WeakPolarHBondContact O-CB 3.22Å; N159-K162 PolarHBondContact O-N 2.91Å; N159-A163 PolarHBondContact O-N 3.33Å; N159-A196 WeakPolarHBondContact ND2-CB 3.22Å |
| 160 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -47 | 177.1 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | L117 I120 T121 L142 Q156 A157 K162 A163 F164 | L117-T160 PolarHBondContact O-OG1 3Å; L117-T160 VanDerWaalsContact O-OG1 3.13Å; I120-T160 HydrophobicContact CB-CG2 4.13Å; I120-T160 HydrophobicContact CG2-CG2 3.43Å; I120-T160 VanDerWaalsContact CG2-CG2 3.43Å; T121-T160 VanDerWaalsContact OG1-CA 3.26Å; T121-T160 WeakPolarHBondContact OG1-CA 3.33Å; T121-T160 WeakPolarHBondContact OG1-CB 3.37Å; T121-T160 PolarHBondContact OG1-N 2.97Å; T121-T160 PolarHBondContact OG1-OG1 3.29Å; L142-T160 HydrophobicContact CD1-CG2 3.78Å; L142-T160 HydrophobicContact CD2-CG2 3.78Å; L142-T160 HydrophobicContact CG-CG2 4.41Å; Q156-T160 WeakPolarHBondContact O-CB 3.45Å; Q156-T160 PolarHBondContact O-N 3.21Å; Q156-T160 PolarHBondContact O-OG1 2.93Å; A157-T160 PolarHBondContact O-N 2.8Å; A157-T160 VanDerWaalsContact O-N 3.16Å; T160-K162 VanDerWaalsContact C-N 3.3Å; T160-K162 PolarHBondContact O-N 3.2Å; T160-A163 WeakPolarHBondContact O-CB 3.42Å; T160-A163 PolarHBondContact O-N 2.98Å; T160-F164 HydrophobicContact CG2-CD2 4.03Å; T160-F164 HydrophobicContact CG2-CE2 3.94Å; T160-F164 WeakPolarHBondContact O-CD2 3.3Å; T160-F164 PolarHBondContact O-N 3.33Å |
| 161 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 174.9 | -71.2 | 169.8 | 0 | 0 | 0 | 111.6 | I139 L142 L146 A157 F164 S165 I174 L200 | I139-L161 HydrophobicContact CG2-CD2 4.06Å; L142-L161 HydrophobicContact CB-CD2 3.89Å; L142-L161 HydrophobicContact CB-CG 4.31Å; L146-L161 HydrophobicContact CD1-CD1 3.86Å; L146-L161 HydrophobicContact CD2-CD1 4.17Å; L146-L161 HydrophobicContact CG-CD1 4.15Å; A157-L161 WeakPolarHBondContact O-CB 3.28Å; A157-L161 WeakPolarHBondContact O-CG 3.48Å; A157-L161 PolarHBondContact O-N 3.28Å; L161-F164 PolarHBondContact O-N 3.16Å; L161-S165 WeakPolarHBondContact O-CB 3.4Å; L161-S165 PolarHBondContact O-N 3.28Å; L161-I174 HydrophobicContact CB-CG2 4.15Å; L161-I174 HydrophobicContact CD2-CG1 4.28Å; L161-I174 HydrophobicContact CD2-CG2 4.4Å; L161-L200 HydrophobicContact CB-CD1 4.35Å; L161-L200 HydrophobicContact CB-CD2 3.91Å; L161-L200 HydrophobicContact CD1-CD2 4.46Å |
| 162 | K | 98.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 22% | 0.222 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 169.6 | -170.5 | -54.8 | -156 | 173.1 | 0 | 109.9 | Y125 L158 N159 T160 F164 S165 R199 L200 | Y125-K162 PolarHBondContact OH-NZ 3.05Å; L158-K162 WeakPolarHBondContact O-CB 3.38Å; L158-K162 PolarHBondContact O-N 2.88Å; N159-K162 WeakPolarHBondContact O-CB 3.22Å; N159-K162 PolarHBondContact O-N 2.91Å; T160-K162 VanDerWaalsContact C-N 3.3Å; T160-K162 PolarHBondContact O-N 3.2Å; K162-F164 VanDerWaalsContact C-N 3.34Å; K162-F164 PolarHBondContact O-N 3.44Å; K162-S165 PolarHBondContact O-N 3.34Å; K162-S165 VanDerWaalsContact O-N 3.07Å; K162-S165 PolarHBondContact O-OG 2.9Å; K162-R199 HydrophobicContact CG-CB 4.33Å; K162-L200 HydrophobicContact CB-CB 4.34Å; K162-L200 HydrophobicContact CB-CD1 4.34Å |
| 163 | A | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.7 | -48.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T121 V124 Y125 N159 T160 S165 G166 | T121-A163 HydrophobicContact CG2-CB 4.34Å; V124-A163 HydrophobicContact CB-CB 3.91Å; V124-A163 HydrophobicContact CG1-CB 3.6Å; Y125-A163 HydrophobicContact CD2-CB 4.27Å; Y125-A163 HydrophobicContact CE1-CB 4.26Å; Y125-A163 HydrophobicContact CE2-CB 3.69Å; N159-A163 PolarHBondContact O-N 3.33Å; T160-A163 WeakPolarHBondContact O-CB 3.42Å; T160-A163 PolarHBondContact O-N 2.98Å; A163-S165 VanDerWaalsContact C-N 3.31Å; A163-S165 PolarHBondContact O-N 3.31Å; A163-G166 PolarHBondContact O-N 3.45Å |
| 164 | F | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -26.4 | 175.6 | -79.1 | -71.5 | 0 | 0 | 0 | 114.1 | L97 I120 V124 A131 C134 I139 L142 T160 L161 K162 G166 I167 F170 I174 | L97-F164 HydrophobicContact CD2-CZ 4.44Å; I120-F164 HydrophobicContact CG2-CE2 4.02Å; V124-F164 HydrophobicContact CG1-CD1 4.25Å; V124-F164 HydrophobicContact CG1-CG 4.35Å; V124-F164 HydrophobicContact CG2-CD1 4.13Å; V124-F164 HydrophobicContact CG2-CD2 3.94Å; V124-F164 HydrophobicContact CG2-CE1 3.7Å; V124-F164 HydrophobicContact CG2-CE2 3.45Å; V124-F164 VanDerWaalsContact CG2-CE2 3.45Å; V124-F164 HydrophobicContact CG2-CG 4.26Å; V124-F164 HydrophobicContact CG2-CZ 3.34Å; A131-F164 HydrophobicContact CB-CE1 4.36Å; C134-F164 HydrophobicContact CB-CE1 4.01Å; C134-F164 HydrophobicContact CB-CZ 4.47Å; I139-F164 HydrophobicContact CD1-CB 3.75Å; I139-F164 HydrophobicContact CD1-CD1 3.89Å; I139-F164 HydrophobicContact CD1-CD2 3.95Å; I139-F164 HydrophobicContact CD1-CE1 4.43Å; I139-F164 HydrophobicContact CD1-CE2 4.5Å; I139-F164 HydrophobicContact CD1-CG 3.61Å; L142-F164 HydrophobicContact CD1-CD2 3.66Å; L142-F164 HydrophobicContact CD1-CE2 3.41Å; L142-F164 VanDerWaalsContact CD1-CE2 3.41Å; L142-F164 HydrophobicContact CD1-CZ 4.41Å; T160-F164 HydrophobicContact CG2-CD2 4.03Å; T160-F164 HydrophobicContact CG2-CE2 3.94Å; T160-F164 WeakPolarHBondContact O-CD2 3.3Å; T160-F164 PolarHBondContact O-N 3.33Å; L161-F164 PolarHBondContact O-N 3.16Å; K162-F164 VanDerWaalsContact C-N 3.34Å; K162-F164 PolarHBondContact O-N 3.44Å; F164-G166 PolarHBondContact O-N 3.41Å; F164-I167 HydrophobicContact CD1-CD1 4.25Å; F164-I167 WeakPolarHBondContact O-CB 3.02Å; F164-I167 PolarHBondContact O-N 2.95Å; F164-F170 HydrophobicContact CB-CD2 4.17Å; F164-F170 AromaticContact CD1-CD2 3.63Å; F164-F170 HydrophobicContact CD1-CD2 3.63Å; F164-F170 AromaticContact CD1-CE2 3.51Å; F164-F170 HydrophobicContact CD1-CE2 3.51Å; F164-F170 HydrophobicContact CD1-CZ 4.42Å; F164-F170 HydrophobicContact CE1-CD2 4.47Å; F164-F170 AromaticContact CE1-CE2 3.93Å; F164-F170 HydrophobicContact CE1-CE2 3.93Å; F164-F170 HydrophobicContact CG-CD2 4.33Å; F164-I174 HydrophobicContact CB-CD1 3.83Å |
| 165 | S | 96.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -17.6 | 178.6 | 90.9 | 0 | 0 | 0 | 0 | 113.5 | L161 K162 A163 I167 R171 | L161-S165 WeakPolarHBondContact O-CB 3.4Å; L161-S165 PolarHBondContact O-N 3.28Å; K162-S165 PolarHBondContact O-N 3.34Å; K162-S165 VanDerWaalsContact O-N 3.07Å; K162-S165 PolarHBondContact O-OG 2.9Å; A163-S165 VanDerWaalsContact C-N 3.31Å; A163-S165 PolarHBondContact O-N 3.31Å; S165-I167 VanDerWaalsContact C-N 3.28Å; S165-I167 PolarHBondContact O-N 2.67Å; S165-R171 VanDerWaalsContact O-CZ 3.29Å; S165-R171 PolarHBondContact O-NE 2.93Å; S165-R171 PolarHBondContact O-NH2 2.95Å |
| 166 | G | 95.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 56% | 0.557 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -37.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A163 F164 R168 R171 | A163-G166 PolarHBondContact O-N 3.45Å; F164-G166 PolarHBondContact O-N 3.41Å; G166-R168 PolarHBondContact O-N 2.72Å; G166-R171 PolarHBondContact O-NH2 2.71Å |
| 167 | I | 95.9 | Very high | 97.2 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.169 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -80.6 | 113.8 | -178 | -50.4 | -179.8 | 0 | 0 | 0 | 109.4 | A131 F164 S165 K169 F170 | A131-I167 HydrophobicContact CB-CD1 3.59Å; F164-I167 HydrophobicContact CD1-CD1 4.25Å; F164-I167 WeakPolarHBondContact O-CB 3.02Å; F164-I167 PolarHBondContact O-N 2.95Å; S165-I167 VanDerWaalsContact C-N 3.28Å; S165-I167 PolarHBondContact O-N 2.67Å; I167-K169 HydrophobicContact CG2-CG 4.13Å; I167-K169 PolarHBondContact O-N 3.3Å; I167-F170 HydrophobicContact CB-CD2 3.88Å; I167-F170 HydrophobicContact CB-CE2 4.28Å; I167-F170 HydrophobicContact CD1-CD2 4.37Å; I167-F170 HydrophobicContact CD1-CE2 4.09Å; I167-F170 HydrophobicContact CG2-CD2 4.09Å; I167-F170 HydrophobicContact CG2-CE2 4.16Å; I167-F170 PolarHBondContact O-N 2.97Å; I167-F170 VanDerWaalsContact O-N 3.11Å |
| 168 | R | 95.4 | Very high | 97.1 | Very high | 219 Ų | 219 | 44.4 Ų | 44.4 | 83% | 0.826 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -35.4 | -169.5 | -175.4 | 176.8 | 177.1 | 176.7 | -0.9 | 114.3 | G166 F170 | G166-R168 PolarHBondContact O-N 2.72Å; R168-F170 VanDerWaalsContact C-N 3.35Å; R168-F170 PolarHBondContact O-N 3.06Å |
| 169 | K | 96.1 | Very high | 97.1 | Very high | 115 Ų | 115 | 47.8 Ų | 47.8 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -28.3 | -176 | 77.1 | 179.2 | -165.7 | 171.5 | 0 | 114 | S132 C134 I167 | S132-K169 WeakPolarHBondContact O-CE 3.48Å; S132-K169 PolarHBondContact O-NZ 3.44Å; C134-K169 WeakPolarHBondContact O-CE 3.16Å; C134-K169 PolarHBondContact O-NZ 3.4Å; I167-K169 HydrophobicContact CG2-CG 4.13Å; I167-K169 PolarHBondContact O-N 3.3Å |
| 170 | F | 97.4 | Very high | 97 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -17.7 | -178.7 | -58 | -53 | 0 | 0 | 0 | 113.9 | A131 C134 T135 I139 F164 I167 R168 L172 K173 I174 | A131-F170 WeakPolarHBondContact O-CE2 3.43Å; C134-F170 HydrophobicContact CB-CE1 4.47Å; C134-F170 HydrophobicContact CB-CE2 4.27Å; C134-F170 HydrophobicContact CB-CZ 3.61Å; C134-F170 VanDerWaalsContact O-CZ 3.3Å; C134-F170 WeakPolarHBondContact O-CZ 3.48Å; T135-F170 WeakPolarHBondContact O-CE1 3.49Å; I139-F170 HydrophobicContact CD1-CB 4.08Å; I139-F170 HydrophobicContact CD1-CD1 3.94Å; I139-F170 HydrophobicContact CD1-CD2 4.07Å; I139-F170 HydrophobicContact CD1-CE1 4.34Å; I139-F170 HydrophobicContact CD1-CE2 4.48Å; I139-F170 HydrophobicContact CD1-CG 3.78Å; I139-F170 HydrophobicContact CG1-CB 4.09Å; I139-F170 HydrophobicContact CG1-CD1 3.49Å; I139-F170 VanDerWaalsContact CG1-CD1 3.49Å; I139-F170 HydrophobicContact CG1-CE1 3.97Å; I139-F170 HydrophobicContact CG1-CG 3.81Å; F164-F170 HydrophobicContact CB-CD2 4.17Å; F164-F170 AromaticContact CD1-CD2 3.63Å; F164-F170 HydrophobicContact CD1-CD2 3.63Å; F164-F170 AromaticContact CD1-CE2 3.51Å; F164-F170 HydrophobicContact CD1-CE2 3.51Å; F164-F170 HydrophobicContact CD1-CZ 4.42Å; F164-F170 HydrophobicContact CE1-CD2 4.47Å; F164-F170 AromaticContact CE1-CE2 3.93Å; F164-F170 HydrophobicContact CE1-CE2 3.93Å; F164-F170 HydrophobicContact CG-CD2 4.33Å; I167-F170 HydrophobicContact CB-CD2 3.88Å; I167-F170 HydrophobicContact CB-CE2 4.28Å; I167-F170 HydrophobicContact CD1-CD2 4.37Å; I167-F170 HydrophobicContact CD1-CE2 4.09Å; I167-F170 HydrophobicContact CG2-CD2 4.09Å; I167-F170 HydrophobicContact CG2-CE2 4.16Å; I167-F170 PolarHBondContact O-N 2.97Å; I167-F170 VanDerWaalsContact O-N 3.11Å; R168-F170 VanDerWaalsContact C-N 3.35Å; R168-F170 PolarHBondContact O-N 3.06Å; F170-L172 VanDerWaalsContact C-N 3.28Å; F170-L172 PolarHBondContact O-N 2.72Å; F170-L172 VanDerWaalsContact O-N 3.15Å; F170-K173 WeakPolarHBondContact O-CA 3.09Å; F170-K173 WeakPolarHBondContact O-CB 3.43Å; F170-K173 PolarHBondContact O-N 3.47Å; F170-I174 HydrophobicContact CB-CD1 3.66Å; F170-I174 HydrophobicContact CB-CG1 4.24Å; F170-I174 WeakPolarHBondContact O-CG1 3.31Å; F170-I174 PolarHBondContact O-N 3Å |
| 171 | R | 95.5 | Very high | 97 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.2 | -39.6 | -168.9 | -166.6 | 171 | -62.4 | 154.2 | 5.6 | 113.7 | S165 G166 Q175 L204 | S165-R171 VanDerWaalsContact O-CZ 3.29Å; S165-R171 PolarHBondContact O-NE 2.93Å; S165-R171 PolarHBondContact O-NH2 2.95Å; G166-R171 PolarHBondContact O-NH2 2.71Å; R171-Q175 VanDerWaalsContact O-CB 3.28Å; R171-Q175 WeakPolarHBondContact O-CB 3.23Å; R171-Q175 PolarHBondContact O-N 3.3Å; R171-L204 HydrophobicContact CG-CD2 3.97Å |
| 172 | L | 94.7 | Very high | 97 | Very high | 125 Ų | 125 | 48.4 Ų | 48.4 | 65% | 0.654 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -69 | -35.6 | 176.1 | -63.5 | 178.7 | 0 | 0 | 0 | 112.7 | F170 Q175 | F170-L172 VanDerWaalsContact C-N 3.28Å; F170-L172 PolarHBondContact O-N 2.72Å; F170-L172 VanDerWaalsContact O-N 3.15Å; L172-Q175 WeakPolarHBondContact O-CB 3.16Å; L172-Q175 PolarHBondContact O-N 2.6Å |
| 173 | K | 96.9 | Very high | 97 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.9 | -42 | 177.4 | -171 | 49 | 168.2 | 176 | 0 | 111.2 | I139 F170 Q175 E176 | I139-K173 HydrophobicContact CB-CG 4.21Å; I139-K173 HydrophobicContact CG2-CB 4.32Å; I139-K173 HydrophobicContact CG2-CG 3.92Å; F170-K173 WeakPolarHBondContact O-CA 3.09Å; F170-K173 WeakPolarHBondContact O-CB 3.43Å; F170-K173 PolarHBondContact O-N 3.47Å; K173-Q175 VanDerWaalsContact C-N 3.28Å; K173-Q175 PolarHBondContact O-N 2.89Å; K173-E176 VanDerWaalsContact CD-CD 3.49Å; K173-E176 HydrophobicContact CD-CG 4.45Å; K173-E176 WeakPolarHBondContact CD-OE1 3.39Å; K173-E176 IonicContact NZ-OE1 3.3Å; K173-E176 PolarHBondContact NZ-OE1 3.12Å; K173-E176 IonicContact NZ-OE2 3.67Å; K173-E176 PolarHBondContact NZ-OE2 2.95Å; K173-E176 WeakPolarHBondContact O-CB 3.39Å; K173-E176 PolarHBondContact O-N 3.39Å |
| 174 | I | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -35 | 176.4 | -60.2 | 161.4 | 0 | 0 | 0 | 111.1 | I139 L161 F164 F170 E176 H177 L200 L204 | I139-I174 HydrophobicContact CG2-CG1 3.58Å; L161-I174 HydrophobicContact CB-CG2 4.15Å; L161-I174 HydrophobicContact CD2-CG1 4.28Å; L161-I174 HydrophobicContact CD2-CG2 4.4Å; F164-I174 HydrophobicContact CB-CD1 3.83Å; F170-I174 HydrophobicContact CB-CD1 3.66Å; F170-I174 HydrophobicContact CB-CG1 4.24Å; F170-I174 WeakPolarHBondContact O-CG1 3.31Å; F170-I174 PolarHBondContact O-N 3Å; I174-E176 PolarHBondContact O-N 2.98Å; I174-H177 PolarHBondContact O-N 2.94Å; I174-L200 HydrophobicContact CG2-CD1 3.78Å; I174-L204 HydrophobicContact CB-CD2 4.27Å; I174-L204 HydrophobicContact CG2-CD1 4.27Å; I174-L204 HydrophobicContact CG2-CD2 4.02Å |
| 175 | Q | 97.1 | Very high | 97 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -25.2 | 176 | 176.4 | -171.5 | -23.4 | 0 | 0 | 113.6 | R171 L172 K173 H177 S178 L204 P205 | R171-Q175 VanDerWaalsContact O-CB 3.28Å; R171-Q175 WeakPolarHBondContact O-CB 3.23Å; R171-Q175 PolarHBondContact O-N 3.3Å; L172-Q175 WeakPolarHBondContact O-CB 3.16Å; L172-Q175 PolarHBondContact O-N 2.6Å; K173-Q175 VanDerWaalsContact C-N 3.28Å; K173-Q175 PolarHBondContact O-N 2.89Å; Q175-H177 PolarHBondContact O-N 2.98Å; Q175-S178 WeakPolarHBondContact O-CB 3.37Å; Q175-S178 PolarHBondContact O-N 3.33Å; Q175-S178 VanDerWaalsContact O-N 3.11Å; Q175-S178 PolarHBondContact O-OG 3.39Å; Q175-L204 HydrophobicContact CB-CD2 4.46Å; Q175-P205 VanDerWaalsContact CD-O 3.27Å; Q175-P205 PolarHBondContact NE2-O 2.77Å |
| 176 | E | 95.9 | Very high | 97 | Very high | 102 Ų | 102 | 51.3 Ų | 51.3 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.2 | -36.4 | 173.7 | -63.2 | 177.5 | -153.6 | 0 | 0 | 111.7 | K173 I174 S178 | K173-E176 VanDerWaalsContact CD-CD 3.49Å; K173-E176 HydrophobicContact CD-CG 4.45Å; K173-E176 WeakPolarHBondContact CD-OE1 3.39Å; K173-E176 IonicContact NZ-OE1 3.3Å; K173-E176 PolarHBondContact NZ-OE1 3.12Å; K173-E176 IonicContact NZ-OE2 3.67Å; K173-E176 PolarHBondContact NZ-OE2 2.95Å; K173-E176 WeakPolarHBondContact O-CB 3.39Å; K173-E176 PolarHBondContact O-N 3.39Å; I174-E176 PolarHBondContact O-N 2.98Å; E176-S178 PolarHBondContact O-N 3.02Å |
| 177 | H | 97.2 | Very high | 97.1 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 17% | 0.167 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.3 | 179.2 | -56.5 | -73.9 | 0 | 0 | 0 | 113.9 | L146 I174 Q175 I179 K180 V181 | L146-H177 HydrophobicContact CD1-CB 4Å; I174-H177 PolarHBondContact O-N 2.94Å; Q175-H177 PolarHBondContact O-N 2.98Å; H177-I179 VanDerWaalsContact C-N 3.27Å; H177-I179 PolarHBondContact O-N 3.4Å; H177-I179 VanDerWaalsContact O-N 3.15Å; H177-K180 WeakPolarHBondContact O-CA 3.39Å; H177-K180 WeakPolarHBondContact O-CB 3.3Å; H177-K180 PolarHBondContact O-N 3.5Å; H177-V181 WeakPolarHBondContact O-CG2 3.3Å; H177-V181 PolarHBondContact O-N 3.25Å |
| 178 | S | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.8 | -37.9 | -174.6 | 54 | 0 | 0 | 0 | 0 | 114 | Q175 E176 V181 L182 | Q175-S178 WeakPolarHBondContact O-CB 3.37Å; Q175-S178 PolarHBondContact O-N 3.33Å; Q175-S178 VanDerWaalsContact O-N 3.11Å; Q175-S178 PolarHBondContact O-OG 3.39Å; E176-S178 PolarHBondContact O-N 3.02Å; S178-V181 PolarHBondContact O-N 3.07Å; S178-L182 VanDerWaalsContact O-CG 3.28Å; S178-L182 WeakPolarHBondContact O-CG 3.39Å; S178-L182 PolarHBondContact O-N 3.3Å |
| 179 | I | 97.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 50 Ų | 50 | 36% | 0.359 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.9 | -66.1 | 175.7 | 0 | 0 | 0 | 111.2 | H177 L182 E183 Y209 V210 Q213 | H177-I179 VanDerWaalsContact C-N 3.27Å; H177-I179 PolarHBondContact O-N 3.4Å; H177-I179 VanDerWaalsContact O-N 3.15Å; I179-L182 PolarHBondContact O-N 3.27Å; I179-E183 PolarHBondContact O-N 3.07Å; I179-Y209 HydrophobicContact CD1-CD2 4.41Å; I179-Y209 HydrophobicContact CD1-CE2 4.19Å; I179-V210 HydrophobicContact CG1-CG1 4.38Å; I179-V210 HydrophobicContact CG1-CG2 4.17Å; I179-Q213 HydrophobicContact CG2-CG 4.34Å |
| 180 | K | 98 | Very high | 97.2 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 176.1 | -176.7 | 68.5 | -171.5 | -170.3 | 0 | 111.6 | L146 D147 H177 L182 E183 L184 | L146-K180 HydrophobicContact CB-CG 4.07Å; L146-K180 HydrophobicContact CD1-CG 4.36Å; D147-K180 WeakPolarHBondContact OD1-CE 3.44Å; D147-K180 IonicContact OD1-NZ 3.18Å; D147-K180 PolarHBondContact OD1-NZ 2.99Å; H177-K180 WeakPolarHBondContact O-CA 3.39Å; H177-K180 WeakPolarHBondContact O-CB 3.3Å; H177-K180 PolarHBondContact O-N 3.5Å; K180-L182 VanDerWaalsContact C-N 3.32Å; K180-L182 PolarHBondContact O-N 2.95Å; K180-E183 WeakPolarHBondContact CE-OE1 3.25Å; K180-E183 IonicContact NZ-OE1 3.91Å; K180-E183 PolarHBondContact NZ-OE1 2.86Å; K180-E183 WeakPolarHBondContact O-CB 3.38Å; K180-E183 PolarHBondContact O-N 2.91Å; K180-L184 HydrophobicContact CG-CD1 4.41Å; K180-L184 HydrophobicContact CG-CG 4.49Å; K180-L184 VanDerWaalsContact O-CG 3.3Å; K180-L184 WeakPolarHBondContact O-CG 3.23Å; K180-L184 PolarHBondContact O-N 2.67Å |
| 181 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 111 | L146 L158 H177 S178 L184 I185 L200 L201 | L146-V181 HydrophobicContact CD1-CG2 4.35Å; L158-V181 HydrophobicContact CD2-CB 4.4Å; L158-V181 HydrophobicContact CD2-CG1 3.88Å; L158-V181 HydrophobicContact CD2-CG2 3.78Å; H177-V181 WeakPolarHBondContact O-CG2 3.3Å; H177-V181 PolarHBondContact O-N 3.25Å; S178-V181 PolarHBondContact O-N 3.07Å; V181-L184 PolarHBondContact O-N 3.37Å; V181-I185 WeakPolarHBondContact O-CG1 3.48Å; V181-I185 PolarHBondContact O-N 3.42Å; V181-I185 VanDerWaalsContact O-N 3.16Å; V181-L200 HydrophobicContact CG2-CD2 3.84Å; V181-L201 HydrophobicContact CB-CD2 4.29Å; V181-L201 HydrophobicContact CB-CG 4.42Å; V181-L201 HydrophobicContact CG1-CD1 3.91Å; V181-L201 HydrophobicContact CG1-CD2 4.22Å; V181-L201 HydrophobicContact CG1-CG 3.81Å |
| 182 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 174.9 | -67.2 | 169 | 0 | 0 | 0 | 112.4 | S178 I179 K180 I185 S186 L201 V210 Q213 L214 V217 | S178-L182 VanDerWaalsContact O-CG 3.28Å; S178-L182 WeakPolarHBondContact O-CG 3.39Å; S178-L182 PolarHBondContact O-N 3.3Å; I179-L182 PolarHBondContact O-N 3.27Å; K180-L182 VanDerWaalsContact C-N 3.32Å; K180-L182 PolarHBondContact O-N 2.95Å; L182-I185 HydrophobicContact CD2-CD1 4.21Å; L182-I185 WeakPolarHBondContact O-CG1 3.44Å; L182-S186 WeakPolarHBondContact O-CB 3.28Å; L182-S186 PolarHBondContact O-N 3.37Å; L182-S186 PolarHBondContact O-OG 3.18Å; L182-S186 VanDerWaalsContact O-OG 3.12Å; L182-L201 HydrophobicContact CD2-CD1 3.58Å; L182-L201 HydrophobicContact CD2-CD2 4.23Å; L182-L201 HydrophobicContact CG-CD1 4.25Å; L182-L201 HydrophobicContact CG-CD2 4.27Å; L182-V210 HydrophobicContact CD1-CG1 3.32Å; L182-Q213 HydrophobicContact CB-CG 4.09Å; L182-Q213 HydrophobicContact CD1-CB 4.46Å; L182-Q213 HydrophobicContact CD1-CG 4.17Å; L182-L214 HydrophobicContact CD1-CD2 3.86Å; L182-L214 HydrophobicContact CD1-CG 3.9Å; L182-L214 HydrophobicContact CD2-CD2 3.69Å; L182-L214 HydrophobicContact CG-CD2 4.47Å; L182-V217 HydrophobicContact CB-CG1 4.42Å; L182-V217 HydrophobicContact CB-CG2 4.27Å; L182-V217 HydrophobicContact CD2-CG2 3.92Å |
| 183 | E | 98.1 | Very high | 97.5 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.2 | -53.1 | 171.7 | 178.7 | -165.5 | 123.7 | 0 | 0 | 111 | I179 K180 I185 S186 T187 | I179-E183 PolarHBondContact O-N 3.07Å; K180-E183 WeakPolarHBondContact CE-OE1 3.25Å; K180-E183 IonicContact NZ-OE1 3.91Å; K180-E183 PolarHBondContact NZ-OE1 2.86Å; K180-E183 WeakPolarHBondContact O-CB 3.38Å; K180-E183 PolarHBondContact O-N 2.91Å; E183-I185 PolarHBondContact O-N 3.32Å; E183-S186 PolarHBondContact O-N 2.82Å; E183-S186 PolarHBondContact O-OG 3.41Å; E183-T187 WeakPolarHBondContact O-CG2 3.12Å; E183-T187 PolarHBondContact O-N 3.14Å; E183-T187 PolarHBondContact O-OG1 3.19Å |
| 184 | L | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | -177 | -69.3 | 177 | 0 | 0 | 0 | 112.6 | L146 K154 K180 V181 S186 T187 I188 L193 | L146-L184 HydrophobicContact CB-CD1 4.15Å; L146-L184 HydrophobicContact CD2-CD1 4.27Å; K154-L184 HydrophobicContact CD-CD1 4.25Å; K154-L184 HydrophobicContact CD-CD2 3.78Å; K180-L184 HydrophobicContact CG-CD1 4.41Å; K180-L184 HydrophobicContact CG-CG 4.49Å; K180-L184 VanDerWaalsContact O-CG 3.3Å; K180-L184 WeakPolarHBondContact O-CG 3.23Å; K180-L184 PolarHBondContact O-N 2.67Å; V181-L184 PolarHBondContact O-N 3.37Å; L184-S186 PolarHBondContact O-N 3.19Å; L184-T187 PolarHBondContact O-N 3.1Å; L184-T187 PolarHBondContact O-OG1 3Å; L184-I188 HydrophobicContact CD2-CD1 3.73Å; L184-I188 PolarHBondContact O-N 2.7Å; L184-L193 HydrophobicContact CB-CD2 4.25Å |
| 185 | I | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -10 | 178.3 | 68.4 | 176.5 | 0 | 0 | 0 | 114.1 | V181 L182 E183 L193 L198 L201 L221 | V181-I185 WeakPolarHBondContact O-CG1 3.48Å; V181-I185 PolarHBondContact O-N 3.42Å; V181-I185 VanDerWaalsContact O-N 3.16Å; L182-I185 HydrophobicContact CD2-CD1 4.21Å; L182-I185 WeakPolarHBondContact O-CG1 3.44Å; E183-I185 PolarHBondContact O-N 3.32Å; I185-L193 HydrophobicContact CG2-CD2 4.24Å; I185-L198 HydrophobicContact CD1-CD2 3.67Å; I185-L198 HydrophobicContact CD1-CG 4.31Å; I185-L201 HydrophobicContact CD1-CD1 3.72Å; I185-L221 HydrophobicContact CD1-CD2 3.7Å |
| 186 | S | 97.5 | Very high | 97.7 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -100 | -5.3 | 176.1 | 71 | 0 | 0 | 0 | 0 | 113.7 | L182 E183 L184 | L182-S186 WeakPolarHBondContact O-CB 3.28Å; L182-S186 PolarHBondContact O-N 3.37Å; L182-S186 PolarHBondContact O-OG 3.18Å; L182-S186 VanDerWaalsContact O-OG 3.12Å; E183-S186 PolarHBondContact O-N 2.82Å; E183-S186 PolarHBondContact O-OG 3.41Å; L184-S186 PolarHBondContact O-N 3.19Å |
| 187 | T | 97.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 35.8 Ų | 35.8 | 57% | 0.571 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -131.3 | -25.2 | -171.3 | 53 | 0 | 0 | 0 | 0 | 114.2 | E183 L184 | E183-T187 WeakPolarHBondContact O-CG2 3.12Å; E183-T187 PolarHBondContact O-N 3.14Å; E183-T187 PolarHBondContact O-OG1 3.19Å; L184-T187 PolarHBondContact O-N 3.1Å; L184-T187 PolarHBondContact O-OG1 3Å |
| 188 | I | 97.2 | Very high | 97.9 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 15% | 0.154 | 17% | 0.17 | C | C | . | . | trans | -114.5 | 103 | -179 | -51.9 | -176 | 0 | 0 | 0 | 109.5 | N151 K154 L184 D190 L193 H194 | N151-I188 VanDerWaalsContact ND2-CG2 3.33Å; N151-I188 WeakPolarHBondContact ND2-CG2 3.5Å; K154-I188 HydrophobicContact CD-CD1 3.72Å; L184-I188 HydrophobicContact CD2-CD1 3.73Å; L184-I188 PolarHBondContact O-N 2.7Å; I188-D190 HydrophobicContact CG2-CB 4.19Å; I188-D190 PolarHBondContact O-N 3.46Å; I188-L193 HydrophobicContact CB-CD1 4.17Å; I188-L193 HydrophobicContact CB-CD2 4.34Å; I188-L193 HydrophobicContact CD1-CD1 4.11Å; I188-L193 HydrophobicContact CG2-CD1 4Å; I188-H194 PolarHBondContact O-NE2 2.83Å; I188-H194 VanDerWaalsContact O-NE2 3.14Å | ||
| 189 | W | 96.1 | Very high | 97.9 | Very high | 154 Ų | 154 | 37.9 Ų | 37.9 | 58% | 0.583 | 18% | 0.184 | S | C | * | . | trans | -79.4 | 59.5 | -176 | -139.2 | -113 | 0 | 0 | 0 | 113 | H194 A220 E223 I224 | W189-H194 AromaticContact CD2-CE1 3.58Å; W189-H194 AromaticContact CE2-CE1 3.98Å; W189-H194 AromaticContact CE3-CE1 3.47Å; W189-H194 VanDerWaalsContact CE3-CE1 3.47Å; W189-H194 AromaticContact CE3-NE2 3.55Å; W189-H194 AromaticContact CZ3-CE1 3.78Å; W189-H194 AromaticContact CZ3-NE2 3.86Å; W189-A220 HydrophobicContact CZ3-CB 4.33Å; W189-E223 HydrophobicContact CH2-CB 3.71Å; W189-E223 HydrophobicContact CZ2-CB 3.84Å; W189-I224 HydrophobicContact CH2-CD1 4.43Å; W189-I224 HydrophobicContact CH2-CG1 3.67Å; W189-I224 HydrophobicContact CZ2-CG1 4.2Å; W189-I224 HydrophobicContact CZ3-CD1 4.46Å; W189-I224 HydrophobicContact CZ3-CG1 4.15Å | ||
| 190 | D | 97.2 | Very high | 98 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 31% | 0.31 | 17% | 0.167 | S | C | . | . | trans | -114 | 127.1 | 177.2 | 178.7 | -75.9 | 0 | 0 | 0 | 110.6 | I188 E192 L193 H194 | I188-D190 HydrophobicContact CG2-CB 4.19Å; I188-D190 PolarHBondContact O-N 3.46Å; D190-E192 PolarHBondContact O-N 2.87Å; D190-E192 PolarHBondContact OD1-N 2.99Å; D190-L193 HydrophobicContact CB-CB 3.89Å; D190-L193 PolarHBondContact O-N 3.06Å; D190-L193 PolarHBondContact OD1-N 3.24Å; D190-H194 WeakPolarHBondContact O-CB 3.37Å; D190-H194 PolarHBondContact O-N 3.06Å | ||
| 191 | T | 97.1 | Very high | 98 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 20% | 0.202 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | -173.4 | -56.5 | 0 | 0 | 0 | 0 | 113.2 | H194 I195 Y229 | T191-H194 PolarHBondContact O-N 3.2Å; T191-I195 HydrophobicContact CG2-CD1 3.85Å; T191-I195 WeakPolarHBondContact O-CB 3.43Å; T191-I195 WeakPolarHBondContact O-CD1 3.23Å; T191-I195 WeakPolarHBondContact O-CG1 3.2Å; T191-I195 PolarHBondContact O-N 2.88Å; T191-Y229 HydrophobicContact CG2-CD1 3.62Å; T191-Y229 HydrophobicContact CG2-CD2 4.06Å; T191-Y229 HydrophobicContact CG2-CE1 4.16Å; T191-Y229 HydrophobicContact CG2-CG 3.56Å; T191-Y229 WeakPolarHBondContact OG1-CE2 2.99Å |
| 192 | E | 98 | Very high | 98 | Very high | 104 Ų | 104 | 34.9 Ų | 34.9 | 49% | 0.486 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -74.3 | -35.3 | -179.9 | -71.8 | -61.8 | 133.2 | 0 | 0 | 111.1 | T155 D190 I195 A196 | T155-E192 HydrophobicContact CG2-CB 3.97Å; D190-E192 PolarHBondContact O-N 2.87Å; D190-E192 PolarHBondContact OD1-N 2.99Å; E192-I195 PolarHBondContact O-N 2.92Å; E192-A196 VanDerWaalsContact O-CB 3.27Å; E192-A196 WeakPolarHBondContact O-CB 3.27Å; E192-A196 PolarHBondContact O-N 2.97Å |
| 193 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -46 | 171.1 | -172.8 | 147.3 | 0 | 0 | 0 | 111.5 | K154 T155 L158 L184 I185 I188 D190 I195 A196 G197 | K154-L193 HydrophobicContact CB-CD1 4.1Å; K154-L193 HydrophobicContact CD-CD1 4.09Å; T155-L193 WeakPolarHBondContact OG1-CA 3.33Å; T155-L193 WeakPolarHBondContact OG1-CB 3.29Å; L158-L193 HydrophobicContact CD1-CG 4.05Å; L184-L193 HydrophobicContact CB-CD2 4.25Å; I185-L193 HydrophobicContact CG2-CD2 4.24Å; I188-L193 HydrophobicContact CB-CD1 4.17Å; I188-L193 HydrophobicContact CB-CD2 4.34Å; I188-L193 HydrophobicContact CD1-CD1 4.11Å; I188-L193 HydrophobicContact CG2-CD1 4Å; D190-L193 HydrophobicContact CB-CB 3.89Å; D190-L193 PolarHBondContact O-N 3.06Å; D190-L193 PolarHBondContact OD1-N 3.24Å; L193-I195 PolarHBondContact O-N 2.84Å; L193-A196 PolarHBondContact O-N 3.49Å; L193-G197 PolarHBondContact O-N 3.39Å |
| 194 | H | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.6 | -70.2 | 168.5 | 0 | 0 | 0 | 110.9 | I188 W189 D190 T191 A196 L198 I224 | I188-H194 PolarHBondContact O-NE2 2.83Å; I188-H194 VanDerWaalsContact O-NE2 3.14Å; W189-H194 AromaticContact CD2-CE1 3.58Å; W189-H194 AromaticContact CE2-CE1 3.98Å; W189-H194 AromaticContact CE3-CE1 3.47Å; W189-H194 VanDerWaalsContact CE3-CE1 3.47Å; W189-H194 AromaticContact CE3-NE2 3.55Å; W189-H194 AromaticContact CZ3-CE1 3.78Å; W189-H194 AromaticContact CZ3-NE2 3.86Å; D190-H194 WeakPolarHBondContact O-CB 3.37Å; D190-H194 PolarHBondContact O-N 3.06Å; T191-H194 PolarHBondContact O-N 3.2Å; H194-A196 PolarHBondContact O-N 3.16Å; H194-L198 VanDerWaalsContact O-CB 3.23Å; H194-L198 WeakPolarHBondContact O-CB 3.45Å; H194-L198 WeakPolarHBondContact O-CD1 3.24Å; H194-L198 WeakPolarHBondContact O-CG 3.46Å; H194-L198 PolarHBondContact O-N 3.47Å; H194-I224 HydrophobicContact CB-CD1 4.38Å |
| 195 | I | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 179.1 | -71.3 | 163.3 | 0 | 0 | 0 | 111 | T191 E192 L193 R199 L231 A232 | T191-I195 HydrophobicContact CG2-CD1 3.85Å; T191-I195 WeakPolarHBondContact O-CB 3.43Å; T191-I195 WeakPolarHBondContact O-CD1 3.23Å; T191-I195 WeakPolarHBondContact O-CG1 3.2Å; T191-I195 PolarHBondContact O-N 2.88Å; E192-I195 PolarHBondContact O-N 2.92Å; L193-I195 PolarHBondContact O-N 2.84Å; I195-R199 VanDerWaalsContact CG2-CZ 3.43Å; I195-R199 WeakPolarHBondContact O-CB 3.1Å; I195-R199 WeakPolarHBondContact O-CD 3.44Å; I195-R199 WeakPolarHBondContact O-CG 3.25Å; I195-R199 PolarHBondContact O-N 2.87Å; I195-L231 HydrophobicContact CD1-CB 4.01Å; I195-L231 HydrophobicContact CD1-CD2 3.87Å; I195-L231 HydrophobicContact CD1-CG 3.83Å; I195-L231 HydrophobicContact CG1-CB 4.47Å; I195-L231 HydrophobicContact CG1-CD2 4.48Å; I195-L231 HydrophobicContact CG1-CG 4.06Å; I195-L231 HydrophobicContact CG2-CD2 4.08Å; I195-L231 HydrophobicContact CG2-CG 4.07Å; I195-A232 HydrophobicContact CD1-CB 4.43Å; I195-A232 HydrophobicContact CG1-CB 3.85Å |
| 196 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -46.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T155 L158 N159 E192 L193 H194 R199 L200 | T155-A196 HydrophobicContact CG2-CB 4.14Å; L158-A196 HydrophobicContact CB-CB 3.7Å; L158-A196 HydrophobicContact CD1-CB 4.28Å; N159-A196 WeakPolarHBondContact ND2-CB 3.22Å; E192-A196 VanDerWaalsContact O-CB 3.27Å; E192-A196 WeakPolarHBondContact O-CB 3.27Å; E192-A196 PolarHBondContact O-N 2.97Å; L193-A196 PolarHBondContact O-N 3.49Å; H194-A196 PolarHBondContact O-N 3.16Å; A196-R199 PolarHBondContact O-N 3.37Å; A196-L200 PolarHBondContact O-N 2.86Å |
| 197 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L193 L200 L201 | L193-G197 PolarHBondContact O-N 3.39Å; G197-L200 WeakPolarHBondContact O-CB 3.49Å; G197-L200 PolarHBondContact O-N 2.76Å; G197-L201 WeakPolarHBondContact O-CG 3.33Å; G197-L201 PolarHBondContact O-N 3.1Å |
| 198 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.3 | -34.6 | 176.8 | -64.6 | 167 | 0 | 0 | 0 | 112 | I185 H194 L200 L201 N202 L221 I224 Q235 A236 L239 | I185-L198 HydrophobicContact CD1-CD2 3.67Å; I185-L198 HydrophobicContact CD1-CG 4.31Å; H194-L198 VanDerWaalsContact O-CB 3.23Å; H194-L198 WeakPolarHBondContact O-CB 3.45Å; H194-L198 WeakPolarHBondContact O-CD1 3.24Å; H194-L198 WeakPolarHBondContact O-CG 3.46Å; H194-L198 PolarHBondContact O-N 3.47Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 3.35Å; L198-L201 HydrophobicContact CD2-CD1 4.5Å; L198-L201 PolarHBondContact O-N 2.84Å; L198-N202 VanDerWaalsContact O-CB 3.31Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 3.3Å; L198-N202 PolarHBondContact O-ND2 3.49Å; L198-L221 HydrophobicContact CD2-CD2 3.63Å; L198-I224 HydrophobicContact CD1-CD1 4.34Å; L198-I224 HydrophobicContact CD1-CG2 3.96Å; L198-Q235 HydrophobicContact CB-CB 3.35Å; L198-Q235 HydrophobicContact CB-CG 4.23Å; L198-Q235 HydrophobicContact CD1-CB 4.08Å; L198-Q235 HydrophobicContact CG-CB 4.34Å; L198-A236 HydrophobicContact CD1-CB 4.03Å; L198-L239 HydrophobicContact CD2-CD2 3.67Å |
| 199 | R | 98.4 | Very high | 96.3 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 30% | 0.302 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 169.4 | -83.8 | 169.7 | 173.5 | 167.1 | -2.4 | 111.9 | K162 I195 A196 N203 Q235 | K162-R199 HydrophobicContact CG-CB 4.33Å; I195-R199 VanDerWaalsContact CG2-CZ 3.43Å; I195-R199 WeakPolarHBondContact O-CB 3.1Å; I195-R199 WeakPolarHBondContact O-CD 3.44Å; I195-R199 WeakPolarHBondContact O-CG 3.25Å; I195-R199 PolarHBondContact O-N 2.87Å; A196-R199 PolarHBondContact O-N 3.37Å; R199-N203 PolarHBondContact O-ND2 3.02Å; R199-Q235 HydrophobicContact CG-CG 4.03Å |
| 200 | L | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -53.1 | 176 | 174.6 | 54.6 | 0 | 0 | 0 | 110.9 | L158 L161 K162 I174 V181 A196 G197 L198 N202 N203 L204 | L158-L200 HydrophobicContact CD2-CD2 3.87Å; L161-L200 HydrophobicContact CB-CD1 4.35Å; L161-L200 HydrophobicContact CB-CD2 3.91Å; L161-L200 HydrophobicContact CD1-CD2 4.46Å; K162-L200 HydrophobicContact CB-CB 4.34Å; K162-L200 HydrophobicContact CB-CD1 4.34Å; I174-L200 HydrophobicContact CG2-CD1 3.78Å; V181-L200 HydrophobicContact CG2-CD2 3.84Å; A196-L200 PolarHBondContact O-N 2.86Å; G197-L200 WeakPolarHBondContact O-CB 3.49Å; G197-L200 PolarHBondContact O-N 2.76Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 3.35Å; L200-N202 VanDerWaalsContact C-N 3.34Å; L200-N202 PolarHBondContact O-N 3.3Å; L200-N203 PolarHBondContact O-N 3.37Å; L200-L204 HydrophobicContact CD1-CD1 3.82Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 4.13Å; L200-L204 HydrophobicContact CG-CD1 3.97Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.17Å |
| 201 | L | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.6 | -42.8 | -179.9 | -70 | 167.4 | 0 | 0 | 0 | 112.6 | V181 L182 I185 G197 L198 N203 L204 L206 L239 | V181-L201 HydrophobicContact CB-CD2 4.29Å; V181-L201 HydrophobicContact CB-CG 4.42Å; V181-L201 HydrophobicContact CG1-CD1 3.91Å; V181-L201 HydrophobicContact CG1-CD2 4.22Å; V181-L201 HydrophobicContact CG1-CG 3.81Å; L182-L201 HydrophobicContact CD2-CD1 3.58Å; L182-L201 HydrophobicContact CD2-CD2 4.23Å; L182-L201 HydrophobicContact CG-CD1 4.25Å; L182-L201 HydrophobicContact CG-CD2 4.27Å; I185-L201 HydrophobicContact CD1-CD1 3.72Å; G197-L201 WeakPolarHBondContact O-CG 3.33Å; G197-L201 PolarHBondContact O-N 3.1Å; L198-L201 HydrophobicContact CD2-CD1 4.5Å; L198-L201 PolarHBondContact O-N 2.84Å; L201-N203 PolarHBondContact O-N 3.32Å; L201-N203 VanDerWaalsContact O-N 3.07Å; L201-L204 PolarHBondContact O-N 3.46Å; L201-L204 VanDerWaalsContact O-N 3.08Å; L201-L206 HydrophobicContact CD2-CD2 3.9Å; L201-L239 HydrophobicContact CB-CD2 4.28Å; L201-L239 HydrophobicContact CD1-CD2 4Å |
| 202 | N | 97.6 | Very high | 96 | Very high | 47 Ų | 47 | 35.9 Ų | 35.9 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -9.8 | 175.9 | -77.8 | -44 | 0 | 0 | 0 | 114.5 | L198 L200 Q235 L239 | L198-N202 VanDerWaalsContact O-CB 3.31Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 3.3Å; L198-N202 PolarHBondContact O-ND2 3.49Å; L200-N202 VanDerWaalsContact C-N 3.34Å; L200-N202 PolarHBondContact O-N 3.3Å; N202-Q235 PolarHBondContact ND2-O 3.33Å; N202-L239 VanDerWaalsContact OD1-CA 3.32Å; N202-L239 WeakPolarHBondContact OD1-CA 3.32Å; N202-L239 PolarHBondContact OD1-N 2.88Å; N202-L239 VanDerWaalsContact OD1-N 3.13Å |
| 203 | N | 95 | Very high | 96 | Very high | 79 Ų | 79 | 32.7 Ų | 32.7 | 42% | 0.422 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 5.2 | 175.7 | -75.8 | -88.3 | 0 | 0 | 0 | 113.4 | R199 L200 L201 | R199-N203 PolarHBondContact O-ND2 3.02Å; L200-N203 PolarHBondContact O-N 3.37Å; L201-N203 PolarHBondContact O-N 3.32Å; L201-N203 VanDerWaalsContact O-N 3.07Å |
| 204 | L | 94.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -114.2 | 140.6 | -180 | -65 | 172.8 | 0 | 0 | 0 | 111 | R171 I174 Q175 L200 L201 L206 | R171-L204 HydrophobicContact CG-CD2 3.97Å; I174-L204 HydrophobicContact CB-CD2 4.27Å; I174-L204 HydrophobicContact CG2-CD1 4.27Å; I174-L204 HydrophobicContact CG2-CD2 4.02Å; Q175-L204 HydrophobicContact CB-CD2 4.46Å; L200-L204 HydrophobicContact CD1-CD1 3.82Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 4.13Å; L200-L204 HydrophobicContact CG-CD1 3.97Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.17Å; L201-L204 PolarHBondContact O-N 3.46Å; L201-L204 VanDerWaalsContact O-N 3.08Å; L204-L206 HydrophobicContact CB-CD2 4.37Å; L204-L206 PolarHBondContact O-N 2.74Å |
| 205 | P | 90.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 41% | 0.409 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 116.8 | 165.2 | 29.7 | -29.8 | 0 | 0 | 0 | 108.5 | Q175 P207 | Q175-P205 VanDerWaalsContact CD-O 3.27Å; Q175-P205 PolarHBondContact NE2-O 2.77Å; P205-P207 WeakPolarHBondContact O-CD 3.44Å |
| 206 | L | 93 | Very high | 95.7 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 116.6 | 178.1 | -58.6 | -178.5 | 0 | 0 | 0 | 109.9 | L201 L204 L214 L239 Y242 L243 K246 | L201-L206 HydrophobicContact CD2-CD2 3.9Å; L204-L206 HydrophobicContact CB-CD2 4.37Å; L204-L206 PolarHBondContact O-N 2.74Å; L206-L214 HydrophobicContact CD1-CD1 4.34Å; L206-L214 HydrophobicContact CD1-CD2 4.32Å; L206-L239 HydrophobicContact CD1-CD1 3.78Å; L206-Y242 HydrophobicContact CB-CE1 4.18Å; L206-Y242 HydrophobicContact CD1-CE1 4.41Å; L206-Y242 HydrophobicContact CG-CE1 4.43Å; L206-L243 HydrophobicContact CD1-CD2 4.42Å; L206-K246 PolarHBondContact O-NZ 2.98Å |
| 207 | P | 91.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -83.8 | 158.1 | -176.6 | 36.5 | -36.1 | 0 | 0 | 0 | 110.9 | P205 Y209 V210 | P205-P207 WeakPolarHBondContact O-CD 3.44Å; P207-Y209 HydrophobicContact CB-CD1 3.84Å; P207-Y209 HydrophobicContact CB-CE1 3.73Å; P207-Y209 HydrophobicContact CG-CD1 3.61Å; P207-Y209 HydrophobicContact CG-CE1 3.17Å; P207-Y209 HydrophobicContact CG-CE2 4.2Å; P207-Y209 HydrophobicContact CG-CG 4.29Å; P207-Y209 VanDerWaalsContact CG-CZ 3.48Å; P207-Y209 PolarHBondContact O-N 2.94Å; P207-Y209 VanDerWaalsContact O-N 3.1Å; P207-V210 HydrophobicContact CG-CG2 3.87Å; P207-V210 WeakPolarHBondContact O-CB 3.38Å; P207-V210 PolarHBondContact O-N 3.34Å |
| 208 | D | 92.3 | Very high | 95.6 | Very high | 102 Ų | 102 | 45.9 Ų | 45.9 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -68.6 | -18.8 | -167.5 | -45.8 | -55.8 | 0 | 0 | 0 | 113.5 | V210 H211 K246 | D208-V210 PolarHBondContact O-N 3.08Å; D208-H211 VanDerWaalsContact O-CB 3.26Å; D208-H211 WeakPolarHBondContact O-CB 3.46Å; D208-H211 PolarHBondContact O-N 3.43Å; D208-H211 VanDerWaalsContact O-N 3.09Å; D208-H211 IonicContact OD1-CE1 2.7Å; D208-H211 PolarHBondContact OD1-CE1 3.12Å; D208-H211 IonicContact OD1-ND1 2.95Å; D208-H211 IonicContact OD1-NE2 3.73Å; D208-H211 PolarHBondContact OD1-NE2 3.17Å; D208-K246 IonicContact OD1-NZ 2.71Å; D208-K246 PolarHBondContact OD1-NZ 3.4Å |
| 209 | Y | 92.4 | Very high | 95.5 | Very high | 136 Ų | 136 | 49.4 Ų | 49.4 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -64.7 | -16.7 | 171 | 74.9 | -106.8 | 0 | 0 | 0 | 113.7 | I179 P207 P212 | I179-Y209 HydrophobicContact CD1-CD2 4.41Å; I179-Y209 HydrophobicContact CD1-CE2 4.19Å; P207-Y209 HydrophobicContact CB-CD1 3.84Å; P207-Y209 HydrophobicContact CB-CE1 3.73Å; P207-Y209 HydrophobicContact CG-CD1 3.61Å; P207-Y209 HydrophobicContact CG-CE1 3.17Å; P207-Y209 HydrophobicContact CG-CE2 4.2Å; P207-Y209 HydrophobicContact CG-CG 4.29Å; P207-Y209 VanDerWaalsContact CG-CZ 3.48Å; P207-Y209 PolarHBondContact O-N 2.94Å; P207-Y209 VanDerWaalsContact O-N 3.1Å; Y209-P212 WeakPolarHBondContact O-CD 3.31Å |
| 210 | V | 94.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -88 | -14.2 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | I179 L182 P207 D208 P212 Q213 L214 | I179-V210 HydrophobicContact CG1-CG1 4.38Å; I179-V210 HydrophobicContact CG1-CG2 4.17Å; L182-V210 HydrophobicContact CD1-CG1 3.32Å; P207-V210 HydrophobicContact CG-CG2 3.87Å; P207-V210 WeakPolarHBondContact O-CB 3.38Å; P207-V210 PolarHBondContact O-N 3.34Å; D208-V210 PolarHBondContact O-N 3.08Å; V210-P212 VanDerWaalsContact C-CD 3.43Å; V210-P212 VanDerWaalsContact C-N 3.35Å; V210-Q213 PolarHBondContact O-N 3.06Å; V210-L214 HydrophobicContact CB-CD1 4.34Å; V210-L214 HydrophobicContact CG1-CD1 3.95Å; V210-L214 HydrophobicContact CG1-CG 4.07Å; V210-L214 PolarHBondContact O-N 3.28Å |
| 211 | H | 94.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.3 | -38.6 | 179.2 | -67.9 | 177.1 | 0 | 0 | 0 | 114.4 | D208 Q213 L214 R215 K246 L249 | D208-H211 VanDerWaalsContact O-CB 3.26Å; D208-H211 WeakPolarHBondContact O-CB 3.46Å; D208-H211 PolarHBondContact O-N 3.43Å; D208-H211 VanDerWaalsContact O-N 3.09Å; D208-H211 IonicContact OD1-CE1 2.7Å; D208-H211 PolarHBondContact OD1-CE1 3.12Å; D208-H211 IonicContact OD1-ND1 2.95Å; D208-H211 IonicContact OD1-NE2 3.73Å; D208-H211 PolarHBondContact OD1-NE2 3.17Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 3.07Å; H211-L214 PolarHBondContact O-N 3.37Å; H211-R215 PolarHBondContact O-N 2.76Å; H211-K246 PolarHBondContact CE1-NZ 3.39Å; H211-K246 PolarHBondContact NE2-NZ 2.99Å; H211-L249 HydrophobicContact CB-CD2 4.21Å |
| 212 | P | 95.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 175 | -23.7 | 35.6 | 0 | 0 | 0 | 114 | Y209 V210 | Y209-P212 WeakPolarHBondContact O-CD 3.31Å; V210-P212 VanDerWaalsContact C-CD 3.43Å; V210-P212 VanDerWaalsContact C-N 3.35Å |
| 213 | Q | 96.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.7 | -37.8 | 174.9 | -173.7 | 63.9 | 8 | 0 | 0 | 111.2 | I179 L182 V210 H211 R215 R216 V217 | I179-Q213 HydrophobicContact CG2-CG 4.34Å; L182-Q213 HydrophobicContact CB-CG 4.09Å; L182-Q213 HydrophobicContact CD1-CB 4.46Å; L182-Q213 HydrophobicContact CD1-CG 4.17Å; V210-Q213 PolarHBondContact O-N 3.06Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 3.07Å; Q213-R215 VanDerWaalsContact C-N 3.31Å; Q213-R215 PolarHBondContact O-N 3.19Å; Q213-R216 WeakPolarHBondContact O-CB 3.35Å; Q213-R216 PolarHBondContact O-N 2.93Å; Q213-V217 PolarHBondContact O-N 3.21Å; Q213-V217 VanDerWaalsContact O-N 3.08Å |
| 214 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | 175.5 | -75.3 | 157.6 | 0 | 0 | 0 | 112.1 | L182 L206 V210 H211 R216 V217 M218 L243 L249 | L182-L214 HydrophobicContact CD1-CD2 3.86Å; L182-L214 HydrophobicContact CD1-CG 3.9Å; L182-L214 HydrophobicContact CD2-CD2 3.69Å; L182-L214 HydrophobicContact CG-CD2 4.47Å; L206-L214 HydrophobicContact CD1-CD1 4.34Å; L206-L214 HydrophobicContact CD1-CD2 4.32Å; V210-L214 HydrophobicContact CB-CD1 4.34Å; V210-L214 HydrophobicContact CG1-CD1 3.95Å; V210-L214 HydrophobicContact CG1-CG 4.07Å; V210-L214 PolarHBondContact O-N 3.28Å; H211-L214 PolarHBondContact O-N 3.37Å; L214-R216 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 3.38Å; L214-V217 PolarHBondContact O-N 2.75Å; L214-M218 PolarHBondContact O-N 2.91Å; L214-L243 HydrophobicContact CD1-CD2 3.83Å; L214-L243 HydrophobicContact CD2-CD1 3.84Å; L214-L243 HydrophobicContact CD2-CD2 4.03Å; L214-L243 HydrophobicContact CG-CD2 4.46Å; L214-L249 HydrophobicContact CB-CD1 4.48Å; L214-L249 HydrophobicContact CD1-CD1 4.42Å |
| 215 | R | 96.8 | Very high | 95.9 | Very high | 89 Ų | 89 | 42.9 Ų | 42.9 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 173.2 | -69.4 | -173.7 | -178.3 | 98.5 | 0.2 | 113.2 | H211 Q213 D248 L249 D252 | H211-R215 PolarHBondContact O-N 2.76Å; Q213-R215 VanDerWaalsContact C-N 3.31Å; Q213-R215 PolarHBondContact O-N 3.19Å; R215-D248 PolarHBondContact NH2-O 2.88Å; R215-L249 HydrophobicContact CG-CD2 3.67Å; R215-D252 WeakPolarHBondContact CD-OD1 3.32Å; R215-D252 WeakPolarHBondContact CD-OD2 3.4Å; R215-D252 HydrophobicContact CG-CB 4.31Å; R215-D252 IonicContact CZ-OD2 3.01Å; R215-D252 IonicContact NE-OD1 3.81Å; R215-D252 IonicContact NE-OD2 3.57Å; R215-D252 PolarHBondContact NE-OD2 3.03Å; R215-D252 IonicContact NH2-OD2 3.35Å |
| 216 | R | 96.8 | Very high | 96.1 | Very high | 194 Ų | 194 | 41.2 Ų | 41.2 | 73% | 0.732 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -67.1 | -36.4 | 178.8 | -70.2 | 170.8 | 171.9 | 179.3 | -4.3 | 112.8 | Q213 L214 | Q213-R216 WeakPolarHBondContact O-CB 3.35Å; Q213-R216 PolarHBondContact O-N 2.93Å; L214-R216 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 3.38Å |
| 217 | V | 97.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -94.2 | -4.9 | -178.6 | -50.2 | 0 | 0 | 0 | 0 | 113.7 | L182 Q213 L214 P219 A220 L221 | L182-V217 HydrophobicContact CB-CG1 4.42Å; L182-V217 HydrophobicContact CB-CG2 4.27Å; L182-V217 HydrophobicContact CD2-CG2 3.92Å; Q213-V217 PolarHBondContact O-N 3.21Å; Q213-V217 VanDerWaalsContact O-N 3.08Å; L214-V217 PolarHBondContact O-N 2.75Å; V217-P219 VanDerWaalsContact C-CD 3.45Å; V217-P219 VanDerWaalsContact C-N 3.33Å; V217-A220 WeakPolarHBondContact O-CB 3.28Å; V217-A220 PolarHBondContact O-N 2.82Å; V217-L221 HydrophobicContact CG2-CD1 4.36Å; V217-L221 HydrophobicContact CG2-CG 4.46Å; V217-L221 PolarHBondContact O-N 2.9Å |
| 218 | M | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.7 | -41 | 179.4 | -146.6 | 77 | 77.3 | 0 | 0 | 113.7 | L214 L221 M222 L240 L243 L249 D252 I253 C256 | L214-M218 PolarHBondContact O-N 2.91Å; M218-L221 PolarHBondContact O-N 3.13Å; M218-L221 HydrophobicContact SD-CD1 4.31Å; M218-M222 PolarHBondContact O-N 3.5Å; M218-L240 HydrophobicContact CG-CD2 4.39Å; M218-L240 HydrophobicContact SD-CD2 3.85Å; M218-L243 HydrophobicContact SD-CD1 4.05Å; M218-L249 HydrophobicContact CE-CB 4.27Å; M218-L249 HydrophobicContact CE-CD2 4.14Å; M218-D252 HydrophobicContact CE-CB 4.25Å; M218-I253 HydrophobicContact CE-CD1 4.4Å; M218-I253 HydrophobicContact CE-CG1 3.77Å; M218-I253 HydrophobicContact CG-CG1 4.06Å; M218-I253 HydrophobicContact SD-CD1 4.39Å; M218-I253 HydrophobicContact SD-CG1 3.6Å; M218-I253 VanDerWaalsContact SD-CG1 3.6Å; M218-C256 WeakPolarHBondContact CG-SG 3.5Å |
| 219 | P | 97.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 50 Ų | 50 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 174 | -22.9 | 35.2 | 0 | 0 | 0 | 112.6 | V217 L221 M222 E223 | V217-P219 VanDerWaalsContact C-CD 3.45Å; V217-P219 VanDerWaalsContact C-N 3.33Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.39Å; P219-M222 WeakPolarHBondContact O-CB 3.44Å; P219-M222 PolarHBondContact O-N 3.27Å; P219-M222 VanDerWaalsContact O-N 3.08Å; P219-E223 PolarHBondContact O-N 2.93Å |
| 220 | A | 98.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W189 V217 M222 E223 I224 | W189-A220 HydrophobicContact CZ3-CB 4.33Å; V217-A220 WeakPolarHBondContact O-CB 3.28Å; V217-A220 PolarHBondContact O-N 2.82Å; A220-M222 VanDerWaalsContact C-N 3.3Å; A220-M222 PolarHBondContact O-N 2.6Å; A220-E223 PolarHBondContact O-N 3.49Å; A220-I224 VanDerWaalsContact O-CG1 3.28Å; A220-I224 WeakPolarHBondContact O-CG1 3.45Å; A220-I224 PolarHBondContact O-N 3.17Å |
| 221 | L | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 172 | -65.6 | 178.5 | 0 | 0 | 0 | 112.3 | I185 L198 V217 M218 P219 L225 L239 L240 L243 | I185-L221 HydrophobicContact CD1-CD2 3.7Å; L198-L221 HydrophobicContact CD2-CD2 3.63Å; V217-L221 HydrophobicContact CG2-CD1 4.36Å; V217-L221 HydrophobicContact CG2-CG 4.46Å; V217-L221 PolarHBondContact O-N 2.9Å; M218-L221 PolarHBondContact O-N 3.13Å; M218-L221 HydrophobicContact SD-CD1 4.31Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.39Å; L221-L225 PolarHBondContact O-N 2.91Å; L221-L225 VanDerWaalsContact O-N 3.15Å; L221-L239 HydrophobicContact CD1-CD2 4.02Å; L221-L239 HydrophobicContact CD1-CG 4.48Å; L221-L239 HydrophobicContact CD2-CD2 3.95Å; L221-L240 HydrophobicContact CB-CD1 4.36Å; L221-L240 HydrophobicContact CB-CD2 4.02Å; L221-L240 HydrophobicContact CB-CG 4.28Å; L221-L240 HydrophobicContact CD1-CD2 4.21Å; L221-L243 HydrophobicContact CD1-CD1 4.18Å |
| 222 | M | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.3 | -39.4 | 176 | -161.9 | 57.2 | 60.1 | 0 | 0 | 111.8 | M218 P219 A220 L225 Q226 L240 C256 V258 F262 F281 L306 | M218-M222 PolarHBondContact O-N 3.5Å; P219-M222 WeakPolarHBondContact O-CB 3.44Å; P219-M222 PolarHBondContact O-N 3.27Å; P219-M222 VanDerWaalsContact O-N 3.08Å; A220-M222 VanDerWaalsContact C-N 3.3Å; A220-M222 PolarHBondContact O-N 2.6Å; M222-L225 WeakPolarHBondContact O-CB 3.32Å; M222-L225 PolarHBondContact O-N 2.83Å; M222-L225 HydrophobicContact SD-CD2 4.11Å; M222-Q226 VanDerWaalsContact O-CG 3.26Å; M222-Q226 WeakPolarHBondContact O-CG 3.29Å; M222-Q226 PolarHBondContact O-N 3.35Å; M222-Q226 VanDerWaalsContact O-N 3.08Å; M222-Q226 PolarHBondContact O-NE2 3.38Å; M222-Q226 VanDerWaalsContact O-NE2 3.14Å; M222-L240 HydrophobicContact CE-CD1 3.92Å; M222-L240 HydrophobicContact CE-CD2 4.47Å; M222-C256 HydrophobicContact CB-CB 4.31Å; M222-C256 HydrophobicContact CE-CB 4Å; M222-C256 HydrophobicContact CG-CB 4.18Å; M222-V258 HydrophobicContact CG-CG1 3.78Å; M222-V258 HydrophobicContact SD-CG1 3.88Å; M222-F262 HydrophobicContact SD-CE2 3.95Å; M222-F281 HydrophobicContact CE-CZ 4.38Å; M222-L306 HydrophobicContact CE-CD2 3.82Å; M222-L306 HydrophobicContact SD-CD1 4.43Å |
| 223 | E | 97.9 | Very high | 97.2 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 173.6 | -71 | -51.7 | 115.1 | 0 | 0 | 112.6 | W189 P219 A220 L225 Q226 S227 H259 | W189-E223 HydrophobicContact CH2-CB 3.71Å; W189-E223 HydrophobicContact CZ2-CB 3.84Å; P219-E223 PolarHBondContact O-N 2.93Å; A220-E223 PolarHBondContact O-N 3.49Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 2.94Å; E223-Q226 CarbonylContact O-C 3.56Å; E223-Q226 PolarHBondContact O-N 3.11Å; E223-Q226 VanDerWaalsContact O-N 3.08Å; E223-Q226 PolarHBondContact OE1-NE2 3.42Å; E223-S227 PolarHBondContact O-N 3.44Å; E223-S227 VanDerWaalsContact O-N 3.08Å; E223-H259 IonicContact OE1-CE1 3.23Å; E223-H259 IonicContact OE2-CE1 3.88Å; E223-H259 PolarHBondContact OE2-CE1 3.36Å; E223-H259 VanDerWaalsContact OE2-CE1 3.23Å; E223-H259 IonicContact OE2-NE2 2.67Å |
| 224 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 174 | -64.1 | 165.7 | 0 | 0 | 0 | 111.1 | W189 H194 L198 A220 Q226 S227 A232 A236 | W189-I224 HydrophobicContact CH2-CD1 4.43Å; W189-I224 HydrophobicContact CH2-CG1 3.67Å; W189-I224 HydrophobicContact CZ2-CG1 4.2Å; W189-I224 HydrophobicContact CZ3-CD1 4.46Å; W189-I224 HydrophobicContact CZ3-CG1 4.15Å; H194-I224 HydrophobicContact CB-CD1 4.38Å; L198-I224 HydrophobicContact CD1-CD1 4.34Å; L198-I224 HydrophobicContact CD1-CG2 3.96Å; A220-I224 VanDerWaalsContact O-CG1 3.28Å; A220-I224 WeakPolarHBondContact O-CG1 3.45Å; A220-I224 PolarHBondContact O-N 3.17Å; I224-Q226 PolarHBondContact O-N 3.09Å; I224-S227 PolarHBondContact O-N 3.29Å; I224-S227 PolarHBondContact O-OG 3.37Å; I224-A232 HydrophobicContact CG2-CB 3.92Å; I224-A236 HydrophobicContact CB-CB 4.23Å; I224-A236 HydrophobicContact CG2-CB 3.92Å |
| 225 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.8 | -26.9 | 173.9 | 178 | 53.5 | 0 | 0 | 0 | 112.8 | L221 M222 E223 Q233 A236 V237 L240 F262 L265 F281 | L221-L225 PolarHBondContact O-N 2.91Å; L221-L225 VanDerWaalsContact O-N 3.15Å; M222-L225 WeakPolarHBondContact O-CB 3.32Å; M222-L225 PolarHBondContact O-N 2.83Å; M222-L225 HydrophobicContact SD-CD2 4.11Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 2.94Å; L225-Q233 HydrophobicContact CD1-CB 4.16Å; L225-Q233 WeakPolarHBondContact O-CG 3.43Å; L225-Q233 PolarHBondContact O-NE2 3.28Å; L225-A236 HydrophobicContact CB-CB 4.24Å; L225-V237 HydrophobicContact CD1-CB 3.74Å; L225-V237 HydrophobicContact CD1-CG2 4.28Å; L225-V237 HydrophobicContact CD2-CB 4.28Å; L225-V237 HydrophobicContact CD2-CG2 4.29Å; L225-L240 HydrophobicContact CB-CD1 4.47Å; L225-L240 HydrophobicContact CD2-CD1 3.86Å; L225-F262 HydrophobicContact CD2-CE2 4.33Å; L225-F262 HydrophobicContact CD2-CZ 4.47Å; L225-L265 HydrophobicContact CD1-CD1 4.1Å; L225-L265 HydrophobicContact CG-CD1 4Å; L225-F281 HydrophobicContact CD2-CD1 4.36Å; L225-F281 HydrophobicContact CD2-CE1 4.08Å |
| 226 | Q | 96.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -94.9 | -2.4 | -179.6 | -65.8 | 175.1 | 108.7 | 0 | 0 | 114.2 | M222 E223 I224 V258 H259 F262 | M222-Q226 VanDerWaalsContact O-CG 3.26Å; M222-Q226 WeakPolarHBondContact O-CG 3.29Å; M222-Q226 PolarHBondContact O-N 3.35Å; M222-Q226 VanDerWaalsContact O-N 3.08Å; M222-Q226 PolarHBondContact O-NE2 3.38Å; M222-Q226 VanDerWaalsContact O-NE2 3.14Å; E223-Q226 CarbonylContact O-C 3.56Å; E223-Q226 PolarHBondContact O-N 3.11Å; E223-Q226 VanDerWaalsContact O-N 3.08Å; E223-Q226 PolarHBondContact OE1-NE2 3.42Å; I224-Q226 PolarHBondContact O-N 3.09Å; Q226-V258 VanDerWaalsContact OE1-CA 3.31Å; Q226-H259 PolarHBondContact OE1-ND1 3.11Å; Q226-F262 HydrophobicContact CG-CD2 3.87Å; Q226-F262 HydrophobicContact CG-CE2 4.22Å |
| 227 | S | 95.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 17% | 0.168 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -74.5 | 156 | 173.6 | 74 | 0 | 0 | 0 | 0 | 112.6 | E223 I224 Y229 Q233 | E223-S227 PolarHBondContact O-N 3.44Å; E223-S227 VanDerWaalsContact O-N 3.08Å; I224-S227 PolarHBondContact O-N 3.29Å; I224-S227 PolarHBondContact O-OG 3.37Å; S227-Y229 PolarHBondContact O-N 2.93Å; S227-Q233 WeakPolarHBondContact O-CG 3.48Å; S227-Q233 PolarHBondContact O-NE2 3.42Å; S227-Q233 PolarHBondContact O-OE1 3.19Å |
| 228 | D | 93.5 | Very high | 97.7 | Very high | 156 Ų | 156 | 37 Ų | 37 | 83% | 0.834 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -71.7 | 4.2 | 179.3 | -58.9 | -64.8 | 0 | 0 | 0 | 114.7 | I230 | D228-I230 PolarHBondContact O-N 3.22Š|
| 229 | Y | 96.4 | Very high | 97.7 | Very high | 138 Ų | 138 | 36.9 Ų | 36.9 | 54% | 0.541 | 18% | 0.184 | S | C | . | . | trans | -92.9 | 81.1 | -174.7 | -64.2 | -72.7 | 0 | 0 | 0 | 112.2 | T191 S227 L231 A232 Q233 | T191-Y229 HydrophobicContact CG2-CD1 3.62Å; T191-Y229 HydrophobicContact CG2-CD2 4.06Å; T191-Y229 HydrophobicContact CG2-CE1 4.16Å; T191-Y229 HydrophobicContact CG2-CG 3.56Å; T191-Y229 WeakPolarHBondContact OG1-CE2 2.99Å; S227-Y229 PolarHBondContact O-N 2.93Å; Y229-L231 PolarHBondContact O-N 3.26Å; Y229-A232 WeakPolarHBondContact O-CA 3.48Å; Y229-A232 WeakPolarHBondContact O-CB 3.45Å; Y229-A232 PolarHBondContact O-N 3.1Å; Y229-Q233 PolarHBondContact O-N 2.83Å | ||
| 230 | I | 97.3 | Very high | 97.8 | Very high | 58 Ų | 58 | 33.4 Ų | 33.4 | 30% | 0.297 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -31.6 | -50.8 | 179.4 | -55.1 | -62.4 | 0 | 0 | 0 | 114.3 | D228 Q233 V234 P271 L274 | D228-I230 PolarHBondContact O-N 3.22Å; I230-Q233 VanDerWaalsContact CA-OE1 3.25Å; I230-Q233 PolarHBondContact O-N 2.84Å; I230-V234 VanDerWaalsContact O-CG2 3.29Å; I230-V234 WeakPolarHBondContact O-CG2 3.3Å; I230-V234 PolarHBondContact O-N 2.89Å; I230-P271 HydrophobicContact CD1-CG 3.98Å; I230-P271 HydrophobicContact CG1-CG 4.26Å; I230-P271 HydrophobicContact CG2-CB 4.48Å; I230-P271 HydrophobicContact CG2-CG 4.08Å; I230-L274 HydrophobicContact CD1-CD2 3.84Å; I230-L274 HydrophobicContact CG2-CB 4.4Å |
| 231 | L | 97.7 | Very high | 97.8 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 39% | 0.393 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.5 | -35.9 | -176.1 | -179.9 | 56 | 0 | 0 | 0 | 113.2 | I195 Y229 Q235 | I195-L231 HydrophobicContact CD1-CB 4.01Å; I195-L231 HydrophobicContact CD1-CD2 3.87Å; I195-L231 HydrophobicContact CD1-CG 3.83Å; I195-L231 HydrophobicContact CG1-CB 4.47Å; I195-L231 HydrophobicContact CG1-CD2 4.48Å; I195-L231 HydrophobicContact CG1-CG 4.06Å; I195-L231 HydrophobicContact CG2-CD2 4.08Å; I195-L231 HydrophobicContact CG2-CG 4.07Å; Y229-L231 PolarHBondContact O-N 3.26Å; L231-Q235 WeakPolarHBondContact O-CG 3.27Å; L231-Q235 PolarHBondContact O-N 3.5Å; L231-Q235 PolarHBondContact O-NE2 2.95Å |
| 232 | A | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.2 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I195 I224 Y229 V234 Q235 A236 | I195-A232 HydrophobicContact CD1-CB 4.43Å; I195-A232 HydrophobicContact CG1-CB 3.85Å; I224-A232 HydrophobicContact CG2-CB 3.92Å; Y229-A232 WeakPolarHBondContact O-CA 3.48Å; Y229-A232 WeakPolarHBondContact O-CB 3.45Å; Y229-A232 PolarHBondContact O-N 3.1Å; A232-V234 VanDerWaalsContact C-N 3.34Å; A232-V234 PolarHBondContact O-N 3.3Å; A232-Q235 PolarHBondContact O-N 2.96Å; A232-A236 PolarHBondContact O-N 2.9Å |
| 233 | Q | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.6 | -48 | 174.6 | -60.2 | 178.3 | -77.4 | 0 | 0 | 111.5 | L225 S227 Y229 I230 Q235 A236 V237 L274 | L225-Q233 HydrophobicContact CD1-CB 4.16Å; L225-Q233 WeakPolarHBondContact O-CG 3.43Å; L225-Q233 PolarHBondContact O-NE2 3.28Å; S227-Q233 WeakPolarHBondContact O-CG 3.48Å; S227-Q233 PolarHBondContact O-NE2 3.42Å; S227-Q233 PolarHBondContact O-OE1 3.19Å; Y229-Q233 PolarHBondContact O-N 2.83Å; I230-Q233 VanDerWaalsContact CA-OE1 3.25Å; I230-Q233 PolarHBondContact O-N 2.84Å; Q233-Q235 VanDerWaalsContact C-N 3.28Å; Q233-Q235 PolarHBondContact O-N 3.36Å; Q233-A236 PolarHBondContact O-N 3.36Å; Q233-A236 VanDerWaalsContact O-N 3.15Å; Q233-V237 VanDerWaalsContact O-CG1 3.32Å; Q233-V237 WeakPolarHBondContact O-CG1 3.36Å; Q233-V237 PolarHBondContact O-N 3.22Å; Q233-L274 HydrophobicContact CB-CD1 3.76Å |
| 234 | V | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.4 | -35.1 | 176.3 | 168 | 0 | 0 | 0 | 0 | 112.5 | I230 A232 R238 L274 E277 | I230-V234 VanDerWaalsContact O-CG2 3.29Å; I230-V234 WeakPolarHBondContact O-CG2 3.3Å; I230-V234 PolarHBondContact O-N 2.89Å; A232-V234 VanDerWaalsContact C-N 3.34Å; A232-V234 PolarHBondContact O-N 3.3Å; V234-R238 WeakPolarHBondContact O-CB 3.47Å; V234-R238 WeakPolarHBondContact O-CD 3.37Å; V234-R238 VanDerWaalsContact O-CG 3.25Å; V234-R238 WeakPolarHBondContact O-CG 3.43Å; V234-R238 PolarHBondContact O-N 2.97Å; V234-L274 HydrophobicContact CG2-CB 4.06Å; V234-L274 HydrophobicContact CG2-CD1 3.91Å; V234-E277 HydrophobicContact CG1-CG 4.43Å |
| 235 | Q | 98.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -78 | -37.1 | 175.4 | -52 | -41 | -68.3 | 0 | 0 | 112.5 | L198 R199 N202 L231 A232 Q233 L239 | L198-Q235 HydrophobicContact CB-CB 3.35Å; L198-Q235 HydrophobicContact CB-CG 4.23Å; L198-Q235 HydrophobicContact CD1-CB 4.08Å; L198-Q235 HydrophobicContact CG-CB 4.34Å; R199-Q235 HydrophobicContact CG-CG 4.03Å; N202-Q235 PolarHBondContact ND2-O 3.33Å; L231-Q235 WeakPolarHBondContact O-CG 3.27Å; L231-Q235 PolarHBondContact O-N 3.5Å; L231-Q235 PolarHBondContact O-NE2 2.95Å; A232-Q235 PolarHBondContact O-N 2.96Å; Q233-Q235 VanDerWaalsContact C-N 3.28Å; Q233-Q235 PolarHBondContact O-N 3.36Å; Q235-L239 PolarHBondContact O-N 2.94Å |
| 236 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -46.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L198 I224 L225 A232 Q233 R238 L239 L240 | L198-A236 HydrophobicContact CD1-CB 4.03Å; I224-A236 HydrophobicContact CB-CB 4.23Å; I224-A236 HydrophobicContact CG2-CB 3.92Å; L225-A236 HydrophobicContact CB-CB 4.24Å; A232-A236 PolarHBondContact O-N 2.9Å; Q233-A236 PolarHBondContact O-N 3.36Å; Q233-A236 VanDerWaalsContact O-N 3.15Å; A236-R238 VanDerWaalsContact C-N 3.33Å; A236-R238 PolarHBondContact O-N 2.77Å; A236-L239 PolarHBondContact O-N 3.19Å; A236-L240 WeakPolarHBondContact O-CB 3.17Å; A236-L240 WeakPolarHBondContact O-CG 3.32Å; A236-L240 PolarHBondContact O-N 2.95Å |
| 237 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -33.5 | 179.1 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | L225 Q233 S241 E277 V278 F281 | L225-V237 HydrophobicContact CD1-CB 3.74Å; L225-V237 HydrophobicContact CD1-CG2 4.28Å; L225-V237 HydrophobicContact CD2-CB 4.28Å; L225-V237 HydrophobicContact CD2-CG2 4.29Å; Q233-V237 VanDerWaalsContact O-CG1 3.32Å; Q233-V237 WeakPolarHBondContact O-CG1 3.36Å; Q233-V237 PolarHBondContact O-N 3.22Å; V237-S241 VanDerWaalsContact O-CB 3.23Å; V237-S241 WeakPolarHBondContact O-CB 3.29Å; V237-S241 PolarHBondContact O-N 3.21Å; V237-S241 PolarHBondContact O-OG 3.08Å; V237-E277 HydrophobicContact CG1-CB 3.58Å; V237-V278 HydrophobicContact CG2-CG2 4.1Å; V237-F281 HydrophobicContact CG2-CB 3.54Å; V237-F281 HydrophobicContact CG2-CD1 3.89Å; V237-F281 HydrophobicContact CG2-CG 3.85Å |
| 238 | R | 98.6 | Very high | 96.3 | Very high | 101 Ų | 101 | 47.2 Ų | 47.2 | 38% | 0.381 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 172.3 | -82 | 174.5 | 175 | 165.9 | 4.3 | 111.9 | V234 A236 S241 Y242 E277 | V234-R238 WeakPolarHBondContact O-CB 3.47Å; V234-R238 WeakPolarHBondContact O-CD 3.37Å; V234-R238 VanDerWaalsContact O-CG 3.25Å; V234-R238 WeakPolarHBondContact O-CG 3.43Å; V234-R238 PolarHBondContact O-N 2.97Å; A236-R238 VanDerWaalsContact C-N 3.33Å; A236-R238 PolarHBondContact O-N 2.77Å; R238-S241 PolarHBondContact O-N 3.15Å; R238-Y242 PolarHBondContact O-N 2.92Å; R238-E277 HydrophobicContact CG-CG 4.48Å; R238-E277 WeakPolarHBondContact CG-OE2 3.4Å; R238-E277 IonicContact CZ-OE1 3.67Å; R238-E277 IonicContact NE-OE1 2.6Å; R238-E277 PolarHBondContact NE-OE1 2.9Å; R238-E277 IonicContact NE-OE2 2.74Å; R238-E277 PolarHBondContact NE-OE2 3.15Å; R238-E277 IonicContact NH2-OE1 3.27Å; R238-E277 PolarHBondContact NH2-OE1 3.46Å |
| 239 | L | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -48.9 | 177.3 | 179.9 | 57.3 | 0 | 0 | 0 | 110.3 | L198 L201 N202 L206 L221 Q235 A236 S241 Y242 L243 | L198-L239 HydrophobicContact CD2-CD2 3.67Å; L201-L239 HydrophobicContact CB-CD2 4.28Å; L201-L239 HydrophobicContact CD1-CD2 4Å; N202-L239 VanDerWaalsContact OD1-CA 3.32Å; N202-L239 WeakPolarHBondContact OD1-CA 3.32Å; N202-L239 PolarHBondContact OD1-N 2.88Å; N202-L239 VanDerWaalsContact OD1-N 3.13Å; L206-L239 HydrophobicContact CD1-CD1 3.78Å; L221-L239 HydrophobicContact CD1-CD2 4.02Å; L221-L239 HydrophobicContact CD1-CG 4.48Å; L221-L239 HydrophobicContact CD2-CD2 3.95Å; Q235-L239 PolarHBondContact O-N 2.94Å; A236-L239 PolarHBondContact O-N 3.19Å; L239-S241 VanDerWaalsContact C-N 3.28Å; L239-S241 PolarHBondContact O-N 2.99Å; L239-Y242 WeakPolarHBondContact O-CB 3.39Å; L239-Y242 PolarHBondContact O-N 2.74Å; L239-Y242 VanDerWaalsContact O-N 3.1Å; L239-L243 HydrophobicContact CD1-CD1 4.17Å; L239-L243 HydrophobicContact CD1-CG 4.19Å; L239-L243 HydrophobicContact CG-CD1 3.97Å; L239-L243 HydrophobicContact CG-CG 4.42Å; L239-L243 VanDerWaalsContact O-CG 3.26Å; L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.46Å |
| 240 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -36 | 176.2 | -69.8 | 167 | 0 | 0 | 0 | 112.3 | M218 L221 M222 L225 A236 L243 A244 I253 F281 | M218-L240 HydrophobicContact CG-CD2 4.39Å; M218-L240 HydrophobicContact SD-CD2 3.85Å; L221-L240 HydrophobicContact CB-CD1 4.36Å; L221-L240 HydrophobicContact CB-CD2 4.02Å; L221-L240 HydrophobicContact CB-CG 4.28Å; L221-L240 HydrophobicContact CD1-CD2 4.21Å; M222-L240 HydrophobicContact CE-CD1 3.92Å; M222-L240 HydrophobicContact CE-CD2 4.47Å; L225-L240 HydrophobicContact CB-CD1 4.47Å; L225-L240 HydrophobicContact CD2-CD1 3.86Å; A236-L240 WeakPolarHBondContact O-CB 3.17Å; A236-L240 WeakPolarHBondContact O-CG 3.32Å; A236-L240 PolarHBondContact O-N 2.95Å; L240-L243 PolarHBondContact O-N 3.04Å; L240-A244 WeakPolarHBondContact O-CB 3.29Å; L240-A244 PolarHBondContact O-N 3.08Å; L240-I253 HydrophobicContact CD2-CG1 4.45Å; L240-F281 HydrophobicContact CB-CD2 4.24Å; L240-F281 HydrophobicContact CB-CE2 3.6Å; L240-F281 HydrophobicContact CB-CZ 3.75Å; L240-F281 HydrophobicContact CD1-CZ 4.32Å |
| 241 | S | 98 | Very high | 96.4 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.3 | -36.9 | 174.1 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | V237 R238 L239 Q245 F281 | V237-S241 VanDerWaalsContact O-CB 3.23Å; V237-S241 WeakPolarHBondContact O-CB 3.29Å; V237-S241 PolarHBondContact O-N 3.21Å; V237-S241 PolarHBondContact O-OG 3.08Å; R238-S241 PolarHBondContact O-N 3.15Å; L239-S241 VanDerWaalsContact C-N 3.28Å; L239-S241 PolarHBondContact O-N 2.99Å; S241-Q245 PolarHBondContact O-NE2 3.39Å; S241-F281 VanDerWaalsContact OG-CA 3.3Å; S241-F281 WeakPolarHBondContact OG-CA 3.18Å; S241-F281 VanDerWaalsContact OG-CB 3.3Å; S241-F281 WeakPolarHBondContact OG-CB 3.3Å |
| 242 | Y | 96.8 | Very high | 96.4 | Very high | 87 Ų | 87 | 32.3 Ų | 32.3 | 34% | 0.341 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66 | -44.7 | 170.9 | 170.3 | -99.5 | 0 | 0 | 0 | 111.3 | L206 R238 L239 A244 Q245 | L206-Y242 HydrophobicContact CB-CE1 4.18Å; L206-Y242 HydrophobicContact CD1-CE1 4.41Å; L206-Y242 HydrophobicContact CG-CE1 4.43Å; R238-Y242 PolarHBondContact O-N 2.92Å; L239-Y242 WeakPolarHBondContact O-CB 3.39Å; L239-Y242 PolarHBondContact O-N 2.74Å; L239-Y242 VanDerWaalsContact O-N 3.1Å; Y242-A244 PolarHBondContact O-N 3.19Å; Y242-Q245 PolarHBondContact O-N 2.8Å |
| 243 | L | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.7 | -32.1 | -179.9 | -61.1 | 171.4 | 0 | 0 | 0 | 112.7 | L206 L214 M218 L221 L239 L240 Q245 K246 L249 I253 | L206-L243 HydrophobicContact CD1-CD2 4.42Å; L214-L243 HydrophobicContact CD1-CD2 3.83Å; L214-L243 HydrophobicContact CD2-CD1 3.84Å; L214-L243 HydrophobicContact CD2-CD2 4.03Å; L214-L243 HydrophobicContact CG-CD2 4.46Å; M218-L243 HydrophobicContact SD-CD1 4.05Å; L221-L243 HydrophobicContact CD1-CD1 4.18Å; L239-L243 HydrophobicContact CD1-CD1 4.17Å; L239-L243 HydrophobicContact CD1-CG 4.19Å; L239-L243 HydrophobicContact CG-CD1 3.97Å; L239-L243 HydrophobicContact CG-CG 4.42Å; L239-L243 VanDerWaalsContact O-CG 3.26Å; L239-L243 WeakPolarHBondContact O-CG 3.49Å; L239-L243 PolarHBondContact O-N 3.46Å; L240-L243 PolarHBondContact O-N 3.04Å; L243-Q245 PolarHBondContact O-N 3.01Å; L243-Q245 VanDerWaalsContact O-N 3.16Å; L243-K246 WeakPolarHBondContact O-CB 3.21Å; L243-K246 PolarHBondContact O-N 2.94Å; L243-L249 HydrophobicContact CB-CD1 4.23Å; L243-L249 HydrophobicContact CD2-CD1 3.76Å; L243-L249 HydrophobicContact CG-CD1 4.49Å; L243-I253 HydrophobicContact CB-CD1 3.71Å |
| 244 | A | 96.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L240 Y242 L250 I253 F281 R284 L285 | L240-A244 WeakPolarHBondContact O-CB 3.29Å; L240-A244 PolarHBondContact O-N 3.08Å; Y242-A244 PolarHBondContact O-N 3.19Å; A244-L250 HydrophobicContact CB-CD1 4.38Å; A244-I253 HydrophobicContact CB-CD1 4.21Å; A244-F281 HydrophobicContact CB-CE2 4.4Å; A244-R284 HydrophobicContact CB-CB 4.24Å; A244-L285 HydrophobicContact CB-CD2 3.97Å |
| 245 | Q | 93.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 32.8 Ų | 32.8 | 49% | 0.486 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6.2 | 172.9 | -67.3 | 161.3 | 88.6 | 0 | 0 | 112.9 | S241 Y242 L243 R284 | S241-Q245 PolarHBondContact O-NE2 3.39Å; Y242-Q245 PolarHBondContact O-N 2.8Å; L243-Q245 PolarHBondContact O-N 3.01Å; L243-Q245 VanDerWaalsContact O-N 3.16Å; Q245-R284 HydrophobicContact CG-CG 4.3Å |
| 246 | K | 91.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 32.6 Ų | 32.6 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -91 | 105.7 | 167.7 | -63.1 | -65.1 | -165.4 | 90.4 | 0 | 108.1 | L206 D208 H211 L243 D248 L249 L250 | L206-K246 PolarHBondContact O-NZ 2.98Å; D208-K246 IonicContact OD1-NZ 2.71Å; D208-K246 PolarHBondContact OD1-NZ 3.4Å; H211-K246 PolarHBondContact CE1-NZ 3.39Å; H211-K246 PolarHBondContact NE2-NZ 2.99Å; L243-K246 WeakPolarHBondContact O-CB 3.21Å; L243-K246 PolarHBondContact O-N 2.94Å; K246-D248 PolarHBondContact O-N 3.38Å; K246-L249 HydrophobicContact CB-CB 4.39Å; K246-L249 HydrophobicContact CB-CD1 4.17Å; K246-L249 HydrophobicContact CB-CG 4.32Å; K246-L249 PolarHBondContact O-N 3.15Å; K246-L250 PolarHBondContact O-N 3.19Å |
| 247 | N | 87 | Confident | 96.3 | Very high | 81 Ų | 81 | 38.4 Ų | 38.4 | 43% | 0.433 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -46.2 | -42.7 | -177.7 | -56.9 | -23.2 | 0 | 0 | 0 | 112.9 | L249 L250 H293 | N247-L249 PolarHBondContact O-N 2.91Å; N247-L250 PolarHBondContact O-N 3.34Å; N247-H293 PolarHBondContact ND2-NE2 3.4Å; N247-H293 PolarHBondContact OD1-NE2 3.07Å |
| 248 | D | 91 | Very high | 96.3 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -62.6 | -21.6 | -178.5 | -52.3 | -6.5 | 0 | 0 | 0 | 114.4 | R215 K246 | R215-D248 PolarHBondContact NH2-O 2.88Å; K246-D248 PolarHBondContact O-N 3.38Å |
| 249 | L | 96.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -106.9 | -11.7 | -177.3 | -63.2 | 178.3 | 0 | 0 | 0 | 113 | H211 L214 R215 M218 L243 K246 N247 Y251 D252 I253 | H211-L249 HydrophobicContact CB-CD2 4.21Å; L214-L249 HydrophobicContact CB-CD1 4.48Å; L214-L249 HydrophobicContact CD1-CD1 4.42Å; R215-L249 HydrophobicContact CG-CD2 3.67Å; M218-L249 HydrophobicContact CE-CB 4.27Å; M218-L249 HydrophobicContact CE-CD2 4.14Å; L243-L249 HydrophobicContact CB-CD1 4.23Å; L243-L249 HydrophobicContact CD2-CD1 3.76Å; L243-L249 HydrophobicContact CG-CD1 4.49Å; K246-L249 HydrophobicContact CB-CB 4.39Å; K246-L249 HydrophobicContact CB-CD1 4.17Å; K246-L249 HydrophobicContact CB-CG 4.32Å; K246-L249 PolarHBondContact O-N 3.15Å; N247-L249 PolarHBondContact O-N 2.91Å; L249-Y251 VanDerWaalsContact C-N 3.33Å; L249-Y251 PolarHBondContact O-N 3.38Å; L249-D252 PolarHBondContact O-N 3.3Å; L249-D252 VanDerWaalsContact O-N 3.17Å; L249-I253 HydrophobicContact CB-CD1 4.29Å; L249-I253 WeakPolarHBondContact O-CD1 3.18Å; L249-I253 WeakPolarHBondContact O-CG1 3.34Å; L249-I253 PolarHBondContact O-N 3.04Å |
| 250 | L | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | -174.3 | 177.4 | 61.3 | 0 | 0 | 0 | 112.3 | A244 K246 N247 L254 L285 Y294 | A244-L250 HydrophobicContact CB-CD1 4.38Å; K246-L250 PolarHBondContact O-N 3.19Å; N247-L250 PolarHBondContact O-N 3.34Å; L250-L254 HydrophobicContact CD1-CD1 3.8Å; L250-L254 HydrophobicContact CD1-CG 4.13Å; L250-L254 HydrophobicContact CG-CD1 3.83Å; L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.27Å; L250-L254 VanDerWaalsContact O-CG 3.27Å; L250-L254 WeakPolarHBondContact O-CG 3.22Å; L250-L254 PolarHBondContact O-N 2.93Å; L250-L285 HydrophobicContact CD1-CD2 3.85Å; L250-Y294 HydrophobicContact CB-CE2 4.15Å; L250-Y294 HydrophobicContact CD2-CD1 4.46Å; L250-Y294 HydrophobicContact CD2-CD2 3.71Å; L250-Y294 HydrophobicContact CD2-CE2 3.79Å; L250-Y294 HydrophobicContact CD2-CG 4.07Å; L250-Y294 HydrophobicContact CG-CD2 4.33Å; L250-Y294 HydrophobicContact CG-CE2 3.91Å |
| 251 | Y | 96.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 175.1 | 172.6 | -104 | 0 | 0 | 0 | 112 | L249 I253 L254 N255 Y294 W299 H300 Y301 | L249-Y251 VanDerWaalsContact C-N 3.33Å; L249-Y251 PolarHBondContact O-N 3.38Å; Y251-I253 VanDerWaalsContact C-N 3.33Å; Y251-I253 PolarHBondContact O-N 3.39Å; Y251-L254 PolarHBondContact O-N 3.01Å; Y251-N255 HydrophobicContact CE2-CB 4.3Å; Y251-N255 VanDerWaalsContact O-CB 3.28Å; Y251-N255 WeakPolarHBondContact O-CB 3.34Å; Y251-N255 PolarHBondContact O-N 3.15Å; Y251-N255 PolarHBondContact OH-ND2 3.39Å; Y251-Y294 WeakPolarHBondContact CA-OH 3.37Å; Y251-W299 HydrophobicContact CD1-CE3 4.26Å; Y251-W299 HydrophobicContact CD1-CZ3 4.15Å; Y251-W299 HydrophobicContact CD2-CB 4.22Å; Y251-W299 AromaticContact CD2-CD2 3.84Å; Y251-W299 HydrophobicContact CD2-CD2 3.84Å; Y251-W299 AromaticContact CD2-CE3 3.25Å; Y251-W299 HydrophobicContact CD2-CE3 3.25Å; Y251-W299 HydrophobicContact CD2-CG 4.25Å; Y251-W299 AromaticContact CD2-CZ3 3.91Å; Y251-W299 HydrophobicContact CD2-CZ3 3.91Å; Y251-W299 HydrophobicContact CE2-CB 4.27Å; Y251-W299 HydrophobicContact CE2-CD2 4.48Å; Y251-W299 AromaticContact CE2-CE3 3.77Å; Y251-W299 HydrophobicContact CE2-CE3 3.77Å; Y251-W299 HydrophobicContact CG-CD2 4.35Å; Y251-W299 AromaticContact CG-CE3 3.53Å; Y251-W299 HydrophobicContact CG-CE3 3.53Å; Y251-W299 AromaticContact CG-CZ3 3.66Å; Y251-W299 HydrophobicContact CG-CZ3 3.66Å; Y251-H300 WeakPolarHBondContact CE2-O 3.48Å; Y251-H300 PolarHBondContact OH-O 2.85Å; Y251-H300 VanDerWaalsContact OH-O 3.08Å; Y251-Y301 HydrophobicContact CD2-CD1 4.18Å; Y251-Y301 AromaticContact CD2-CE1 3.68Å; Y251-Y301 HydrophobicContact CD2-CE1 3.68Å; Y251-Y301 AromaticContact CE2-CD1 3.96Å; Y251-Y301 HydrophobicContact CE2-CD1 3.96Å; Y251-Y301 AromaticContact CE2-CE1 3.91Å; Y251-Y301 HydrophobicContact CE2-CE1 3.91Å |
| 252 | D | 97.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 178.5 | -58.8 | -73.8 | 0 | 0 | 0 | 111.2 | R215 M218 L249 N255 C256 | R215-D252 WeakPolarHBondContact CD-OD1 3.32Å; R215-D252 WeakPolarHBondContact CD-OD2 3.4Å; R215-D252 HydrophobicContact CG-CB 4.31Å; R215-D252 IonicContact CZ-OD2 3.01Å; R215-D252 IonicContact NE-OD1 3.81Å; R215-D252 IonicContact NE-OD2 3.57Å; R215-D252 PolarHBondContact NE-OD2 3.03Å; R215-D252 IonicContact NH2-OD2 3.35Å; M218-D252 HydrophobicContact CE-CB 4.25Å; L249-D252 PolarHBondContact O-N 3.3Å; L249-D252 VanDerWaalsContact O-N 3.17Å; D252-N255 PolarHBondContact O-N 3.46Å; D252-C256 PolarHBondContact O-N 2.93Å; D252-C256 VanDerWaalsContact O-N 3.15Å; D252-C256 PolarHBondContact O-SG 2.9Å |
| 253 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 177.1 | -64.4 | 160.7 | 0 | 0 | 0 | 111.1 | M218 L240 L243 A244 L249 Y251 N255 C256 F281 L285 L306 | M218-I253 HydrophobicContact CE-CD1 4.4Å; M218-I253 HydrophobicContact CE-CG1 3.77Å; M218-I253 HydrophobicContact CG-CG1 4.06Å; M218-I253 HydrophobicContact SD-CD1 4.39Å; M218-I253 HydrophobicContact SD-CG1 3.6Å; M218-I253 VanDerWaalsContact SD-CG1 3.6Å; L240-I253 HydrophobicContact CD2-CG1 4.45Å; L243-I253 HydrophobicContact CB-CD1 3.71Å; A244-I253 HydrophobicContact CB-CD1 4.21Å; L249-I253 HydrophobicContact CB-CD1 4.29Å; L249-I253 WeakPolarHBondContact O-CD1 3.18Å; L249-I253 WeakPolarHBondContact O-CG1 3.34Å; L249-I253 PolarHBondContact O-N 3.04Å; Y251-I253 VanDerWaalsContact C-N 3.33Å; Y251-I253 PolarHBondContact O-N 3.39Å; I253-N255 PolarHBondContact O-N 2.97Å; I253-C256 WeakPolarHBondContact O-CB 3.44Å; I253-C256 PolarHBondContact O-N 2.81Å; I253-F281 HydrophobicContact CG2-CE2 3.95Å; I253-F281 HydrophobicContact CG2-CZ 3.72Å; I253-L285 HydrophobicContact CG2-CD2 3.9Å; I253-L306 HydrophobicContact CG2-CD2 3.87Å; I253-L306 VanDerWaalsContact O-CD2 3.31Å; I253-L306 WeakPolarHBondContact O-CD2 3.46Å |
| 254 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -27.2 | 179.8 | -78.6 | 170.1 | 0 | 0 | 0 | 112.9 | L250 Y251 L285 R289 Y294 Y301 S305 H307 F311 | L250-L254 HydrophobicContact CD1-CD1 3.8Å; L250-L254 HydrophobicContact CD1-CG 4.13Å; L250-L254 HydrophobicContact CG-CD1 3.83Å; L250-L254 VanDerWaalsContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CB 3.27Å; L250-L254 VanDerWaalsContact O-CG 3.27Å; L250-L254 WeakPolarHBondContact O-CG 3.22Å; L250-L254 PolarHBondContact O-N 2.93Å; Y251-L254 PolarHBondContact O-N 3.01Å; L254-L285 HydrophobicContact CD2-CB 4.36Å; L254-L285 HydrophobicContact CD2-CD2 3.92Å; L254-L285 HydrophobicContact CD2-CG 4.49Å; L254-L285 HydrophobicContact CG-CD2 4.13Å; L254-R289 HydrophobicContact CD1-CG 3.53Å; L254-R289 HydrophobicContact CD2-CG 4.48Å; L254-Y294 HydrophobicContact CD1-CE1 4.23Å; L254-Y294 WeakPolarHBondContact CD1-OH 3.42Å; L254-Y301 HydrophobicContact CB-CD1 4.17Å; L254-Y301 HydrophobicContact CB-CE1 3.62Å; L254-Y301 HydrophobicContact CD1-CE1 4.31Å; L254-S305 WeakPolarHBondContact O-CB 3.07Å; L254-H307 HydrophobicContact CB-CB 4.18Å; L254-H307 HydrophobicContact CD2-CB 4.16Å; L254-H307 WeakPolarHBondContact O-CB 3.05Å; L254-H307 PolarHBondContact O-N 3.13Å; L254-F311 HydrophobicContact CD2-CD2 4.32Å; L254-F311 HydrophobicContact CD2-CE2 3.97Å |
| 255 | N | 97.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1.5 | 179 | -157.6 | 33.4 | 0 | 0 | 0 | 114.1 | Y251 D252 I253 Q257 Y301 N302 | Y251-N255 HydrophobicContact CE2-CB 4.3Å; Y251-N255 VanDerWaalsContact O-CB 3.28Å; Y251-N255 WeakPolarHBondContact O-CB 3.34Å; Y251-N255 PolarHBondContact O-N 3.15Å; Y251-N255 PolarHBondContact OH-ND2 3.39Å; D252-N255 PolarHBondContact O-N 3.46Å; I253-N255 PolarHBondContact O-N 2.97Å; N255-Q257 PolarHBondContact O-N 3.44Å; N255-Y301 HydrophobicContact CB-CD1 4.14Å; N255-Y301 WeakPolarHBondContact OD1-CA 3.31Å; N255-N302 PolarHBondContact ND2-ND2 2.79Å; N255-N302 PolarHBondContact O-ND2 2.86Å; N255-N302 PolarHBondContact OD1-N 2.9Å; N255-N302 PolarHBondContact OD1-ND2 3.44Å; N255-N302 VanDerWaalsContact OD1-ND2 3.09Å |
| 256 | C | 98.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -55.9 | 137.8 | 168.8 | -75.6 | 0 | 0 | 0 | 0 | 110.2 | M218 M222 D252 I253 S305 L306 | M218-C256 WeakPolarHBondContact CG-SG 3.5Å; M222-C256 HydrophobicContact CB-CB 4.31Å; M222-C256 HydrophobicContact CE-CB 4Å; M222-C256 HydrophobicContact CG-CB 4.18Å; D252-C256 PolarHBondContact O-N 2.93Å; D252-C256 VanDerWaalsContact O-N 3.15Å; D252-C256 PolarHBondContact O-SG 2.9Å; I253-C256 WeakPolarHBondContact O-CB 3.44Å; I253-C256 PolarHBondContact O-N 2.81Å; C256-S305 CarbonylContact O-C 3.56Å; C256-S305 VanDerWaalsContact O-CA 3.31Å; C256-S305 WeakPolarHBondContact O-CA 3.38Å; C256-L306 PolarHBondContact O-N 3.42Å |
| 257 | Q | 97.8 | Very high | 96.4 | Very high | 121 Ų | 121 | 44.9 Ų | 44.9 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | B | Isolated β-bridge | trans | -70.4 | 146.7 | 173.7 | -67.2 | 175.2 | 2.9 | 0 | 0 | 110.2 | N255 Q304 | N255-Q257 PolarHBondContact O-N 3.44Å; Q257-Q304 CarbonylContact C-O 3.55Å; Q257-Q304 VanDerWaalsContact CA-O 3.3Å; Q257-Q304 WeakPolarHBondContact CA-O 3.39Å |
| 258 | V | 98.1 | Very high | 96.8 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | trans | -136.5 | 151.4 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | M222 Q226 F262 Q304 L306 | M222-V258 HydrophobicContact CG-CG1 3.78Å; M222-V258 HydrophobicContact SD-CG1 3.88Å; Q226-V258 VanDerWaalsContact OE1-CA 3.31Å; V258-F262 HydrophobicContact CB-CB 4.01Å; V258-F262 HydrophobicContact CB-CD2 3.83Å; V258-F262 HydrophobicContact CB-CG 3.98Å; V258-F262 HydrophobicContact CG1-CD2 3.72Å; V258-F262 HydrophobicContact CG1-CE2 3.95Å; V258-F262 HydrophobicContact CG1-CG 4.16Å; V258-F262 HydrophobicContact CG2-CB 4.06Å; V258-F262 HydrophobicContact CG2-CG 4.19Å; V258-Q304 PolarHBondContact N-O 3.09Å; V258-L306 HydrophobicContact CG1-CB 4.02Å; V258-L306 HydrophobicContact CG1-CD1 4.05Å | ||
| 259 | H | 97.1 | Very high | 97 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | trans | -63.6 | 148.7 | 172.9 | -63 | 127.3 | 0 | 0 | 0 | 111.4 | E223 Q226 N261 F262 | E223-H259 IonicContact OE1-CE1 3.23Å; E223-H259 IonicContact OE2-CE1 3.88Å; E223-H259 PolarHBondContact OE2-CE1 3.36Å; E223-H259 VanDerWaalsContact OE2-CE1 3.23Å; E223-H259 IonicContact OE2-NE2 2.67Å; Q226-H259 PolarHBondContact OE1-ND1 3.11Å; H259-N261 WeakPolarHBondContact CB-OD1 3.48Å; H259-N261 PolarHBondContact O-N 2.98Å; H259-F262 VanDerWaalsContact O-CB 3.26Å; H259-F262 WeakPolarHBondContact O-CB 3.33Å; H259-F262 PolarHBondContact O-N 3.32Å | ||
| 260 | S | 94.6 | Very high | 97 | Very high | 136 Ų | 136 | 46.6 Ų | 46.6 | 95% | 0.951 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.2 | 179 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 261 | N | 95 | Very high | 97 | Very high | 89 Ų | 89 | 49 Ų | 49 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 6 | 175.8 | 71.6 | -12.5 | 0 | 0 | 0 | 114.1 | H259 L263 N264 | H259-N261 WeakPolarHBondContact CB-OD1 3.48Å; H259-N261 PolarHBondContact O-N 2.98Å; N261-L263 PolarHBondContact O-N 3.29Å; N261-L263 VanDerWaalsContact O-N 3.1Å; N261-N264 WeakPolarHBondContact O-CB 3.46Å; N261-N264 PolarHBondContact O-N 3.42Å |
| 262 | F | 97.5 | Very high | 97 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -50.5 | -38.2 | -175 | -177.7 | -95.5 | 0 | 0 | 0 | 114.4 | M222 L225 Q226 V258 H259 N264 L265 F266 L306 L310 | M222-F262 HydrophobicContact SD-CE2 3.95Å; L225-F262 HydrophobicContact CD2-CE2 4.33Å; L225-F262 HydrophobicContact CD2-CZ 4.47Å; Q226-F262 HydrophobicContact CG-CD2 3.87Å; Q226-F262 HydrophobicContact CG-CE2 4.22Å; V258-F262 HydrophobicContact CB-CB 4.01Å; V258-F262 HydrophobicContact CB-CD2 3.83Å; V258-F262 HydrophobicContact CB-CG 3.98Å; V258-F262 HydrophobicContact CG1-CD2 3.72Å; V258-F262 HydrophobicContact CG1-CE2 3.95Å; V258-F262 HydrophobicContact CG1-CG 4.16Å; V258-F262 HydrophobicContact CG2-CB 4.06Å; V258-F262 HydrophobicContact CG2-CG 4.19Å; H259-F262 VanDerWaalsContact O-CB 3.26Å; H259-F262 WeakPolarHBondContact O-CB 3.33Å; H259-F262 PolarHBondContact O-N 3.32Å; F262-N264 PolarHBondContact O-N 3.29Å; F262-L265 HydrophobicContact CD2-CD1 3.91Å; F262-L265 HydrophobicContact CE1-CD1 4.42Å; F262-L265 HydrophobicContact CE2-CD1 3.54Å; F262-L265 HydrophobicContact CG-CD1 4.49Å; F262-L265 HydrophobicContact CZ-CD1 3.81Å; F262-L265 WeakPolarHBondContact O-CB 3.45Å; F262-L265 WeakPolarHBondContact O-CG 3.27Å; F262-L265 PolarHBondContact O-N 3.06Å; F262-F266 HydrophobicContact CE1-CE2 4.26Å; F262-L306 HydrophobicContact CD1-CD1 4.19Å; F262-L306 HydrophobicContact CE1-CD1 3.37Å; F262-L306 HydrophobicContact CE2-CD1 4Å; F262-L306 HydrophobicContact CZ-CD1 3.27Å; F262-L310 HydrophobicContact CD1-CD2 4.46Å; F262-L310 HydrophobicContact CE1-CD1 4.32Å; F262-L310 HydrophobicContact CE1-CD2 4Å; F262-L310 HydrophobicContact CE1-CG 4.11Å |
| 263 | L | 97.1 | Very high | 97 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -63.1 | -2.2 | 175 | -67.7 | 179.2 | 0 | 0 | 0 | 114.4 | N261 L265 F266 L310 R316 L317 R320 | N261-L263 PolarHBondContact O-N 3.29Å; N261-L263 VanDerWaalsContact O-N 3.1Å; L263-L265 VanDerWaalsContact C-N 3.27Å; L263-F266 HydrophobicContact CD2-CD2 4.25Å; L263-F266 HydrophobicContact CD2-CE2 4.37Å; L263-F266 PolarHBondContact O-N 3.08Å; L263-L310 HydrophobicContact CD2-CD2 3.93Å; L263-R316 HydrophobicContact CD1-CB 4.04Å; L263-L317 HydrophobicContact CD2-CB 4.3Å; L263-L317 HydrophobicContact CD2-CD1 4.28Å; L263-R320 PolarHBondContact O-NE 3.27Å |
| 264 | N | 96.7 | Very high | 97 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -72.9 | -17.5 | 169.9 | -69 | -7.6 | 0 | 0 | 0 | 113.4 | N261 F262 F266 Q267 Q270 R320 | N261-N264 WeakPolarHBondContact O-CB 3.46Å; N261-N264 PolarHBondContact O-N 3.42Å; F262-N264 PolarHBondContact O-N 3.29Å; N264-F266 PolarHBondContact O-N 3.45Å; N264-Q267 PolarHBondContact O-N 3.32Å; N264-Q267 PolarHBondContact OD1-NE2 3.42Å; N264-Q270 WeakPolarHBondContact O-CG 3.28Å; N264-Q270 PolarHBondContact O-NE2 3.14Å; N264-R320 PolarHBondContact OD1-NH2 3.25Å |
| 265 | L | 97.8 | Very high | 97 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -64 | -17.5 | 169.5 | -62 | 175.9 | 0 | 0 | 0 | 112.8 | L225 F262 L263 L275 V278 | L225-L265 HydrophobicContact CD1-CD1 4.1Å; L225-L265 HydrophobicContact CG-CD1 4Å; F262-L265 HydrophobicContact CD2-CD1 3.91Å; F262-L265 HydrophobicContact CE1-CD1 4.42Å; F262-L265 HydrophobicContact CE2-CD1 3.54Å; F262-L265 HydrophobicContact CG-CD1 4.49Å; F262-L265 HydrophobicContact CZ-CD1 3.81Å; F262-L265 WeakPolarHBondContact O-CB 3.45Å; F262-L265 WeakPolarHBondContact O-CG 3.27Å; F262-L265 PolarHBondContact O-N 3.06Å; L263-L265 VanDerWaalsContact C-N 3.27Å; L265-L275 WeakPolarHBondContact O-CD2 3.37Å; L265-V278 HydrophobicContact CB-CG1 4.01Å; L265-V278 HydrophobicContact CB-CG2 4.34Å |
| 266 | F | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -105.8 | 19.3 | 178.9 | -58.3 | -102.7 | 0 | 0 | 0 | 112.9 | F262 L263 N264 V278 L279 A282 L310 L317 R320 L324 | F262-F266 HydrophobicContact CE1-CE2 4.26Å; L263-F266 HydrophobicContact CD2-CD2 4.25Å; L263-F266 HydrophobicContact CD2-CE2 4.37Å; L263-F266 PolarHBondContact O-N 3.08Å; N264-F266 PolarHBondContact O-N 3.45Å; F266-V278 HydrophobicContact CD1-CG1 3.99Å; F266-V278 HydrophobicContact CD2-CG1 3.99Å; F266-V278 HydrophobicContact CE1-CG1 3.6Å; F266-V278 HydrophobicContact CE2-CG1 3.58Å; F266-V278 HydrophobicContact CG-CG1 4.18Å; F266-V278 HydrophobicContact CZ-CG1 3.38Å; F266-L279 HydrophobicContact CD1-CD2 3.92Å; F266-L279 HydrophobicContact CE1-CD2 4.09Å; F266-A282 HydrophobicContact CE1-CB 3.96Å; F266-A282 HydrophobicContact CZ-CB 4.1Å; F266-L310 HydrophobicContact CE2-CD2 3.65Å; F266-L310 HydrophobicContact CZ-CD2 3.63Å; F266-L317 HydrophobicContact CD1-CD1 3.83Å; F266-L317 HydrophobicContact CD2-CD1 4.39Å; F266-L317 HydrophobicContact CE1-CD1 3.67Å; F266-L317 HydrophobicContact CE2-CD1 4.27Å; F266-L317 HydrophobicContact CG-CD1 4.19Å; F266-L317 HydrophobicContact CZ-CD1 3.91Å; F266-R320 HydrophobicContact CB-CB 3.67Å; F266-R320 HydrophobicContact CB-CG 4.09Å; F266-L324 HydrophobicContact CB-CD1 4.26Å |
| 267 | Q | 96.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | trans | -78.9 | 137.7 | 174.6 | -72 | -178.6 | 17 | 0 | 0 | 111.3 | N264 T269 Q270 | N264-Q267 PolarHBondContact O-N 3.32Å; N264-Q267 PolarHBondContact OD1-NE2 3.42Å; Q267-T269 WeakPolarHBondContact CB-OG1 3.3Å; Q267-T269 PolarHBondContact O-N 2.95Å; Q267-T269 PolarHBondContact OE1-OG1 2.99Å; Q267-Q270 HydrophobicContact CB-CG 4.36Å; Q267-Q270 WeakPolarHBondContact O-CB 3.48Å; Q267-Q270 WeakPolarHBondContact O-CG 3.39Å; Q267-Q270 PolarHBondContact O-N 3.34Å | ||
| 268 | P | 95.8 | Very high | 97.1 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -1.1 | 174.6 | -23.4 | 33.4 | 0 | 0 | 0 | 116.2 | A323 L324 | P268-A323 HydrophobicContact CG-CB 3.89Å; P268-L324 HydrophobicContact CB-CD2 4.21Å; P268-L324 HydrophobicContact CG-CD2 3.95Å; P268-L324 HydrophobicContact CG-CG 4.46Å |
| 269 | T | 95.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 44.1 Ų | 44.1 | 72% | 0.718 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -13.1 | 172.1 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | Q267 | Q267-T269 WeakPolarHBondContact CB-OG1 3.3Å; Q267-T269 PolarHBondContact O-N 2.95Å; Q267-T269 PolarHBondContact OE1-OG1 2.99Å |
| 270 | Q | 96.7 | Very high | 97.2 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -71.8 | 152.5 | 175.2 | -65.3 | -67.9 | -0.1 | 0 | 0 | 110.7 | N264 Q267 G272 L275 | N264-Q270 WeakPolarHBondContact O-CG 3.28Å; N264-Q270 PolarHBondContact O-NE2 3.14Å; Q267-Q270 HydrophobicContact CB-CG 4.36Å; Q267-Q270 WeakPolarHBondContact O-CB 3.48Å; Q267-Q270 WeakPolarHBondContact O-CG 3.39Å; Q267-Q270 PolarHBondContact O-N 3.34Å; Q270-G272 PolarHBondContact O-N 3.29Å; Q270-L275 HydrophobicContact CB-CD1 4.11Å; Q270-L275 HydrophobicContact CB-CD2 4.01Å; Q270-L275 HydrophobicContact CB-CG 3.76Å; Q270-L275 VanDerWaalsContact O-CD1 3.3Å; Q270-L275 WeakPolarHBondContact O-CD1 3.47Å |
| 271 | P | 97.2 | Very high | 97.4 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 34% | 0.344 | 19% | 0.191 | S | C | . | . | trans | -59.1 | 135.9 | 173.7 | -24.2 | 35.8 | 0 | 0 | 0 | 111.6 | I230 S273 L274 L275 | I230-P271 HydrophobicContact CD1-CG 3.98Å; I230-P271 HydrophobicContact CG1-CG 4.26Å; I230-P271 HydrophobicContact CG2-CB 4.48Å; I230-P271 HydrophobicContact CG2-CG 4.08Å; P271-S273 PolarHBondContact O-N 3.01Å; P271-S273 VanDerWaalsContact O-N 3.12Å; P271-L274 WeakPolarHBondContact O-CA 3.33Å; P271-L274 WeakPolarHBondContact O-CB 3.28Å; P271-L274 PolarHBondContact O-N 2.86Å; P271-L275 PolarHBondContact O-N 3.08Å | ||
| 272 | G | 97.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 30 Ų | 30 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -30.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q270 L274 L275 Y276 E329 | Q270-G272 PolarHBondContact O-N 3.29Å; G272-L274 VanDerWaalsContact C-N 3.3Å; G272-L274 PolarHBondContact O-N 3.12Å; G272-L275 PolarHBondContact O-N 3.15Å; G272-Y276 VanDerWaalsContact O-CB 3.3Å; G272-Y276 WeakPolarHBondContact O-CB 3.46Å; G272-Y276 PolarHBondContact O-N 3.49Å; G272-E329 WeakPolarHBondContact CA-OE1 3.28Å |
| 273 | S | 95.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 30.5 Ų | 30.5 | 51% | 0.51 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.3 | -21.7 | 173.9 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | P271 E277 | P271-S273 PolarHBondContact O-N 3.01Å; P271-S273 VanDerWaalsContact O-N 3.12Å; S273-E277 WeakPolarHBondContact O-CG 3.3Å |
| 274 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -87.5 | -46.3 | 168.2 | 177.2 | 61.2 | 0 | 0 | 0 | 110.4 | I230 Q233 V234 P271 G272 Y276 E277 V278 | I230-L274 HydrophobicContact CD1-CD2 3.84Å; I230-L274 HydrophobicContact CG2-CB 4.4Å; Q233-L274 HydrophobicContact CB-CD1 3.76Å; V234-L274 HydrophobicContact CG2-CB 4.06Å; V234-L274 HydrophobicContact CG2-CD1 3.91Å; P271-L274 WeakPolarHBondContact O-CA 3.33Å; P271-L274 WeakPolarHBondContact O-CB 3.28Å; P271-L274 PolarHBondContact O-N 2.86Å; G272-L274 VanDerWaalsContact C-N 3.3Å; G272-L274 PolarHBondContact O-N 3.12Å; L274-Y276 PolarHBondContact O-N 2.94Å; L274-E277 PolarHBondContact O-N 2.88Å; L274-V278 HydrophobicContact CD1-CG2 3.82Å; L274-V278 HydrophobicContact CG-CG2 4.18Å; L274-V278 WeakPolarHBondContact O-CB 3.48Å; L274-V278 WeakPolarHBondContact O-CG2 3.5Å; L274-V278 PolarHBondContact O-N 2.97Å |
| 275 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.4 | -48.3 | 179.2 | -76.4 | 167.8 | 0 | 0 | 0 | 112.3 | L265 Q270 P271 G272 E277 V278 L279 L324 V332 | L265-L275 WeakPolarHBondContact O-CD2 3.37Å; Q270-L275 HydrophobicContact CB-CD1 4.11Å; Q270-L275 HydrophobicContact CB-CD2 4.01Å; Q270-L275 HydrophobicContact CB-CG 3.76Å; Q270-L275 VanDerWaalsContact O-CD1 3.3Å; Q270-L275 WeakPolarHBondContact O-CD1 3.47Å; P271-L275 PolarHBondContact O-N 3.08Å; G272-L275 PolarHBondContact O-N 3.15Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.5Å; L275-V278 PolarHBondContact O-N 3.43Å; L275-L279 WeakPolarHBondContact O-CB 3.26Å; L275-L279 WeakPolarHBondContact O-CD1 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 2.9Å; L275-L324 HydrophobicContact CD1-CD2 3.82Å; L275-L324 HydrophobicContact CD2-CD1 4.05Å; L275-L324 HydrophobicContact CD2-CD2 3.81Å; L275-L324 HydrophobicContact CG-CD2 4.4Å; L275-V332 HydrophobicContact CB-CG1 4.02Å; L275-V332 HydrophobicContact CB-CG2 4.28Å; L275-V332 HydrophobicContact CD1-CG1 4.34Å |
| 276 | Y | 98.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 29.1 Ų | 29.1 | 31% | 0.31 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -56.1 | -46 | 179.4 | 178.2 | -95.3 | 0 | 0 | 0 | 112 | G272 L274 L279 V280 D331 Q335 | G272-Y276 VanDerWaalsContact O-CB 3.3Å; G272-Y276 WeakPolarHBondContact O-CB 3.46Å; G272-Y276 PolarHBondContact O-N 3.49Å; L274-Y276 PolarHBondContact O-N 2.94Å; Y276-L279 PolarHBondContact O-N 3.42Å; Y276-V280 HydrophobicContact CD1-CG2 4.32Å; Y276-V280 HydrophobicContact CE1-CG2 3.88Å; Y276-V280 WeakPolarHBondContact O-CG2 3.44Å; Y276-V280 PolarHBondContact O-N 3.28Å; Y276-D331 HydrophobicContact CD2-CB 4.03Å; Y276-D331 HydrophobicContact CE2-CB 4.16Å; Y276-Q335 HydrophobicContact CD2-CB 3.99Å; Y276-Q335 HydrophobicContact CD2-CG 4.35Å; Y276-Q335 HydrophobicContact CE2-CB 4.04Å; Y276-Q335 HydrophobicContact CE2-CG 4.31Å |
| 277 | E | 98.7 | Very high | 97.3 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.9 | -36.4 | -177.6 | -58.6 | -74.6 | 174.3 | 0 | 0 | 112.1 | V234 V237 R238 S273 L274 L275 L279 V280 F281 | V234-E277 HydrophobicContact CG1-CG 4.43Å; V237-E277 HydrophobicContact CG1-CB 3.58Å; R238-E277 HydrophobicContact CG-CG 4.48Å; R238-E277 WeakPolarHBondContact CG-OE2 3.4Å; R238-E277 IonicContact CZ-OE1 3.67Å; R238-E277 IonicContact NE-OE1 2.6Å; R238-E277 PolarHBondContact NE-OE1 2.9Å; R238-E277 IonicContact NE-OE2 2.74Å; R238-E277 PolarHBondContact NE-OE2 3.15Å; R238-E277 IonicContact NH2-OE1 3.27Å; R238-E277 PolarHBondContact NH2-OE1 3.46Å; S273-E277 WeakPolarHBondContact O-CG 3.3Å; L274-E277 PolarHBondContact O-N 2.88Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.5Å; E277-L279 VanDerWaalsContact C-N 3.34Å; E277-V280 PolarHBondContact O-N 3.33Å; E277-F281 PolarHBondContact O-N 3.2Å |
| 278 | V | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 172.6 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | V237 L265 F266 L274 L275 F281 A282 | V237-V278 HydrophobicContact CG2-CG2 4.1Å; L265-V278 HydrophobicContact CB-CG1 4.01Å; L265-V278 HydrophobicContact CB-CG2 4.34Å; F266-V278 HydrophobicContact CD1-CG1 3.99Å; F266-V278 HydrophobicContact CD2-CG1 3.99Å; F266-V278 HydrophobicContact CE1-CG1 3.6Å; F266-V278 HydrophobicContact CE2-CG1 3.58Å; F266-V278 HydrophobicContact CG-CG1 4.18Å; F266-V278 HydrophobicContact CZ-CG1 3.38Å; L274-V278 HydrophobicContact CD1-CG2 3.82Å; L274-V278 HydrophobicContact CG-CG2 4.18Å; L274-V278 WeakPolarHBondContact O-CB 3.48Å; L274-V278 WeakPolarHBondContact O-CG2 3.5Å; L274-V278 PolarHBondContact O-N 2.97Å; L275-V278 PolarHBondContact O-N 3.43Å; V278-F281 WeakPolarHBondContact O-CB 3.37Å; V278-F281 PolarHBondContact O-N 3.18Å; V278-A282 PolarHBondContact O-N 3.24Å |
| 279 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.4 | -33.3 | 172.5 | -66.3 | 166.1 | 0 | 0 | 0 | 112.4 | F266 L275 Y276 E277 F281 A282 E283 L321 L324 V332 Q335 A336 V339 | F266-L279 HydrophobicContact CD1-CD2 3.92Å; F266-L279 HydrophobicContact CE1-CD2 4.09Å; L275-L279 WeakPolarHBondContact O-CB 3.26Å; L275-L279 WeakPolarHBondContact O-CD1 3.5Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 2.9Å; Y276-L279 PolarHBondContact O-N 3.42Å; E277-L279 VanDerWaalsContact C-N 3.34Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-A282 PolarHBondContact O-N 3.48Å; L279-E283 WeakPolarHBondContact O-CB 3.37Å; L279-E283 PolarHBondContact O-N 3.15Å; L279-L321 HydrophobicContact CD2-CD2 3.32Å; L279-L324 HydrophobicContact CD1-CD1 4.27Å; L279-L324 HydrophobicContact CD2-CD1 4.02Å; L279-L324 HydrophobicContact CG-CD1 4.49Å; L279-V332 HydrophobicContact CD1-CG1 3.85Å; L279-Q335 HydrophobicContact CB-CB 4.17Å; L279-Q335 HydrophobicContact CB-CG 3.5Å; L279-Q335 HydrophobicContact CD1-CB 4.34Å; L279-A336 HydrophobicContact CD1-CB 4.05Å; L279-A336 HydrophobicContact CD2-CB 4.28Å; L279-V339 HydrophobicContact CB-CG2 4.28Å; L279-V339 HydrophobicContact CD2-CG2 4.28Å; L279-V339 WeakPolarHBondContact O-CG2 3.45Å |
| 280 | V | 98.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 168.4 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | Y276 E277 E283 R284 Q335 | Y276-V280 HydrophobicContact CD1-CG2 4.32Å; Y276-V280 HydrophobicContact CE1-CG2 3.88Å; Y276-V280 WeakPolarHBondContact O-CG2 3.44Å; Y276-V280 PolarHBondContact O-N 3.28Å; E277-V280 PolarHBondContact O-N 3.33Å; V280-E283 WeakPolarHBondContact O-CB 3.29Å; V280-E283 PolarHBondContact O-N 3.24Å; V280-R284 WeakPolarHBondContact O-CG 3.45Å; V280-R284 PolarHBondContact O-N 3.09Å; V280-Q335 HydrophobicContact CG2-CG 4.03Å |
| 281 | F | 98.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 174.9 | -173.3 | -140.7 | 0 | 0 | 0 | 111.8 | M222 L225 V237 L240 S241 A244 I253 E277 V278 L279 E283 R284 L285 L306 | M222-F281 HydrophobicContact CE-CZ 4.38Å; L225-F281 HydrophobicContact CD2-CD1 4.36Å; L225-F281 HydrophobicContact CD2-CE1 4.08Å; V237-F281 HydrophobicContact CG2-CB 3.54Å; V237-F281 HydrophobicContact CG2-CD1 3.89Å; V237-F281 HydrophobicContact CG2-CG 3.85Å; L240-F281 HydrophobicContact CB-CD2 4.24Å; L240-F281 HydrophobicContact CB-CE2 3.6Å; L240-F281 HydrophobicContact CB-CZ 3.75Å; L240-F281 HydrophobicContact CD1-CZ 4.32Å; S241-F281 VanDerWaalsContact OG-CA 3.3Å; S241-F281 WeakPolarHBondContact OG-CA 3.18Å; S241-F281 VanDerWaalsContact OG-CB 3.3Å; S241-F281 WeakPolarHBondContact OG-CB 3.3Å; A244-F281 HydrophobicContact CB-CE2 4.4Å; I253-F281 HydrophobicContact CG2-CE2 3.95Å; I253-F281 HydrophobicContact CG2-CZ 3.72Å; E277-F281 PolarHBondContact O-N 3.2Å; V278-F281 WeakPolarHBondContact O-CB 3.37Å; V278-F281 PolarHBondContact O-N 3.18Å; L279-F281 VanDerWaalsContact C-N 3.33Å; F281-E283 VanDerWaalsContact C-N 3.33Å; F281-E283 PolarHBondContact O-N 3.14Å; F281-R284 PolarHBondContact O-N 3.25Å; F281-L285 HydrophobicContact CD1-CD1 4.09Å; F281-L285 HydrophobicContact CD2-CD1 4.04Å; F281-L285 HydrophobicContact CD2-CD2 4.49Å; F281-L285 HydrophobicContact CD2-CG 4.03Å; F281-L285 HydrophobicContact CE1-CD1 3.89Å; F281-L285 HydrophobicContact CE2-CD1 3.83Å; F281-L285 HydrophobicContact CE2-CD2 3.89Å; F281-L285 HydrophobicContact CE2-CG 3.88Å; F281-L285 HydrophobicContact CG-CD1 4.17Å; F281-L285 HydrophobicContact CZ-CD1 3.76Å; F281-L285 HydrophobicContact CZ-CD2 4.28Å; F281-L285 HydrophobicContact CZ-CG 4.29Å; F281-L285 VanDerWaalsContact O-CG 3.29Å; F281-L285 WeakPolarHBondContact O-CG 3.39Å; F281-L285 PolarHBondContact O-N 3.05Å; F281-L306 HydrophobicContact CE1-CD1 4.44Å; F281-L306 HydrophobicContact CE1-CD2 3.96Å; F281-L306 HydrophobicContact CZ-CD2 3.78Å |
| 282 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F266 V278 L279 S286 V339 | F266-A282 HydrophobicContact CE1-CB 3.96Å; F266-A282 HydrophobicContact CZ-CB 4.1Å; V278-A282 PolarHBondContact O-N 3.24Å; L279-A282 PolarHBondContact O-N 3.48Å; A282-S286 WeakPolarHBondContact O-CB 3.49Å; A282-S286 PolarHBondContact O-N 2.85Å; A282-V339 HydrophobicContact CB-CG1 3.91Å; A282-V339 HydrophobicContact CB-CG2 4.23Å |
| 283 | E | 97.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 34 Ų | 34 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.3 | -54.9 | 170.8 | 177.8 | -176.4 | -107.2 | 0 | 0 | 110.6 | L279 V280 F281 L285 S286 E287 Q335 K338 V339 | L279-E283 WeakPolarHBondContact O-CB 3.37Å; L279-E283 PolarHBondContact O-N 3.15Å; V280-E283 WeakPolarHBondContact O-CB 3.29Å; V280-E283 PolarHBondContact O-N 3.24Å; F281-E283 VanDerWaalsContact C-N 3.33Å; F281-E283 PolarHBondContact O-N 3.14Å; E283-L285 PolarHBondContact O-N 2.9Å; E283-S286 CarbonylContact O-C 3.5Å; E283-S286 WeakPolarHBondContact O-CA 3.49Å; E283-S286 WeakPolarHBondContact O-CB 3.26Å; E283-S286 PolarHBondContact O-N 3.39Å; E283-S286 VanDerWaalsContact O-N 3.08Å; E283-E287 HydrophobicContact CG-CG 4.31Å; E283-E287 WeakPolarHBondContact O-CG 3.25Å; E283-E287 PolarHBondContact O-N 3.12Å; E283-Q335 PolarHBondContact OE1-NE2 2.86Å; E283-Q335 PolarHBondContact OE2-NE2 3.4Å; E283-K338 WeakPolarHBondContact OE1-CB 3.3Å; E283-K338 WeakPolarHBondContact OE1-CD 3.37Å; E283-V339 HydrophobicContact CB-CG2 4.14Å |
| 284 | R | 97.5 | Very high | 96 | Very high | 62 Ų | 62 | 31 Ų | 31 | 23% | 0.234 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | -176.4 | -64.9 | -64.3 | 141.4 | 72.3 | 25.8 | 113.5 | A244 Q245 V280 F281 S286 E287 G288 | A244-R284 HydrophobicContact CB-CB 4.24Å; Q245-R284 HydrophobicContact CG-CG 4.3Å; V280-R284 WeakPolarHBondContact O-CG 3.45Å; V280-R284 PolarHBondContact O-N 3.09Å; F281-R284 PolarHBondContact O-N 3.25Å; R284-S286 VanDerWaalsContact C-N 3.33Å; R284-E287 VanDerWaalsContact CD-OE2 3.23Å; R284-E287 WeakPolarHBondContact CD-OE2 3.5Å; R284-E287 IonicContact NE-OE2 2.86Å; R284-E287 PolarHBondContact NE-OE2 2.99Å; R284-G288 PolarHBondContact O-N 3.05Å |
| 285 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 173.4 | -66.6 | 172.7 | 0 | 0 | 0 | 111.5 | A244 L250 I253 L254 F281 E283 R289 L306 L310 F311 | A244-L285 HydrophobicContact CB-CD2 3.97Å; L250-L285 HydrophobicContact CD1-CD2 3.85Å; I253-L285 HydrophobicContact CG2-CD2 3.9Å; L254-L285 HydrophobicContact CD2-CB 4.36Å; L254-L285 HydrophobicContact CD2-CD2 3.92Å; L254-L285 HydrophobicContact CD2-CG 4.49Å; L254-L285 HydrophobicContact CG-CD2 4.13Å; F281-L285 HydrophobicContact CD1-CD1 4.09Å; F281-L285 HydrophobicContact CD2-CD1 4.04Å; F281-L285 HydrophobicContact CD2-CD2 4.49Å; F281-L285 HydrophobicContact CD2-CG 4.03Å; F281-L285 HydrophobicContact CE1-CD1 3.89Å; F281-L285 HydrophobicContact CE2-CD1 3.83Å; F281-L285 HydrophobicContact CE2-CD2 3.89Å; F281-L285 HydrophobicContact CE2-CG 3.88Å; F281-L285 HydrophobicContact CG-CD1 4.17Å; F281-L285 HydrophobicContact CZ-CD1 3.76Å; F281-L285 HydrophobicContact CZ-CD2 4.28Å; F281-L285 HydrophobicContact CZ-CG 4.29Å; F281-L285 VanDerWaalsContact O-CG 3.29Å; F281-L285 WeakPolarHBondContact O-CG 3.39Å; F281-L285 PolarHBondContact O-N 3.05Å; E283-L285 PolarHBondContact O-N 2.9Å; L285-R289 WeakPolarHBondContact O-CB 3.26Å; L285-R289 WeakPolarHBondContact O-CG 3.14Å; L285-R289 PolarHBondContact O-N 2.99Å; L285-L306 HydrophobicContact CD1-CD2 3.81Å; L285-L306 HydrophobicContact CD1-CG 4.39Å; L285-L310 HydrophobicContact CD1-CD1 3.68Å; L285-F311 HydrophobicContact CB-CE2 3.9Å; L285-F311 HydrophobicContact CB-CZ 3.8Å; L285-F311 HydrophobicContact CD1-CE2 4.43Å |
| 286 | S | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -47.1 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | A282 E283 R284 R289 N290 S342 | A282-S286 WeakPolarHBondContact O-CB 3.49Å; A282-S286 PolarHBondContact O-N 2.85Å; E283-S286 CarbonylContact O-C 3.5Å; E283-S286 WeakPolarHBondContact O-CA 3.49Å; E283-S286 WeakPolarHBondContact O-CB 3.26Å; E283-S286 PolarHBondContact O-N 3.39Å; E283-S286 VanDerWaalsContact O-N 3.08Å; R284-S286 VanDerWaalsContact C-N 3.33Å; S286-R289 PolarHBondContact O-N 3.36Å; S286-N290 VanDerWaalsContact O-CB 3.3Å; S286-N290 WeakPolarHBondContact O-CB 3.36Å; S286-N290 PolarHBondContact O-N 3.41Å; S286-N290 PolarHBondContact O-ND2 2.86Å; S286-S342 VanDerWaalsContact CB-OG 3.27Å; S286-S342 WeakPolarHBondContact CB-OG 3.13Å; S286-S342 VanDerWaalsContact OG-C 3.23Å; S286-S342 WeakPolarHBondContact OG-CB 3.13Å; S286-S342 PolarHBondContact OG-O 2.82Å; S286-S342 PolarHBondContact OG-OG 2.93Å |
| 287 | E | 94.3 | Very high | 95 | Very high | 96 Ų | 96 | 40 Ų | 40 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 174.7 | -71.3 | -179.3 | 132.3 | 0 | 0 | 111.6 | E283 R284 N290 A291 | E283-E287 HydrophobicContact CG-CG 4.31Å; E283-E287 WeakPolarHBondContact O-CG 3.25Å; E283-E287 PolarHBondContact O-N 3.12Å; R284-E287 VanDerWaalsContact CD-OE2 3.23Å; R284-E287 WeakPolarHBondContact CD-OE2 3.5Å; R284-E287 IonicContact NE-OE2 2.86Å; R284-E287 PolarHBondContact NE-OE2 2.99Å; E287-N290 CarbonylContact O-C 3.57Å; E287-N290 PolarHBondContact O-N 3.46Å; E287-N290 VanDerWaalsContact O-N 3.14Å; E287-A291 PolarHBondContact O-N 2.88Å |
| 288 | G | 94.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R284 N290 A291 Y294 | R284-G288 PolarHBondContact O-N 3.05Å; G288-N290 PolarHBondContact O-N 3.2Å; G288-A291 VanDerWaalsContact O-CB 3.28Å; G288-A291 WeakPolarHBondContact O-CB 3.48Å; G288-A291 PolarHBondContact O-N 3.04Å; G288-Y294 WeakPolarHBondContact O-CB 3.47Å |
| 289 | R | 93.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -26.3 | 174.6 | -75.2 | 174.4 | 67.4 | -118.7 | -0.2 | 112.9 | L254 L285 S286 Y294 R295 H307 F311 | L254-R289 HydrophobicContact CD1-CG 3.53Å; L254-R289 HydrophobicContact CD2-CG 4.48Å; L285-R289 WeakPolarHBondContact O-CB 3.26Å; L285-R289 WeakPolarHBondContact O-CG 3.14Å; L285-R289 PolarHBondContact O-N 2.99Å; S286-R289 PolarHBondContact O-N 3.36Å; R289-Y294 HydrophobicContact CG-CD1 4.5Å; R289-Y294 HydrophobicContact CG-CE1 4.15Å; R289-R295 VanDerWaalsContact O-CG 3.27Å; R289-R295 WeakPolarHBondContact O-CG 3.21Å; R289-H307 PolarHBondContact NE-CD2 2.86Å; R289-H307 PolarHBondContact NH2-NE2 3.35Å; R289-F311 VanDerWaalsContact NH1-CB 3.35Å; R289-F311 VanDerWaalsContact NH1-CD1 3.26Å |
| 290 | N | 91.2 | Very high | 94.3 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -85.4 | -9.1 | 178.6 | -71.1 | -19.7 | 0 | 0 | 0 | 113.7 | S286 E287 G288 R295 S342 | S286-N290 VanDerWaalsContact O-CB 3.3Å; S286-N290 WeakPolarHBondContact O-CB 3.36Å; S286-N290 PolarHBondContact O-N 3.41Å; S286-N290 PolarHBondContact O-ND2 2.86Å; E287-N290 CarbonylContact O-C 3.57Å; E287-N290 PolarHBondContact O-N 3.46Å; E287-N290 VanDerWaalsContact O-N 3.14Å; G288-N290 PolarHBondContact O-N 3.2Å; N290-R295 VanDerWaalsContact CG-NH2 3.3Å; N290-R295 PolarHBondContact OD1-NH2 3.08Å; N290-S342 PolarHBondContact ND2-O 3.45Å |
| 291 | A | 91.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -67.7 | 139.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E287 G288 H293 Y294 R295 | E287-A291 PolarHBondContact O-N 2.88Å; G288-A291 VanDerWaalsContact O-CB 3.28Å; G288-A291 WeakPolarHBondContact O-CB 3.48Å; G288-A291 PolarHBondContact O-N 3.04Å; A291-H293 VanDerWaalsContact C-N 3.33Å; A291-H293 VanDerWaalsContact CB-NE2 3.29Å; A291-H293 WeakPolarHBondContact CB-NE2 3.35Å; A291-H293 PolarHBondContact O-N 3.28Å; A291-Y294 PolarHBondContact O-N 3.05Å; A291-R295 PolarHBondContact O-N 3.27Å |
| 292 | P | 91.3 | Very high | 94.1 | Very high | 103 Ų | 103 | 61.7 Ų | 61.7 | 67% | 0.669 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.2 | -37.6 | -173.7 | -27.6 | 35.2 | 0 | 0 | 0 | 114.8 | Y294 A296 | P292-Y294 VanDerWaalsContact C-N 3.32Å; P292-A296 WeakPolarHBondContact O-CB 3.4Å; P292-A296 PolarHBondContact O-N 3.08Å; P292-A296 VanDerWaalsContact O-N 3.1Å |
| 293 | H | 90.6 | Very high | 94 | Very high | 111 Ų | 111 | 70.3 Ų | 70.3 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.7 | -32.3 | 178.9 | 65.4 | -95.8 | 0 | 0 | 0 | 112.1 | N247 A291 | N247-H293 PolarHBondContact ND2-NE2 3.4Å; N247-H293 PolarHBondContact OD1-NE2 3.07Å; A291-H293 VanDerWaalsContact C-N 3.33Å; A291-H293 VanDerWaalsContact CB-NE2 3.29Å; A291-H293 WeakPolarHBondContact CB-NE2 3.35Å; A291-H293 PolarHBondContact O-N 3.28Å |
| 294 | Y | 93.5 | Very high | 93.9 | Very high | 11 Ų | 11 | 75.7 Ų | 75.7 | 4% | 0.043 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -77.7 | -42 | 178.5 | -162.5 | -92.4 | 0 | 0 | 0 | 110.9 | L250 Y251 L254 G288 R289 A291 P292 A296 V297 W299 Y301 | L250-Y294 HydrophobicContact CB-CE2 4.15Å; L250-Y294 HydrophobicContact CD2-CD1 4.46Å; L250-Y294 HydrophobicContact CD2-CD2 3.71Å; L250-Y294 HydrophobicContact CD2-CE2 3.79Å; L250-Y294 HydrophobicContact CD2-CG 4.07Å; L250-Y294 HydrophobicContact CG-CD2 4.33Å; L250-Y294 HydrophobicContact CG-CE2 3.91Å; Y251-Y294 WeakPolarHBondContact CA-OH 3.37Å; L254-Y294 HydrophobicContact CD1-CE1 4.23Å; L254-Y294 WeakPolarHBondContact CD1-OH 3.42Å; G288-Y294 WeakPolarHBondContact O-CB 3.47Å; R289-Y294 HydrophobicContact CG-CD1 4.5Å; R289-Y294 HydrophobicContact CG-CE1 4.15Å; A291-Y294 PolarHBondContact O-N 3.05Å; P292-Y294 VanDerWaalsContact C-N 3.32Å; Y294-A296 PolarHBondContact O-N 3.43Å; Y294-V297 PolarHBondContact O-N 3.33Å; Y294-W299 AromaticContact CD1-CD1 3.87Å; Y294-W299 AromaticContact CD1-NE1 3.5Å; Y294-W299 AromaticContact CD2-CE2 3.89Å; Y294-W299 AromaticContact CD2-CZ2 3.85Å; Y294-W299 HydrophobicContact CD2-CZ2 3.85Å; Y294-W299 AromaticContact CD2-NE1 3.72Å; Y294-W299 AromaticContact CE1-CD1 3.41Å; Y294-W299 VanDerWaalsContact CE1-CD1 3.41Å; Y294-W299 HydrophobicContact CE1-CG 4.13Å; Y294-W299 AromaticContact CE1-NE1 3.37Å; Y294-W299 HydrophobicContact CE2-CD2 4.23Å; Y294-W299 AromaticContact CE2-CE2 3.53Å; Y294-W299 HydrophobicContact CE2-CH2 4.44Å; Y294-W299 AromaticContact CE2-CZ2 3.66Å; Y294-W299 HydrophobicContact CE2-CZ2 3.66Å; Y294-W299 AromaticContact CE2-NE1 3.59Å; Y294-W299 AromaticContact CG-NE1 3.67Å; Y294-W299 AromaticContact CZ-CD1 3.64Å; Y294-W299 AromaticContact CZ-CD2 3.98Å; Y294-W299 AromaticContact CZ-CE2 3.63Å; Y294-W299 AromaticContact CZ-CG 3.98Å; Y294-W299 AromaticContact CZ-NE1 3.4Å; Y294-W299 PolarHBondContact O-NE1 3.08Å; Y294-Y301 WeakPolarHBondContact CE1-OH 3.48Å; Y294-Y301 PolarHBondContact OH-OH 3.14Å |
| 295 | R | 90.6 | Very high | 93.9 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.4 | -21.5 | 173.5 | -71.6 | -173 | 170.6 | 174.8 | 1.2 | 114 | R289 N290 A291 V297 Y345 | R289-R295 VanDerWaalsContact O-CG 3.27Å; R289-R295 WeakPolarHBondContact O-CG 3.21Å; N290-R295 VanDerWaalsContact CG-NH2 3.3Å; N290-R295 PolarHBondContact OD1-NH2 3.08Å; A291-R295 PolarHBondContact O-N 3.27Å; R295-V297 PolarHBondContact O-N 3.35Å; R295-Y345 PolarHBondContact NH2-O 2.91Å |
| 296 | A | 92.1 | Very high | 94 | Very high | 87 Ų | 87 | 72.8 Ų | 72.8 | 72% | 0.719 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | P292 Y294 | P292-A296 WeakPolarHBondContact O-CB 3.4Å; P292-A296 PolarHBondContact O-N 3.08Å; P292-A296 VanDerWaalsContact O-N 3.1Å; Y294-A296 PolarHBondContact O-N 3.43Å |
| 297 | V | 92.9 | Very high | 94.1 | Very high | 73 Ų | 73 | 73.8 Ų | 73.8 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -110.7 | 132.6 | -179.4 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | Y294 R295 W299 | Y294-V297 PolarHBondContact O-N 3.33Å; R295-V297 PolarHBondContact O-N 3.35Å; V297-W299 HydrophobicContact CB-CD2 4.34Å; V297-W299 HydrophobicContact CB-CZ2 3.77Å; V297-W299 HydrophobicContact CG1-CD2 3.81Å; V297-W299 HydrophobicContact CG1-CE3 4.1Å; V297-W299 HydrophobicContact CG1-CG 4.36Å; V297-W299 HydrophobicContact CG1-CH2 4.07Å; V297-W299 HydrophobicContact CG1-CZ2 3.73Å; V297-W299 HydrophobicContact CG1-CZ3 4.23Å; V297-W299 HydrophobicContact CG2-CZ2 4.2Å; V297-W299 PolarHBondContact O-N 2.89Å; V297-W299 VanDerWaalsContact O-N 3.08Å; V297-W299 PolarHBondContact O-NE1 3.31Å |
| 298 | K | 91.3 | Very high | 94.3 | Very high | 171 Ų | 171 | 72.6 Ų | 72.6 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | trans | -81 | 86.1 | 171.2 | -167.7 | -169.6 | 176.2 | -156.9 | 0 | 110.2 | H300 | K298-H300 VanDerWaalsContact CE-NE2 3.33Å; K298-H300 WeakPolarHBondContact CE-NE2 3.4Å; K298-H300 PolarHBondContact NZ-NE2 2.92Å; K298-H300 VanDerWaalsContact NZ-NE2 3.13Å; K298-H300 PolarHBondContact O-CE1 2.77Å; K298-H300 VanDerWaalsContact O-CE1 3.29Å; K298-H300 PolarHBondContact O-ND1 3.28Å; K298-H300 VanDerWaalsContact O-ND1 3.12Å | ||
| 299 | W | 94.6 | Very high | 94.4 | Very high | 82 Ų | 82 | 73.2 Ų | 73.2 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | trans | -64.6 | 151.1 | 169.5 | -51.9 | 99.1 | 0 | 0 | 0 | 111.3 | Y251 Y294 V297 Y301 | Y251-W299 HydrophobicContact CD1-CE3 4.26Å; Y251-W299 HydrophobicContact CD1-CZ3 4.15Å; Y251-W299 HydrophobicContact CD2-CB 4.22Å; Y251-W299 AromaticContact CD2-CD2 3.84Å; Y251-W299 HydrophobicContact CD2-CD2 3.84Å; Y251-W299 AromaticContact CD2-CE3 3.25Å; Y251-W299 HydrophobicContact CD2-CE3 3.25Å; Y251-W299 HydrophobicContact CD2-CG 4.25Å; Y251-W299 AromaticContact CD2-CZ3 3.91Å; Y251-W299 HydrophobicContact CD2-CZ3 3.91Å; Y251-W299 HydrophobicContact CE2-CB 4.27Å; Y251-W299 HydrophobicContact CE2-CD2 4.48Å; Y251-W299 AromaticContact CE2-CE3 3.77Å; Y251-W299 HydrophobicContact CE2-CE3 3.77Å; Y251-W299 HydrophobicContact CG-CD2 4.35Å; Y251-W299 AromaticContact CG-CE3 3.53Å; Y251-W299 HydrophobicContact CG-CE3 3.53Å; Y251-W299 AromaticContact CG-CZ3 3.66Å; Y251-W299 HydrophobicContact CG-CZ3 3.66Å; Y294-W299 AromaticContact CD1-CD1 3.87Å; Y294-W299 AromaticContact CD1-NE1 3.5Å; Y294-W299 AromaticContact CD2-CE2 3.89Å; Y294-W299 AromaticContact CD2-CZ2 3.85Å; Y294-W299 HydrophobicContact CD2-CZ2 3.85Å; Y294-W299 AromaticContact CD2-NE1 3.72Å; Y294-W299 AromaticContact CE1-CD1 3.41Å; Y294-W299 VanDerWaalsContact CE1-CD1 3.41Å; Y294-W299 HydrophobicContact CE1-CG 4.13Å; Y294-W299 AromaticContact CE1-NE1 3.37Å; Y294-W299 HydrophobicContact CE2-CD2 4.23Å; Y294-W299 AromaticContact CE2-CE2 3.53Å; Y294-W299 HydrophobicContact CE2-CH2 4.44Å; Y294-W299 AromaticContact CE2-CZ2 3.66Å; Y294-W299 HydrophobicContact CE2-CZ2 3.66Å; Y294-W299 AromaticContact CE2-NE1 3.59Å; Y294-W299 AromaticContact CG-NE1 3.67Å; Y294-W299 AromaticContact CZ-CD1 3.64Å; Y294-W299 AromaticContact CZ-CD2 3.98Å; Y294-W299 AromaticContact CZ-CE2 3.63Å; Y294-W299 AromaticContact CZ-CG 3.98Å; Y294-W299 AromaticContact CZ-NE1 3.4Å; Y294-W299 PolarHBondContact O-NE1 3.08Å; V297-W299 HydrophobicContact CB-CD2 4.34Å; V297-W299 HydrophobicContact CB-CZ2 3.77Å; V297-W299 HydrophobicContact CG1-CD2 3.81Å; V297-W299 HydrophobicContact CG1-CE3 4.1Å; V297-W299 HydrophobicContact CG1-CG 4.36Å; V297-W299 HydrophobicContact CG1-CH2 4.07Å; V297-W299 HydrophobicContact CG1-CZ2 3.73Å; V297-W299 HydrophobicContact CG1-CZ3 4.23Å; V297-W299 HydrophobicContact CG2-CZ2 4.2Å; V297-W299 PolarHBondContact O-N 2.89Å; V297-W299 VanDerWaalsContact O-N 3.08Å; V297-W299 PolarHBondContact O-NE1 3.31Å; W299-Y301 HydrophobicContact CB-CE1 4.33Å; W299-Y301 HydrophobicContact CB-CE2 3.78Å | ||
| 300 | H | 95.1 | Very high | 94.6 | Very high | 119 Ų | 119 | 70.6 Ų | 70.6 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | trans | -129.9 | 130 | 171.8 | -59.3 | 79.2 | 0 | 0 | 0 | 106.4 | Y251 K298 | Y251-H300 WeakPolarHBondContact CE2-O 3.48Å; Y251-H300 PolarHBondContact OH-O 2.85Å; Y251-H300 VanDerWaalsContact OH-O 3.08Å; K298-H300 VanDerWaalsContact CE-NE2 3.33Å; K298-H300 WeakPolarHBondContact CE-NE2 3.4Å; K298-H300 PolarHBondContact NZ-NE2 2.92Å; K298-H300 VanDerWaalsContact NZ-NE2 3.13Å; K298-H300 PolarHBondContact O-CE1 2.77Å; K298-H300 VanDerWaalsContact O-CE1 3.29Å; K298-H300 PolarHBondContact O-ND1 3.28Å; K298-H300 VanDerWaalsContact O-ND1 3.12Å | ||
| 301 | Y | 96.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 70 Ų | 70 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | trans | -115.4 | 160 | -176.3 | -52.5 | -88.3 | 0 | 0 | 0 | 110.5 | Y251 L254 N255 Y294 W299 H307 | Y251-Y301 HydrophobicContact CD2-CD1 4.18Å; Y251-Y301 AromaticContact CD2-CE1 3.68Å; Y251-Y301 HydrophobicContact CD2-CE1 3.68Å; Y251-Y301 AromaticContact CE2-CD1 3.96Å; Y251-Y301 HydrophobicContact CE2-CD1 3.96Å; Y251-Y301 AromaticContact CE2-CE1 3.91Å; Y251-Y301 HydrophobicContact CE2-CE1 3.91Å; L254-Y301 HydrophobicContact CB-CD1 4.17Å; L254-Y301 HydrophobicContact CB-CE1 3.62Å; L254-Y301 HydrophobicContact CD1-CE1 4.31Å; N255-Y301 HydrophobicContact CB-CD1 4.14Å; N255-Y301 WeakPolarHBondContact OD1-CA 3.31Å; Y294-Y301 WeakPolarHBondContact CE1-OH 3.48Å; Y294-Y301 PolarHBondContact OH-OH 3.14Å; W299-Y301 HydrophobicContact CB-CE1 4.33Å; W299-Y301 HydrophobicContact CB-CE2 3.78Å; Y301-H307 HydrophobicContact CD1-CB 3.77Å; Y301-H307 HydrophobicContact CD2-CB 4.07Å; Y301-H307 AromaticContact CD2-CE1 3.85Å; Y301-H307 AromaticContact CD2-CG 3.52Å; Y301-H307 AromaticContact CD2-ND1 3.07Å; Y301-H307 WeakPolarHBondContact CD2-ND1 3.31Å; Y301-H307 HydrophobicContact CE1-CB 4.07Å; Y301-H307 HydrophobicContact CE2-CB 4.35Å; Y301-H307 AromaticContact CE2-CG 3.64Å; Y301-H307 AromaticContact CE2-ND1 3.53Å; Y301-H307 HydrophobicContact CG-CB 3.77Å; Y301-H307 AromaticContact CG-CG 3.76Å; Y301-H307 AromaticContact CG-ND1 3.55Å; Y301-H307 AromaticContact CZ-CG 3.98Å | ||
| 302 | N | 95.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 69.9 Ų | 69.9 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | trans | -70.7 | 149 | 173.3 | -59 | -46 | 0 | 0 | 0 | 110.8 | N255 Q304 S305 | N255-N302 PolarHBondContact ND2-ND2 2.79Å; N255-N302 PolarHBondContact O-ND2 2.86Å; N255-N302 PolarHBondContact OD1-N 2.9Å; N255-N302 PolarHBondContact OD1-ND2 3.44Å; N255-N302 VanDerWaalsContact OD1-ND2 3.09Å; N302-Q304 PolarHBondContact O-N 3.08Å; N302-S305 WeakPolarHBondContact O-CB 3.39Å; N302-S305 PolarHBondContact O-N 3.4Å; N302-S305 PolarHBondContact O-OG 3.39Å | ||
| 303 | E | 95.3 | Very high | 94.9 | Very high | 181 Ų | 181 | 74.3 Ų | 74.3 | 85% | 0.846 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.9 | 178.2 | -61.9 | 174 | 175 | 0 | 0 | 113.1 | S305 | E303-S305 VanDerWaalsContact C-N 3.32Š|
| 304 | Q | 96.4 | Very high | 95 | Very high | 129 Ų | 129 | 77.3 Ų | 77.3 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 20 | 178 | -62.3 | 179.1 | -5.6 | 0 | 0 | 112.6 | Q257 V258 N302 | Q257-Q304 CarbonylContact C-O 3.55Å; Q257-Q304 VanDerWaalsContact CA-O 3.3Å; Q257-Q304 WeakPolarHBondContact CA-O 3.39Å; V258-Q304 PolarHBondContact N-O 3.09Å; N302-Q304 PolarHBondContact O-N 3.08Å |
| 305 | S | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 157.4 | -175.1 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | L254 C256 N302 E303 H307 E308 S309 | L254-S305 WeakPolarHBondContact O-CB 3.07Å; C256-S305 CarbonylContact O-C 3.56Å; C256-S305 VanDerWaalsContact O-CA 3.31Å; C256-S305 WeakPolarHBondContact O-CA 3.38Å; N302-S305 WeakPolarHBondContact O-CB 3.39Å; N302-S305 PolarHBondContact O-N 3.4Å; N302-S305 PolarHBondContact O-OG 3.39Å; E303-S305 VanDerWaalsContact C-N 3.32Å; S305-H307 PolarHBondContact O-N 2.94Å; S305-E308 PolarHBondContact O-N 3.49Å; S305-E308 PolarHBondContact OG-N 3.37Å; S305-E308 VanDerWaalsContact OG-N 3.13Å; S305-S309 WeakPolarHBondContact O-CB 3.42Å; S305-S309 PolarHBondContact O-N 3.43Å |
| 306 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -53.5 | -37.8 | 166.6 | -180 | 69.4 | 0 | 0 | 0 | 111.8 | M222 I253 C256 V258 F262 F281 L285 L310 | M222-L306 HydrophobicContact CE-CD2 3.82Å; M222-L306 HydrophobicContact SD-CD1 4.43Å; I253-L306 HydrophobicContact CG2-CD2 3.87Å; I253-L306 VanDerWaalsContact O-CD2 3.31Å; I253-L306 WeakPolarHBondContact O-CD2 3.46Å; C256-L306 PolarHBondContact O-N 3.42Å; V258-L306 HydrophobicContact CG1-CB 4.02Å; V258-L306 HydrophobicContact CG1-CD1 4.05Å; F262-L306 HydrophobicContact CD1-CD1 4.19Å; F262-L306 HydrophobicContact CE1-CD1 3.37Å; F262-L306 HydrophobicContact CE2-CD1 4Å; F262-L306 HydrophobicContact CZ-CD1 3.27Å; F281-L306 HydrophobicContact CE1-CD1 4.44Å; F281-L306 HydrophobicContact CE1-CD2 3.96Å; F281-L306 HydrophobicContact CZ-CD2 3.78Å; L285-L306 HydrophobicContact CD1-CD2 3.81Å; L285-L306 HydrophobicContact CD1-CG 4.39Å; L306-L310 HydrophobicContact CD1-CD1 3.66Å; L306-L310 HydrophobicContact CD1-CG 4.13Å; L306-L310 HydrophobicContact CG-CD1 4Å; L306-L310 WeakPolarHBondContact O-CB 3.33Å; L306-L310 PolarHBondContact O-N 3.49Å |
| 307 | H | 97.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 76.5 Ų | 76.5 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.9 | -50.8 | 175.8 | 169.4 | -100.9 | 0 | 0 | 0 | 111.8 | L254 R289 Y301 S305 L310 F311 G312 | L254-H307 HydrophobicContact CB-CB 4.18Å; L254-H307 HydrophobicContact CD2-CB 4.16Å; L254-H307 WeakPolarHBondContact O-CB 3.05Å; L254-H307 PolarHBondContact O-N 3.13Å; R289-H307 PolarHBondContact NE-CD2 2.86Å; R289-H307 PolarHBondContact NH2-NE2 3.35Å; Y301-H307 HydrophobicContact CD1-CB 3.77Å; Y301-H307 HydrophobicContact CD2-CB 4.07Å; Y301-H307 AromaticContact CD2-CE1 3.85Å; Y301-H307 AromaticContact CD2-CG 3.52Å; Y301-H307 AromaticContact CD2-ND1 3.07Å; Y301-H307 WeakPolarHBondContact CD2-ND1 3.31Å; Y301-H307 HydrophobicContact CE1-CB 4.07Å; Y301-H307 HydrophobicContact CE2-CB 4.35Å; Y301-H307 AromaticContact CE2-CG 3.64Å; Y301-H307 AromaticContact CE2-ND1 3.53Å; Y301-H307 HydrophobicContact CG-CB 3.77Å; Y301-H307 AromaticContact CG-CG 3.76Å; Y301-H307 AromaticContact CG-ND1 3.55Å; Y301-H307 AromaticContact CZ-CG 3.98Å; S305-H307 PolarHBondContact O-N 2.94Å; H307-L310 PolarHBondContact O-N 2.88Å; H307-F311 AromaticContact CD2-CD2 3.89Å; H307-F311 CarbonylContact O-C 3.45Å; H307-F311 WeakPolarHBondContact O-CA 3.35Å; H307-F311 WeakPolarHBondContact O-CB 3.31Å; H307-F311 PolarHBondContact O-N 2.91Å; H307-G312 PolarHBondContact O-N 2.75Å |
| 308 | E | 97.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 75.7 Ų | 75.7 | 33% | 0.327 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.6 | -167.2 | 57.6 | -148.3 | 0 | 0 | 110.9 | S305 L310 G312 E313 | S305-E308 PolarHBondContact O-N 3.49Å; S305-E308 PolarHBondContact OG-N 3.37Å; S305-E308 VanDerWaalsContact OG-N 3.13Å; E308-L310 PolarHBondContact O-N 2.93Å; E308-G312 VanDerWaalsContact CD-CA 3.41Å; E308-G312 VanDerWaalsContact O-CA 3.3Å; E308-G312 WeakPolarHBondContact O-CA 3.48Å; E308-G312 PolarHBondContact O-N 3.4Å; E308-G312 WeakPolarHBondContact OE1-CA 3.25Å; E308-G312 WeakPolarHBondContact OE2-CA 3.44Å; E308-E313 PolarHBondContact OE1-N 3.18Å |
| 309 | S | 97.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 71.2 Ų | 71.2 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 178.3 | -165.6 | 0 | 0 | 0 | 0 | 113.7 | S305 S315 | S305-S309 WeakPolarHBondContact O-CB 3.42Å; S305-S309 PolarHBondContact O-N 3.43Å; S309-S315 WeakPolarHBondContact O-CB 3.39Å; S309-S315 PolarHBondContact O-OG 3.47Å |
| 310 | L | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -95.1 | -26.3 | -178 | -72 | 178.4 | 0 | 0 | 0 | 115 | F262 L263 F266 L285 L306 H307 E308 S315 L317 | F262-L310 HydrophobicContact CD1-CD2 4.46Å; F262-L310 HydrophobicContact CE1-CD1 4.32Å; F262-L310 HydrophobicContact CE1-CD2 4Å; F262-L310 HydrophobicContact CE1-CG 4.11Å; L263-L310 HydrophobicContact CD2-CD2 3.93Å; F266-L310 HydrophobicContact CE2-CD2 3.65Å; F266-L310 HydrophobicContact CZ-CD2 3.63Å; L285-L310 HydrophobicContact CD1-CD1 3.68Å; L306-L310 HydrophobicContact CD1-CD1 3.66Å; L306-L310 HydrophobicContact CD1-CG 4.13Å; L306-L310 HydrophobicContact CG-CD1 4Å; L306-L310 WeakPolarHBondContact O-CB 3.33Å; L306-L310 PolarHBondContact O-N 3.49Å; H307-L310 PolarHBondContact O-N 2.88Å; E308-L310 PolarHBondContact O-N 2.93Å; L310-S315 WeakPolarHBondContact CA-OG 3.3Å; L310-S315 PolarHBondContact O-OG 3.35Å; L310-L317 HydrophobicContact CB-CD2 4.31Å; L310-L317 HydrophobicContact CD2-CD1 4Å; L310-L317 HydrophobicContact CD2-CD2 4.08Å; L310-L317 WeakPolarHBondContact O-CD2 3.36Å |
| 311 | F | 95.8 | Very high | 96 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -148.1 | 10.9 | -164.8 | -44.5 | -72.7 | 0 | 0 | 0 | 114.3 | L254 L285 R289 H307 L317 L343 | L254-F311 HydrophobicContact CD2-CD2 4.32Å; L254-F311 HydrophobicContact CD2-CE2 3.97Å; L285-F311 HydrophobicContact CB-CE2 3.9Å; L285-F311 HydrophobicContact CB-CZ 3.8Å; L285-F311 HydrophobicContact CD1-CE2 4.43Å; R289-F311 VanDerWaalsContact NH1-CB 3.35Å; R289-F311 VanDerWaalsContact NH1-CD1 3.26Å; H307-F311 AromaticContact CD2-CD2 3.89Å; H307-F311 CarbonylContact O-C 3.45Å; H307-F311 WeakPolarHBondContact O-CA 3.35Å; H307-F311 WeakPolarHBondContact O-CB 3.31Å; H307-F311 PolarHBondContact O-N 2.91Å; F311-L317 HydrophobicContact CD1-CD2 4.42Å; F311-L317 HydrophobicContact CE1-CD2 4.23Å; F311-L343 HydrophobicContact CD1-CD2 3.66Å; F311-L343 HydrophobicContact CE1-CD2 3.7Å |
| 312 | G | 93.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 13% | 0.134 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -72.6 | 172.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H307 E308 E314 S315 | H307-G312 PolarHBondContact O-N 2.75Å; E308-G312 VanDerWaalsContact CD-CA 3.41Å; E308-G312 VanDerWaalsContact O-CA 3.3Å; E308-G312 WeakPolarHBondContact O-CA 3.48Å; E308-G312 PolarHBondContact O-N 3.4Å; E308-G312 WeakPolarHBondContact OE1-CA 3.25Å; E308-G312 WeakPolarHBondContact OE2-CA 3.44Å; G312-E314 VanDerWaalsContact C-N 3.32Å; G312-E314 PolarHBondContact O-N 3.25Å; G312-S315 VanDerWaalsContact O-CB 3.28Å; G312-S315 WeakPolarHBondContact O-CB 3.2Å; G312-S315 PolarHBondContact O-N 3.08Å; G312-S315 VanDerWaalsContact O-N 3.15Å |
| 313 | E | 90.8 | Very high | 95.9 | Very high | 197 Ų | 197 | 66.1 Ų | 66.1 | 92% | 0.921 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -32.1 | -175.4 | -61.4 | -169.2 | 163 | 0 | 0 | 112.1 | E308 S315 | E308-E313 PolarHBondContact OE1-N 3.18Å; E313-S315 VanDerWaalsContact C-N 3.32Å |
| 314 | E | 91.9 | Very high | 96 | Very high | 174 Ų | 174 | 57.5 Ų | 57.5 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 6.2 | 175.1 | -63.7 | -64.9 | 157.2 | 0 | 0 | 113.3 | G312 R316 | G312-E314 VanDerWaalsContact C-N 3.32Å; G312-E314 PolarHBondContact O-N 3.25Å; E314-R316 PolarHBondContact O-N 3.42Å |
| 315 | S | 94.9 | Very high | 96 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | trans | -71.5 | 120.4 | -174.2 | -175.9 | 0 | 0 | 0 | 0 | 113 | S309 L310 G312 E313 L317 | S309-S315 WeakPolarHBondContact O-CB 3.39Å; S309-S315 PolarHBondContact O-OG 3.47Å; L310-S315 WeakPolarHBondContact CA-OG 3.3Å; L310-S315 PolarHBondContact O-OG 3.35Å; G312-S315 VanDerWaalsContact O-CB 3.28Å; G312-S315 WeakPolarHBondContact O-CB 3.2Å; G312-S315 PolarHBondContact O-N 3.08Å; G312-S315 VanDerWaalsContact O-N 3.15Å; E313-S315 VanDerWaalsContact C-N 3.32Å; S315-L317 PolarHBondContact O-N 3Å; S315-L317 PolarHBondContact OG-N 3.07Å | ||
| 316 | R | 96.2 | Very high | 95.7 | Very high | 155 Ų | 155 | 59 Ų | 59 | 59% | 0.585 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 19.4 | 175.2 | -60.9 | -167.5 | 63.2 | -167.3 | -0.7 | 114.2 | L263 E314 A318 D319 R320 | L263-R316 HydrophobicContact CD1-CB 4.04Å; E314-R316 PolarHBondContact O-N 3.42Å; R316-A318 VanDerWaalsContact C-N 3.26Å; R316-A318 PolarHBondContact O-N 2.96Å; R316-D319 IonicContact CZ-OD2 3.18Å; R316-D319 IonicContact NE-OD2 2.82Å; R316-D319 PolarHBondContact NE-OD2 3.34Å; R316-D319 IonicContact NH2-OD2 2.69Å; R316-D319 PolarHBondContact NH2-OD2 3.31Å; R316-D319 PolarHBondContact O-N 2.93Å; R316-R320 PolarHBondContact O-N 3.16Å |
| 317 | L | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.1 | -39.4 | 178 | 179.4 | 62 | 0 | 0 | 0 | 112 | L263 F266 L310 F311 S315 D319 R320 L321 L343 | L263-L317 HydrophobicContact CD2-CB 4.3Å; L263-L317 HydrophobicContact CD2-CD1 4.28Å; F266-L317 HydrophobicContact CD1-CD1 3.83Å; F266-L317 HydrophobicContact CD2-CD1 4.39Å; F266-L317 HydrophobicContact CE1-CD1 3.67Å; F266-L317 HydrophobicContact CE2-CD1 4.27Å; F266-L317 HydrophobicContact CG-CD1 4.19Å; F266-L317 HydrophobicContact CZ-CD1 3.91Å; L310-L317 HydrophobicContact CB-CD2 4.31Å; L310-L317 HydrophobicContact CD2-CD1 4Å; L310-L317 HydrophobicContact CD2-CD2 4.08Å; L310-L317 WeakPolarHBondContact O-CD2 3.36Å; F311-L317 HydrophobicContact CD1-CD2 4.42Å; F311-L317 HydrophobicContact CE1-CD2 4.23Å; S315-L317 PolarHBondContact O-N 3Å; S315-L317 PolarHBondContact OG-N 3.07Å; L317-D319 PolarHBondContact O-N 3.16Å; L317-R320 PolarHBondContact O-N 3.39Å; L317-R320 VanDerWaalsContact O-N 3.16Å; L317-L321 HydrophobicContact CD1-CD1 4.28Å; L317-L321 HydrophobicContact CD1-CD2 4.43Å; L317-L321 HydrophobicContact CD1-CG 4.06Å; L317-L321 HydrophobicContact CD2-CD1 4.34Å; L317-L321 HydrophobicContact CG-CD1 3.87Å; L317-L321 HydrophobicContact CG-CG 4.14Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 3.36Å; L317-L343 HydrophobicContact CD2-CD1 4.2Å |
| 318 | A | 94.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R316 R320 L321 L322 | R316-A318 VanDerWaalsContact C-N 3.26Å; R316-A318 PolarHBondContact O-N 2.96Å; A318-R320 VanDerWaalsContact C-N 3.3Å; A318-R320 PolarHBondContact O-N 3.42Å; A318-L321 PolarHBondContact O-N 3.03Å; A318-L322 WeakPolarHBondContact O-CG 3.44Å; A318-L322 PolarHBondContact O-N 3.06Å |
| 319 | D | 95.3 | Very high | 95.5 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 175.6 | -67.9 | -13.7 | 0 | 0 | 0 | 111.6 | R316 L317 A323 | R316-D319 IonicContact CZ-OD2 3.18Å; R316-D319 IonicContact NE-OD2 2.82Å; R316-D319 PolarHBondContact NE-OD2 3.34Å; R316-D319 IonicContact NH2-OD2 2.69Å; R316-D319 PolarHBondContact NH2-OD2 3.31Å; R316-D319 PolarHBondContact O-N 2.93Å; L317-D319 PolarHBondContact O-N 3.16Å; D319-A323 PolarHBondContact O-N 3.15Å; D319-A323 VanDerWaalsContact O-N 3.15Å |
| 320 | R | 97 | Very high | 95.4 | Very high | 72 Ų | 72 | 68.3 Ų | 68.3 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 179.9 | -60.1 | -58.5 | -165.1 | -166.3 | 3.5 | 111.3 | L263 N264 F266 R316 L317 A318 L322 A323 L324 | L263-R320 PolarHBondContact O-NE 3.27Å; N264-R320 PolarHBondContact OD1-NH2 3.25Å; F266-R320 HydrophobicContact CB-CB 3.67Å; F266-R320 HydrophobicContact CB-CG 4.09Å; R316-R320 PolarHBondContact O-N 3.16Å; L317-R320 PolarHBondContact O-N 3.39Å; L317-R320 VanDerWaalsContact O-N 3.16Å; A318-R320 VanDerWaalsContact C-N 3.3Å; A318-R320 PolarHBondContact O-N 3.42Å; R320-L322 PolarHBondContact O-N 2.93Å; R320-A323 PolarHBondContact O-N 3.44Å; R320-L324 WeakPolarHBondContact O-CG 3.37Å; R320-L324 PolarHBondContact O-N 2.91Å; R320-L324 VanDerWaalsContact O-N 3.16Å |
| 321 | L | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 178 | -68.2 | 174 | 0 | 0 | 0 | 111.8 | L279 L317 A318 A323 L324 V325 V339 I340 L343 | L279-L321 HydrophobicContact CD2-CD2 3.32Å; L317-L321 HydrophobicContact CD1-CD1 4.28Å; L317-L321 HydrophobicContact CD1-CD2 4.43Å; L317-L321 HydrophobicContact CD1-CG 4.06Å; L317-L321 HydrophobicContact CD2-CD1 4.34Å; L317-L321 HydrophobicContact CG-CD1 3.87Å; L317-L321 HydrophobicContact CG-CG 4.14Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 3.36Å; A318-L321 PolarHBondContact O-N 3.03Å; L321-A323 VanDerWaalsContact C-N 3.32Å; L321-A323 PolarHBondContact O-N 3.19Å; L321-L324 PolarHBondContact O-N 3.1Å; L321-V325 PolarHBondContact O-N 2.66Å; L321-V339 HydrophobicContact CD1-CB 4.08Å; L321-V339 HydrophobicContact CD1-CG1 3.62Å; L321-V339 HydrophobicContact CD2-CB 3.96Å; L321-V339 HydrophobicContact CD2-CG1 4.01Å; L321-V339 HydrophobicContact CD2-CG2 4.48Å; L321-V339 HydrophobicContact CG-CG1 4.48Å; L321-I340 HydrophobicContact CB-CD1 4.04Å; L321-I340 HydrophobicContact CB-CG1 3.78Å; L321-I340 HydrophobicContact CD1-CG1 4.02Å; L321-I340 HydrophobicContact CG-CG1 4.47Å; L321-L343 HydrophobicContact CD1-CD1 3.56Å |
| 322 | L | 95.4 | Very high | 95.5 | Very high | 112 Ų | 112 | 72 Ų | 72 | 59% | 0.586 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.8 | -38 | 176.4 | -71.8 | 171.4 | 0 | 0 | 0 | 112.4 | A318 R320 L324 V325 I340 | A318-L322 WeakPolarHBondContact O-CG 3.44Å; A318-L322 PolarHBondContact O-N 3.06Å; R320-L322 PolarHBondContact O-N 2.93Å; L322-L324 VanDerWaalsContact C-N 3.26Å; L322-L324 PolarHBondContact O-N 3.28Å; L322-V325 PolarHBondContact O-N 2.79Å; L322-I340 HydrophobicContact CD2-CD1 4.35Å |
| 323 | A | 96.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 73.1 Ų | 73.1 | 31% | 0.314 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -26 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P268 D319 R320 L321 I326 | P268-A323 HydrophobicContact CG-CB 3.89Å; D319-A323 PolarHBondContact O-N 3.15Å; D319-A323 VanDerWaalsContact O-N 3.15Å; R320-A323 PolarHBondContact O-N 3.44Å; L321-A323 VanDerWaalsContact C-N 3.32Å; L321-A323 PolarHBondContact O-N 3.19Å; A323-I326 WeakPolarHBondContact O-CG1 3.48Å |
| 324 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -84.9 | -15.2 | 178.9 | -67.9 | 168.4 | 0 | 0 | 0 | 113.9 | F266 P268 L275 L279 R320 L321 L322 I326 H327 V332 A336 | F266-L324 HydrophobicContact CB-CD1 4.26Å; P268-L324 HydrophobicContact CB-CD2 4.21Å; P268-L324 HydrophobicContact CG-CD2 3.95Å; P268-L324 HydrophobicContact CG-CG 4.46Å; L275-L324 HydrophobicContact CD1-CD2 3.82Å; L275-L324 HydrophobicContact CD2-CD1 4.05Å; L275-L324 HydrophobicContact CD2-CD2 3.81Å; L275-L324 HydrophobicContact CG-CD2 4.4Å; L279-L324 HydrophobicContact CD1-CD1 4.27Å; L279-L324 HydrophobicContact CD2-CD1 4.02Å; L279-L324 HydrophobicContact CG-CD1 4.49Å; R320-L324 WeakPolarHBondContact O-CG 3.37Å; R320-L324 PolarHBondContact O-N 2.91Å; R320-L324 VanDerWaalsContact O-N 3.16Å; L321-L324 PolarHBondContact O-N 3.1Å; L322-L324 VanDerWaalsContact C-N 3.26Å; L322-L324 PolarHBondContact O-N 3.28Å; L324-I326 PolarHBondContact O-N 3.33Å; L324-H327 HydrophobicContact CD2-CB 4.46Å; L324-H327 WeakPolarHBondContact O-CB 3.19Å; L324-H327 PolarHBondContact O-N 3.45Å; L324-H327 VanDerWaalsContact O-N 3.08Å; L324-V332 HydrophobicContact CD2-CG1 4.23Å; L324-A336 HydrophobicContact CB-CB 3.91Å |
| 325 | V | 94.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.7 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | L30 L321 L322 Q333 I340 | L30-V325 HydrophobicContact CD1-CG1 4.47Å; L321-V325 PolarHBondContact O-N 2.66Å; L322-V325 PolarHBondContact O-N 2.79Å; V325-Q333 WeakPolarHBondContact O-CG 3.3Å; V325-I340 HydrophobicContact CG2-CD1 3.83Å |
| 326 | I | 93.1 | Very high | 96.5 | Very high | 133 Ų | 133 | 55 Ų | 55 | 68% | 0.682 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 14.3 | 176.6 | 62.8 | 170.2 | 0 | 0 | 0 | 113.8 | A323 L324 | A323-I326 WeakPolarHBondContact O-CG1 3.48Å; L324-I326 PolarHBondContact O-N 3.33Å |
| 327 | H | 96.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | trans | -62.3 | 142.3 | 176.2 | -173.8 | -94.8 | 0 | 0 | 0 | 111.2 | L324 E329 V332 Q333 | L324-H327 HydrophobicContact CD2-CB 4.46Å; L324-H327 WeakPolarHBondContact O-CB 3.19Å; L324-H327 PolarHBondContact O-N 3.45Å; L324-H327 VanDerWaalsContact O-N 3.08Å; H327-E329 VanDerWaalsContact C-N 3.29Å; H327-E329 IonicContact CE1-OE1 3.82Å; H327-E329 PolarHBondContact ND1-N 3.13Å; H327-E329 PolarHBondContact O-N 2.96Å; H327-V332 HydrophobicContact CB-CB 4.33Å; H327-V332 HydrophobicContact CB-CG1 3.94Å; H327-V332 WeakPolarHBondContact ND1-CB 3.37Å; H327-Q333 VanDerWaalsContact O-CG 3.26Å; H327-Q333 WeakPolarHBondContact O-CG 3.33Å; H327-Q333 PolarHBondContact O-NE2 3.36Å | ||
| 328 | P | 95.5 | Very high | 96.4 | Very high | 117 Ų | 117 | 50.6 Ų | 50.6 | 76% | 0.76 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -62.9 | -27.4 | -175.2 | 22.6 | -35 | 0 | 0 | 0 | 115.2 | ||
| 329 | E | 97.1 | Very high | 96.5 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -87.4 | 122.2 | 178.6 | -63.1 | 172.1 | -127.8 | 0 | 0 | 111.8 | G272 H327 D331 V332 Q333 | G272-E329 WeakPolarHBondContact CA-OE1 3.28Å; H327-E329 VanDerWaalsContact C-N 3.29Å; H327-E329 IonicContact CE1-OE1 3.82Å; H327-E329 PolarHBondContact ND1-N 3.13Å; H327-E329 PolarHBondContact O-N 2.96Å; E329-D331 PolarHBondContact O-N 3.22Å; E329-V332 HydrophobicContact CB-CB 4.48Å; E329-V332 HydrophobicContact CB-CG2 4.07Å; E329-V332 WeakPolarHBondContact O-CB 3.49Å; E329-V332 PolarHBondContact O-N 2.98Å; E329-Q333 PolarHBondContact O-N 3.38Å |
| 330 | E | 96.8 | Very high | 96.4 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 43% | 0.425 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -38.8 | -173.6 | -158.6 | -165.9 | 179.7 | 0 | 0 | 113 | K33 V332 Q333 I334 | K33-E330 IonicContact NZ-OE1 2.66Å; K33-E330 PolarHBondContact NZ-OE1 3.02Å; K33-E330 IonicContact NZ-OE2 3.9Å; K33-E330 PolarHBondContact NZ-OE2 3.4Å; E330-V332 VanDerWaalsContact C-N 3.27Å; E330-V332 PolarHBondContact O-N 2.88Å; E330-Q333 WeakPolarHBondContact O-CB 3.42Å; E330-Q333 PolarHBondContact O-N 3.23Å; E330-Q333 VanDerWaalsContact O-N 3.15Å; E330-I334 HydrophobicContact CG-CD1 3.84Å; E330-I334 HydrophobicContact CG-CG1 4.34Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 3.47Å |
| 331 | D | 97.1 | Very high | 96.2 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 57% | 0.572 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64 | -32.5 | -180 | -70.1 | -48 | 0 | 0 | 0 | 112.4 | Y276 E329 Q335 | Y276-D331 HydrophobicContact CD2-CB 4.03Å; Y276-D331 HydrophobicContact CE2-CB 4.16Å; E329-D331 PolarHBondContact O-N 3.22Å; D331-Q335 VanDerWaalsContact O-CB 3.29Å; D331-Q335 WeakPolarHBondContact O-CB 3.18Å; D331-Q335 PolarHBondContact O-N 2.71Å |
| 332 | V | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.2 | -43.8 | 173.4 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | L275 L279 L324 H327 E329 E330 I334 Q335 A336 | L275-V332 HydrophobicContact CB-CG1 4.02Å; L275-V332 HydrophobicContact CB-CG2 4.28Å; L275-V332 HydrophobicContact CD1-CG1 4.34Å; L279-V332 HydrophobicContact CD1-CG1 3.85Å; L324-V332 HydrophobicContact CD2-CG1 4.23Å; H327-V332 HydrophobicContact CB-CB 4.33Å; H327-V332 HydrophobicContact CB-CG1 3.94Å; H327-V332 WeakPolarHBondContact ND1-CB 3.37Å; E329-V332 HydrophobicContact CB-CB 4.48Å; E329-V332 HydrophobicContact CB-CG2 4.07Å; E329-V332 WeakPolarHBondContact O-CB 3.49Å; E329-V332 PolarHBondContact O-N 2.98Å; E330-V332 VanDerWaalsContact C-N 3.27Å; E330-V332 PolarHBondContact O-N 2.88Å; V332-I334 PolarHBondContact O-N 2.97Å; V332-Q335 PolarHBondContact O-N 3.49Å; V332-A336 VanDerWaalsContact O-CB 3.29Å; V332-A336 WeakPolarHBondContact O-CB 3.46Å; V332-A336 PolarHBondContact O-N 3.13Å |
| 333 | Q | 97.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 43 Ų | 43 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 175 | -57.6 | 175.6 | 5.7 | 0 | 0 | 111.2 | L30 V325 H327 E329 E330 A336 C337 | L30-Q333 HydrophobicContact CD1-CB 4.39Å; L30-Q333 HydrophobicContact CD2-CB 4.46Å; V325-Q333 WeakPolarHBondContact O-CG 3.3Å; H327-Q333 VanDerWaalsContact O-CG 3.26Å; H327-Q333 WeakPolarHBondContact O-CG 3.33Å; H327-Q333 PolarHBondContact O-NE2 3.36Å; E329-Q333 PolarHBondContact O-N 3.38Å; E330-Q333 WeakPolarHBondContact O-CB 3.42Å; E330-Q333 PolarHBondContact O-N 3.23Å; E330-Q333 VanDerWaalsContact O-N 3.15Å; Q333-A336 PolarHBondContact O-N 3.21Å; Q333-C337 PolarHBondContact O-N 2.89Å; Q333-C337 PolarHBondContact O-SG 2.92Å |
| 334 | I | 97.1 | Very high | 94.5 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.087 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | -178.6 | -69.7 | 164.9 | 0 | 0 | 0 | 110.2 | L30 K33 E330 V332 C337 K338 | L30-I334 HydrophobicContact CD2-CG1 4.27Å; K33-I334 HydrophobicContact CD-CD1 3.95Å; K33-I334 HydrophobicContact CD-CG1 4.4Å; E330-I334 HydrophobicContact CG-CD1 3.84Å; E330-I334 HydrophobicContact CG-CG1 4.34Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 3.47Å; V332-I334 PolarHBondContact O-N 2.97Å; I334-C337 WeakPolarHBondContact O-CB 3.26Å; I334-C337 PolarHBondContact O-N 3.35Å; I334-K338 WeakPolarHBondContact O-CG 3.42Å; I334-K338 PolarHBondContact O-N 3.39Å; I334-K338 VanDerWaalsContact O-N 3.09Å |
| 335 | Q | 98.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 179.9 | -167.7 | 63.6 | 27.1 | 0 | 0 | 111.4 | Y276 L279 V280 E283 D331 V332 C337 K338 V339 | Y276-Q335 HydrophobicContact CD2-CB 3.99Å; Y276-Q335 HydrophobicContact CD2-CG 4.35Å; Y276-Q335 HydrophobicContact CE2-CB 4.04Å; Y276-Q335 HydrophobicContact CE2-CG 4.31Å; L279-Q335 HydrophobicContact CB-CB 4.17Å; L279-Q335 HydrophobicContact CB-CG 3.5Å; L279-Q335 HydrophobicContact CD1-CB 4.34Å; V280-Q335 HydrophobicContact CG2-CG 4.03Å; E283-Q335 PolarHBondContact OE1-NE2 2.86Å; E283-Q335 PolarHBondContact OE2-NE2 3.4Å; D331-Q335 VanDerWaalsContact O-CB 3.29Å; D331-Q335 WeakPolarHBondContact O-CB 3.18Å; D331-Q335 PolarHBondContact O-N 2.71Å; V332-Q335 PolarHBondContact O-N 3.49Å; Q335-C337 VanDerWaalsContact C-N 3.33Å; Q335-C337 PolarHBondContact O-N 2.87Å; Q335-K338 WeakPolarHBondContact O-CB 3.37Å; Q335-K338 PolarHBondContact O-N 3.38Å; Q335-K338 VanDerWaalsContact O-N 3.11Å; Q335-V339 WeakPolarHBondContact O-CG2 3.48Å; Q335-V339 PolarHBondContact O-N 3.45Å; Q335-V339 VanDerWaalsContact O-N 3.11Å |
| 336 | A | 97.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L279 L324 V332 Q333 K338 V339 I340 | L279-A336 HydrophobicContact CD1-CB 4.05Å; L279-A336 HydrophobicContact CD2-CB 4.28Å; L324-A336 HydrophobicContact CB-CB 3.91Å; V332-A336 VanDerWaalsContact O-CB 3.29Å; V332-A336 WeakPolarHBondContact O-CB 3.46Å; V332-A336 PolarHBondContact O-N 3.13Å; Q333-A336 PolarHBondContact O-N 3.21Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.3Å; A336-V339 PolarHBondContact O-N 3.15Å; A336-I340 WeakPolarHBondContact O-CG1 3.26Å; A336-I340 PolarHBondContact O-N 3.23Å |
| 337 | C | 95.9 | Very high | 88.5 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 174.3 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | A34 Q333 I334 Q335 V341 | A34-C337 HydrophobicContact CB-CB 4.02Å; Q333-C337 PolarHBondContact O-N 2.89Å; Q333-C337 PolarHBondContact O-SG 2.92Å; I334-C337 WeakPolarHBondContact O-CB 3.26Å; I334-C337 PolarHBondContact O-N 3.35Å; Q335-C337 VanDerWaalsContact C-N 3.33Å; Q335-C337 PolarHBondContact O-N 2.87Å; C337-V341 WeakPolarHBondContact O-CG2 3.39Å; C337-V341 PolarHBondContact O-N 3.28Å; C337-V341 VanDerWaalsContact O-N 3.14Å |
| 338 | K | 95 | Very high | 86 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.6 | -63 | -179 | -158.4 | 162.9 | 0 | 112.1 | A34 E283 I334 Q335 A336 I340 V341 S342 | A34-K338 HydrophobicContact CB-CG 4.42Å; E283-K338 WeakPolarHBondContact OE1-CB 3.3Å; E283-K338 WeakPolarHBondContact OE1-CD 3.37Å; I334-K338 WeakPolarHBondContact O-CG 3.42Å; I334-K338 PolarHBondContact O-N 3.39Å; I334-K338 VanDerWaalsContact O-N 3.09Å; Q335-K338 WeakPolarHBondContact O-CB 3.37Å; Q335-K338 PolarHBondContact O-N 3.38Å; Q335-K338 VanDerWaalsContact O-N 3.11Å; A336-K338 VanDerWaalsContact C-N 3.31Å; A336-K338 PolarHBondContact O-N 3.3Å; K338-I340 VanDerWaalsContact C-N 3.31Å; K338-I340 PolarHBondContact O-N 3.31Å; K338-V341 CarbonylContact O-C 3.58Å; K338-V341 PolarHBondContact O-N 2.83Å; K338-V341 VanDerWaalsContact O-N 3.09Å; K338-S342 PolarHBondContact O-N 3.27Å |
| 339 | V | 96.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 178.5 | -174 | 0 | 0 | 0 | 0 | 110.9 | L279 A282 E283 L321 Q335 A336 V341 S342 L343 | L279-V339 HydrophobicContact CB-CG2 4.28Å; L279-V339 HydrophobicContact CD2-CG2 4.28Å; L279-V339 WeakPolarHBondContact O-CG2 3.45Å; A282-V339 HydrophobicContact CB-CG1 3.91Å; A282-V339 HydrophobicContact CB-CG2 4.23Å; E283-V339 HydrophobicContact CB-CG2 4.14Å; L321-V339 HydrophobicContact CD1-CB 4.08Å; L321-V339 HydrophobicContact CD1-CG1 3.62Å; L321-V339 HydrophobicContact CD2-CB 3.96Å; L321-V339 HydrophobicContact CD2-CG1 4.01Å; L321-V339 HydrophobicContact CD2-CG2 4.48Å; L321-V339 HydrophobicContact CG-CG1 4.48Å; Q335-V339 WeakPolarHBondContact O-CG2 3.48Å; Q335-V339 PolarHBondContact O-N 3.45Å; Q335-V339 VanDerWaalsContact O-N 3.11Å; A336-V339 PolarHBondContact O-N 3.15Å; V339-V341 VanDerWaalsContact C-N 3.3Å; V339-V341 PolarHBondContact O-N 3.28Å; V339-S342 PolarHBondContact O-N 3.35Å; V339-S342 PolarHBondContact O-OG 2.99Å; V339-S342 VanDerWaalsContact O-OG 3.1Å; V339-L343 HydrophobicContact CG1-CD1 4.21Å; V339-L343 HydrophobicContact CG1-CG 4.42Å; V339-L343 WeakPolarHBondContact O-CB 3.31Å; V339-L343 VanDerWaalsContact O-CG 3.26Å; V339-L343 WeakPolarHBondContact O-CG 3.35Å; V339-L343 PolarHBondContact O-N 3.48Å |
| 340 | I | 94.9 | Very high | 80.5 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 174 | -65.6 | 169.2 | 0 | 0 | 0 | 110.7 | L321 L322 V325 A336 K338 Q344 | L321-I340 HydrophobicContact CB-CD1 4.04Å; L321-I340 HydrophobicContact CB-CG1 3.78Å; L321-I340 HydrophobicContact CD1-CG1 4.02Å; L321-I340 HydrophobicContact CG-CG1 4.47Å; L322-I340 HydrophobicContact CD2-CD1 4.35Å; V325-I340 HydrophobicContact CG2-CD1 3.83Å; A336-I340 WeakPolarHBondContact O-CG1 3.26Å; A336-I340 PolarHBondContact O-N 3.23Å; K338-I340 VanDerWaalsContact C-N 3.31Å; K338-I340 PolarHBondContact O-N 3.31Å; I340-Q344 WeakPolarHBondContact O-CB 3.44Å; I340-Q344 VanDerWaalsContact O-CG 3.26Å; I340-Q344 WeakPolarHBondContact O-CG 3.3Å; I340-Q344 PolarHBondContact O-N 3.49Å |
| 341 | V | 91.3 | Very high | 77.6 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | L31 C337 K338 V339 Q344 | L31-V341 HydrophobicContact CD1-CG2 3.84Å; C337-V341 WeakPolarHBondContact O-CG2 3.39Å; C337-V341 PolarHBondContact O-N 3.28Å; C337-V341 VanDerWaalsContact O-N 3.14Å; K338-V341 CarbonylContact O-C 3.58Å; K338-V341 PolarHBondContact O-N 2.83Å; K338-V341 VanDerWaalsContact O-N 3.09Å; V339-V341 VanDerWaalsContact C-N 3.3Å; V339-V341 PolarHBondContact O-N 3.28Å; V341-Q344 PolarHBondContact O-N 3.36Å |
| 342 | S | 89.4 | Confident | 74.5 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.6 | -33.8 | 178.6 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | S286 N290 K338 V339 Q344 | S286-S342 VanDerWaalsContact CB-OG 3.27Å; S286-S342 WeakPolarHBondContact CB-OG 3.13Å; S286-S342 VanDerWaalsContact OG-C 3.23Å; S286-S342 WeakPolarHBondContact OG-CB 3.13Å; S286-S342 PolarHBondContact OG-O 2.82Å; S286-S342 PolarHBondContact OG-OG 2.93Å; N290-S342 PolarHBondContact ND2-O 3.45Å; K338-S342 PolarHBondContact O-N 3.27Å; V339-S342 PolarHBondContact O-N 3.35Å; V339-S342 PolarHBondContact O-OG 2.99Å; V339-S342 VanDerWaalsContact O-OG 3.1Å; S342-Q344 VanDerWaalsContact C-N 3.33Å |
| 343 | L | 87.4 | Confident | 71.4 | Confident | 62 Ų | 62 | 79 Ų | 79 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 169.2 | -71.5 | 170.5 | 0 | 0 | 0 | 111.7 | F311 L317 L321 V339 Y345 | F311-L343 HydrophobicContact CD1-CD2 3.66Å; F311-L343 HydrophobicContact CE1-CD2 3.7Å; L317-L343 HydrophobicContact CD2-CD1 4.2Å; L321-L343 HydrophobicContact CD1-CD1 3.56Å; V339-L343 HydrophobicContact CG1-CD1 4.21Å; V339-L343 HydrophobicContact CG1-CG 4.42Å; V339-L343 WeakPolarHBondContact O-CB 3.31Å; V339-L343 VanDerWaalsContact O-CG 3.26Å; V339-L343 WeakPolarHBondContact O-CG 3.35Å; V339-L343 PolarHBondContact O-N 3.48Å; L343-Y345 PolarHBondContact O-N 3.02Å |
| 344 | Q | 77.1 | Confident | 68.6 | Low | 138 Ų | 138 | 82.2 Ų | 82.2 | 65% | 0.645 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 23.9 | -178.2 | -72.2 | 176.8 | 2.7 | 0 | 0 | 114.9 | I340 V341 S342 P346 | I340-Q344 WeakPolarHBondContact O-CB 3.44Å; I340-Q344 VanDerWaalsContact O-CG 3.26Å; I340-Q344 WeakPolarHBondContact O-CG 3.3Å; I340-Q344 PolarHBondContact O-N 3.49Å; V341-Q344 PolarHBondContact O-N 3.36Å; S342-Q344 VanDerWaalsContact C-N 3.33Å; Q344-P346 VanDerWaalsContact O-CD 3.25Å; Q344-P346 WeakPolarHBondContact O-CD 3.22Å |
| 345 | Y | 60.1 | Low | 65.9 | Low | 136 Ų | 136 | 86.7 Ų | 86.7 | 53% | 0.533 | 45% | 0.447 | S | S | . | . | trans | -110.5 | 52.6 | -179.8 | -134.2 | -100.7 | 0 | 0 | 0 | 116.9 | R295 L343 Q347 | R295-Y345 PolarHBondContact NH2-O 2.91Å; L343-Y345 PolarHBondContact O-N 3.02Å; Y345-Q347 HydrophobicContact CE1-CG 4.37Å | ||
| 346 | P | 49.2 | Very low | 62.8 | Low | 81 Ų | 81 | 91.9 Ų | 91.9 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | trans | -59.7 | 136.5 | 154 | -12.3 | 26.7 | 0 | 0 | 0 | 109.6 | Q344 D348 | Q344-P346 VanDerWaalsContact O-CD 3.25Å; Q344-P346 WeakPolarHBondContact O-CD 3.22Å; P346-D348 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 347 | Q | 49.5 | Very low | 59.9 | Low | 99 Ų | 99 | 100.1 Ų | 100.1 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | trans | -100 | 17.3 | -176 | -130 | -178.8 | 25.7 | 0 | 0 | 114.1 | Y345 L349 R350 | Y345-Q347 HydrophobicContact CE1-CG 4.37Å; Q347-L349 PolarHBondContact O-N 3.42Å; Q347-L349 VanDerWaalsContact O-N 3.08Å; Q347-R350 PolarHBondContact O-N 3.26Å | ||
| 348 | D | 43.5 | Very low | 57 | Low | 118 Ų | 118 | 105.4 Ų | 105.4 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -64.1 | -12.4 | 179.7 | -53.8 | -68.7 | 0 | 0 | 0 | 113.6 | P346 R350 S351 | P346-D348 WeakPolarHBondContact CB-OD2 3.47Å; D348-R350 PolarHBondContact O-N 2.93Å; D348-R350 VanDerWaalsContact O-N 3.15Å; D348-S351 PolarHBondContact O-N 2.69Å; D348-S351 PolarHBondContact O-OG 2.82Å |
| 349 | L | 41.5 | Very low | 54.1 | Low | 173 Ų | 173 | 108.2 Ų | 108.2 | 91% | 0.906 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -65.5 | -7.7 | 167.4 | -74.7 | 169.3 | 0 | 0 | 0 | 113.9 | Q347 | Q347-L349 PolarHBondContact O-N 3.42Å; Q347-L349 VanDerWaalsContact O-N 3.08Å |
| 350 | R | 36.8 | Very low | 51.2 | Low | 217 Ų | 217 | 119 Ų | 119 | 82% | 0.819 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -94.5 | -13.7 | 173.4 | -135.8 | 179.1 | -161.4 | -176.9 | 5.1 | 114.3 | Q347 D348 | Q347-R350 PolarHBondContact O-N 3.26Å; D348-R350 PolarHBondContact O-N 2.93Å; D348-R350 VanDerWaalsContact O-N 3.15Å |
| 351 | S | 35.5 | Very low | 48.6 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 57% | 0.566 | 65% | 0.647 | S | S | * | * | trans | -99.1 | 32.3 | -178.1 | 44.2 | 0 | 0 | 0 | 0 | 113.2 | D348 P353 | D348-S351 PolarHBondContact O-N 2.69Å; D348-S351 PolarHBondContact O-OG 2.82Å; S351-P353 WeakPolarHBondContact O-CD 3.46Å | ||
| 352 | R | 31.8 | Very low | 46.1 | Very low | 224 Ų | 224 | 129.3 Ų | 129.3 | 85% | 0.845 | 67% | 0.67 | S | S | * | * | trans | -72.4 | 110.8 | 166.6 | -170.1 | 179.6 | -168.4 | -177.7 | 5 | 108.9 | S354 | R352-S354 PolarHBondContact O-N 3.29Š| ||
| 353 | P | 34.2 | Very low | 43.7 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -65.3 | 121 | 177.8 | 27.2 | -33.7 | 0 | 0 | 0 | 109.4 | S351 S355 | S351-P353 WeakPolarHBondContact O-CD 3.46Å; P353-S355 VanDerWaalsContact C-N 3.29Å; P353-S355 PolarHBondContact O-N 3.08Å | ||
| 354 | S | 38.2 | Very low | 41.2 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -74 | 84 | 173 | 44.8 | 0 | 0 | 0 | 0 | 109.6 | R352 C356 | R352-S354 PolarHBondContact O-N 3.29Å; S354-C356 PolarHBondContact O-N 3.38Å | ||
| 355 | S | 41.1 | Very low | 39.2 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -70.9 | 47.4 | 174.8 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | P353 Q357 | P353-S355 VanDerWaalsContact C-N 3.29Å; P353-S355 PolarHBondContact O-N 3.08Å; S355-Q357 VanDerWaalsContact C-N 3.34Å; S355-Q357 PolarHBondContact O-N 3.28Å | ||
| 356 | C | 32.2 | Very low | 38 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | -69.9 | 90.7 | 168.1 | -64.7 | 0 | 0 | 0 | 0 | 108.5 | S354 P358 | S354-C356 PolarHBondContact O-N 3.38Å; C356-P358 WeakPolarHBondContact O-CD 3.34Å | ||
| 357 | Q | 36.8 | Very low | 37.3 | Very low | 173 Ų | 173 | 153.4 Ų | 153.4 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -57.9 | 126.4 | 175 | -68.5 | 179.3 | -29.2 | 0 | 0 | 110.5 | S355 S359 | S355-Q357 VanDerWaalsContact C-N 3.34Å; S355-Q357 PolarHBondContact O-N 3.28Å; Q357-S359 PolarHBondContact O-N 2.79Å | ||
| 358 | P | 35.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -70.1 | 113.5 | 163.5 | -13.9 | 29.6 | 0 | 0 | 0 | 108.5 | C356 R360 | C356-P358 WeakPolarHBondContact O-CD 3.34Å; P358-R360 PolarHBondContact O-N 3.21Å | ||
| 359 | S | 34.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -62.5 | 110 | 178 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | Q357 S361 | Q357-S359 PolarHBondContact O-N 2.79Å; S359-S361 VanDerWaalsContact C-N 3.34Å; S359-S361 PolarHBondContact O-N 3.47Å | ||
| 360 | R | 35.3 | Very low | 36.1 | Very low | 226 Ų | 226 | 157.3 Ų | 157.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 86.6 | 171.9 | -89.7 | -171.4 | 169.3 | -169.6 | -2.7 | 110.5 | P358 Y362 | P358-R360 PolarHBondContact O-N 3.21Å; R360-Y362 HydrophobicContact CB-CD2 4.37Å; R360-Y362 HydrophobicContact CG-CE2 4.45Å; R360-Y362 PolarHBondContact O-N 3.44Å | ||
| 361 | S | 40.7 | Very low | 36 | Very low | 100 Ų | 100 | 153.8 Ų | 153.8 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -73.6 | 102.2 | 159.7 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | S359 | S359-S361 VanDerWaalsContact C-N 3.34Å; S359-S361 PolarHBondContact O-N 3.47Å | ||
| 362 | Y | 39.1 | Very low | 36.1 | Very low | 198 Ų | 198 | 158.3 Ų | 158.3 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -111 | 121.9 | 162.1 | -88.5 | -91.4 | 0 | 0 | 0 | 108.9 | R360 | R360-Y362 HydrophobicContact CB-CD2 4.37Å; R360-Y362 HydrophobicContact CG-CE2 4.45Å; R360-Y362 PolarHBondContact O-N 3.44Å | ||
| 363 | F | 37.8 | Very low | 36.3 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 82% | 0.816 | 82% | 0.818 | S | S | * | * | trans | -65.5 | 146.1 | 176.2 | -88.2 | -110.9 | 0 | 0 | 0 | 110.4 | N365 | F363-N365 PolarHBondContact O-N 2.97Š| ||
| 364 | K | 36.5 | Very low | 36.5 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -64.5 | 125.7 | 153.2 | -75.3 | -179.1 | 172.3 | -176.9 | 0 | 107.7 | ||||
| 365 | N | 34.4 | Very low | 36.4 | Very low | 160 Ų | 160 | 161.2 Ų | 161.2 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | -115.2 | 141.8 | 146.1 | -85.7 | -8.1 | 0 | 0 | 0 | 107.5 | F363 | F363-N365 PolarHBondContact O-N 2.97Š| ||
| 366 | T | 35.1 | Very low | 36 | Very low | 131 Ų | 131 | 165.3 Ų | 165.3 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -97.1 | 134.8 | 179.9 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 367 | E | 34.3 | Very low | 36.3 | Very low | 271 Ų | 271 | 170.4 Ų | 170.4 | 100% | 1.266 | 85% | 0.846 | S | S | * | * | trans | -154.3 | 0 | 130.8 | -106.5 | 169.9 | 174.2 | 0 | 0 | 108.2 |
Retrieved 367 of 367 residues in 231.6 ms
(Link to these results)