| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.5 | Very low | 48.9 | Very low | 241 Ų | 241 | 143.5 Ų | 143.5 | 100% | 1.187 | 81% | 0.81 | S | S | * | * | 0 | 98.9 | 0 | -74.4 | 178.2 | 172.2 | 0 | 0 | 106.5 | |||||
| 2 | G | 40 | Very low | 48.8 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -83.3 | 125.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | V | 49.2 | Very low | 49.1 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -106.2 | 110.4 | 168.1 | -178 | 0 | 0 | 0 | 0 | 105.4 | Y5 | V3-Y5 PolarHBondContact O-N 3.37Š| ||
| 4 | D | 48 | Very low | 49.6 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -59.9 | 124.3 | 176.4 | -79.7 | -41.2 | 0 | 0 | 0 | 110.3 | ||||
| 5 | Y | 49.5 | Very low | 50.4 | Low | 221 Ų | 221 | 132.5 Ų | 132.5 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -97.4 | 96.1 | 168.4 | -135.3 | -90.3 | 0 | 0 | 0 | 106.8 | V3 P7 | V3-Y5 PolarHBondContact O-N 3.37Å; Y5-P7 VanDerWaalsContact O-CD 3.32Å; Y5-P7 WeakPolarHBondContact O-CD 3.26Å | ||
| 6 | S | 55.6 | Low | 51.5 | Low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -80.1 | 113.3 | 166.2 | -71 | 0 | 0 | 0 | 0 | 108.3 | T8 | S6-T8 PolarHBondContact O-N 2.85Š| ||
| 7 | P | 50 | Low | 52.7 | Low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | trans | -70.8 | 122.4 | 170.5 | 29 | -27.9 | 0 | 0 | 0 | 107.5 | Y5 G9 | Y5-P7 VanDerWaalsContact O-CD 3.32Å; Y5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-G9 VanDerWaalsContact C-N 3.33Å; P7-G9 PolarHBondContact O-N 3.01Å | ||
| 8 | T | 48.1 | Very low | 54 | Low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -60.7 | 90.4 | 173.8 | 29.7 | 0 | 0 | 0 | 0 | 110.3 | S6 | S6-T8 PolarHBondContact O-N 2.85Š| ||
| 9 | G | 48.1 | Very low | 55.3 | Low | 54 Ų | 54 | 129.9 Ų | 129.9 | 56% | 0.557 | 71% | 0.713 | S | S | * | * | trans | -78.2 | -14.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P7 K11 | P7-G9 VanDerWaalsContact C-N 3.33Å; P7-G9 PolarHBondContact O-N 3.01Å; G9-K11 PolarHBondContact O-N 3.04Å | ||
| 10 | E | 54.2 | Low | 56.6 | Low | 177 Ų | 177 | 127.6 Ų | 127.6 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.1 | -13.6 | -171.7 | -79.2 | -179.6 | 154.2 | 0 | 0 | 115.5 | ||
| 11 | K | 51.3 | Low | 58 | Low | 163 Ų | 163 | 127.5 Ų | 127.5 | 71% | 0.709 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -91.3 | -20.1 | 178.3 | -75.4 | -169.3 | 174.8 | -172.5 | 0 | 114.5 | G9 T14 | G9-K11 PolarHBondContact O-N 3.04Å; K11-T14 PolarHBondContact O-OG1 2.94Å |
| 12 | G | 48 | Very low | 60 | Low | 42 Ų | 42 | 118.8 Ų | 118.8 | 43% | 0.433 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -86.7 | -19.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 13 | E | 52.6 | Low | 62.2 | Low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -85.6 | -38 | 177.7 | -72.9 | -173 | 159.1 | 0 | 0 | 111.9 | K16 E17 | E13-K16 PolarHBondContact O-N 3.06Å; E13-E17 PolarHBondContact O-N 3.02Å; E13-E17 VanDerWaalsContact O-N 3.1Å |
| 14 | T | 56.9 | Low | 64.1 | Low | 74 Ų | 74 | 121.2 Ų | 121.2 | 45% | 0.454 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68.9 | -39.9 | 179.7 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | K11 K16 E17 D18 | K11-T14 PolarHBondContact O-OG1 2.94Å; T14-K16 VanDerWaalsContact C-N 3.31Å; T14-K16 PolarHBondContact O-N 3.15Å; T14-E17 PolarHBondContact O-N 2.76Å; T14-D18 WeakPolarHBondContact O-CB 2.94Å; T14-D18 PolarHBondContact O-N 3.11Å |
| 15 | E | 60.7 | Low | 66.1 | Low | 137 Ų | 137 | 118.3 Ų | 118.3 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.9 | -32.4 | 176.3 | -75 | -178.7 | 175 | 0 | 0 | 112.8 | T19 | E15-T19 WeakPolarHBondContact O-CB 3.2Å; E15-T19 VanDerWaalsContact O-CG2 3.3Å; E15-T19 WeakPolarHBondContact O-CG2 3.48Å; E15-T19 PolarHBondContact O-N 3Å; E15-T19 VanDerWaalsContact O-N 3.08Å; E15-T19 PolarHBondContact O-OG1 2.77Å |
| 16 | K | 69.2 | Low | 68 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 66% | 0.661 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.8 | -37.7 | 174.2 | -80.1 | -174.2 | 177.5 | -179.8 | 0 | 111.9 | E13 T14 T19 T20 | E13-K16 PolarHBondContact O-N 3.06Å; T14-K16 VanDerWaalsContact C-N 3.31Å; T14-K16 PolarHBondContact O-N 3.15Å; K16-T19 WeakPolarHBondContact CA-OG1 3.38Å; K16-T19 PolarHBondContact O-OG1 2.97Å; K16-T19 VanDerWaalsContact O-OG1 3.05Å; K16-T20 VanDerWaalsContact O-CB 3.3Å; K16-T20 WeakPolarHBondContact O-CB 3.49Å; K16-T20 PolarHBondContact O-N 3.27Å; K16-T20 PolarHBondContact O-OG1 3.25Å |
| 17 | E | 71.8 | Confident | 69.7 | Low | 144 Ų | 144 | 112.8 Ų | 112.8 | 67% | 0.673 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70 | -42.3 | 179.1 | -152.8 | 167.5 | -159.2 | 0 | 0 | 111.1 | E13 T14 T20 K21 | E13-E17 PolarHBondContact O-N 3.02Å; E13-E17 VanDerWaalsContact O-N 3.1Å; T14-E17 PolarHBondContact O-N 2.76Å; E17-T20 PolarHBondContact O-N 3.39Å; E17-K21 WeakPolarHBondContact O-CB 3.36Å; E17-K21 PolarHBondContact O-N 3.3Å |
| 18 | D | 75.8 | Confident | 71.5 | Confident | 113 Ų | 113 | 110.6 Ų | 110.6 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 175.9 | -77 | -23.6 | 0 | 0 | 0 | 112.4 | T14 K21 A22 | T14-D18 WeakPolarHBondContact O-CB 2.94Å; T14-D18 PolarHBondContact O-N 3.11Å; D18-K21 PolarHBondContact O-N 3.25Å; D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 2.68Å |
| 19 | T | 78.4 | Confident | 73.5 | Confident | 73 Ų | 73 | 107 Ų | 107 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -42.4 | 175.2 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | E15 K16 K21 A22 Y23 | E15-T19 WeakPolarHBondContact O-CB 3.2Å; E15-T19 VanDerWaalsContact O-CG2 3.3Å; E15-T19 WeakPolarHBondContact O-CG2 3.48Å; E15-T19 PolarHBondContact O-N 3Å; E15-T19 VanDerWaalsContact O-N 3.08Å; E15-T19 PolarHBondContact O-OG1 2.77Å; K16-T19 WeakPolarHBondContact CA-OG1 3.38Å; K16-T19 PolarHBondContact O-OG1 2.97Å; K16-T19 VanDerWaalsContact O-OG1 3.05Å; T19-K21 VanDerWaalsContact C-N 3.33Å; T19-K21 PolarHBondContact O-N 3.18Å; T19-A22 PolarHBondContact O-N 3.33Å; T19-Y23 WeakPolarHBondContact O-CD2 3.18Å; T19-Y23 PolarHBondContact O-N 2.89Å |
| 20 | T | 81.7 | Confident | 75.5 | Confident | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -40.6 | 177.4 | -53 | 0 | 0 | 0 | 0 | 111.2 | K16 E17 Y23 L24 | K16-T20 VanDerWaalsContact O-CB 3.3Å; K16-T20 WeakPolarHBondContact O-CB 3.49Å; K16-T20 PolarHBondContact O-N 3.27Å; K16-T20 PolarHBondContact O-OG1 3.25Å; E17-T20 PolarHBondContact O-N 3.39Å; T20-Y23 PolarHBondContact O-N 2.79Å; T20-L24 HydrophobicContact CG2-CD1 4.25Å; T20-L24 PolarHBondContact O-N 3.19Å |
| 21 | K | 86.2 | Confident | 77.1 | Confident | 127 Ų | 127 | 106.1 Ų | 106.1 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 174.5 | -173.7 | -179 | 175.9 | -173.1 | 0 | 111.9 | E17 D18 T19 Y23 L24 D25 | E17-K21 WeakPolarHBondContact O-CB 3.36Å; E17-K21 PolarHBondContact O-N 3.3Å; D18-K21 PolarHBondContact O-N 3.25Å; T19-K21 VanDerWaalsContact C-N 3.33Å; T19-K21 PolarHBondContact O-N 3.18Å; K21-Y23 VanDerWaalsContact C-N 3.3Å; K21-Y23 PolarHBondContact O-N 2.65Å; K21-L24 PolarHBondContact O-N 2.87Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-D25 PolarHBondContact O-N 2.92Å |
| 22 | A | 83.9 | Confident | 78.9 | Confident | 58 Ų | 58 | 103.3 Ų | 103.3 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D18 T19 D25 L26 | D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 2.68Å; T19-A22 PolarHBondContact O-N 3.33Å; A22-D25 PolarHBondContact O-N 2.95Å; A22-L26 WeakPolarHBondContact O-CB 3.37Å; A22-L26 PolarHBondContact O-N 3.36Å |
| 23 | Y | 86.7 | Confident | 80.8 | Confident | 167 Ų | 167 | 105.9 Ų | 105.9 | 66% | 0.655 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 174.2 | -77.9 | -64.6 | 0 | 0 | 0 | 112.7 | T19 T20 K21 L26 E27 | T19-Y23 WeakPolarHBondContact O-CD2 3.18Å; T19-Y23 PolarHBondContact O-N 2.89Å; T20-Y23 PolarHBondContact O-N 2.79Å; K21-Y23 VanDerWaalsContact C-N 3.3Å; K21-Y23 PolarHBondContact O-N 2.65Å; Y23-L26 PolarHBondContact O-N 2.99Å; Y23-E27 WeakPolarHBondContact O-CB 3.44Å; Y23-E27 PolarHBondContact O-N 3.11Å |
| 24 | L | 89.3 | Confident | 82.3 | Confident | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.8 | -86.6 | 153.7 | 0 | 0 | 0 | 112.4 | T20 K21 L26 E27 T28 | T20-L24 HydrophobicContact CG2-CD1 4.25Å; T20-L24 PolarHBondContact O-N 3.19Å; K21-L24 PolarHBondContact O-N 2.87Å; K21-L24 VanDerWaalsContact O-N 3.16Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-E27 PolarHBondContact O-N 2.78Å; L24-T28 WeakPolarHBondContact O-CB 3.32Å; L24-T28 PolarHBondContact O-N 3.35Å; L24-T28 PolarHBondContact O-OG1 3.37Å |
| 25 | D | 89.7 | Confident | 83.8 | Confident | 95 Ų | 95 | 102.6 Ų | 102.6 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.3 | -71.8 | -17.8 | 0 | 0 | 0 | 110.3 | K21 A22 T28 S29 | K21-D25 PolarHBondContact O-N 2.92Å; A22-D25 PolarHBondContact O-N 2.95Å; D25-T28 PolarHBondContact O-N 3.37Å; D25-S29 WeakPolarHBondContact O-CB 3.47Å; D25-S29 PolarHBondContact O-N 3.35Å |
| 26 | L | 90.7 | Very high | 85.1 | Confident | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 174.3 | -174.5 | 67.9 | 0 | 0 | 0 | 111.9 | A22 Y23 L24 T28 S29 V30 | A22-L26 WeakPolarHBondContact O-CB 3.37Å; A22-L26 PolarHBondContact O-N 3.36Å; Y23-L26 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L26-T28 VanDerWaalsContact C-N 3.28Å; L26-T28 PolarHBondContact O-N 3.48Å; L26-S29 PolarHBondContact O-N 3.48Å; L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 2.98Å |
| 27 | E | 90.2 | Very high | 86.1 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 177 | -170.8 | -168.1 | 153.3 | 0 | 0 | 111.1 | Y23 L24 V30 R31 | Y23-E27 WeakPolarHBondContact O-CB 3.44Å; Y23-E27 PolarHBondContact O-N 3.11Å; L24-E27 PolarHBondContact O-N 2.78Å; E27-V30 PolarHBondContact O-N 2.91Å; E27-R31 WeakPolarHBondContact O-CB 3.11Å; E27-R31 PolarHBondContact O-N 2.87Å; E27-R31 IonicContact OE1-CZ 3.72Å; E27-R31 IonicContact OE1-NH2 2.69Å; E27-R31 PolarHBondContact OE1-NH2 3.4Å |
| 28 | T | 88.9 | Confident | 86.8 | Confident | 67 Ų | 67 | 95.4 Ų | 95.4 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 177.1 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | L24 D25 L26 V30 R31 D32 | L24-T28 WeakPolarHBondContact O-CB 3.32Å; L24-T28 PolarHBondContact O-N 3.35Å; L24-T28 PolarHBondContact O-OG1 3.37Å; D25-T28 PolarHBondContact O-N 3.37Å; L26-T28 VanDerWaalsContact C-N 3.28Å; L26-T28 PolarHBondContact O-N 3.48Å; T28-V30 VanDerWaalsContact C-N 3.35Å; T28-V30 PolarHBondContact O-N 3.36Å; T28-R31 WeakPolarHBondContact O-CB 3.44Å; T28-R31 PolarHBondContact O-N 2.9Å; T28-R31 VanDerWaalsContact O-N 3.16Å; T28-D32 PolarHBondContact O-N 2.97Å |
| 29 | S | 89.4 | Confident | 87.5 | Confident | 61 Ų | 61 | 95.9 Ų | 95.9 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.4 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | D25 L26 R31 D32 I33 | D25-S29 WeakPolarHBondContact O-CB 3.47Å; D25-S29 PolarHBondContact O-N 3.35Å; L26-S29 PolarHBondContact O-N 3.48Å; S29-R31 VanDerWaalsContact C-N 3.34Å; S29-D32 PolarHBondContact O-N 3.26Å; S29-I33 WeakPolarHBondContact O-CD1 3.49Å; S29-I33 VanDerWaalsContact O-CG1 3.27Å; S29-I33 WeakPolarHBondContact O-CG1 3.33Å; S29-I33 PolarHBondContact O-N 3.35Å; S29-I33 VanDerWaalsContact O-N 3.07Å |
| 30 | V | 89.2 | Confident | 87.9 | Confident | 73 Ų | 73 | 96.3 Ų | 96.3 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.3 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | L26 E27 T28 I33 L34 | L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 2.98Å; E27-V30 PolarHBondContact O-N 2.91Å; T28-V30 VanDerWaalsContact C-N 3.35Å; T28-V30 PolarHBondContact O-N 3.36Å; V30-I33 PolarHBondContact O-N 3.38Å; V30-L34 HydrophobicContact CG1-CD1 4.17Å; V30-L34 WeakPolarHBondContact O-CG 3.34Å; V30-L34 PolarHBondContact O-N 3.28Å |
| 31 | R | 88.4 | Confident | 88.4 | Confident | 141 Ų | 141 | 97.8 Ų | 97.8 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.4 | -169.9 | 174.5 | -68 | 151.9 | 6.8 | 111.9 | E27 T28 S29 I33 L34 V35 | E27-R31 WeakPolarHBondContact O-CB 3.11Å; E27-R31 PolarHBondContact O-N 2.87Å; E27-R31 IonicContact OE1-CZ 3.72Å; E27-R31 IonicContact OE1-NH2 2.69Å; E27-R31 PolarHBondContact OE1-NH2 3.4Å; T28-R31 WeakPolarHBondContact O-CB 3.44Å; T28-R31 PolarHBondContact O-N 2.9Å; T28-R31 VanDerWaalsContact O-N 3.16Å; S29-R31 VanDerWaalsContact C-N 3.34Å; R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 PolarHBondContact O-N 3.01Å; R31-L34 PolarHBondContact O-N 3.18Å; R31-V35 WeakPolarHBondContact O-CG2 3.42Å; R31-V35 PolarHBondContact O-N 3.44Å |
| 32 | D | 88.6 | Confident | 88.5 | Confident | 103 Ų | 103 | 94.6 Ų | 94.6 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | 177.8 | -71.3 | -13.9 | 0 | 0 | 0 | 111.9 | T28 S29 V35 S36 | T28-D32 PolarHBondContact O-N 2.97Å; S29-D32 PolarHBondContact O-N 3.26Å; D32-V35 PolarHBondContact O-N 3.02Å; D32-S36 WeakPolarHBondContact O-CB 3.32Å; D32-S36 PolarHBondContact O-N 3.4Å |
| 33 | I | 87.6 | Confident | 88.8 | Confident | 96 Ų | 96 | 96.3 Ų | 96.3 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 173.9 | -69.2 | 165.3 | 0 | 0 | 0 | 110.7 | S29 V30 R31 V35 S36 I37 | S29-I33 WeakPolarHBondContact O-CD1 3.49Å; S29-I33 VanDerWaalsContact O-CG1 3.27Å; S29-I33 WeakPolarHBondContact O-CG1 3.33Å; S29-I33 PolarHBondContact O-N 3.35Å; S29-I33 VanDerWaalsContact O-N 3.07Å; V30-I33 PolarHBondContact O-N 3.38Å; R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 PolarHBondContact O-N 3.01Å; I33-V35 PolarHBondContact O-N 3.31Å; I33-S36 WeakPolarHBondContact O-CB 3.45Å; I33-S36 PolarHBondContact O-N 3.34Å; I33-I37 HydrophobicContact CG2-CD1 3.9Å; I33-I37 HydrophobicContact CG2-CG1 4.44Å; I33-I37 WeakPolarHBondContact O-CG1 3.39Å; I33-I37 PolarHBondContact O-N 3.39Å |
| 34 | L | 86.1 | Confident | 88.9 | Confident | 96 Ų | 96 | 92 Ų | 92 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 178.7 | -72.1 | 172.9 | 0 | 0 | 0 | 112 | V30 R31 S36 I37 E38 | V30-L34 HydrophobicContact CG1-CD1 4.17Å; V30-L34 WeakPolarHBondContact O-CG 3.34Å; V30-L34 PolarHBondContact O-N 3.28Å; R31-L34 PolarHBondContact O-N 3.18Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.97Å; L34-I37 PolarHBondContact O-N 2.96Å; L34-E38 PolarHBondContact O-N 3.31Å |
| 35 | V | 87.1 | Confident | 89 | Confident | 65 Ų | 65 | 93.2 Ų | 93.2 | 39% | 0.394 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | R31 D32 I33 I37 E38 E39 | R31-V35 WeakPolarHBondContact O-CG2 3.42Å; R31-V35 PolarHBondContact O-N 3.44Å; D32-V35 PolarHBondContact O-N 3.02Å; I33-V35 PolarHBondContact O-N 3.31Å; V35-I37 VanDerWaalsContact C-N 3.31Å; V35-I37 PolarHBondContact O-N 3.39Å; V35-E38 PolarHBondContact O-N 2.9Å; V35-E39 HydrophobicContact CG1-CG 4.45Å; V35-E39 WeakPolarHBondContact O-CG 3.32Å; V35-E39 PolarHBondContact O-N 3.43Å |
| 36 | S | 88.5 | Confident | 89.1 | Confident | 53 Ų | 53 | 90 Ų | 90 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 176.7 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | D32 I33 L34 N40 | D32-S36 WeakPolarHBondContact O-CB 3.32Å; D32-S36 PolarHBondContact O-N 3.4Å; I33-S36 WeakPolarHBondContact O-CB 3.45Å; I33-S36 PolarHBondContact O-N 3.34Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.97Å; S36-N40 WeakPolarHBondContact O-CB 3.47Å; S36-N40 VanDerWaalsContact O-CG 3.24Å; S36-N40 PolarHBondContact O-N 3.47Å; S36-N40 PolarHBondContact O-ND2 2.63Å |
| 37 | I | 89.4 | Confident | 89.1 | Confident | 88 Ų | 88 | 91.5 Ų | 91.5 | 45% | 0.451 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 174.3 | -69.3 | 167.1 | 0 | 0 | 0 | 110.5 | I33 L34 V35 E39 N40 Q41 | I33-I37 HydrophobicContact CG2-CD1 3.9Å; I33-I37 HydrophobicContact CG2-CG1 4.44Å; I33-I37 WeakPolarHBondContact O-CG1 3.39Å; I33-I37 PolarHBondContact O-N 3.39Å; L34-I37 PolarHBondContact O-N 2.96Å; V35-I37 VanDerWaalsContact C-N 3.31Å; V35-I37 PolarHBondContact O-N 3.39Å; I37-E39 PolarHBondContact O-N 3.19Å; I37-N40 PolarHBondContact O-N 2.89Å; I37-Q41 WeakPolarHBondContact O-CB 3.49Å; I37-Q41 PolarHBondContact O-N 3.03Å |
| 38 | E | 88.1 | Confident | 89.1 | Confident | 141 Ų | 141 | 91.7 Ų | 91.7 | 66% | 0.659 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 177.3 | -73 | -178.4 | 175.6 | 0 | 0 | 111.9 | L34 V35 Q41 A42 | L34-E38 PolarHBondContact O-N 3.31Å; V35-E38 PolarHBondContact O-N 2.9Å; E38-Q41 PolarHBondContact O-N 2.85Å; E38-A42 PolarHBondContact O-N 3.36Å |
| 39 | E | 89.1 | Confident | 89.1 | Confident | 122 Ų | 122 | 95.2 Ų | 95.2 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 175.5 | -73.6 | -178.1 | 168.5 | 0 | 0 | 112 | V35 I37 Q41 A42 L43 | V35-E39 HydrophobicContact CG1-CG 4.45Å; V35-E39 WeakPolarHBondContact O-CG 3.32Å; V35-E39 PolarHBondContact O-N 3.43Å; I37-E39 PolarHBondContact O-N 3.19Å; E39-Q41 VanDerWaalsContact C-N 3.32Å; E39-Q41 PolarHBondContact O-N 3.2Å; E39-A42 PolarHBondContact O-N 3.11Å; E39-L43 WeakPolarHBondContact O-CG 3.39Å; E39-L43 PolarHBondContact O-N 2.94Å |
| 40 | N | 87.8 | Confident | 89.1 | Confident | 82 Ų | 82 | 99 Ų | 99 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 177 | -76.9 | -37.5 | 0 | 0 | 0 | 111.9 | S36 I37 L43 I44 | S36-N40 WeakPolarHBondContact O-CB 3.47Å; S36-N40 VanDerWaalsContact O-CG 3.24Å; S36-N40 PolarHBondContact O-N 3.47Å; S36-N40 PolarHBondContact O-ND2 2.63Å; I37-N40 PolarHBondContact O-N 2.89Å; N40-L43 WeakPolarHBondContact O-CB 3.5Å; N40-L43 PolarHBondContact O-N 3Å; N40-I44 VanDerWaalsContact O-CG1 3.3Å; N40-I44 WeakPolarHBondContact O-CG1 3.42Å; N40-I44 PolarHBondContact O-N 3.03Å |
| 41 | Q | 91 | Very high | 89 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 176.8 | -167.9 | 147.7 | -12.8 | 0 | 0 | 111.4 | I37 E38 E39 L43 I44 E45 | I37-Q41 WeakPolarHBondContact O-CB 3.49Å; I37-Q41 PolarHBondContact O-N 3.03Å; E38-Q41 PolarHBondContact O-N 2.85Å; E39-Q41 VanDerWaalsContact C-N 3.32Å; E39-Q41 PolarHBondContact O-N 3.2Å; Q41-L43 VanDerWaalsContact C-N 3.31Å; Q41-L43 PolarHBondContact O-N 2.94Å; Q41-I44 PolarHBondContact O-N 2.97Å; Q41-E45 WeakPolarHBondContact O-CG 3.44Å; Q41-E45 PolarHBondContact O-N 3.47Å |
| 42 | A | 89.8 | Confident | 89.1 | Confident | 60 Ų | 60 | 96 Ų | 96 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E38 E39 G46 | E38-A42 PolarHBondContact O-N 3.36Å; E39-A42 PolarHBondContact O-N 3.11Å; A42-G46 PolarHBondContact O-N 2.87Å |
| 43 | L | 89.1 | Confident | 89.1 | Confident | 95 Ų | 95 | 96.7 Ų | 96.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 174 | -73.6 | 171.9 | 0 | 0 | 0 | 112 | E39 N40 Q41 G46 Y47 | E39-L43 WeakPolarHBondContact O-CG 3.39Å; E39-L43 PolarHBondContact O-N 2.94Å; N40-L43 WeakPolarHBondContact O-CB 3.5Å; N40-L43 PolarHBondContact O-N 3Å; Q41-L43 VanDerWaalsContact C-N 3.31Å; Q41-L43 PolarHBondContact O-N 2.94Å; L43-G46 PolarHBondContact O-N 3.39Å; L43-Y47 HydrophobicContact CB-CE2 4.41Å; L43-Y47 WeakPolarHBondContact O-CD2 3.46Å; L43-Y47 PolarHBondContact O-N 3.41Å |
| 44 | I | 89.3 | Confident | 89.1 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 40% | 0.395 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 177.2 | -70.6 | 165.9 | 0 | 0 | 0 | 110.6 | N40 Q41 G46 Y47 E48 | N40-I44 VanDerWaalsContact O-CG1 3.3Å; N40-I44 WeakPolarHBondContact O-CG1 3.42Å; N40-I44 PolarHBondContact O-N 3.03Å; Q41-I44 PolarHBondContact O-N 2.97Å; I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 2.93Å; I44-Y47 PolarHBondContact O-N 3.27Å; I44-Y47 VanDerWaalsContact O-N 3.13Å; I44-E48 HydrophobicContact CG2-CG 4.49Å; I44-E48 WeakPolarHBondContact O-CG 3.48Å; I44-E48 PolarHBondContact O-N 2.9Å |
| 45 | E | 91.6 | Very high | 89.2 | Confident | 121 Ų | 121 | 96.3 Ų | 96.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 176.6 | -71.5 | 179.9 | -176.6 | 0 | 0 | 111.4 | Q41 Y47 E48 Q49 | Q41-E45 WeakPolarHBondContact O-CG 3.44Å; Q41-E45 PolarHBondContact O-N 3.47Å; E45-Y47 PolarHBondContact O-N 3.47Å; E45-E48 PolarHBondContact O-N 3Å; E45-Q49 PolarHBondContact O-N 3.31Å |
| 46 | G | 91.9 | Very high | 89.4 | Confident | 28 Ų | 28 | 98.1 Ų | 98.1 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A42 L43 I44 R50 | A42-G46 PolarHBondContact O-N 2.87Å; L43-G46 PolarHBondContact O-N 3.39Å; I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 2.93Å; G46-R50 WeakPolarHBondContact O-CG 3.47Å; G46-R50 PolarHBondContact O-N 2.98Å; G46-R50 VanDerWaalsContact O-N 3.14Å |
| 47 | Y | 90.2 | Very high | 89.3 | Confident | 139 Ų | 139 | 100.4 Ų | 100.4 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 175.8 | -74.9 | -55.3 | 0 | 0 | 0 | 112.6 | L43 I44 E45 Q49 R50 L51 | L43-Y47 HydrophobicContact CB-CE2 4.41Å; L43-Y47 WeakPolarHBondContact O-CD2 3.46Å; L43-Y47 PolarHBondContact O-N 3.41Å; I44-Y47 PolarHBondContact O-N 3.27Å; I44-Y47 VanDerWaalsContact O-N 3.13Å; E45-Y47 PolarHBondContact O-N 3.47Å; Y47-Q49 VanDerWaalsContact C-N 3.3Å; Y47-Q49 PolarHBondContact O-N 3.01Å; Y47-R50 PolarHBondContact O-N 2.97Å; Y47-L51 WeakPolarHBondContact O-CB 3.21Å; Y47-L51 WeakPolarHBondContact O-CG 3.4Å; Y47-L51 PolarHBondContact O-N 3.25Å |
| 48 | E | 91 | Very high | 89.2 | Confident | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 176.2 | -73.5 | -177.3 | 175.2 | 0 | 0 | 111.4 | I44 E45 L51 G52 K208 | I44-E48 HydrophobicContact CG2-CG 4.49Å; I44-E48 WeakPolarHBondContact O-CG 3.48Å; I44-E48 PolarHBondContact O-N 2.9Å; E45-E48 PolarHBondContact O-N 3Å; E48-L51 PolarHBondContact O-N 2.95Å; E48-G52 PolarHBondContact O-N 3.42Å; E48-K208 IonicContact OE1-NZ 3.06Å; E48-K208 PolarHBondContact OE1-NZ 3.16Å |
| 49 | Q | 89 | Confident | 89.3 | Confident | 141 Ų | 141 | 101.5 Ų | 101.5 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 175.3 | -146.3 | 178.4 | 32.7 | 0 | 0 | 111.9 | E45 Y47 G52 Q53 | E45-Q49 PolarHBondContact O-N 3.31Å; Y47-Q49 VanDerWaalsContact C-N 3.3Å; Y47-Q49 PolarHBondContact O-N 3.01Å; Q49-G52 PolarHBondContact O-N 3.22Å; Q49-Q53 WeakPolarHBondContact O-CG 3.34Å; Q49-Q53 PolarHBondContact O-N 3.12Å |
| 50 | R | 88 | Confident | 89.2 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 54% | 0.536 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 174.9 | -72.8 | -178.1 | -163.1 | 176.8 | 7.3 | 112.4 | G46 Y47 G52 Q53 Y54 | G46-R50 WeakPolarHBondContact O-CG 3.47Å; G46-R50 PolarHBondContact O-N 2.98Å; G46-R50 VanDerWaalsContact O-N 3.14Å; Y47-R50 PolarHBondContact O-N 2.97Å; R50-G52 VanDerWaalsContact C-N 3.29Å; R50-G52 PolarHBondContact O-N 3.1Å; R50-Q53 WeakPolarHBondContact O-CB 3.37Å; R50-Q53 PolarHBondContact O-N 3.27Å; R50-Q53 VanDerWaalsContact O-N 3.16Å; R50-Y54 HydrophobicContact CB-CE2 4.36Å; R50-Y54 VanDerWaalsContact O-CD2 3.24Å; R50-Y54 WeakPolarHBondContact O-CD2 3.32Å; R50-Y54 PolarHBondContact O-N 3.07Å |
| 51 | L | 88.6 | Confident | 89.2 | Confident | 117 Ų | 117 | 107.5 Ų | 107.5 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -40.3 | 174.9 | -76.3 | 170.6 | 0 | 0 | 0 | 111.4 | Y47 E48 Y54 A55 | Y47-L51 WeakPolarHBondContact O-CB 3.21Å; Y47-L51 WeakPolarHBondContact O-CG 3.4Å; Y47-L51 PolarHBondContact O-N 3.25Å; E48-L51 PolarHBondContact O-N 2.95Å; L51-Y54 PolarHBondContact O-N 2.88Å; L51-A55 WeakPolarHBondContact O-CB 3.36Å; L51-A55 PolarHBondContact O-N 3.49Å |
| 52 | G | 90.3 | Very high | 89.1 | Confident | 34 Ų | 34 | 105.2 Ų | 105.2 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E48 Q49 R50 A55 N56 | E48-G52 PolarHBondContact O-N 3.42Å; Q49-G52 PolarHBondContact O-N 3.22Å; R50-G52 VanDerWaalsContact C-N 3.29Å; R50-G52 PolarHBondContact O-N 3.1Å; G52-A55 PolarHBondContact O-N 3.25Å; G52-N56 PolarHBondContact O-N 3.43Å; G52-N56 VanDerWaalsContact O-N 3.11Å; G52-N56 PolarHBondContact O-ND2 3.44Å |
| 53 | Q | 88.7 | Confident | 89 | Confident | 116 Ų | 116 | 106.6 Ų | 106.6 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 175.3 | -69.6 | 173.3 | 2.3 | 0 | 0 | 111.7 | Q49 R50 A55 N56 E57 | Q49-Q53 WeakPolarHBondContact O-CG 3.34Å; Q49-Q53 PolarHBondContact O-N 3.12Å; R50-Q53 WeakPolarHBondContact O-CB 3.37Å; R50-Q53 PolarHBondContact O-N 3.27Å; R50-Q53 VanDerWaalsContact O-N 3.16Å; Q53-A55 VanDerWaalsContact C-N 3.32Å; Q53-A55 PolarHBondContact O-N 3.37Å; Q53-N56 WeakPolarHBondContact O-CB 3.22Å; Q53-N56 PolarHBondContact O-N 3Å; Q53-N56 VanDerWaalsContact O-N 3.13Å; Q53-E57 PolarHBondContact O-N 2.96Å |
| 54 | Y | 87.4 | Confident | 88.8 | Confident | 140 Ų | 140 | 105 Ų | 105 | 55% | 0.549 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 177.4 | -68.9 | -46 | 0 | 0 | 0 | 112.9 | R50 L51 N56 E57 L58 | R50-Y54 HydrophobicContact CB-CE2 4.36Å; R50-Y54 VanDerWaalsContact O-CD2 3.24Å; R50-Y54 WeakPolarHBondContact O-CD2 3.32Å; R50-Y54 PolarHBondContact O-N 3.07Å; L51-Y54 PolarHBondContact O-N 2.88Å; Y54-N56 VanDerWaalsContact C-N 3.32Å; Y54-N56 PolarHBondContact O-N 3.37Å; Y54-E57 PolarHBondContact O-N 3.2Å; Y54-L58 WeakPolarHBondContact O-CB 2.92Å; Y54-L58 PolarHBondContact O-N 2.86Å |
| 55 | A | 88.1 | Confident | 88.5 | Confident | 45 Ų | 45 | 104.5 Ų | 104.5 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L51 G52 Q53 L58 K59 | L51-A55 WeakPolarHBondContact O-CB 3.36Å; L51-A55 PolarHBondContact O-N 3.49Å; G52-A55 PolarHBondContact O-N 3.25Å; Q53-A55 VanDerWaalsContact C-N 3.32Å; Q53-A55 PolarHBondContact O-N 3.37Å; A55-L58 PolarHBondContact O-N 3.46Å; A55-K59 WeakPolarHBondContact O-CG 3.48Å; A55-K59 PolarHBondContact O-N 3.38Å |
| 56 | N | 89.8 | Confident | 88.3 | Confident | 103 Ų | 103 | 103.9 Ų | 103.9 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.2 | -40.8 | 176 | -72.5 | -26.5 | 0 | 0 | 0 | 112.1 | G52 Q53 Y54 K59 R60 | G52-N56 PolarHBondContact O-N 3.43Å; G52-N56 VanDerWaalsContact O-N 3.11Å; G52-N56 PolarHBondContact O-ND2 3.44Å; Q53-N56 WeakPolarHBondContact O-CB 3.22Å; Q53-N56 PolarHBondContact O-N 3Å; Q53-N56 VanDerWaalsContact O-N 3.13Å; Y54-N56 VanDerWaalsContact C-N 3.32Å; Y54-N56 PolarHBondContact O-N 3.37Å; N56-K59 PolarHBondContact O-N 2.88Å; N56-R60 PolarHBondContact O-N 3.06Å |
| 57 | E | 86.7 | Confident | 88.1 | Confident | 101 Ų | 101 | 108.5 Ų | 108.5 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 172.8 | -73.9 | -171.7 | 159 | 0 | 0 | 111.7 | Q53 Y54 K59 R60 W61 | Q53-E57 PolarHBondContact O-N 2.96Å; Y54-E57 PolarHBondContact O-N 3.2Å; E57-K59 VanDerWaalsContact C-N 3.32Å; E57-K59 PolarHBondContact O-N 2.98Å; E57-R60 WeakPolarHBondContact O-CB 3.5Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 VanDerWaalsContact O-N 3.12Å; E57-W61 PolarHBondContact O-N 3.48Å |
| 58 | L | 86.8 | Confident | 87.8 | Confident | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 174.2 | -98.9 | 158.9 | 0 | 0 | 0 | 111.7 | Y54 A55 N62 | Y54-L58 WeakPolarHBondContact O-CB 2.92Å; Y54-L58 PolarHBondContact O-N 2.86Å; A55-L58 PolarHBondContact O-N 3.46Å; L58-N62 VanDerWaalsContact O-CB 3.23Å; L58-N62 WeakPolarHBondContact O-CB 3.45Å; L58-N62 PolarHBondContact O-N 2.6Å |
| 59 | K | 90.5 | Very high | 87.5 | Confident | 152 Ų | 152 | 103.1 Ų | 103.1 | 66% | 0.661 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 174.7 | -76.2 | 178.5 | -178.3 | 174.6 | 0 | 111.7 | A55 N56 E57 N62 E63 | A55-K59 WeakPolarHBondContact O-CG 3.48Å; A55-K59 PolarHBondContact O-N 3.38Å; N56-K59 PolarHBondContact O-N 2.88Å; E57-K59 VanDerWaalsContact C-N 3.32Å; E57-K59 PolarHBondContact O-N 2.98Å; K59-N62 PolarHBondContact O-N 3.31Å; K59-E63 PolarHBondContact O-N 3.17Å |
| 60 | R | 88.4 | Confident | 87.4 | Confident | 159 Ų | 159 | 101.1 Ų | 101.1 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 178.4 | -176.6 | -178.3 | 176.5 | -169 | -0.7 | 111.7 | N56 E57 N62 E63 I64 | N56-R60 PolarHBondContact O-N 3.06Å; E57-R60 WeakPolarHBondContact O-CB 3.5Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 VanDerWaalsContact O-N 3.12Å; R60-N62 VanDerWaalsContact C-N 3.31Å; R60-N62 PolarHBondContact O-N 2.92Å; R60-E63 PolarHBondContact O-N 3.29Å; R60-I64 HydrophobicContact CG-CD1 4.13Å; R60-I64 WeakPolarHBondContact O-CG1 3.48Å; R60-I64 PolarHBondContact O-N 3.29Å |
| 61 | W | 86.4 | Confident | 87.1 | Confident | 171 Ų | 171 | 98.1 Ų | 98.1 | 65% | 0.648 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 177.2 | -78.2 | 115.9 | 0 | 0 | 0 | 112.2 | E57 E63 I64 Q65 | E57-W61 PolarHBondContact O-N 3.48Å; W61-E63 VanDerWaalsContact C-N 3.28Å; W61-E63 PolarHBondContact O-N 3.03Å; W61-I64 HydrophobicContact CE3-CD1 4.17Å; W61-I64 HydrophobicContact CZ3-CD1 4.38Å; W61-I64 PolarHBondContact O-N 3Å; W61-Q65 WeakPolarHBondContact O-CB 3.39Å; W61-Q65 PolarHBondContact O-N 3.3Å |
| 62 | N | 88.7 | Confident | 86.5 | Confident | 65 Ų | 65 | 93.2 Ų | 93.2 | 35% | 0.348 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -33.6 | 177.3 | -155.6 | 33.5 | 0 | 0 | 0 | 112.1 | L58 K59 R60 K66 K194 | L58-N62 VanDerWaalsContact O-CB 3.23Å; L58-N62 WeakPolarHBondContact O-CB 3.45Å; L58-N62 PolarHBondContact O-N 2.6Å; K59-N62 PolarHBondContact O-N 3.31Å; R60-N62 VanDerWaalsContact C-N 3.31Å; R60-N62 PolarHBondContact O-N 2.92Å; N62-K66 PolarHBondContact O-N 3.1Å; N62-K194 PolarHBondContact ND2-NZ 3.09Å; N62-K194 PolarHBondContact OD1-NZ 3.35Å |
| 63 | E | 88.5 | Confident | 86.3 | Confident | 89 Ų | 89 | 99.3 Ų | 99.3 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.1 | -39.7 | 175.6 | -165.2 | 57.5 | -150.6 | 0 | 0 | 112.2 | K59 R60 W61 Q65 K66 Q67 | K59-E63 PolarHBondContact O-N 3.17Å; R60-E63 PolarHBondContact O-N 3.29Å; W61-E63 VanDerWaalsContact C-N 3.28Å; W61-E63 PolarHBondContact O-N 3.03Å; E63-Q65 VanDerWaalsContact C-N 3.27Å; E63-Q65 PolarHBondContact O-N 3.3Å; E63-K66 PolarHBondContact O-N 3.21Å; E63-K66 IonicContact OE2-NZ 3.88Å; E63-K66 PolarHBondContact OE2-NZ 3.04Å; E63-Q67 WeakPolarHBondContact O-CG 3.47Å; E63-Q67 PolarHBondContact O-N 3.44Å; E63-Q67 VanDerWaalsContact O-N 3.11Å |
| 64 | I | 85.1 | Confident | 86.2 | Confident | 62 Ų | 62 | 100.5 Ų | 100.5 | 32% | 0.318 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 171.5 | -67.7 | 167.3 | 0 | 0 | 0 | 110 | R60 W61 K66 Q67 V68 | R60-I64 HydrophobicContact CG-CD1 4.13Å; R60-I64 WeakPolarHBondContact O-CG1 3.48Å; R60-I64 PolarHBondContact O-N 3.29Å; W61-I64 HydrophobicContact CE3-CD1 4.17Å; W61-I64 HydrophobicContact CZ3-CD1 4.38Å; W61-I64 PolarHBondContact O-N 3Å; I64-K66 PolarHBondContact O-N 3.26Å; I64-Q67 WeakPolarHBondContact O-CB 3.48Å; I64-Q67 PolarHBondContact O-N 3Å; I64-Q67 VanDerWaalsContact O-N 3.11Å; I64-V68 HydrophobicContact CG2-CG2 4.42Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.48Å |
| 65 | Q | 83 | Confident | 85.9 | Confident | 66 Ų | 66 | 95.6 Ų | 95.6 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 177.7 | -173.4 | 61.8 | 36.4 | 0 | 0 | 111.8 | W61 E63 Q67 V68 D69 | W61-Q65 WeakPolarHBondContact O-CB 3.39Å; W61-Q65 PolarHBondContact O-N 3.3Å; E63-Q65 VanDerWaalsContact C-N 3.27Å; E63-Q65 PolarHBondContact O-N 3.3Å; Q65-Q67 VanDerWaalsContact C-N 3.29Å; Q65-Q67 PolarHBondContact O-N 3.38Å; Q65-V68 WeakPolarHBondContact O-CB 3.47Å; Q65-V68 PolarHBondContact O-N 3.11Å; Q65-D69 PolarHBondContact NE2-OD1 3.4Å; Q65-D69 VanDerWaalsContact O-CG 3.3Å; Q65-D69 PolarHBondContact O-N 3.03Å |
| 66 | K | 87.7 | Confident | 85.7 | Confident | 108 Ų | 108 | 97 Ų | 97 | 47% | 0.47 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 175.2 | -72 | 179 | -166.1 | 160.1 | 0 | 112.4 | N62 E63 I64 V68 D69 V70 | N62-K66 PolarHBondContact O-N 3.1Å; E63-K66 PolarHBondContact O-N 3.21Å; E63-K66 IonicContact OE2-NZ 3.88Å; E63-K66 PolarHBondContact OE2-NZ 3.04Å; I64-K66 PolarHBondContact O-N 3.26Å; K66-V68 VanDerWaalsContact C-N 3.33Å; K66-D69 PolarHBondContact O-N 3.12Å; K66-V70 VanDerWaalsContact O-CG2 3.29Å; K66-V70 WeakPolarHBondContact O-CG2 3.48Å; K66-V70 PolarHBondContact O-N 2.96Å |
| 67 | Q | 86.4 | Confident | 85.5 | Confident | 125 Ų | 125 | 94 Ų | 94 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 178.5 | -68.6 | 179.2 | 9.7 | 0 | 0 | 111.4 | E63 I64 Q65 V70 S71 | E63-Q67 WeakPolarHBondContact O-CG 3.47Å; E63-Q67 PolarHBondContact O-N 3.44Å; E63-Q67 VanDerWaalsContact O-N 3.11Å; I64-Q67 WeakPolarHBondContact O-CB 3.48Å; I64-Q67 PolarHBondContact O-N 3Å; I64-Q67 VanDerWaalsContact O-N 3.11Å; Q65-Q67 VanDerWaalsContact C-N 3.29Å; Q65-Q67 PolarHBondContact O-N 3.38Å; Q67-V70 PolarHBondContact O-N 3.37Å; Q67-S71 WeakPolarHBondContact O-CB 3.32Å; Q67-S71 PolarHBondContact O-N 3.29Å |
| 68 | V | 84.5 | Confident | 85 | Confident | 77 Ų | 77 | 94.4 Ų | 94.4 | 47% | 0.467 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | I64 Q65 K66 V70 S71 A72 | I64-V68 HydrophobicContact CG2-CG2 4.42Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.48Å; Q65-V68 WeakPolarHBondContact O-CB 3.47Å; Q65-V68 PolarHBondContact O-N 3.11Å; K66-V68 VanDerWaalsContact C-N 3.33Å; V68-V70 PolarHBondContact O-N 3.45Å; V68-S71 PolarHBondContact O-N 2.88Å; V68-A72 WeakPolarHBondContact O-CB 3.46Å; V68-A72 PolarHBondContact O-N 3.36Å |
| 69 | D | 84.5 | Confident | 84.6 | Confident | 53 Ų | 53 | 91.2 Ų | 91.2 | 28% | 0.283 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | -179.9 | -67.4 | -14.8 | 0 | 0 | 0 | 112.2 | Q65 K66 A72 K73 | Q65-D69 PolarHBondContact NE2-OD1 3.4Å; Q65-D69 VanDerWaalsContact O-CG 3.3Å; Q65-D69 PolarHBondContact O-N 3.03Å; K66-D69 PolarHBondContact O-N 3.12Å; D69-A72 PolarHBondContact O-N 3.34Å; D69-K73 WeakPolarHBondContact O-CB 3.32Å; D69-K73 WeakPolarHBondContact O-CG 3.45Å; D69-K73 PolarHBondContact O-N 2.85Å |
| 70 | V | 86.5 | Confident | 84.2 | Confident | 99 Ų | 99 | 88.4 Ų | 88.4 | 60% | 0.6 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | K66 Q67 V68 K73 K74 | K66-V70 VanDerWaalsContact O-CG2 3.29Å; K66-V70 WeakPolarHBondContact O-CG2 3.48Å; K66-V70 PolarHBondContact O-N 2.96Å; Q67-V70 PolarHBondContact O-N 3.37Å; V68-V70 PolarHBondContact O-N 3.45Å; V70-K73 PolarHBondContact O-N 3Å; V70-K74 WeakPolarHBondContact O-CB 3.38Å; V70-K74 PolarHBondContact O-N 2.94Å |
| 71 | S | 82.9 | Confident | 83.7 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.2 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | Q67 V68 K74 S75 | Q67-S71 WeakPolarHBondContact O-CB 3.32Å; Q67-S71 PolarHBondContact O-N 3.29Å; V68-S71 PolarHBondContact O-N 2.88Å; S71-K74 PolarHBondContact O-N 3.26Å; S71-S75 PolarHBondContact O-N 3.27Å |
| 72 | A | 74.7 | Confident | 83.2 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 12% | 0.124 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V68 D69 K74 S75 K76 | V68-A72 WeakPolarHBondContact O-CB 3.46Å; V68-A72 PolarHBondContact O-N 3.36Å; D69-A72 PolarHBondContact O-N 3.34Å; A72-K74 VanDerWaalsContact C-N 3.31Å; A72-K74 PolarHBondContact O-N 2.92Å; A72-S75 PolarHBondContact O-N 2.91Å; A72-S75 PolarHBondContact O-OG 2.92Å; A72-S75 VanDerWaalsContact O-OG 3.07Å; A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 PolarHBondContact O-N 3.3Å |
| 73 | K | 86.8 | Confident | 82.7 | Confident | 162 Ų | 162 | 80.3 Ų | 80.3 | 70% | 0.704 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 173.9 | -76.8 | 177 | -178.9 | 176.2 | 0 | 111.9 | D69 V70 G77 | D69-K73 WeakPolarHBondContact O-CB 3.32Å; D69-K73 WeakPolarHBondContact O-CG 3.45Å; D69-K73 PolarHBondContact O-N 2.85Å; V70-K73 PolarHBondContact O-N 3Å; K73-G77 PolarHBondContact O-N 3.38Å |
| 74 | K | 87.2 | Confident | 82.4 | Confident | 140 Ų | 140 | 81.3 Ų | 81.3 | 61% | 0.609 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.2 | -44.4 | 178.3 | -173.1 | 178.1 | 179.5 | -179 | 0 | 111.7 | V70 S71 A72 G77 Q78 | V70-K74 WeakPolarHBondContact O-CB 3.38Å; V70-K74 PolarHBondContact O-N 2.94Å; S71-K74 PolarHBondContact O-N 3.26Å; A72-K74 VanDerWaalsContact C-N 3.31Å; A72-K74 PolarHBondContact O-N 2.92Å; K74-G77 PolarHBondContact O-N 2.93Å; K74-Q78 WeakPolarHBondContact O-CG 3.45Å; K74-Q78 PolarHBondContact O-N 3.44Å |
| 75 | S | 80.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 83.3 Ų | 83.3 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 177.2 | 76 | 0 | 0 | 0 | 0 | 110.5 | S71 A72 G77 Q78 L79 | S71-S75 PolarHBondContact O-N 3.27Å; A72-S75 PolarHBondContact O-N 2.91Å; A72-S75 PolarHBondContact O-OG 2.92Å; A72-S75 VanDerWaalsContact O-OG 3.07Å; S75-G77 VanDerWaalsContact C-N 3.29Å; S75-G77 PolarHBondContact O-N 3.37Å; S75-Q78 WeakPolarHBondContact O-CB 3.5Å; S75-Q78 PolarHBondContact O-N 2.86Å; S75-L79 VanDerWaalsContact O-CG 3.32Å; S75-L79 WeakPolarHBondContact O-CG 3.42Å; S75-L79 PolarHBondContact O-N 2.92Å |
| 76 | K | 84.7 | Confident | 81.5 | Confident | 74 Ų | 74 | 81.2 Ų | 81.2 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.3 | -45.3 | 175.7 | -170.1 | 170.9 | -168.8 | 163.3 | 0 | 111.8 | A72 Q78 L79 L80 D181 | A72-K76 WeakPolarHBondContact O-CB 3.5Å; A72-K76 PolarHBondContact O-N 3.3Å; K76-Q78 PolarHBondContact O-N 3.02Å; K76-L79 PolarHBondContact O-N 3.44Å; K76-L80 HydrophobicContact CG-CD1 4.36Å; K76-L80 WeakPolarHBondContact O-CG 3.38Å; K76-L80 PolarHBondContact O-N 3.03Å; K76-D181 VanDerWaalsContact NZ-CG 3.28Å; K76-D181 IonicContact NZ-OD1 2.63Å; K76-D181 PolarHBondContact NZ-OD1 3.34Å; K76-D181 IonicContact NZ-OD2 2.78Å; K76-D181 PolarHBondContact NZ-OD2 3.46Å |
| 77 | G | 84.7 | Confident | 81 | Confident | 40 Ų | 40 | 80.9 Ų | 80.9 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K73 K74 S75 A81 | K73-G77 PolarHBondContact O-N 3.38Å; K74-G77 PolarHBondContact O-N 2.93Å; S75-G77 VanDerWaalsContact C-N 3.29Å; S75-G77 PolarHBondContact O-N 3.37Å; G77-A81 WeakPolarHBondContact O-CB 3.33Å; G77-A81 PolarHBondContact O-N 3.2Å |
| 78 | Q | 77.2 | Confident | 80.6 | Confident | 111 Ų | 111 | 78.4 Ų | 78.4 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 176.3 | -72.7 | 176.3 | -24.8 | 0 | 0 | 112.3 | K74 S75 K76 A81 Q82 | K74-Q78 WeakPolarHBondContact O-CG 3.45Å; K74-Q78 PolarHBondContact O-N 3.44Å; S75-Q78 WeakPolarHBondContact O-CB 3.5Å; S75-Q78 PolarHBondContact O-N 2.86Å; K76-Q78 PolarHBondContact O-N 3.02Å; Q78-A81 PolarHBondContact O-N 3.38Å; Q78-Q82 WeakPolarHBondContact O-CG 3.38Å; Q78-Q82 PolarHBondContact O-N 2.75Å |
| 79 | L | 77.5 | Confident | 80.1 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 17% | 0.173 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 178.6 | -64 | 179.9 | 0 | 0 | 0 | 112 | S75 K76 A81 Q82 Q83 L173 T177 | S75-L79 VanDerWaalsContact O-CG 3.32Å; S75-L79 WeakPolarHBondContact O-CG 3.42Å; S75-L79 PolarHBondContact O-N 2.92Å; K76-L79 PolarHBondContact O-N 3.44Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 3.24Å; L79-Q82 PolarHBondContact O-N 3.23Å; L79-Q83 WeakPolarHBondContact O-CB 3.43Å; L79-Q83 PolarHBondContact O-N 2.89Å; L79-L173 HydrophobicContact CD1-CD2 3.64Å; L79-L173 HydrophobicContact CD2-CB 4.47Å; L79-L173 HydrophobicContact CD2-CD1 3.75Å; L79-L173 HydrophobicContact CD2-CD2 3.19Å; L79-L173 HydrophobicContact CD2-CG 3.96Å; L79-L173 HydrophobicContact CG-CD2 3.99Å; L79-T177 HydrophobicContact CB-CG2 4.48Å; L79-T177 HydrophobicContact CD1-CG2 3.46Å; L79-T177 VanDerWaalsContact CD1-CG2 3.46Å |
| 80 | L | 81.4 | Confident | 79.5 | Confident | 93 Ų | 93 | 78.2 Ų | 78.2 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 173.9 | -69.8 | 172.2 | 0 | 0 | 0 | 111.8 | K76 Q83 E84 | K76-L80 HydrophobicContact CG-CD1 4.36Å; K76-L80 WeakPolarHBondContact O-CG 3.38Å; K76-L80 PolarHBondContact O-N 3.03Å; L80-Q83 WeakPolarHBondContact O-CB 3.48Å; L80-Q83 PolarHBondContact O-N 2.72Å; L80-E84 PolarHBondContact O-N 3.48Å |
| 81 | A | 78.8 | Confident | 79.3 | Confident | 54 Ų | 54 | 80.6 Ų | 80.6 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G77 Q78 L79 Q83 E84 I85 | G77-A81 WeakPolarHBondContact O-CB 3.33Å; G77-A81 PolarHBondContact O-N 3.2Å; Q78-A81 PolarHBondContact O-N 3.38Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 3.24Å; A81-Q83 VanDerWaalsContact C-N 3.34Å; A81-E84 PolarHBondContact O-N 3.49Å; A81-I85 WeakPolarHBondContact O-CG1 3.41Å; A81-I85 PolarHBondContact O-N 2.89Å; A81-I85 VanDerWaalsContact O-N 3.12Å |
| 82 | Q | 76 | Confident | 79 | Confident | 97 Ų | 97 | 82.3 Ų | 82.3 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 173.3 | -76.3 | 177.3 | -15.8 | 0 | 0 | 111.2 | Q78 L79 E84 I85 I86 | Q78-Q82 WeakPolarHBondContact O-CG 3.38Å; Q78-Q82 PolarHBondContact O-N 2.75Å; L79-Q82 PolarHBondContact O-N 3.23Å; Q82-E84 VanDerWaalsContact C-N 3.32Å; Q82-E84 PolarHBondContact O-N 3.12Å; Q82-I85 PolarHBondContact O-N 3.16Å; Q82-I86 VanDerWaalsContact O-CD1 3.3Å; Q82-I86 WeakPolarHBondContact O-CD1 3.45Å; Q82-I86 WeakPolarHBondContact O-CG1 3.29Å; Q82-I86 PolarHBondContact O-N 3.26Å |
| 83 | Q | 77.1 | Confident | 78.9 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 34% | 0.341 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 178 | -167.2 | -176 | 17.2 | 0 | 0 | 112 | L79 L80 A81 I86 K87 V170 | L79-Q83 WeakPolarHBondContact O-CB 3.43Å; L79-Q83 PolarHBondContact O-N 2.89Å; L80-Q83 WeakPolarHBondContact O-CB 3.48Å; L80-Q83 PolarHBondContact O-N 2.72Å; A81-Q83 VanDerWaalsContact C-N 3.34Å; Q83-I86 PolarHBondContact O-N 3.25Å; Q83-K87 WeakPolarHBondContact O-CG 3.39Å; Q83-K87 PolarHBondContact O-N 3.24Å; Q83-V170 HydrophobicContact CG-CG1 4.08Å |
| 84 | E | 82.5 | Confident | 78.2 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 176.7 | -78 | -57.8 | 133.3 | 0 | 0 | 113.1 | L80 A81 Q82 I86 K87 S88 | L80-E84 PolarHBondContact O-N 3.48Å; A81-E84 PolarHBondContact O-N 3.49Å; Q82-E84 VanDerWaalsContact C-N 3.32Å; Q82-E84 PolarHBondContact O-N 3.12Å; E84-I86 PolarHBondContact O-N 3.41Å; E84-K87 PolarHBondContact O-N 2.93Å; E84-K87 IonicContact OE1-NZ 3.81Å; E84-K87 PolarHBondContact OE1-NZ 3.36Å; E84-S88 WeakPolarHBondContact O-CB 3.31Å; E84-S88 PolarHBondContact O-N 3.33Å |
| 85 | I | 78.5 | Confident | 77.6 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58 | -41.4 | 172.6 | -68.8 | 166.6 | 0 | 0 | 0 | 110 | A81 Q82 S88 L89 | A81-I85 WeakPolarHBondContact O-CG1 3.41Å; A81-I85 PolarHBondContact O-N 2.89Å; A81-I85 VanDerWaalsContact O-N 3.12Å; Q82-I85 PolarHBondContact O-N 3.16Å; I85-S88 WeakPolarHBondContact O-CB 3.48Å; I85-S88 PolarHBondContact O-N 3.01Å; I85-L89 HydrophobicContact CG2-CD1 4.01Å; I85-L89 HydrophobicContact CG2-CG 4.45Å; I85-L89 WeakPolarHBondContact O-CG 3.13Å; I85-L89 PolarHBondContact O-N 3.47Å |
| 86 | I | 71.1 | Confident | 77.1 | Confident | 21 Ų | 21 | 77.8 Ų | 77.8 | 11% | 0.108 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.3 | -43.7 | -176.1 | -67.3 | 164.4 | 0 | 0 | 0 | 110.9 | Q82 Q83 E84 S88 L89 I90 I166 V170 | Q82-I86 VanDerWaalsContact O-CD1 3.3Å; Q82-I86 WeakPolarHBondContact O-CD1 3.45Å; Q82-I86 WeakPolarHBondContact O-CG1 3.29Å; Q82-I86 PolarHBondContact O-N 3.26Å; Q83-I86 PolarHBondContact O-N 3.25Å; E84-I86 PolarHBondContact O-N 3.41Å; I86-S88 VanDerWaalsContact C-N 3.25Å; I86-S88 PolarHBondContact O-N 3.28Å; I86-L89 PolarHBondContact O-N 3.02Å; I86-L89 VanDerWaalsContact O-N 3.16Å; I86-I90 HydrophobicContact CG2-CD1 3.89Å; I86-I90 HydrophobicContact CG2-CG1 4.49Å; I86-I90 WeakPolarHBondContact O-CD1 3.32Å; I86-I90 VanDerWaalsContact O-CG1 3.27Å; I86-I90 WeakPolarHBondContact O-CG1 3.45Å; I86-I90 PolarHBondContact O-N 3.38Å; I86-I166 HydrophobicContact CB-CG2 4.31Å; I86-I166 HydrophobicContact CD1-CG2 3.19Å; I86-I166 HydrophobicContact CG1-CG2 3.39Å; I86-I166 HydrophobicContact CG2-CG2 3.99Å; I86-V170 HydrophobicContact CB-CG2 4.36Å; I86-V170 HydrophobicContact CD1-CG2 3.07Å; I86-V170 HydrophobicContact CG1-CG2 4.25Å; I86-V170 HydrophobicContact CG2-CG2 4.2Å |
| 87 | K | 78.1 | Confident | 76.3 | Confident | 101 Ų | 101 | 77.3 Ų | 77.3 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.9 | -41 | 170.1 | -71.6 | 178.3 | -168.3 | 163.6 | 0 | 111.9 | Q83 E84 I90 K91 | Q83-K87 WeakPolarHBondContact O-CG 3.39Å; Q83-K87 PolarHBondContact O-N 3.24Å; E84-K87 PolarHBondContact O-N 2.93Å; E84-K87 IonicContact OE1-NZ 3.81Å; E84-K87 PolarHBondContact OE1-NZ 3.36Å; K87-I90 PolarHBondContact O-N 2.95Å; K87-K91 WeakPolarHBondContact O-CB 3.36Å; K87-K91 PolarHBondContact O-N 2.93Å |
| 88 | S | 77.8 | Confident | 75.8 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.4 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | E84 I85 I86 K91 E92 | E84-S88 WeakPolarHBondContact O-CB 3.31Å; E84-S88 PolarHBondContact O-N 3.33Å; I85-S88 WeakPolarHBondContact O-CB 3.48Å; I85-S88 PolarHBondContact O-N 3.01Å; I86-S88 VanDerWaalsContact C-N 3.25Å; I86-S88 PolarHBondContact O-N 3.28Å; S88-K91 PolarHBondContact O-N 3.47Å; S88-E92 PolarHBondContact O-N 3.04Å |
| 89 | L | 73.8 | Confident | 75.5 | Confident | 71 Ų | 71 | 80.7 Ų | 80.7 | 37% | 0.372 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.2 | -74.2 | 169.7 | 0 | 0 | 0 | 112.1 | I85 I86 K91 E92 N93 | I85-L89 HydrophobicContact CG2-CD1 4.01Å; I85-L89 HydrophobicContact CG2-CG 4.45Å; I85-L89 WeakPolarHBondContact O-CG 3.13Å; I85-L89 PolarHBondContact O-N 3.47Å; I86-L89 PolarHBondContact O-N 3.02Å; I86-L89 VanDerWaalsContact O-N 3.16Å; L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 2.87Å; L89-E92 PolarHBondContact O-N 3.37Å; L89-N93 WeakPolarHBondContact O-CB 3.38Å; L89-N93 PolarHBondContact O-N 2.9Å |
| 90 | I | 72 | Confident | 75 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 175.4 | -67.5 | 160 | 0 | 0 | 0 | 110.3 | I86 K87 N93 T94 V163 E167 | I86-I90 HydrophobicContact CG2-CD1 3.89Å; I86-I90 HydrophobicContact CG2-CG1 4.49Å; I86-I90 WeakPolarHBondContact O-CD1 3.32Å; I86-I90 VanDerWaalsContact O-CG1 3.27Å; I86-I90 WeakPolarHBondContact O-CG1 3.45Å; I86-I90 PolarHBondContact O-N 3.38Å; K87-I90 PolarHBondContact O-N 2.95Å; I90-N93 PolarHBondContact O-N 3.17Å; I90-T94 PolarHBondContact O-N 3.45Å; I90-T94 PolarHBondContact O-OG1 2.83Å; I90-V163 HydrophobicContact CG1-CG1 4.11Å; I90-E167 HydrophobicContact CD1-CG 3.94Å; I90-E167 WeakPolarHBondContact CD1-OE1 3.45Å; I90-E167 HydrophobicContact CG1-CG 4.5Å; I90-E167 WeakPolarHBondContact CG1-OE1 3.41Å |
| 91 | K | 82 | Confident | 74.4 | Confident | 149 Ų | 149 | 79.3 Ų | 79.3 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 177.8 | -169.8 | 178.4 | -179.5 | -178.5 | 0 | 111.9 | K87 S88 L89 T94 L95 | K87-K91 WeakPolarHBondContact O-CB 3.36Å; K87-K91 PolarHBondContact O-N 2.93Å; S88-K91 PolarHBondContact O-N 3.47Å; L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 2.87Å; K91-T94 WeakPolarHBondContact O-CB 3.4Å; K91-T94 PolarHBondContact O-N 2.84Å; K91-L95 WeakPolarHBondContact O-CG 3.39Å; K91-L95 PolarHBondContact O-N 3.01Å; K91-L95 VanDerWaalsContact O-N 3.1Å |
| 92 | E | 76.9 | Confident | 73.9 | Confident | 114 Ų | 114 | 79.8 Ų | 79.8 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.4 | -169.2 | 171.7 | -172.2 | 0 | 0 | 111.8 | S88 L89 T94 L95 L96 | S88-E92 PolarHBondContact O-N 3.04Å; L89-E92 PolarHBondContact O-N 3.37Å; E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 PolarHBondContact O-N 3.45Å; E92-L95 WeakPolarHBondContact O-CB 3.35Å; E92-L95 PolarHBondContact O-N 3.37Å; E92-L95 VanDerWaalsContact O-N 3.17Å; E92-L96 WeakPolarHBondContact O-CG 3.02Å; E92-L96 PolarHBondContact O-N 3.43Å |
| 93 | N | 72.4 | Confident | 73.5 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.064 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 174.6 | -117.1 | -29.6 | 0 | 0 | 0 | 112.7 | L89 I90 L95 L96 L97 Y156 | L89-N93 WeakPolarHBondContact O-CB 3.38Å; L89-N93 PolarHBondContact O-N 2.9Å; I90-N93 PolarHBondContact O-N 3.17Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L96 PolarHBondContact O-N 3.32Å; N93-L97 PolarHBondContact O-N 2.94Å; N93-Y156 WeakPolarHBondContact OD1-CE2 3.38Å |
| 94 | T | 71 | Confident | 73 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | I90 K91 E92 L96 L97 E98 | I90-T94 PolarHBondContact O-N 3.45Å; I90-T94 PolarHBondContact O-OG1 2.83Å; K91-T94 WeakPolarHBondContact O-CB 3.4Å; K91-T94 PolarHBondContact O-N 2.84Å; E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 PolarHBondContact O-N 3.45Å; T94-L96 VanDerWaalsContact C-N 3.34Å; T94-L96 PolarHBondContact O-N 3.02Å; T94-L97 WeakPolarHBondContact O-CB 3.37Å; T94-L97 PolarHBondContact O-N 3.38Å; T94-E98 WeakPolarHBondContact O-CG 3.27Å; T94-E98 PolarHBondContact O-N 3.04Å |
| 95 | L | 75 | Confident | 72.2 | Confident | 93 Ų | 93 | 80.7 Ų | 80.7 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 174.6 | -69.1 | 169.3 | 0 | 0 | 0 | 112.2 | K91 E92 N93 E98 L99 | K91-L95 WeakPolarHBondContact O-CG 3.39Å; K91-L95 PolarHBondContact O-N 3.01Å; K91-L95 VanDerWaalsContact O-N 3.1Å; E92-L95 WeakPolarHBondContact O-CB 3.35Å; E92-L95 PolarHBondContact O-N 3.37Å; E92-L95 VanDerWaalsContact O-N 3.17Å; N93-L95 VanDerWaalsContact C-N 3.34Å; L95-E98 PolarHBondContact O-N 3.06Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 3.25Å; L95-L99 VanDerWaalsContact O-N 3.12Å |
| 96 | L | 70.3 | Confident | 71.7 | Confident | 89 Ų | 89 | 85 Ų | 85 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.2 | -69.8 | 173 | 0 | 0 | 0 | 112.1 | E92 N93 T94 L99 E100 | E92-L96 WeakPolarHBondContact O-CG 3.02Å; E92-L96 PolarHBondContact O-N 3.43Å; N93-L96 PolarHBondContact O-N 3.32Å; T94-L96 VanDerWaalsContact C-N 3.34Å; T94-L96 PolarHBondContact O-N 3.02Å; L96-L99 PolarHBondContact O-N 3.4Å; L96-E100 PolarHBondContact O-N 3Å |
| 97 | L | 68.8 | Low | 71.4 | Confident | 64 Ų | 64 | 85.6 Ų | 85.6 | 34% | 0.335 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 172.2 | -92.2 | 166.3 | 0 | 0 | 0 | 112.6 | N93 T94 L99 E100 Y156 | N93-L97 PolarHBondContact O-N 2.94Å; T94-L97 WeakPolarHBondContact O-CB 3.37Å; T94-L97 PolarHBondContact O-N 3.38Å; L97-L99 PolarHBondContact O-N 3.05Å; L97-E100 VanDerWaalsContact O-CB 3.32Å; L97-E100 WeakPolarHBondContact O-CB 3.38Å; L97-E100 PolarHBondContact O-N 3.37Å; L97-E100 VanDerWaalsContact O-N 3.11Å; L97-Y156 WeakPolarHBondContact CD1-OH 3.49Å; L97-Y156 VanDerWaalsContact CD2-OH 3.31Å; L97-Y156 WeakPolarHBondContact CD2-OH 3.42Å; L97-Y156 WeakPolarHBondContact CG-OH 3.47Å |
| 98 | E | 72.7 | Confident | 71.1 | Confident | 128 Ų | 128 | 85.5 Ų | 85.5 | 60% | 0.598 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.3 | -27.6 | 178.6 | -73.3 | 178.8 | 177.3 | 0 | 0 | 112.1 | T94 L95 P102 | T94-E98 WeakPolarHBondContact O-CG 3.27Å; T94-E98 PolarHBondContact O-N 3.04Å; L95-E98 PolarHBondContact O-N 3.06Å; E98-P102 WeakPolarHBondContact O-CD 3.43Å; E98-P102 WeakPolarHBondContact O-CG 3.04Å |
| 99 | L | 71 | Confident | 70.8 | Confident | 94 Ų | 94 | 86 Ų | 86 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -78.6 | -23.9 | 175 | -70.3 | 169 | 0 | 0 | 0 | 113.6 | L95 L96 L97 G101 P102 I103 | L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 3.25Å; L95-L99 VanDerWaalsContact O-N 3.12Å; L96-L99 PolarHBondContact O-N 3.4Å; L97-L99 PolarHBondContact O-N 3.05Å; L99-G101 PolarHBondContact O-N 3.19Å; L99-P102 WeakPolarHBondContact O-CD 3.4Å; L99-I103 HydrophobicContact CB-CD1 4.27Å; L99-I103 WeakPolarHBondContact O-CB 3.42Å; L99-I103 WeakPolarHBondContact O-CD1 3.5Å; L99-I103 WeakPolarHBondContact O-CG1 3.47Å; L99-I103 PolarHBondContact O-N 2.93Å |
| 100 | E | 68.3 | Low | 70.6 | Confident | 65 Ų | 65 | 87.2 Ų | 87.2 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | -179.8 | -167.6 | -173.6 | 172.3 | 0 | 0 | 111.6 | L96 L97 I103 S104 F153 | L96-E100 PolarHBondContact O-N 3Å; L97-E100 VanDerWaalsContact O-CB 3.32Å; L97-E100 WeakPolarHBondContact O-CB 3.38Å; L97-E100 PolarHBondContact O-N 3.37Å; L97-E100 VanDerWaalsContact O-N 3.11Å; E100-I103 PolarHBondContact O-N 3.13Å; E100-S104 WeakPolarHBondContact O-CB 3.44Å; E100-S104 PolarHBondContact O-N 2.86Å; E100-F153 WeakPolarHBondContact OE1-CE2 3.39Å |
| 101 | G | 67.9 | Low | 70.6 | Confident | 32 Ų | 32 | 88 Ų | 88 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -49.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L99 R105 | L99-G101 PolarHBondContact O-N 3.19Å; G101-R105 WeakPolarHBondContact O-CB 3.3Å; G101-R105 WeakPolarHBondContact O-CG 3.18Å; G101-R105 PolarHBondContact O-N 2.81Å |
| 102 | P | 69 | Low | 70.2 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 42% | 0.416 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 173.6 | -25.6 | 33.4 | 0 | 0 | 0 | 113.5 | E98 L99 R106 | E98-P102 WeakPolarHBondContact O-CD 3.43Å; E98-P102 WeakPolarHBondContact O-CG 3.04Å; L99-P102 WeakPolarHBondContact O-CD 3.4Å; P102-R106 WeakPolarHBondContact O-CB 3.46Å; P102-R106 PolarHBondContact O-N 3.36Å |
| 103 | I | 67.7 | Low | 70 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 41% | 0.405 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 178.3 | -69.2 | 169.5 | 0 | 0 | 0 | 109.8 | L99 E100 R105 R106 L107 Y149 | L99-I103 HydrophobicContact CB-CD1 4.27Å; L99-I103 WeakPolarHBondContact O-CB 3.42Å; L99-I103 WeakPolarHBondContact O-CD1 3.5Å; L99-I103 WeakPolarHBondContact O-CG1 3.47Å; L99-I103 PolarHBondContact O-N 2.93Å; E100-I103 PolarHBondContact O-N 3.13Å; I103-R105 PolarHBondContact O-N 3.4Å; I103-R106 PolarHBondContact O-N 3.47Å; I103-R106 VanDerWaalsContact O-N 3.11Å; I103-L107 PolarHBondContact O-N 3.44Å; I103-Y149 HydrophobicContact CG2-CE2 4.14Å |
| 104 | S | 65.6 | Low | 69.6 | Low | 46 Ų | 46 | 85 Ų | 85 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 179.1 | -159.5 | 0 | 0 | 0 | 0 | 111.8 | E100 R106 L107 D108 | E100-S104 WeakPolarHBondContact O-CB 3.44Å; E100-S104 PolarHBondContact O-N 2.86Å; S104-R106 VanDerWaalsContact C-N 3.3Å; S104-R106 PolarHBondContact O-N 3.21Å; S104-L107 VanDerWaalsContact O-CB 3.22Å; S104-L107 WeakPolarHBondContact O-CB 3.4Å; S104-L107 PolarHBondContact O-N 3.48Å; S104-D108 PolarHBondContact O-N 3.05Å |
| 105 | R | 65.8 | Low | 69.8 | Low | 175 Ų | 175 | 88.8 Ų | 88.8 | 66% | 0.66 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.6 | -38.2 | 174.6 | -83.1 | -174.9 | -91.3 | 175.9 | -9.9 | 112.6 | G101 I103 L107 D108 C109 | G101-R105 WeakPolarHBondContact O-CB 3.3Å; G101-R105 WeakPolarHBondContact O-CG 3.18Å; G101-R105 PolarHBondContact O-N 2.81Å; I103-R105 PolarHBondContact O-N 3.4Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-D108 PolarHBondContact O-N 3.49Å; R105-C109 PolarHBondContact O-N 3.3Å; R105-C109 PolarHBondContact O-SG 3.22Å |
| 106 | R | 67.7 | Low | 69.8 | Low | 196 Ų | 196 | 92 Ų | 92 | 74% | 0.74 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.2 | -35 | 178.8 | -155.3 | 149.6 | -174.6 | 169.7 | -1.8 | 111.8 | P102 I103 S104 C109 L110 | P102-R106 WeakPolarHBondContact O-CB 3.46Å; P102-R106 PolarHBondContact O-N 3.36Å; I103-R106 PolarHBondContact O-N 3.47Å; I103-R106 VanDerWaalsContact O-N 3.11Å; S104-R106 VanDerWaalsContact C-N 3.3Å; S104-R106 PolarHBondContact O-N 3.21Å; R106-C109 PolarHBondContact O-N 2.92Å; R106-L110 WeakPolarHBondContact O-CB 3.46Å; R106-L110 PolarHBondContact O-N 2.99Å |
| 107 | L | 65.8 | Low | 69.7 | Low | 32 Ų | 32 | 95.1 Ų | 95.1 | 17% | 0.168 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 170.8 | -122.2 | 163.2 | 0 | 0 | 0 | 111.5 | I103 S104 R105 C109 L110 N111 W145 Y149 | I103-L107 PolarHBondContact O-N 3.44Å; S104-L107 VanDerWaalsContact O-CB 3.22Å; S104-L107 WeakPolarHBondContact O-CB 3.4Å; S104-L107 PolarHBondContact O-N 3.48Å; R105-L107 VanDerWaalsContact C-N 3.34Å; L107-C109 VanDerWaalsContact C-N 3.35Å; L107-C109 PolarHBondContact O-N 3.34Å; L107-L110 PolarHBondContact O-N 3.38Å; L107-N111 WeakPolarHBondContact O-CB 3.38Å; L107-N111 PolarHBondContact O-N 3.29Å; L107-W145 HydrophobicContact CD1-CE3 3.67Å; L107-W145 HydrophobicContact CD1-CH2 4.47Å; L107-W145 HydrophobicContact CD1-CZ3 3.31Å; L107-W145 HydrophobicContact CD2-CE3 3.84Å; L107-W145 HydrophobicContact CD2-CZ3 4.11Å; L107-W145 HydrophobicContact CG-CE3 3.73Å; L107-W145 HydrophobicContact CG-CH2 4.4Å; L107-W145 HydrophobicContact CG-CZ3 3.45Å; L107-W145 VanDerWaalsContact CG-CZ3 3.45Å; L107-Y149 HydrophobicContact CD1-CD2 4.01Å; L107-Y149 HydrophobicContact CD1-CE2 4.14Å |
| 108 | D | 71.6 | Confident | 69.7 | Low | 99 Ų | 99 | 94.3 Ų | 94.3 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.2 | -70.5 | -27.2 | 0 | 0 | 0 | 111.6 | S104 R105 N111 A112 | S104-D108 PolarHBondContact O-N 3.05Å; R105-D108 PolarHBondContact O-N 3.49Å; D108-N111 PolarHBondContact O-N 3.19Å; D108-A112 WeakPolarHBondContact O-CB 3.15Å; D108-A112 PolarHBondContact O-N 3.08Å |
| 109 | C | 71.6 | Confident | 69.7 | Low | 86 Ų | 86 | 93 Ų | 93 | 58% | 0.581 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 174.7 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | R105 R106 L107 A112 E113 | R105-C109 PolarHBondContact O-N 3.3Å; R105-C109 PolarHBondContact O-SG 3.22Å; R106-C109 PolarHBondContact O-N 2.92Å; L107-C109 VanDerWaalsContact C-N 3.35Å; L107-C109 PolarHBondContact O-N 3.34Å; C109-A112 PolarHBondContact O-N 2.81Å; C109-E113 WeakPolarHBondContact O-CB 3.44Å; C109-E113 PolarHBondContact O-N 3Å |
| 110 | L | 69.8 | Low | 69.6 | Low | 95 Ų | 95 | 92.7 Ų | 92.7 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.8 | -86.6 | 162.6 | 0 | 0 | 0 | 111.4 | R106 L107 E113 R114 | R106-L110 WeakPolarHBondContact O-CB 3.46Å; R106-L110 PolarHBondContact O-N 2.99Å; L107-L110 PolarHBondContact O-N 3.38Å; L110-E113 PolarHBondContact O-N 3.46Å; L110-R114 WeakPolarHBondContact O-CB 3.41Å; L110-R114 PolarHBondContact O-N 3.29Å |
| 111 | N | 71.8 | Confident | 69.3 | Low | 72 Ų | 72 | 91.2 Ų | 91.2 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 177 | -82 | -25.6 | 0 | 0 | 0 | 112.2 | L107 D108 R114 K115 | L107-N111 WeakPolarHBondContact O-CB 3.38Å; L107-N111 PolarHBondContact O-N 3.29Å; D108-N111 PolarHBondContact O-N 3.19Å; N111-R114 WeakPolarHBondContact O-CB 3.41Å; N111-R114 PolarHBondContact O-N 2.94Å; N111-K115 WeakPolarHBondContact O-CB 3.38Å; N111-K115 PolarHBondContact O-N 3Å |
| 112 | A | 72.5 | Confident | 68.9 | Low | 51 Ų | 51 | 99.9 Ų | 99.9 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D108 C109 K115 R116 | D108-A112 WeakPolarHBondContact O-CB 3.15Å; D108-A112 PolarHBondContact O-N 3.08Å; C109-A112 PolarHBondContact O-N 2.81Å; A112-K115 PolarHBondContact O-N 3.28Å; A112-R116 PolarHBondContact O-N 3.31Å |
| 113 | E | 72.8 | Confident | 68.7 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 176.8 | -155.6 | -177.4 | -128.6 | 0 | 0 | 111.4 | C109 L110 R116 R117 | C109-E113 WeakPolarHBondContact O-CB 3.44Å; C109-E113 PolarHBondContact O-N 3Å; L110-E113 PolarHBondContact O-N 3.46Å; E113-R116 WeakPolarHBondContact O-CB 3.5Å; E113-R116 PolarHBondContact O-N 2.92Å; E113-R117 WeakPolarHBondContact O-CG 3.32Å; E113-R117 PolarHBondContact O-N 3.05Å; E113-R117 IonicContact OE2-CZ 3.99Å; E113-R117 IonicContact OE2-NH2 2.83Å; E113-R117 PolarHBondContact OE2-NH2 3.42Å |
| 114 | R | 65.6 | Low | 68.2 | Low | 65 Ų | 65 | 105.2 Ų | 105.2 | 25% | 0.245 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 172.5 | -129.4 | 178.6 | -170.6 | 167 | 4.8 | 111.9 | L110 N111 R116 R117 A118 S138 E141 | L110-R114 WeakPolarHBondContact O-CB 3.41Å; L110-R114 PolarHBondContact O-N 3.29Å; N111-R114 WeakPolarHBondContact O-CB 3.41Å; N111-R114 PolarHBondContact O-N 2.94Å; R114-R116 VanDerWaalsContact C-N 3.29Å; R114-R116 PolarHBondContact O-N 2.92Å; R114-R117 PolarHBondContact O-N 3.24Å; R114-A118 PolarHBondContact O-N 3.18Å; R114-S138 WeakPolarHBondContact CD-OG 3.35Å; R114-S138 PolarHBondContact NE-OG 3.01Å; R114-S138 PolarHBondContact NH1-O 2.95Å; R114-S138 PolarHBondContact NH2-O 2.77Å; R114-E141 IonicContact CZ-OE2 2.77Å; R114-E141 IonicContact NH2-OE2 2.95Å; R114-E141 PolarHBondContact NH2-OE2 3.03Å |
| 115 | K | 75.1 | Confident | 67.7 | Low | 144 Ų | 144 | 112.8 Ų | 112.8 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 177.8 | -159.9 | 175.3 | -177.1 | -179.6 | 0 | 110.9 | N111 A112 A118 E119 | N111-K115 WeakPolarHBondContact O-CB 3.38Å; N111-K115 PolarHBondContact O-N 3Å; A112-K115 PolarHBondContact O-N 3.28Å; K115-A118 PolarHBondContact O-N 3.09Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 2.98Å |
| 116 | R | 73.3 | Confident | 67.3 | Low | 161 Ų | 161 | 106.9 Ų | 106.9 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -47.4 | 174.7 | -130 | -174.4 | -72.2 | 176.8 | -3.3 | 112.4 | A112 E113 R114 A118 E119 D120 | A112-R116 PolarHBondContact O-N 3.31Å; E113-R116 WeakPolarHBondContact O-CB 3.5Å; E113-R116 PolarHBondContact O-N 2.92Å; R114-R116 VanDerWaalsContact C-N 3.29Å; R114-R116 PolarHBondContact O-N 2.92Å; R116-A118 VanDerWaalsContact C-N 3.33Å; R116-A118 PolarHBondContact O-N 3.36Å; R116-E119 PolarHBondContact O-N 3.4Å; R116-D120 PolarHBondContact O-N 3.34Å |
| 117 | R | 69.9 | Low | 67.1 | Low | 154 Ų | 154 | 103.2 Ų | 103.2 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -37.6 | 176.7 | -69.3 | -174.4 | -137.5 | 167.7 | 4.2 | 112.6 | E113 R114 S121 | E113-R117 WeakPolarHBondContact O-CG 3.32Å; E113-R117 PolarHBondContact O-N 3.05Å; E113-R117 IonicContact OE2-CZ 3.99Å; E113-R117 IonicContact OE2-NH2 2.83Å; E113-R117 PolarHBondContact OE2-NH2 3.42Å; R114-R117 PolarHBondContact O-N 3.24Å; R117-S121 WeakPolarHBondContact O-CB 3.37Å; R117-S121 PolarHBondContact O-N 3.1Å |
| 118 | A | 68.8 | Low | 67 | Low | 47 Ų | 47 | 105.2 Ų | 105.2 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R114 K115 R116 R122 | R114-A118 PolarHBondContact O-N 3.18Å; K115-A118 PolarHBondContact O-N 3.09Å; R116-A118 VanDerWaalsContact C-N 3.33Å; R116-A118 PolarHBondContact O-N 3.36Å; A118-R122 PolarHBondContact O-N 3.03Å |
| 119 | E | 72 | Confident | 67 | Low | 102 Ų | 102 | 104.9 Ų | 104.9 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 174.5 | -77.4 | 168.5 | -175.7 | 0 | 0 | 112.7 | K115 R116 R122 | K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 2.98Å; R116-E119 PolarHBondContact O-N 3.4Å; E119-R122 WeakPolarHBondContact O-CB 3.44Å; E119-R122 PolarHBondContact O-N 2.88Å |
| 120 | D | 68.2 | Low | 66.7 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 176.2 | -72.5 | -27.2 | 0 | 0 | 0 | 111.6 | R116 R122 K123 | R116-D120 PolarHBondContact O-N 3.34Å; D120-R122 VanDerWaalsContact C-N 3.25Å; D120-R122 PolarHBondContact O-N 3.27Å; D120-K123 WeakPolarHBondContact O-CB 3.33Å; D120-K123 PolarHBondContact O-N 2.69Å; D120-K123 IonicContact OD1-NZ 2.72Å |
| 121 | S | 62.8 | Low | 66.4 | Low | 34 Ų | 34 | 103.7 Ų | 103.7 | 24% | 0.238 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -54.7 | -40.3 | 170.1 | 160.2 | 0 | 0 | 0 | 0 | 111.6 | R117 K123 T124 K131 | R117-S121 WeakPolarHBondContact O-CB 3.37Å; R117-S121 PolarHBondContact O-N 3.1Å; S121-K123 PolarHBondContact O-N 3.11Å; S121-T124 PolarHBondContact O-N 3.09Å; S121-T124 PolarHBondContact O-OG1 3.06Å; S121-K131 WeakPolarHBondContact O-CE 3.47Å; S121-K131 PolarHBondContact O-NZ 3.33Å; S121-K131 VanDerWaalsContact OG-CD 3.32Å; S121-K131 WeakPolarHBondContact OG-CD 3.4Å; S121-K131 WeakPolarHBondContact OG-CG 3.45Å |
| 122 | R | 58.8 | Low | 66.3 | Low | 215 Ų | 215 | 105.3 Ų | 105.3 | 81% | 0.811 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.9 | -28.1 | 175.8 | -93.4 | -176.6 | -178.9 | -173.8 | 1.3 | 113.7 | A118 E119 D120 | A118-R122 PolarHBondContact O-N 3.03Å; E119-R122 WeakPolarHBondContact O-CB 3.44Å; E119-R122 PolarHBondContact O-N 2.88Å; D120-R122 VanDerWaalsContact C-N 3.25Å; D120-R122 PolarHBondContact O-N 3.27Å |
| 123 | K | 64.8 | Low | 66.2 | Low | 167 Ų | 167 | 108.7 Ų | 108.7 | 73% | 0.726 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -83.4 | -20 | -176.6 | -65.5 | 175.8 | -175.7 | 162.6 | 0 | 114.4 | D120 S121 | D120-K123 WeakPolarHBondContact O-CB 3.33Å; D120-K123 PolarHBondContact O-N 2.69Å; D120-K123 IonicContact OD1-NZ 2.72Å; S121-K123 PolarHBondContact O-N 3.11Å |
| 124 | T | 58.2 | Low | 66.2 | Low | 87 Ų | 87 | 109.1 Ų | 109.1 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -99.2 | 125.8 | 178.5 | 44 | 0 | 0 | 0 | 0 | 110.9 | S121 S126 K131 | S121-T124 PolarHBondContact O-N 3.09Å; S121-T124 PolarHBondContact O-OG1 3.06Å; T124-S126 PolarHBondContact O-N 2.84Å; T124-K131 WeakPolarHBondContact O-CE 3.35Å; T124-K131 PolarHBondContact O-NZ 2.96Å |
| 125 | E | 55.4 | Low | 66.5 | Low | 206 Ų | 206 | 112.3 Ų | 112.3 | 96% | 0.963 | 55% | 0.55 | S | S | * | . | trans | -70.4 | 53.4 | -179.6 | -67.6 | -177.6 | 159 | 0 | 0 | 114.1 | ||||
| 126 | S | 55.6 | Low | 66.3 | Low | 50 Ų | 50 | 113.8 Ų | 113.8 | 35% | 0.35 | 55% | 0.552 | S | S | . | * | trans | -85.2 | 147.5 | 163.7 | 139.4 | 0 | 0 | 0 | 0 | 110.5 | T124 A128 E130 K131 | T124-S126 PolarHBondContact O-N 2.84Å; S126-A128 PolarHBondContact O-N 3.25Å; S126-E130 PolarHBondContact OG-OE2 3.46Å; S126-K131 VanDerWaalsContact O-CE 3.26Å; S126-K131 WeakPolarHBondContact O-CE 3.5Å | ||
| 127 | N | 64 | Low | 66.4 | Low | 119 Ų | 119 | 111.6 Ų | 111.6 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | trans | -45.8 | 123.7 | -170 | -147 | -3.9 | 0 | 0 | 0 | 112.1 | T129 E130 K131 | N127-T129 PolarHBondContact O-N 3.08Å; N127-E130 PolarHBondContact O-N 3.2Å; N127-K131 PolarHBondContact O-N 2.99Å | ||
| 128 | A | 64.9 | Low | 66.2 | Low | 74 Ų | 74 | 105.8 Ų | 105.8 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -54.9 | -28.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114 | S126 L132 | S126-A128 PolarHBondContact O-N 3.25Å; A128-L132 PolarHBondContact O-N 3.23Å; A128-L132 VanDerWaalsContact O-N 3.11Å |
| 129 | T | 70.2 | Confident | 66.2 | Low | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -39.4 | 175.3 | 16.9 | 0 | 0 | 0 | 0 | 113.6 | N127 L132 L133 | N127-T129 PolarHBondContact O-N 3.08Å; T129-L132 PolarHBondContact O-N 3.23Å; T129-L133 PolarHBondContact O-N 3Å |
| 130 | E | 67.1 | Low | 66 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -179.6 | -165.7 | 175.7 | -151.3 | 0 | 0 | 111 | S126 N127 L132 L133 L134 | S126-E130 PolarHBondContact OG-OE2 3.46Å; N127-E130 PolarHBondContact O-N 3.2Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.23Å; E130-L133 PolarHBondContact O-N 2.95Å; E130-L134 WeakPolarHBondContact O-CG 3.46Å; E130-L134 PolarHBondContact O-N 3.17Å |
| 131 | K | 63.5 | Low | 66.1 | Low | 43 Ų | 43 | 110.8 Ų | 110.8 | 19% | 0.187 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 172.2 | -63.6 | -173.5 | -172.8 | 173.7 | 0 | 112.6 | S121 T124 S126 N127 Y135 | S121-K131 WeakPolarHBondContact O-CE 3.47Å; S121-K131 PolarHBondContact O-NZ 3.33Å; S121-K131 VanDerWaalsContact OG-CD 3.32Å; S121-K131 WeakPolarHBondContact OG-CD 3.4Å; S121-K131 WeakPolarHBondContact OG-CG 3.45Å; T124-K131 WeakPolarHBondContact O-CE 3.35Å; T124-K131 PolarHBondContact O-NZ 2.96Å; S126-K131 VanDerWaalsContact O-CE 3.26Å; S126-K131 WeakPolarHBondContact O-CE 3.5Å; N127-K131 PolarHBondContact O-N 2.99Å; K131-Y135 WeakPolarHBondContact O-CB 3.42Å; K131-Y135 PolarHBondContact O-N 3.41Å |
| 132 | L | 67.9 | Low | 66 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -45.9 | 177 | -139.7 | 106 | 0 | 0 | 0 | 110.1 | A128 T129 E130 L134 Y135 W136 | A128-L132 PolarHBondContact O-N 3.23Å; A128-L132 VanDerWaalsContact O-N 3.11Å; T129-L132 PolarHBondContact O-N 3.23Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.23Å; L132-L134 PolarHBondContact O-N 2.82Å; L132-Y135 WeakPolarHBondContact O-CB 3.5Å; L132-Y135 PolarHBondContact O-N 3.07Å; L132-W136 PolarHBondContact O-N 2.62Å |
| 133 | L | 71.8 | Confident | 66.4 | Low | 122 Ų | 122 | 105.4 Ų | 105.4 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -45.7 | 177.4 | -80.1 | 163.3 | 0 | 0 | 0 | 112.4 | T129 E130 Y135 W136 Q137 | T129-L133 PolarHBondContact O-N 3Å; E130-L133 PolarHBondContact O-N 2.95Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 3.37Å; L133-W136 PolarHBondContact O-N 3.09Å; L133-Q137 WeakPolarHBondContact O-CB 3.39Å; L133-Q137 PolarHBondContact O-N 3.49Å |
| 134 | L | 71.9 | Confident | 66.6 | Low | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 174.9 | -76.7 | 167.7 | 0 | 0 | 0 | 112.3 | E130 L132 S138 | E130-L134 WeakPolarHBondContact O-CG 3.46Å; E130-L134 PolarHBondContact O-N 3.17Å; L132-L134 PolarHBondContact O-N 2.82Å; L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.01Å |
| 135 | Y | 72.3 | Confident | 66.8 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 175 | 177.4 | -93.5 | 0 | 0 | 0 | 111.7 | K131 L132 L133 S138 H139 | K131-Y135 WeakPolarHBondContact O-CB 3.42Å; K131-Y135 PolarHBondContact O-N 3.41Å; L132-Y135 WeakPolarHBondContact O-CB 3.5Å; L132-Y135 PolarHBondContact O-N 3.07Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 3.37Å; Y135-S138 WeakPolarHBondContact O-CB 3.44Å; Y135-S138 PolarHBondContact O-N 3.31Å; Y135-H139 AromaticContact CE1-CD2 4Å; Y135-H139 AromaticContact CZ-CD2 3.84Å; Y135-H139 WeakPolarHBondContact O-CB 3.29Å; Y135-H139 PolarHBondContact O-N 2.88Å |
| 136 | W | 70.9 | Confident | 67.3 | Low | 175 Ų | 175 | 98.4 Ų | 98.4 | 66% | 0.663 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | -179.5 | -83.4 | 82 | 0 | 0 | 0 | 112.3 | L132 L133 S138 H139 Y140 | L132-W136 PolarHBondContact O-N 2.62Å; L133-W136 PolarHBondContact O-N 3.09Å; W136-S138 VanDerWaalsContact C-N 3.35Å; W136-H139 PolarHBondContact O-N 3.21Å; W136-Y140 WeakPolarHBondContact O-CB 3.5Å; W136-Y140 PolarHBondContact O-N 3.35Å |
| 137 | Q | 76.4 | Confident | 67.9 | Low | 115 Ų | 115 | 105.4 Ų | 105.4 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 174.7 | -174.5 | 174.6 | -5.5 | 0 | 0 | 111.2 | L133 H139 Y140 E141 | L133-Q137 WeakPolarHBondContact O-CB 3.39Å; L133-Q137 PolarHBondContact O-N 3.49Å; Q137-H139 VanDerWaalsContact C-N 3.32Å; Q137-H139 PolarHBondContact O-N 3.49Å; Q137-Y140 PolarHBondContact O-N 3.49Å; Q137-E141 PolarHBondContact O-N 3.26Å |
| 138 | S | 65.7 | Low | 68 | Low | 33 Ų | 33 | 105.6 Ų | 105.6 | 23% | 0.231 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 173.4 | 155.8 | 0 | 0 | 0 | 0 | 112.3 | R114 L134 Y135 W136 Y140 A142 | R114-S138 WeakPolarHBondContact CD-OG 3.35Å; R114-S138 PolarHBondContact NE-OG 3.01Å; R114-S138 PolarHBondContact NH1-O 2.95Å; R114-S138 PolarHBondContact NH2-O 2.77Å; L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.01Å; Y135-S138 WeakPolarHBondContact O-CB 3.44Å; Y135-S138 PolarHBondContact O-N 3.31Å; W136-S138 VanDerWaalsContact C-N 3.35Å; S138-Y140 VanDerWaalsContact C-N 3.32Å; S138-Y140 PolarHBondContact O-N 3.38Å; S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 3.39Å |
| 139 | H | 68.5 | Low | 68 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 43% | 0.431 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -34.2 | -179.1 | -151.9 | -56.3 | 0 | 0 | 0 | 111.9 | Y135 W136 Q137 L143 | Y135-H139 AromaticContact CE1-CD2 4Å; Y135-H139 AromaticContact CZ-CD2 3.84Å; Y135-H139 WeakPolarHBondContact O-CB 3.29Å; Y135-H139 PolarHBondContact O-N 2.88Å; W136-H139 PolarHBondContact O-N 3.21Å; Q137-H139 VanDerWaalsContact C-N 3.32Å; Q137-H139 PolarHBondContact O-N 3.49Å; H139-L143 WeakPolarHBondContact O-CB 3.37Å; H139-L143 PolarHBondContact O-N 2.94Å; H139-L143 VanDerWaalsContact O-N 3.1Å |
| 140 | Y | 67.2 | Low | 68.1 | Low | 156 Ų | 156 | 107 Ų | 107 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.6 | -50 | 175.4 | -155.8 | -85.3 | 0 | 0 | 0 | 111.1 | W136 Q137 S138 A142 L143 E144 | W136-Y140 WeakPolarHBondContact O-CB 3.5Å; W136-Y140 PolarHBondContact O-N 3.35Å; Q137-Y140 PolarHBondContact O-N 3.49Å; S138-Y140 VanDerWaalsContact C-N 3.32Å; S138-Y140 PolarHBondContact O-N 3.38Å; Y140-A142 VanDerWaalsContact C-N 3.28Å; Y140-A142 PolarHBondContact O-N 3.19Å; Y140-L143 WeakPolarHBondContact O-CB 3.43Å; Y140-L143 PolarHBondContact O-N 3.1Å; Y140-E144 WeakPolarHBondContact CE1-OE2 3.41Å; Y140-E144 WeakPolarHBondContact O-CB 3.5Å; Y140-E144 PolarHBondContact O-N 3.38Å |
| 141 | E | 69.7 | Low | 68.2 | Low | 91 Ų | 91 | 105.2 Ų | 105.2 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 177.1 | -76.4 | 174.2 | -164.8 | 0 | 0 | 112.1 | R114 Q137 W145 | R114-E141 IonicContact CZ-OE2 2.77Å; R114-E141 IonicContact NH2-OE2 2.95Å; R114-E141 PolarHBondContact NH2-OE2 3.03Å; Q137-E141 PolarHBondContact O-N 3.26Å; E141-W145 WeakPolarHBondContact O-CB 3.42Å; E141-W145 PolarHBondContact O-N 3.25Å |
| 142 | A | 61.7 | Low | 68.2 | Low | 26 Ų | 26 | 105.9 Ų | 105.9 | 22% | 0.215 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | S138 Y140 E144 W145 T146 | S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 3.39Å; Y140-A142 VanDerWaalsContact C-N 3.28Å; Y140-A142 PolarHBondContact O-N 3.19Å; A142-E144 VanDerWaalsContact C-N 3.34Å; A142-W145 PolarHBondContact O-N 3.13Å; A142-T146 WeakPolarHBondContact O-CB 3.45Å; A142-T146 PolarHBondContact O-N 3.36Å; A142-T146 PolarHBondContact O-OG1 2.93Å |
| 143 | L | 66.8 | Low | 68.3 | Low | 109 Ų | 109 | 104.9 Ų | 104.9 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 177.5 | -115.9 | 149.6 | 0 | 0 | 0 | 111.9 | H139 Y140 T146 R147 | H139-L143 WeakPolarHBondContact O-CB 3.37Å; H139-L143 PolarHBondContact O-N 2.94Å; H139-L143 VanDerWaalsContact O-N 3.1Å; Y140-L143 WeakPolarHBondContact O-CB 3.43Å; Y140-L143 PolarHBondContact O-N 3.1Å; L143-T146 PolarHBondContact O-N 3.16Å; L143-R147 WeakPolarHBondContact O-CB 3.47Å; L143-R147 PolarHBondContact O-N 3.5Å |
| 144 | E | 68.8 | Low | 68.4 | Low | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 178.6 | -155 | 147.9 | -147.7 | 0 | 0 | 110.8 | Y140 A142 T146 R147 E148 | Y140-E144 WeakPolarHBondContact CE1-OE2 3.41Å; Y140-E144 WeakPolarHBondContact O-CB 3.5Å; Y140-E144 PolarHBondContact O-N 3.38Å; A142-E144 VanDerWaalsContact C-N 3.34Å; E144-T146 VanDerWaalsContact C-N 3.33Å; E144-T146 PolarHBondContact O-N 3.15Å; E144-R147 WeakPolarHBondContact O-CB 3.45Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-E148 WeakPolarHBondContact O-CG 3.4Å; E144-E148 PolarHBondContact O-N 2.69Å |
| 145 | W | 63.6 | Low | 68.4 | Low | 127 Ų | 127 | 105.5 Ų | 105.5 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 172.4 | -119.9 | 73.2 | 0 | 0 | 0 | 113.1 | L107 E141 A142 R147 E148 Y149 | L107-W145 HydrophobicContact CD1-CE3 3.67Å; L107-W145 HydrophobicContact CD1-CH2 4.47Å; L107-W145 HydrophobicContact CD1-CZ3 3.31Å; L107-W145 HydrophobicContact CD2-CE3 3.84Å; L107-W145 HydrophobicContact CD2-CZ3 4.11Å; L107-W145 HydrophobicContact CG-CE3 3.73Å; L107-W145 HydrophobicContact CG-CH2 4.4Å; L107-W145 HydrophobicContact CG-CZ3 3.45Å; L107-W145 VanDerWaalsContact CG-CZ3 3.45Å; E141-W145 WeakPolarHBondContact O-CB 3.42Å; E141-W145 PolarHBondContact O-N 3.25Å; A142-W145 PolarHBondContact O-N 3.13Å; W145-R147 VanDerWaalsContact C-N 3.3Å; W145-R147 PolarHBondContact O-N 2.88Å; W145-E148 PolarHBondContact O-N 3.11Å; W145-Y149 WeakPolarHBondContact O-CB 3.43Å; W145-Y149 PolarHBondContact O-N 3.37Å |
| 146 | T | 65.8 | Low | 68.3 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.4 | -33.8 | -179.7 | -43.3 | 0 | 0 | 0 | 0 | 110.7 | A142 L143 E144 K150 | A142-T146 WeakPolarHBondContact O-CB 3.45Å; A142-T146 PolarHBondContact O-N 3.36Å; A142-T146 PolarHBondContact O-OG1 2.93Å; L143-T146 PolarHBondContact O-N 3.16Å; E144-T146 VanDerWaalsContact C-N 3.33Å; E144-T146 PolarHBondContact O-N 3.15Å; T146-K150 VanDerWaalsContact O-CB 3.29Å; T146-K150 WeakPolarHBondContact O-CB 3.47Å; T146-K150 PolarHBondContact O-N 2.97Å |
| 147 | R | 67.5 | Low | 68.4 | Low | 197 Ų | 197 | 97.6 Ų | 97.6 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.3 | -44.9 | 174.1 | -174 | -176.8 | 134.3 | 166.1 | -3.6 | 111.6 | L143 E144 W145 K150 S151 | L143-R147 WeakPolarHBondContact O-CB 3.47Å; L143-R147 PolarHBondContact O-N 3.5Å; E144-R147 WeakPolarHBondContact O-CB 3.45Å; E144-R147 PolarHBondContact O-N 3.4Å; W145-R147 VanDerWaalsContact C-N 3.3Å; W145-R147 PolarHBondContact O-N 2.88Å; R147-K150 PolarHBondContact O-N 3.11Å; R147-S151 PolarHBondContact O-N 3.35Å |
| 148 | E | 65.4 | Low | 68.2 | Low | 122 Ų | 122 | 96.9 Ų | 96.9 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 174.9 | -71 | -179 | 176.2 | 0 | 0 | 111.4 | E144 W145 S151 A152 | E144-E148 WeakPolarHBondContact O-CG 3.4Å; E144-E148 PolarHBondContact O-N 2.69Å; W145-E148 PolarHBondContact O-N 3.11Å; E148-S151 WeakPolarHBondContact O-CB 3.44Å; E148-S151 PolarHBondContact O-N 3.26Å; E148-A152 PolarHBondContact O-N 3.01Å |
| 149 | Y | 65.1 | Low | 68.5 | Low | 67 Ų | 67 | 98.2 Ų | 98.2 | 26% | 0.263 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.3 | -164.4 | -89.9 | 0 | 0 | 0 | 112.1 | I103 L107 W145 S151 A152 F153 | I103-Y149 HydrophobicContact CG2-CE2 4.14Å; L107-Y149 HydrophobicContact CD1-CD2 4.01Å; L107-Y149 HydrophobicContact CD1-CE2 4.14Å; W145-Y149 WeakPolarHBondContact O-CB 3.43Å; W145-Y149 PolarHBondContact O-N 3.37Å; Y149-S151 VanDerWaalsContact C-N 3.33Å; Y149-S151 PolarHBondContact O-N 3.48Å; Y149-A152 PolarHBondContact O-N 2.86Å; Y149-F153 HydrophobicContact CE1-CD2 4.46Å; Y149-F153 WeakPolarHBondContact O-CB 3.24Å; Y149-F153 PolarHBondContact O-N 3.42Å |
| 150 | K | 73.2 | Confident | 68.7 | Low | 130 Ų | 130 | 98.1 Ų | 98.1 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61 | -42.6 | 175.5 | -176.3 | 175.3 | 175.8 | 179.9 | 0 | 111.5 | T146 R147 F153 E154 | T146-K150 VanDerWaalsContact O-CB 3.29Å; T146-K150 WeakPolarHBondContact O-CB 3.47Å; T146-K150 PolarHBondContact O-N 2.97Å; R147-K150 PolarHBondContact O-N 3.11Å; K150-F153 PolarHBondContact O-N 2.9Å; K150-E154 WeakPolarHBondContact CE-OE1 3.23Å; K150-E154 IonicContact NZ-OE1 2.93Å; K150-E154 WeakPolarHBondContact O-CB 3.28Å; K150-E154 WeakPolarHBondContact O-CG 3.41Å; K150-E154 PolarHBondContact O-N 3.42Å |
| 151 | S | 68.1 | Low | 69.4 | Low | 74 Ų | 74 | 96.5 Ų | 96.5 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | R147 E148 Y149 M155 | R147-S151 PolarHBondContact O-N 3.35Å; E148-S151 WeakPolarHBondContact O-CB 3.44Å; E148-S151 PolarHBondContact O-N 3.26Å; Y149-S151 VanDerWaalsContact C-N 3.33Å; Y149-S151 PolarHBondContact O-N 3.48Å; S151-M155 WeakPolarHBondContact O-CB 3.45Å; S151-M155 PolarHBondContact O-N 3.14Å |
| 152 | A | 63.6 | Low | 69.7 | Low | 58 Ų | 58 | 97.6 Ų | 97.6 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E148 Y149 M155 Y156 | E148-A152 PolarHBondContact O-N 3.01Å; Y149-A152 PolarHBondContact O-N 2.86Å; A152-M155 PolarHBondContact O-N 3.21Å; A152-Y156 WeakPolarHBondContact O-CB 3.5Å; A152-Y156 PolarHBondContact O-N 3.02Å |
| 153 | F | 69.8 | Low | 70.3 | Confident | 85 Ų | 85 | 97 Ų | 97 | 37% | 0.373 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 178.5 | -165.9 | -92.1 | 0 | 0 | 0 | 112.5 | E100 Y149 K150 M155 Y156 H157 | E100-F153 WeakPolarHBondContact OE1-CE2 3.39Å; Y149-F153 HydrophobicContact CE1-CD2 4.46Å; Y149-F153 WeakPolarHBondContact O-CB 3.24Å; Y149-F153 PolarHBondContact O-N 3.42Å; K150-F153 PolarHBondContact O-N 2.9Å; F153-M155 VanDerWaalsContact C-N 3.32Å; F153-Y156 PolarHBondContact O-N 3.35Å; F153-H157 WeakPolarHBondContact O-CB 3.44Å; F153-H157 PolarHBondContact O-N 3.44Å |
| 154 | E | 74.2 | Confident | 70.8 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 173.4 | -75.9 | 176.1 | -177.5 | 0 | 0 | 111.4 | K150 H157 N158 | K150-E154 WeakPolarHBondContact CE-OE1 3.23Å; K150-E154 IonicContact NZ-OE1 2.93Å; K150-E154 WeakPolarHBondContact O-CB 3.28Å; K150-E154 WeakPolarHBondContact O-CG 3.41Å; K150-E154 PolarHBondContact O-N 3.42Å; E154-H157 PolarHBondContact O-N 3.18Å; E154-N158 PolarHBondContact O-N 2.96Å; E154-N158 PolarHBondContact O-ND2 3.49Å |
| 155 | M | 72.7 | Confident | 71.4 | Confident | 137 Ų | 137 | 97.6 Ų | 97.6 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 175.6 | -152.8 | 176.5 | -148.5 | 0 | 0 | 111.2 | S151 A152 F153 H157 N158 V159 | S151-M155 WeakPolarHBondContact O-CB 3.45Å; S151-M155 PolarHBondContact O-N 3.14Å; A152-M155 PolarHBondContact O-N 3.21Å; F153-M155 VanDerWaalsContact C-N 3.32Å; M155-H157 PolarHBondContact O-N 3.24Å; M155-N158 PolarHBondContact O-N 2.91Å; M155-V159 WeakPolarHBondContact O-CG2 3.49Å; M155-V159 PolarHBondContact O-N 3.34Å |
| 156 | Y | 70.3 | Confident | 71.8 | Confident | 47 Ų | 47 | 94.6 Ų | 94.6 | 18% | 0.184 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 174.5 | 169.4 | -100.6 | 0 | 0 | 0 | 112 | N93 L97 A152 F153 N158 V159 R160 | N93-Y156 WeakPolarHBondContact OD1-CE2 3.38Å; L97-Y156 WeakPolarHBondContact CD1-OH 3.49Å; L97-Y156 VanDerWaalsContact CD2-OH 3.31Å; L97-Y156 WeakPolarHBondContact CD2-OH 3.42Å; L97-Y156 WeakPolarHBondContact CG-OH 3.47Å; A152-Y156 WeakPolarHBondContact O-CB 3.5Å; A152-Y156 PolarHBondContact O-N 3.02Å; F153-Y156 PolarHBondContact O-N 3.35Å; Y156-N158 VanDerWaalsContact C-N 3.29Å; Y156-N158 PolarHBondContact O-N 3.13Å; Y156-V159 PolarHBondContact O-N 2.91Å; Y156-R160 WeakPolarHBondContact O-CB 3.45Å; Y156-R160 PolarHBondContact O-N 3.25Å; Y156-R160 PolarHBondContact OH-NH1 3.23Å |
| 157 | H | 71.6 | Confident | 72.2 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 43% | 0.431 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.6 | -32.2 | -179.5 | -156.9 | -42.9 | 0 | 0 | 0 | 112.5 | F153 E154 M155 K161 | F153-H157 WeakPolarHBondContact O-CB 3.44Å; F153-H157 PolarHBondContact O-N 3.44Å; E154-H157 PolarHBondContact O-N 3.18Å; M155-H157 PolarHBondContact O-N 3.24Å; H157-K161 PolarHBondContact O-N 2.91Å |
| 158 | N | 73.4 | Confident | 72.8 | Confident | 99 Ų | 99 | 92 Ų | 92 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.8 | -45 | 172.6 | -75.7 | -21.4 | 0 | 0 | 0 | 111.7 | E154 M155 Y156 R160 K161 E162 | E154-N158 PolarHBondContact O-N 2.96Å; E154-N158 PolarHBondContact O-ND2 3.49Å; M155-N158 PolarHBondContact O-N 2.91Å; Y156-N158 VanDerWaalsContact C-N 3.29Å; Y156-N158 PolarHBondContact O-N 3.13Å; N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 3.44Å; N158-K161 PolarHBondContact O-N 3.04Å; N158-E162 PolarHBondContact O-N 3.16Å |
| 159 | V | 71.2 | Confident | 73.3 | Confident | 62 Ų | 62 | 90.1 Ų | 90.1 | 38% | 0.376 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 175.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | M155 Y156 K161 E162 V163 | M155-V159 WeakPolarHBondContact O-CG2 3.49Å; M155-V159 PolarHBondContact O-N 3.34Å; Y156-V159 PolarHBondContact O-N 2.91Å; V159-K161 PolarHBondContact O-N 3.16Å; V159-E162 PolarHBondContact O-N 3.14Å; V159-V163 HydrophobicContact CG1-CG2 4.46Å; V159-V163 WeakPolarHBondContact O-CG2 3.38Å; V159-V163 PolarHBondContact O-N 3.2Å |
| 160 | R | 73.8 | Confident | 73.6 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 34% | 0.343 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 175 | -169 | 79.6 | -176.7 | -148.3 | 5.6 | 112 | Y156 N158 E162 V163 D164 | Y156-R160 WeakPolarHBondContact O-CB 3.45Å; Y156-R160 PolarHBondContact O-N 3.25Å; Y156-R160 PolarHBondContact OH-NH1 3.23Å; N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 3.44Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 2.84Å; R160-V163 PolarHBondContact O-N 3.36Å; R160-D164 PolarHBondContact O-N 2.97Å |
| 161 | K | 80.2 | Confident | 73.6 | Confident | 122 Ų | 122 | 84.9 Ų | 84.9 | 53% | 0.53 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.6 | -79.6 | -176.7 | 176.1 | 179.3 | 0 | 112.2 | H157 N158 V159 V163 D164 E165 | H157-K161 PolarHBondContact O-N 2.91Å; N158-K161 PolarHBondContact O-N 3.04Å; V159-K161 PolarHBondContact O-N 3.16Å; K161-V163 VanDerWaalsContact C-N 3.3Å; K161-V163 PolarHBondContact O-N 2.98Å; K161-D164 PolarHBondContact O-N 2.76Å; K161-E165 PolarHBondContact O-N 2.94Å |
| 162 | E | 76.7 | Confident | 73.8 | Confident | 113 Ų | 113 | 85.9 Ų | 85.9 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.1 | -70.2 | -177.1 | 179.1 | 0 | 0 | 111.4 | N158 V159 R160 E165 I166 | N158-E162 PolarHBondContact O-N 3.16Å; V159-E162 PolarHBondContact O-N 3.14Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 2.84Å; E162-E165 PolarHBondContact O-N 3.04Å; E162-I166 WeakPolarHBondContact O-CB 3.41Å; E162-I166 WeakPolarHBondContact O-CD1 3.44Å; E162-I166 WeakPolarHBondContact O-CG1 3.5Å; E162-I166 PolarHBondContact O-N 3.39Å |
| 163 | V | 74.4 | Confident | 74 | Confident | 14 Ų | 14 | 85.2 Ų | 85.2 | 9% | 0.085 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | I90 V159 R160 K161 E165 I166 E167 | I90-V163 HydrophobicContact CG1-CG1 4.11Å; V159-V163 HydrophobicContact CG1-CG2 4.46Å; V159-V163 WeakPolarHBondContact O-CG2 3.38Å; V159-V163 PolarHBondContact O-N 3.2Å; R160-V163 PolarHBondContact O-N 3.36Å; K161-V163 VanDerWaalsContact C-N 3.3Å; K161-V163 PolarHBondContact O-N 2.98Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 3.32Å; V163-I166 CarbonylContact O-C 3.56Å; V163-I166 PolarHBondContact O-N 3.44Å; V163-I166 VanDerWaalsContact O-N 3.13Å; V163-E167 HydrophobicContact CG1-CG 4.5Å; V163-E167 PolarHBondContact O-N 2.88Å |
| 164 | D | 77.6 | Confident | 73.9 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 43% | 0.433 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 177.6 | -66.2 | -16.1 | 0 | 0 | 0 | 111.5 | R160 K161 K168 | R160-D164 PolarHBondContact O-N 2.97Å; K161-D164 PolarHBondContact O-N 2.76Å; D164-K168 PolarHBondContact O-N 2.84Å |
| 165 | E | 80.4 | Confident | 73.6 | Confident | 137 Ų | 137 | 83.1 Ų | 83.1 | 64% | 0.64 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.9 | -40.6 | 173.5 | -75.7 | -178.6 | 179.9 | 0 | 0 | 111.9 | K161 E162 V163 K168 V169 | K161-E165 PolarHBondContact O-N 2.94Å; E162-E165 PolarHBondContact O-N 3.04Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 3.32Å; E165-K168 WeakPolarHBondContact O-CB 3.3Å; E165-K168 PolarHBondContact O-N 3.21Å; E165-V169 WeakPolarHBondContact O-CG2 3.39Å; E165-V169 PolarHBondContact O-N 3.37Å; E165-V169 VanDerWaalsContact O-N 3.09Å |
| 166 | I | 73.1 | Confident | 73.3 | Confident | 64 Ų | 64 | 79.3 Ų | 79.3 | 33% | 0.328 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 178.4 | -73.3 | 167.2 | 0 | 0 | 0 | 111.6 | I86 E162 V163 K168 V169 V170 | I86-I166 HydrophobicContact CB-CG2 4.31Å; I86-I166 HydrophobicContact CD1-CG2 3.19Å; I86-I166 HydrophobicContact CG1-CG2 3.39Å; I86-I166 HydrophobicContact CG2-CG2 3.99Å; E162-I166 WeakPolarHBondContact O-CB 3.41Å; E162-I166 WeakPolarHBondContact O-CD1 3.44Å; E162-I166 WeakPolarHBondContact O-CG1 3.5Å; E162-I166 PolarHBondContact O-N 3.39Å; V163-I166 CarbonylContact O-C 3.56Å; V163-I166 PolarHBondContact O-N 3.44Å; V163-I166 VanDerWaalsContact O-N 3.13Å; I166-K168 PolarHBondContact O-N 2.98Å; I166-V169 PolarHBondContact O-N 3.08Å; I166-V170 WeakPolarHBondContact O-CG2 3.49Å; I166-V170 PolarHBondContact O-N 3.38Å |
| 167 | E | 74 | Confident | 73 | Confident | 84 Ų | 84 | 78.5 Ų | 78.5 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.6 | -40.4 | 173.5 | -82 | -172 | 166.5 | 0 | 0 | 111.2 | I90 V163 V170 A171 | I90-E167 HydrophobicContact CD1-CG 3.94Å; I90-E167 WeakPolarHBondContact CD1-OE1 3.45Å; I90-E167 HydrophobicContact CG1-CG 4.5Å; I90-E167 WeakPolarHBondContact CG1-OE1 3.41Å; V163-E167 HydrophobicContact CG1-CG 4.5Å; V163-E167 PolarHBondContact O-N 2.88Å; E167-V170 PolarHBondContact O-N 3.47Å; E167-A171 PolarHBondContact O-N 2.92Å |
| 168 | K | 80.9 | Confident | 72.7 | Confident | 149 Ų | 149 | 79.2 Ų | 79.2 | 65% | 0.648 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 176.3 | -155.4 | 177.4 | -175.5 | -179.1 | 0 | 112.1 | D164 E165 I166 V170 A171 D172 | D164-K168 PolarHBondContact O-N 2.84Å; E165-K168 WeakPolarHBondContact O-CB 3.3Å; E165-K168 PolarHBondContact O-N 3.21Å; I166-K168 PolarHBondContact O-N 2.98Å; K168-V170 VanDerWaalsContact C-N 3.28Å; K168-V170 PolarHBondContact O-N 3.39Å; K168-A171 PolarHBondContact O-N 3.3Å; K168-D172 PolarHBondContact O-N 3.48Å; K168-D172 VanDerWaalsContact O-N 3.08Å |
| 169 | V | 74.8 | Confident | 72.3 | Confident | 82 Ų | 82 | 77.3 Ų | 77.3 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | E165 I166 L173 | E165-V169 WeakPolarHBondContact O-CG2 3.39Å; E165-V169 PolarHBondContact O-N 3.37Å; E165-V169 VanDerWaalsContact O-N 3.09Å; I166-V169 PolarHBondContact O-N 3.08Å; V169-L173 HydrophobicContact CG1-CD1 3.83Å; V169-L173 WeakPolarHBondContact O-CB 3.24Å; V169-L173 WeakPolarHBondContact O-CD1 3.42Å; V169-L173 WeakPolarHBondContact O-CG 3.27Å; V169-L173 PolarHBondContact O-N 3.49Å |
| 170 | V | 72.4 | Confident | 71.9 | Confident | 31 Ų | 31 | 77 Ų | 77 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | Q83 I86 I166 E167 K168 L173 G174 | Q83-V170 HydrophobicContact CG-CG1 4.08Å; I86-V170 HydrophobicContact CB-CG2 4.36Å; I86-V170 HydrophobicContact CD1-CG2 3.07Å; I86-V170 HydrophobicContact CG1-CG2 4.25Å; I86-V170 HydrophobicContact CG2-CG2 4.2Å; I166-V170 WeakPolarHBondContact O-CG2 3.49Å; I166-V170 PolarHBondContact O-N 3.38Å; E167-V170 PolarHBondContact O-N 3.47Å; K168-V170 VanDerWaalsContact C-N 3.28Å; K168-V170 PolarHBondContact O-N 3.39Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 3.22Å; V170-G174 PolarHBondContact O-N 3.22Å |
| 171 | A | 72.5 | Confident | 71.6 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E167 K168 L173 G174 D175 | E167-A171 PolarHBondContact O-N 2.92Å; K168-A171 PolarHBondContact O-N 3.3Å; A171-L173 PolarHBondContact O-N 2.99Å; A171-G174 WeakPolarHBondContact O-CA 3.28Å; A171-G174 PolarHBondContact O-N 2.91Å; A171-D175 PolarHBondContact O-N 2.84Å; A171-D175 VanDerWaalsContact O-N 3.11Å |
| 172 | D | 73 | Confident | 71 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.8 | -33.3 | 177 | -66 | -16.2 | 0 | 0 | 0 | 112.2 | K168 S176 | K168-D172 PolarHBondContact O-N 3.48Å; K168-D172 VanDerWaalsContact O-N 3.08Å; D172-S176 PolarHBondContact O-N 3.34Å; D172-S176 VanDerWaalsContact O-N 3.13Å; D172-S176 PolarHBondContact O-OG 2.96Å |
| 173 | L | 67.9 | Low | 70.4 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.9 | -35.7 | 175.1 | -87.3 | 162.4 | 0 | 0 | 0 | 113.1 | L79 V169 V170 A171 S176 T177 | L79-L173 HydrophobicContact CD1-CD2 3.64Å; L79-L173 HydrophobicContact CD2-CB 4.47Å; L79-L173 HydrophobicContact CD2-CD1 3.75Å; L79-L173 HydrophobicContact CD2-CD2 3.19Å; L79-L173 HydrophobicContact CD2-CG 3.96Å; L79-L173 HydrophobicContact CG-CD2 3.99Å; V169-L173 HydrophobicContact CG1-CD1 3.83Å; V169-L173 WeakPolarHBondContact O-CB 3.24Å; V169-L173 WeakPolarHBondContact O-CD1 3.42Å; V169-L173 WeakPolarHBondContact O-CG 3.27Å; V169-L173 PolarHBondContact O-N 3.49Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 3.22Å; A171-L173 PolarHBondContact O-N 2.99Å; L173-S176 WeakPolarHBondContact O-CB 3.46Å; L173-S176 PolarHBondContact O-N 2.86Å; L173-T177 PolarHBondContact O-N 2.88Å; L173-T177 PolarHBondContact O-OG1 3.21Å; L173-T177 VanDerWaalsContact O-OG1 3.1Å |
| 174 | G | 66.4 | Low | 69.9 | Low | 27 Ų | 27 | 78.4 Ų | 78.4 | 28% | 0.278 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | V170 A171 S176 T177 D178 | V170-G174 PolarHBondContact O-N 3.22Å; A171-G174 WeakPolarHBondContact O-CA 3.28Å; A171-G174 PolarHBondContact O-N 2.91Å; G174-S176 VanDerWaalsContact C-N 3.27Å; G174-S176 PolarHBondContact O-N 3.48Å; G174-T177 WeakPolarHBondContact CA-OG1 3.44Å; G174-T177 PolarHBondContact O-N 3.32Å; G174-T177 VanDerWaalsContact O-N 3.09Å; G174-T177 PolarHBondContact O-OG1 3.04Å; G174-D178 PolarHBondContact O-N 3.49Å |
| 175 | D | 67.9 | Low | 69.6 | Low | 116 Ų | 116 | 81.6 Ų | 81.6 | 62% | 0.62 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.7 | -38.9 | 176.6 | -67.7 | -13.7 | 0 | 0 | 0 | 111.6 | A171 D178 S179 | A171-D175 PolarHBondContact O-N 2.84Å; A171-D175 VanDerWaalsContact O-N 3.11Å; D175-D178 PolarHBondContact O-N 3.4Å; D175-S179 PolarHBondContact O-N 3.3Å; D175-S179 VanDerWaalsContact O-N 3.15Å |
| 176 | S | 66.8 | Low | 68.9 | Low | 58 Ų | 58 | 80.8 Ų | 80.8 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | D172 L173 G174 S179 L180 | D172-S176 PolarHBondContact O-N 3.34Å; D172-S176 VanDerWaalsContact O-N 3.13Å; D172-S176 PolarHBondContact O-OG 2.96Å; L173-S176 WeakPolarHBondContact O-CB 3.46Å; L173-S176 PolarHBondContact O-N 2.86Å; G174-S176 VanDerWaalsContact C-N 3.27Å; G174-S176 PolarHBondContact O-N 3.48Å; S176-S179 PolarHBondContact O-N 3.13Å; S176-S179 PolarHBondContact O-OG 3.21Å; S176-L180 PolarHBondContact O-N 3.47Å; S176-L180 VanDerWaalsContact O-N 3.16Å |
| 177 | T | 64.6 | Low | 68.5 | Low | 29 Ų | 29 | 78.8 Ų | 78.8 | 18% | 0.178 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 176.1 | 39.2 | 0 | 0 | 0 | 0 | 113.1 | L79 L173 G174 S179 L180 D181 | L79-T177 HydrophobicContact CB-CG2 4.48Å; L79-T177 HydrophobicContact CD1-CG2 3.46Å; L79-T177 VanDerWaalsContact CD1-CG2 3.46Å; L173-T177 PolarHBondContact O-N 2.88Å; L173-T177 PolarHBondContact O-OG1 3.21Å; L173-T177 VanDerWaalsContact O-OG1 3.1Å; G174-T177 WeakPolarHBondContact CA-OG1 3.44Å; G174-T177 PolarHBondContact O-N 3.32Å; G174-T177 VanDerWaalsContact O-N 3.09Å; G174-T177 PolarHBondContact O-OG1 3.04Å; T177-S179 VanDerWaalsContact C-N 3.31Å; T177-S179 PolarHBondContact O-N 3.11Å; T177-L180 WeakPolarHBondContact O-CB 3.43Å; T177-L180 PolarHBondContact O-N 3.48Å; T177-D181 PolarHBondContact O-N 3.12Å |
| 178 | D | 64.6 | Low | 68.1 | Low | 108 Ų | 108 | 78 Ų | 78 | 58% | 0.578 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 175.3 | -73.4 | -14.3 | 0 | 0 | 0 | 111 | G174 D175 L180 D181 E182 | G174-D178 PolarHBondContact O-N 3.49Å; D175-D178 PolarHBondContact O-N 3.4Å; D178-L180 VanDerWaalsContact C-N 3.3Å; D178-L180 PolarHBondContact O-N 2.84Å; D178-D181 PolarHBondContact O-N 2.93Å; D178-E182 PolarHBondContact O-N 3.38Å; D178-E182 VanDerWaalsContact O-N 3.1Å |
| 179 | S | 65.8 | Low | 67.7 | Low | 59 Ų | 59 | 76.1 Ų | 76.1 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 173.3 | 83.4 | 0 | 0 | 0 | 0 | 113 | D175 S176 T177 E182 I183 | D175-S179 PolarHBondContact O-N 3.3Å; D175-S179 VanDerWaalsContact O-N 3.15Å; S176-S179 PolarHBondContact O-N 3.13Å; S176-S179 PolarHBondContact O-OG 3.21Å; T177-S179 VanDerWaalsContact C-N 3.31Å; T177-S179 PolarHBondContact O-N 3.11Å; S179-E182 PolarHBondContact O-N 2.87Å; S179-I183 WeakPolarHBondContact O-CG1 3.47Å; S179-I183 PolarHBondContact O-N 3.31Å; S179-I183 VanDerWaalsContact O-N 3.14Å |
| 180 | L | 62.3 | Low | 67.5 | Low | 55 Ų | 55 | 77.1 Ų | 77.1 | 29% | 0.288 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 176.5 | -82.5 | 164.7 | 0 | 0 | 0 | 112 | S176 T177 D178 E182 I183 L184 | S176-L180 PolarHBondContact O-N 3.47Å; S176-L180 VanDerWaalsContact O-N 3.16Å; T177-L180 WeakPolarHBondContact O-CB 3.43Å; T177-L180 PolarHBondContact O-N 3.48Å; D178-L180 VanDerWaalsContact C-N 3.3Å; D178-L180 PolarHBondContact O-N 2.84Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 3.32Å; L180-I183 HydrophobicContact CD2-CD1 4.39Å; L180-I183 PolarHBondContact O-N 2.96Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 3.12Å |
| 181 | D | 67.2 | Low | 67.3 | Low | 59 Ų | 59 | 80.3 Ų | 80.3 | 32% | 0.316 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.3 | -30.7 | 174.6 | -87.1 | 0.4 | 0 | 0 | 0 | 111.4 | K76 T177 D178 K185 | K76-D181 VanDerWaalsContact NZ-CG 3.28Å; K76-D181 IonicContact NZ-OD1 2.63Å; K76-D181 PolarHBondContact NZ-OD1 3.34Å; K76-D181 IonicContact NZ-OD2 2.78Å; K76-D181 PolarHBondContact NZ-OD2 3.46Å; T177-D181 PolarHBondContact O-N 3.12Å; D178-D181 PolarHBondContact O-N 2.93Å; D181-K185 WeakPolarHBondContact O-CG 3.46Å; D181-K185 PolarHBondContact O-N 3.43Å |
| 182 | E | 67.7 | Low | 67.4 | Low | 136 Ų | 136 | 83.7 Ų | 83.7 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65 | -45.9 | 168.2 | -76.4 | -160.1 | 149.1 | 0 | 0 | 112.6 | D178 S179 L180 L184 K185 E186 | D178-E182 PolarHBondContact O-N 3.38Å; D178-E182 VanDerWaalsContact O-N 3.1Å; S179-E182 PolarHBondContact O-N 2.87Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 3.32Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.49Å; E182-K185 WeakPolarHBondContact O-CB 3.31Å; E182-K185 PolarHBondContact O-N 3.28Å; E182-K185 VanDerWaalsContact O-N 3.09Å; E182-E186 PolarHBondContact O-N 3.33Å |
| 183 | I | 64.5 | Low | 67.2 | Low | 99 Ų | 99 | 88.1 Ų | 88.1 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59 | -41.3 | 176 | -66.2 | 167 | 0 | 0 | 0 | 110.7 | S179 L180 E186 G187 | S179-I183 WeakPolarHBondContact O-CG1 3.47Å; S179-I183 PolarHBondContact O-N 3.31Å; S179-I183 VanDerWaalsContact O-N 3.14Å; L180-I183 HydrophobicContact CD2-CD1 4.39Å; L180-I183 PolarHBondContact O-N 2.96Å; I183-E186 PolarHBondContact O-N 2.88Å; I183-E186 VanDerWaalsContact O-N 3.16Å; I183-G187 PolarHBondContact O-N 3.25Å |
| 184 | L | 64.6 | Low | 67.4 | Low | 76 Ų | 76 | 89.1 Ų | 89.1 | 40% | 0.398 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 176.2 | -74.8 | 170.6 | 0 | 0 | 0 | 112.3 | L180 E182 E186 G187 S188 | L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 3.12Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.49Å; L184-E186 VanDerWaalsContact C-N 3.31Å; L184-E186 PolarHBondContact O-N 3.17Å; L184-G187 PolarHBondContact O-N 3.42Å; L184-S188 PolarHBondContact O-N 2.92Å |
| 185 | K | 69.9 | Low | 67.9 | Low | 149 Ų | 149 | 90.7 Ų | 90.7 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.1 | -37.8 | 171.3 | -76.8 | 175.7 | -177.3 | 170.4 | 0 | 111.5 | D181 E182 G187 S188 | D181-K185 WeakPolarHBondContact O-CG 3.46Å; D181-K185 PolarHBondContact O-N 3.43Å; E182-K185 WeakPolarHBondContact O-CB 3.31Å; E182-K185 PolarHBondContact O-N 3.28Å; E182-K185 VanDerWaalsContact O-N 3.09Å; K185-G187 VanDerWaalsContact C-N 3.34Å; K185-S188 WeakPolarHBondContact O-CB 3.4Å; K185-S188 PolarHBondContact O-N 3.48Å; K185-S188 PolarHBondContact O-OG 2.89Å |
| 186 | E | 66.6 | Low | 68.1 | Low | 119 Ų | 119 | 87.6 Ų | 87.6 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.3 | -33.8 | 173.3 | -66.3 | -159.4 | 142.2 | 0 | 0 | 112.9 | E182 I183 L184 S188 K189 L190 | E182-E186 PolarHBondContact O-N 3.33Å; I183-E186 PolarHBondContact O-N 2.88Å; I183-E186 VanDerWaalsContact O-N 3.16Å; L184-E186 VanDerWaalsContact C-N 3.31Å; L184-E186 PolarHBondContact O-N 3.17Å; E186-S188 PolarHBondContact O-N 2.89Å; E186-K189 WeakPolarHBondContact O-CA 3.42Å; E186-K189 VanDerWaalsContact O-CB 3.28Å; E186-K189 WeakPolarHBondContact O-CB 3.49Å; E186-K189 PolarHBondContact O-N 3.15Å; E186-L190 PolarHBondContact O-N 2.97Å; E186-L190 VanDerWaalsContact O-N 3.16Å |
| 187 | G | 65 | Low | 68.4 | Low | 22 Ų | 22 | 88.3 Ų | 88.3 | 23% | 0.227 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -53.5 | -38.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I183 L184 K185 K189 L190 D191 | I183-G187 PolarHBondContact O-N 3.25Å; L184-G187 PolarHBondContact O-N 3.42Å; K185-G187 VanDerWaalsContact C-N 3.34Å; G187-K189 VanDerWaalsContact C-N 3.28Å; G187-K189 PolarHBondContact O-N 3.04Å; G187-L190 WeakPolarHBondContact O-CA 3.5Å; G187-L190 VanDerWaalsContact O-CB 3.24Å; G187-L190 WeakPolarHBondContact O-CB 3.36Å; G187-L190 PolarHBondContact O-N 3.23Å; G187-D191 PolarHBondContact O-N 3.08Å; G187-D191 VanDerWaalsContact O-N 3.13Å |
| 188 | S | 64.9 | Low | 69 | Low | 67 Ų | 67 | 90.4 Ų | 90.4 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -30 | 174.7 | 80.1 | 0 | 0 | 0 | 0 | 113.5 | L184 K185 E186 L190 D191 M192 | L184-S188 PolarHBondContact O-N 2.92Å; K185-S188 WeakPolarHBondContact O-CB 3.4Å; K185-S188 PolarHBondContact O-N 3.48Å; K185-S188 PolarHBondContact O-OG 2.89Å; E186-S188 PolarHBondContact O-N 2.89Å; S188-L190 VanDerWaalsContact C-N 3.34Å; S188-D191 PolarHBondContact O-N 3.34Å; S188-M192 PolarHBondContact O-N 2.94Å |
| 189 | K | 73.4 | Confident | 69.8 | Low | 110 Ų | 110 | 91.9 Ų | 91.9 | 48% | 0.478 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 172.2 | -59.7 | 176.2 | -175.8 | 165.6 | 0 | 110.2 | E186 G187 D191 M192 W193 | E186-K189 WeakPolarHBondContact O-CA 3.42Å; E186-K189 VanDerWaalsContact O-CB 3.28Å; E186-K189 WeakPolarHBondContact O-CB 3.49Å; E186-K189 PolarHBondContact O-N 3.15Å; G187-K189 VanDerWaalsContact C-N 3.28Å; G187-K189 PolarHBondContact O-N 3.04Å; K189-D191 VanDerWaalsContact C-N 3.3Å; K189-D191 PolarHBondContact O-N 3.01Å; K189-M192 HydrophobicContact CB-CE 4.35Å; K189-M192 HydrophobicContact CG-CE 4.2Å; K189-M192 WeakPolarHBondContact O-CB 3.38Å; K189-M192 PolarHBondContact O-N 3.43Å; K189-M192 VanDerWaalsContact O-N 3.14Å; K189-W193 VanDerWaalsContact O-CD1 3.25Å; K189-W193 PolarHBondContact O-N 3.16Å |
| 190 | L | 69 | Low | 70.5 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 176.1 | -159.5 | 105.9 | 0 | 0 | 0 | 111.7 | E186 G187 S188 M192 W193 K194 | E186-L190 PolarHBondContact O-N 2.97Å; E186-L190 VanDerWaalsContact O-N 3.16Å; G187-L190 WeakPolarHBondContact O-CA 3.5Å; G187-L190 VanDerWaalsContact O-CB 3.24Å; G187-L190 WeakPolarHBondContact O-CB 3.36Å; G187-L190 PolarHBondContact O-N 3.23Å; S188-L190 VanDerWaalsContact C-N 3.34Å; L190-M192 VanDerWaalsContact C-N 3.34Å; L190-M192 PolarHBondContact O-N 3.38Å; L190-W193 WeakPolarHBondContact O-CB 3.49Å; L190-W193 PolarHBondContact O-N 3.03Å; L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 2.94Å |
| 191 | D | 69.7 | Low | 71.2 | Confident | 99 Ų | 99 | 95.4 Ų | 95.4 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 173.7 | -82.4 | -26.5 | 0 | 0 | 0 | 112.6 | G187 S188 K189 K194 S195 | G187-D191 PolarHBondContact O-N 3.08Å; G187-D191 VanDerWaalsContact O-N 3.13Å; S188-D191 PolarHBondContact O-N 3.34Å; K189-D191 VanDerWaalsContact C-N 3.3Å; K189-D191 PolarHBondContact O-N 3.01Å; D191-K194 PolarHBondContact O-N 3.25Å; D191-S195 WeakPolarHBondContact O-CB 3.3Å; D191-S195 PolarHBondContact O-N 3.3Å |
| 192 | M | 73.3 | Confident | 71.9 | Confident | 127 Ų | 127 | 97.4 Ų | 97.4 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 171.6 | -68.3 | -164.4 | -69 | 0 | 0 | 111.8 | S188 K189 L190 K194 S195 A196 | S188-M192 PolarHBondContact O-N 2.94Å; K189-M192 HydrophobicContact CB-CE 4.35Å; K189-M192 HydrophobicContact CG-CE 4.2Å; K189-M192 WeakPolarHBondContact O-CB 3.38Å; K189-M192 PolarHBondContact O-N 3.43Å; K189-M192 VanDerWaalsContact O-N 3.14Å; L190-M192 VanDerWaalsContact C-N 3.34Å; L190-M192 PolarHBondContact O-N 3.38Å; M192-K194 VanDerWaalsContact C-N 3.34Å; M192-K194 PolarHBondContact O-N 3.39Å; M192-S195 PolarHBondContact O-N 2.94Å; M192-A196 WeakPolarHBondContact O-CB 3.49Å; M192-A196 PolarHBondContact O-N 3.28Å |
| 193 | W | 69.1 | Low | 72.7 | Confident | 187 Ų | 187 | 94.8 Ų | 94.8 | 71% | 0.708 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 174.2 | -86.3 | 96.4 | 0 | 0 | 0 | 111.8 | K189 L190 S195 A196 C197 | K189-W193 VanDerWaalsContact O-CD1 3.25Å; K189-W193 PolarHBondContact O-N 3.16Å; L190-W193 WeakPolarHBondContact O-CB 3.49Å; L190-W193 PolarHBondContact O-N 3.03Å; W193-S195 PolarHBondContact O-N 3.28Å; W193-A196 WeakPolarHBondContact O-CB 3.08Å; W193-A196 PolarHBondContact O-N 3.15Å; W193-C197 PolarHBondContact O-N 2.91Å; W193-C197 PolarHBondContact O-SG 3.42Å; W193-C197 VanDerWaalsContact O-SG 3.34Å |
| 194 | K | 72.8 | Confident | 73.4 | Confident | 67 Ų | 67 | 92.9 Ų | 92.9 | 29% | 0.291 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.5 | -170.5 | 179.3 | -178 | -177.2 | 0 | 111.8 | N62 L190 D191 M192 A196 C197 C198 | N62-K194 PolarHBondContact ND2-NZ 3.09Å; N62-K194 PolarHBondContact OD1-NZ 3.35Å; L190-K194 WeakPolarHBondContact O-CB 3.49Å; L190-K194 PolarHBondContact O-N 2.94Å; D191-K194 PolarHBondContact O-N 3.25Å; M192-K194 VanDerWaalsContact C-N 3.34Å; M192-K194 PolarHBondContact O-N 3.39Å; K194-A196 VanDerWaalsContact C-N 3.33Å; K194-A196 PolarHBondContact O-N 2.92Å; K194-C197 PolarHBondContact O-N 2.98Å; K194-C198 PolarHBondContact O-N 3.49Å; K194-C198 PolarHBondContact O-SG 2.91Å; K194-C198 VanDerWaalsContact O-SG 3.38Å |
| 195 | S | 75.9 | Confident | 74.3 | Confident | 59 Ų | 59 | 94.8 Ų | 94.8 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.4 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | D191 M192 W193 C198 K199 | D191-S195 WeakPolarHBondContact O-CB 3.3Å; D191-S195 PolarHBondContact O-N 3.3Å; M192-S195 PolarHBondContact O-N 2.94Å; W193-S195 PolarHBondContact O-N 3.28Å; S195-C198 PolarHBondContact O-N 3.1Å; S195-K199 WeakPolarHBondContact O-CG 3.43Å; S195-K199 PolarHBondContact O-N 3.21Å |
| 196 | A | 72.7 | Confident | 75.1 | Confident | 51 Ų | 51 | 94.8 Ų | 94.8 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M192 W193 K194 C198 K199 L200 | M192-A196 WeakPolarHBondContact O-CB 3.49Å; M192-A196 PolarHBondContact O-N 3.28Å; W193-A196 WeakPolarHBondContact O-CB 3.08Å; W193-A196 PolarHBondContact O-N 3.15Å; K194-A196 VanDerWaalsContact C-N 3.33Å; K194-A196 PolarHBondContact O-N 2.92Å; A196-C198 PolarHBondContact O-N 3.43Å; A196-K199 PolarHBondContact O-N 3.46Å; A196-L200 PolarHBondContact O-N 3.03Å |
| 197 | C | 73.9 | Confident | 75.9 | Confident | 73 Ų | 73 | 92.9 Ų | 92.9 | 49% | 0.493 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | W193 K194 K199 L200 A201 | W193-C197 PolarHBondContact O-N 2.91Å; W193-C197 PolarHBondContact O-SG 3.42Å; W193-C197 VanDerWaalsContact O-SG 3.34Å; K194-C197 PolarHBondContact O-N 2.98Å; C197-K199 VanDerWaalsContact C-N 3.34Å; C197-K199 PolarHBondContact O-N 3.31Å; C197-L200 PolarHBondContact O-N 2.84Å; C197-A201 WeakPolarHBondContact O-CB 3.47Å; C197-A201 PolarHBondContact O-N 3.49Å |
| 198 | C | 76.6 | Confident | 76.9 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 174.9 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | K194 S195 A196 A201 N202 | K194-C198 PolarHBondContact O-N 3.49Å; K194-C198 PolarHBondContact O-SG 2.91Å; K194-C198 VanDerWaalsContact O-SG 3.38Å; S195-C198 PolarHBondContact O-N 3.1Å; A196-C198 PolarHBondContact O-N 3.43Å; C198-A201 PolarHBondContact O-N 3.01Å; C198-N202 PolarHBondContact O-N 3.26Å; C198-N202 VanDerWaalsContact O-N 3.08Å |
| 199 | K | 81.1 | Confident | 77.9 | Confident | 139 Ų | 139 | 98.2 Ų | 98.2 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 173.7 | -72.5 | 176 | -176.4 | -179.9 | 0 | 111.4 | S195 A196 C197 N202 V203 | S195-K199 WeakPolarHBondContact O-CG 3.43Å; S195-K199 PolarHBondContact O-N 3.21Å; A196-K199 PolarHBondContact O-N 3.46Å; C197-K199 VanDerWaalsContact C-N 3.34Å; C197-K199 PolarHBondContact O-N 3.31Å; K199-N202 PolarHBondContact O-N 3.06Å; K199-V203 WeakPolarHBondContact O-CG2 3.44Å; K199-V203 PolarHBondContact O-N 3.25Å |
| 200 | L | 80.3 | Confident | 78.4 | Confident | 134 Ų | 134 | 97.3 Ų | 97.3 | 70% | 0.702 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 178.2 | -141.3 | 95.4 | 0 | 0 | 0 | 111.5 | A196 C197 N202 V203 A204 | A196-L200 PolarHBondContact O-N 3.03Å; C197-L200 PolarHBondContact O-N 2.84Å; L200-N202 VanDerWaalsContact C-N 3.32Å; L200-N202 PolarHBondContact O-N 3.14Å; L200-V203 PolarHBondContact O-N 3.45Å; L200-V203 VanDerWaalsContact O-N 3.15Å; L200-A204 PolarHBondContact O-N 3.34Å |
| 201 | A | 76.5 | Confident | 79.3 | Confident | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | C197 C198 A204 L205 | C197-A201 WeakPolarHBondContact O-CB 3.47Å; C197-A201 PolarHBondContact O-N 3.49Å; C198-A201 PolarHBondContact O-N 3.01Å; A201-A204 PolarHBondContact O-N 2.95Å; A201-L205 WeakPolarHBondContact O-CB 3.39Å; A201-L205 PolarHBondContact O-N 3.13Å |
| 202 | N | 83.5 | Confident | 80 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 174.5 | -79.2 | -16.9 | 0 | 0 | 0 | 112.8 | C198 K199 L200 K206 | C198-N202 PolarHBondContact O-N 3.26Å; C198-N202 VanDerWaalsContact O-N 3.08Å; K199-N202 PolarHBondContact O-N 3.06Å; L200-N202 VanDerWaalsContact C-N 3.32Å; L200-N202 PolarHBondContact O-N 3.14Å; N202-K206 WeakPolarHBondContact O-CG 3.4Å; N202-K206 PolarHBondContact O-N 3.47Å; N202-K206 VanDerWaalsContact O-N 3.12Å |
| 203 | V | 83 | Confident | 80.7 | Confident | 82 Ų | 82 | 96.5 Ų | 96.5 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 173.5 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | K199 L200 L205 K206 N207 | K199-V203 WeakPolarHBondContact O-CG2 3.44Å; K199-V203 PolarHBondContact O-N 3.25Å; L200-V203 PolarHBondContact O-N 3.45Å; L200-V203 VanDerWaalsContact O-N 3.15Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 2.86Å; V203-K206 PolarHBondContact O-N 3.25Å; V203-N207 PolarHBondContact O-N 3Å |
| 204 | A | 80.8 | Confident | 81.4 | Confident | 58 Ų | 58 | 91.7 Ų | 91.7 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L200 A201 K206 N207 K208 | L200-A204 PolarHBondContact O-N 3.34Å; A201-A204 PolarHBondContact O-N 2.95Å; A204-K206 PolarHBondContact O-N 2.98Å; A204-N207 PolarHBondContact O-N 2.9Å; A204-K208 PolarHBondContact O-N 3.35Å |
| 205 | L | 82.6 | Confident | 81.8 | Confident | 116 Ų | 116 | 92.8 Ų | 92.8 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 174 | -103.9 | 159 | 0 | 0 | 0 | 112.6 | A201 V203 K209 | A201-L205 WeakPolarHBondContact O-CB 3.39Å; A201-L205 PolarHBondContact O-N 3.13Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 2.86Å; L205-K209 PolarHBondContact O-N 3.43Å; L205-K209 VanDerWaalsContact O-N 3.15Å |
| 206 | K | 86.6 | Confident | 82.2 | Confident | 149 Ų | 149 | 95.2 Ų | 95.2 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -41.3 | 175.8 | -74.2 | -179.5 | 179.3 | -173.3 | 0 | 111.9 | N202 V203 A204 K209 L210 | N202-K206 WeakPolarHBondContact O-CG 3.4Å; N202-K206 PolarHBondContact O-N 3.47Å; N202-K206 VanDerWaalsContact O-N 3.12Å; V203-K206 PolarHBondContact O-N 3.25Å; A204-K206 PolarHBondContact O-N 2.98Å; K206-K209 PolarHBondContact O-N 2.88Å; K206-L210 WeakPolarHBondContact O-CG 3.45Å; K206-L210 PolarHBondContact O-N 3.44Å |
| 207 | N | 83.2 | Confident | 82.5 | Confident | 80 Ų | 80 | 98 Ų | 98 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.8 | -78.4 | 4.9 | 0 | 0 | 0 | 111.5 | V203 A204 K209 L210 E211 | V203-N207 PolarHBondContact O-N 3Å; A204-N207 PolarHBondContact O-N 2.9Å; N207-K209 PolarHBondContact O-N 2.89Å; N207-L210 PolarHBondContact O-N 2.61Å; N207-L210 VanDerWaalsContact O-N 3.09Å; N207-E211 WeakPolarHBondContact O-CG 3.44Å; N207-E211 PolarHBondContact O-N 2.95Å |
| 208 | K | 85.5 | Confident | 82.9 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 33% | 0.326 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 175.4 | -170.9 | 176.4 | -179.3 | -178.4 | 0 | 111.6 | E48 A204 Q212 | E48-K208 IonicContact OE1-NZ 3.06Å; E48-K208 PolarHBondContact OE1-NZ 3.16Å; A204-K208 PolarHBondContact O-N 3.35Å; K208-Q212 VanDerWaalsContact O-CG 3.31Å; K208-Q212 WeakPolarHBondContact O-CG 3.35Å; K208-Q212 PolarHBondContact O-N 2.96Å |
| 209 | K | 86.7 | Confident | 82.8 | Confident | 125 Ų | 125 | 98.7 Ų | 98.7 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 175.8 | -168.1 | -178 | 177.4 | -166.3 | 0 | 112.4 | L205 K206 N207 Q212 E213 | L205-K209 PolarHBondContact O-N 3.43Å; L205-K209 VanDerWaalsContact O-N 3.15Å; K206-K209 PolarHBondContact O-N 2.88Å; N207-K209 PolarHBondContact O-N 2.89Å; K209-Q212 PolarHBondContact O-N 3.19Å; K209-E213 VanDerWaalsContact CE-OE1 3.3Å; K209-E213 WeakPolarHBondContact CE-OE1 3.45Å; K209-E213 IonicContact NZ-OE1 3.85Å; K209-E213 WeakPolarHBondContact O-CG 3.45Å; K209-E213 PolarHBondContact O-N 3.29Å |
| 210 | L | 84.6 | Confident | 82.5 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.8 | -73 | 170.4 | 0 | 0 | 0 | 111.9 | K206 N207 E213 I214 | K206-L210 WeakPolarHBondContact O-CG 3.45Å; K206-L210 PolarHBondContact O-N 3.44Å; N207-L210 PolarHBondContact O-N 2.61Å; N207-L210 VanDerWaalsContact O-N 3.09Å; L210-E213 PolarHBondContact O-N 3.06Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 2.83Å |
| 211 | E | 85.9 | Confident | 81.6 | Confident | 116 Ų | 116 | 96 Ų | 96 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 173.1 | -74.3 | 168.4 | -179.6 | 0 | 0 | 110.8 | N207 E213 I214 D215 | N207-E211 WeakPolarHBondContact O-CG 3.44Å; N207-E211 PolarHBondContact O-N 2.95Å; E211-E213 PolarHBondContact O-N 3.02Å; E211-I214 WeakPolarHBondContact O-CB 3.37Å; E211-I214 PolarHBondContact O-N 3.26Å; E211-D215 PolarHBondContact O-N 3.1Å |
| 212 | Q | 86 | Confident | 80.7 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 174.6 | -73.1 | 174.5 | -16.1 | 0 | 0 | 113.2 | K208 K209 D215 L216 | K208-Q212 VanDerWaalsContact O-CG 3.31Å; K208-Q212 WeakPolarHBondContact O-CG 3.35Å; K208-Q212 PolarHBondContact O-N 2.96Å; K209-Q212 PolarHBondContact O-N 3.19Å; Q212-D215 PolarHBondContact O-N 2.99Å; Q212-L216 WeakPolarHBondContact O-CB 3.48Å; Q212-L216 PolarHBondContact O-N 3.27Å |
| 213 | E | 87.6 | Confident | 79.4 | Confident | 87 Ų | 87 | 102.3 Ų | 102.3 | 41% | 0.407 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 175 | -75.7 | 173.3 | -165.8 | 0 | 0 | 111.4 | K209 L210 E211 L217 | K209-E213 VanDerWaalsContact CE-OE1 3.3Å; K209-E213 WeakPolarHBondContact CE-OE1 3.45Å; K209-E213 IonicContact NZ-OE1 3.85Å; K209-E213 WeakPolarHBondContact O-CG 3.45Å; K209-E213 PolarHBondContact O-N 3.29Å; L210-E213 PolarHBondContact O-N 3.06Å; E211-E213 PolarHBondContact O-N 3.02Å; E213-L217 WeakPolarHBondContact O-CB 3.33Å; E213-L217 VanDerWaalsContact O-CG 3.28Å; E213-L217 WeakPolarHBondContact O-CG 3.38Å; E213-L217 PolarHBondContact O-N 3.1Å |
| 214 | I | 83 | Confident | 77.9 | Confident | 85 Ų | 85 | 105.2 Ų | 105.2 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 174.9 | -71.7 | 166 | 0 | 0 | 0 | 110.9 | L210 E211 L217 K218 | L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.4Å; L210-I214 PolarHBondContact O-N 2.83Å; E211-I214 WeakPolarHBondContact O-CB 3.37Å; E211-I214 PolarHBondContact O-N 3.26Å; I214-L217 PolarHBondContact O-N 2.91Å; I214-K218 HydrophobicContact CG2-CD 4.2Å; I214-K218 HydrophobicContact CG2-CG 4.47Å; I214-K218 WeakPolarHBondContact O-CG 3.37Å; I214-K218 PolarHBondContact O-N 3.15Å |
| 215 | D | 81.9 | Confident | 76.2 | Confident | 90 Ų | 90 | 109.2 Ų | 109.2 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 179.9 | -69.3 | -21.7 | 0 | 0 | 0 | 111.6 | E211 Q212 K218 A219 | E211-D215 PolarHBondContact O-N 3.1Å; Q212-D215 PolarHBondContact O-N 2.99Å; D215-K218 PolarHBondContact O-N 3.44Å; D215-K218 IonicContact OD1-NZ 3.78Å; D215-A219 WeakPolarHBondContact O-CB 3.4Å; D215-A219 PolarHBondContact O-N 2.98Å |
| 216 | L | 84.2 | Confident | 74.3 | Confident | 110 Ų | 110 | 106.4 Ų | 106.4 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61 | -43.5 | 169.7 | -84.1 | 165.8 | 0 | 0 | 0 | 112.2 | Q212 K218 A219 N220 | Q212-L216 WeakPolarHBondContact O-CB 3.48Å; Q212-L216 PolarHBondContact O-N 3.27Å; L216-K218 VanDerWaalsContact C-N 3.34Å; L216-A219 PolarHBondContact O-N 3.13Å; L216-N220 VanDerWaalsContact O-CG 3.25Å; L216-N220 PolarHBondContact O-N 3.36Å; L216-N220 PolarHBondContact O-ND2 3.31Å |
| 217 | L | 79.4 | Confident | 72.3 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -38.8 | 176.7 | -74.1 | 169.8 | 0 | 0 | 0 | 111.9 | E213 I214 L221 | E213-L217 WeakPolarHBondContact O-CB 3.33Å; E213-L217 VanDerWaalsContact O-CG 3.28Å; E213-L217 WeakPolarHBondContact O-CG 3.38Å; E213-L217 PolarHBondContact O-N 3.1Å; I214-L217 PolarHBondContact O-N 2.91Å; L217-L221 PolarHBondContact O-N 2.98Å; L217-L221 VanDerWaalsContact O-N 3.08Å |
| 218 | K | 81 | Confident | 70.9 | Confident | 119 Ų | 119 | 111 Ų | 111 | 52% | 0.517 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 174.4 | -74.7 | 174.5 | -177 | 168 | 0 | 112.2 | I214 D215 L216 L221 Q222 | I214-K218 HydrophobicContact CG2-CD 4.2Å; I214-K218 HydrophobicContact CG2-CG 4.47Å; I214-K218 WeakPolarHBondContact O-CG 3.37Å; I214-K218 PolarHBondContact O-N 3.15Å; D215-K218 PolarHBondContact O-N 3.44Å; D215-K218 IonicContact OD1-NZ 3.78Å; L216-K218 VanDerWaalsContact C-N 3.34Å; K218-L221 WeakPolarHBondContact O-CB 3.48Å; K218-L221 PolarHBondContact O-N 3.41Å; K218-Q222 PolarHBondContact O-N 3.22Å |
| 219 | A | 76.5 | Confident | 69 | Low | 43 Ų | 43 | 117 Ų | 117 | 36% | 0.355 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D215 L216 L221 Q222 D223 | D215-A219 WeakPolarHBondContact O-CB 3.4Å; D215-A219 PolarHBondContact O-N 2.98Å; L216-A219 PolarHBondContact O-N 3.13Å; A219-L221 PolarHBondContact O-N 3.2Å; A219-Q222 PolarHBondContact O-N 3.27Å; A219-D223 PolarHBondContact O-N 3.47Å; A219-D223 VanDerWaalsContact O-N 3.08Å |
| 220 | N | 72.8 | Confident | 67.4 | Low | 94 Ų | 94 | 115 Ų | 115 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.4 | -33.1 | 175.4 | -69.4 | -15 | 0 | 0 | 0 | 112.6 | L216 Q222 D224 | L216-N220 VanDerWaalsContact O-CG 3.25Å; L216-N220 PolarHBondContact O-N 3.36Å; L216-N220 PolarHBondContact O-ND2 3.31Å; N220-Q222 VanDerWaalsContact C-N 3.33Å; N220-D224 PolarHBondContact O-N 2.98Å |
| 221 | L | 63.1 | Low | 66.1 | Low | 123 Ų | 123 | 114.6 Ų | 114.6 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.6 | -28.3 | 174.3 | -92 | 155.3 | 0 | 0 | 0 | 113.1 | L217 K218 A219 | L217-L221 PolarHBondContact O-N 2.98Å; L217-L221 VanDerWaalsContact O-N 3.08Å; K218-L221 WeakPolarHBondContact O-CB 3.48Å; K218-L221 PolarHBondContact O-N 3.41Å; A219-L221 PolarHBondContact O-N 3.2Å |
| 222 | Q | 57.1 | Low | 64.8 | Low | 152 Ų | 152 | 115.1 Ų | 115.1 | 71% | 0.71 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -82.4 | -28.9 | 177.2 | -74.6 | -175.9 | -30.3 | 0 | 0 | 112.9 | K218 A219 N220 D224 | K218-Q222 PolarHBondContact O-N 3.22Å; A219-Q222 PolarHBondContact O-N 3.27Å; N220-Q222 VanDerWaalsContact C-N 3.33Å; Q222-D224 VanDerWaalsContact C-N 3.33Å |
| 223 | D | 55 | Low | 63.5 | Low | 134 Ų | 134 | 112.1 Ų | 112.1 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.1 | -21.6 | 175.7 | -78.3 | -19.8 | 0 | 0 | 0 | 113 | A219 D225 | A219-D223 PolarHBondContact O-N 3.47Å; A219-D223 VanDerWaalsContact O-N 3.08Å; D223-D225 VanDerWaalsContact C-N 3.34Å |
| 224 | D | 51.6 | Low | 62 | Low | 143 Ų | 143 | 114.6 Ų | 114.6 | 77% | 0.765 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 0.2 | 176 | -92.6 | -13.9 | 0 | 0 | 0 | 113.9 | N220 Q222 G226 | N220-D224 PolarHBondContact O-N 2.98Å; Q222-D224 VanDerWaalsContact C-N 3.33Å; D224-G226 VanDerWaalsContact C-N 3.26Å; D224-G226 PolarHBondContact O-N 3.01Å |
| 225 | D | 46.6 | Very low | 60.7 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 13.2 | 175.2 | -81.9 | -31 | 0 | 0 | 0 | 113.5 | D223 | D223-D225 VanDerWaalsContact C-N 3.34Š|
| 226 | G | 43.1 | Very low | 59.4 | Low | 56 Ų | 56 | 113.1 Ų | 113.1 | 58% | 0.577 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -100.1 | 106.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D224 | D224-G226 VanDerWaalsContact C-N 3.26Å; D224-G226 PolarHBondContact O-N 3.01Å |
| 227 | D | 44 | Very low | 58.1 | Low | 160 Ų | 160 | 113.8 Ų | 113.8 | 86% | 0.856 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 62.3 | 68.3 | 162.5 | -68.8 | -23.1 | 0 | 0 | 0 | 118.5 | ||
| 228 | L | 52.4 | Low | 57.1 | Low | 165 Ų | 165 | 112.8 Ų | 112.8 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | trans | -149.9 | 45.7 | 158.1 | -138.5 | 87.1 | 0 | 0 | 0 | 115.7 | D230 | L228-D230 PolarHBondContact O-N 3.28Š| ||
| 229 | Y | 47.2 | Very low | 56 | Low | 201 Ų | 201 | 112.4 Ų | 112.4 | 79% | 0.788 | 61% | 0.606 | S | S | * | * | trans | -92.3 | 74.9 | 162.7 | -142 | -88.3 | 0 | 0 | 0 | 110.3 | P231 | Y229-P231 WeakPolarHBondContact O-CD 3.49Š| ||
| 230 | D | 52.7 | Low | 55.2 | Low | 84 Ų | 84 | 114.1 Ų | 114.1 | 45% | 0.449 | 61% | 0.613 | S | S | . | * | trans | -84.7 | 107.4 | 161.1 | -176.2 | 0.6 | 0 | 0 | 0 | 108.4 | L228 N232 S233 T236 | L228-D230 PolarHBondContact O-N 3.28Å; D230-N232 PolarHBondContact O-N 3.39Å; D230-N232 WeakPolarHBondContact OD1-CB 3.27Å; D230-N232 PolarHBondContact OD1-N 3.32Å; D230-S233 WeakPolarHBondContact O-CB 3.21Å; D230-S233 PolarHBondContact O-N 3.29Å; D230-T236 PolarHBondContact O-OG1 3.46Å | ||
| 231 | P | 57 | Low | 54.6 | Low | 84 Ų | 84 | 115.5 Ų | 115.5 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -7 | 177.3 | 25 | -32.2 | 0 | 0 | 0 | 113.6 | Y229 | Y229-P231 WeakPolarHBondContact O-CD 3.49Š|
| 232 | N | 58.2 | Low | 54.4 | Low | 127 Ų | 127 | 114.1 Ų | 114.1 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 5.3 | 174.1 | -65.4 | -40.8 | 0 | 0 | 0 | 114.5 | D230 | D230-N232 PolarHBondContact O-N 3.39Å; D230-N232 WeakPolarHBondContact OD1-CB 3.27Å; D230-N232 PolarHBondContact OD1-N 3.32Å |
| 233 | S | 59.5 | Low | 54.6 | Low | 45 Ų | 45 | 111.6 Ų | 111.6 | 32% | 0.315 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -68.4 | 137.3 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | D230 C235 T236 | D230-S233 WeakPolarHBondContact O-CB 3.21Å; D230-S233 PolarHBondContact O-N 3.29Å; S233-C235 PolarHBondContact O-N 2.93Å; S233-T236 PolarHBondContact O-N 2.91Å; S233-T236 PolarHBondContact O-OG1 3.43Å |
| 234 | I | 56.6 | Low | 54.7 | Low | 140 Ų | 140 | 108.3 Ų | 108.3 | 72% | 0.718 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -51.8 | -28.9 | 177.5 | -78.3 | 166.6 | 0 | 0 | 0 | 112 | Q237 E238 | I234-Q237 PolarHBondContact O-N 3.29Å; I234-E238 HydrophobicContact CG2-CG 4.32Å; I234-E238 WeakPolarHBondContact O-CG 3.4Å; I234-E238 PolarHBondContact O-N 3.3Å |
| 235 | C | 54.2 | Low | 55 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.9 | -30.8 | -178.8 | -146.3 | 0 | 0 | 0 | 0 | 113.6 | S233 M239 | S233-C235 PolarHBondContact O-N 2.93Å; C235-M239 PolarHBondContact O-N 3.08Å |
| 236 | T | 54.3 | Low | 55.3 | Low | 52 Ų | 52 | 103 Ų | 103 | 32% | 0.319 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -83 | -18.4 | 178.1 | 41.6 | 0 | 0 | 0 | 0 | 113 | D230 S233 P240 | D230-T236 PolarHBondContact O-OG1 3.46Å; S233-T236 PolarHBondContact O-N 2.91Å; S233-T236 PolarHBondContact O-OG1 3.43Å; T236-P240 WeakPolarHBondContact O-CD 3.41Å |
| 237 | Q | 58.7 | Low | 55.9 | Low | 124 Ų | 124 | 108 Ų | 108 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -88.1 | -25.8 | 172.6 | -67.7 | -169.1 | -1 | 0 | 0 | 114 | I234 | I234-Q237 PolarHBondContact O-N 3.29Å |
| 238 | E | 58.5 | Low | 56.2 | Low | 89 Ų | 89 | 105.5 Ų | 105.5 | 42% | 0.416 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -89.8 | -28.8 | -179.2 | -73.3 | -80.1 | 127.6 | 0 | 0 | 113 | I234 K241 L242 | I234-E238 HydrophobicContact CG2-CG 4.32Å; I234-E238 WeakPolarHBondContact O-CG 3.4Å; I234-E238 PolarHBondContact O-N 3.3Å; E238-K241 WeakPolarHBondContact O-CB 3.34Å; E238-K241 PolarHBondContact O-N 3.08Å; E238-K241 IonicContact OE1-NZ 3.8Å; E238-L242 PolarHBondContact O-N 3.01Å |
| 239 | M | 57.6 | Low | 56.1 | Low | 110 Ų | 110 | 101.9 Ų | 101.9 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -56.5 | -43.8 | 179.1 | -109.6 | -72.1 | -177.7 | 0 | 0 | 114.2 | C235 K241 L242 L243 | C235-M239 PolarHBondContact O-N 3.08Å; M239-K241 VanDerWaalsContact C-N 3.3Å; M239-K241 PolarHBondContact O-N 2.87Å; M239-L242 PolarHBondContact O-N 3.02Å; M239-L243 WeakPolarHBondContact O-CB 3.4Å; M239-L243 PolarHBondContact O-N 3.47Å; M239-L243 HydrophobicContact SD-CD1 3.91Å; M239-L243 HydrophobicContact SD-CG 4.41Å |
| 240 | P | 58.7 | Low | 55.9 | Low | 79 Ų | 79 | 99.9 Ų | 99.9 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -31.8 | 175.3 | -21.6 | 33.2 | 0 | 0 | 0 | 113.2 | T236 S244 | T236-P240 WeakPolarHBondContact O-CD 3.41Å; P240-S244 WeakPolarHBondContact O-CB 3.49Å; P240-S244 PolarHBondContact O-N 2.89Å; P240-S244 VanDerWaalsContact O-N 3.09Å; P240-S244 PolarHBondContact O-OG 3.17Å |
| 241 | K | 60.8 | Low | 55.6 | Low | 123 Ų | 123 | 100.8 Ų | 100.8 | 54% | 0.535 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.2 | -38.1 | 174.9 | -70.5 | 177.8 | -176.7 | 167.1 | 0 | 111.5 | E238 M239 S244 S245 | E238-K241 WeakPolarHBondContact O-CB 3.34Å; E238-K241 PolarHBondContact O-N 3.08Å; E238-K241 IonicContact OE1-NZ 3.8Å; M239-K241 VanDerWaalsContact C-N 3.3Å; M239-K241 PolarHBondContact O-N 2.87Å; K241-S244 WeakPolarHBondContact CA-OG 3.43Å; K241-S244 PolarHBondContact O-OG 3.32Å; K241-S244 VanDerWaalsContact O-OG 3.06Å; K241-S245 WeakPolarHBondContact O-CB 3.05Å; K241-S245 PolarHBondContact O-N 2.86Å; K241-S245 PolarHBondContact O-OG 3.21Å |
| 242 | L | 58.8 | Low | 54.6 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.2 | -38.5 | 175.4 | -75.4 | 166.6 | 0 | 0 | 0 | 112.4 | E238 M239 S245 L246 | E238-L242 PolarHBondContact O-N 3.01Å; M239-L242 PolarHBondContact O-N 3.02Å; L242-S245 CarbonylContact O-C 3.59Å; L242-S245 WeakPolarHBondContact O-CB 3.38Å; L242-S245 PolarHBondContact O-N 2.97Å; L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 PolarHBondContact O-N 3.32Å |
| 243 | L | 60.4 | Low | 54 | Low | 99 Ų | 99 | 98.5 Ų | 98.5 | 52% | 0.518 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.2 | -38.4 | 175.5 | -89 | 154.7 | 0 | 0 | 0 | 112.9 | M239 S245 L246 Q247 | M239-L243 WeakPolarHBondContact O-CB 3.4Å; M239-L243 PolarHBondContact O-N 3.47Å; M239-L243 HydrophobicContact SD-CD1 3.91Å; M239-L243 HydrophobicContact SD-CG 4.41Å; L243-S245 VanDerWaalsContact C-N 3.34Å; L243-L246 PolarHBondContact O-N 2.9Å; L243-Q247 PolarHBondContact O-N 3.06Å |
| 244 | S | 58.4 | Low | 53 | Low | 65 Ų | 65 | 101.1 Ų | 101.1 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.5 | -30.2 | 172.1 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | P240 K241 T248 | P240-S244 WeakPolarHBondContact O-CB 3.49Å; P240-S244 PolarHBondContact O-N 2.89Å; P240-S244 VanDerWaalsContact O-N 3.09Å; P240-S244 PolarHBondContact O-OG 3.17Å; K241-S244 WeakPolarHBondContact CA-OG 3.43Å; K241-S244 PolarHBondContact O-OG 3.32Å; K241-S244 VanDerWaalsContact O-OG 3.06Å; S244-T248 PolarHBondContact O-OG1 2.69Å |
| 245 | S | 57.8 | Low | 52.3 | Low | 62 Ų | 62 | 103.3 Ų | 103.3 | 43% | 0.434 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.8 | -34.7 | 168.8 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | K241 L242 L243 T248 T249 | K241-S245 WeakPolarHBondContact O-CB 3.05Å; K241-S245 PolarHBondContact O-N 2.86Å; K241-S245 PolarHBondContact O-OG 3.21Å; L242-S245 CarbonylContact O-C 3.59Å; L242-S245 WeakPolarHBondContact O-CB 3.38Å; L242-S245 PolarHBondContact O-N 2.97Å; L243-S245 VanDerWaalsContact C-N 3.34Å; S245-T248 PolarHBondContact O-N 3.28Å; S245-T248 PolarHBondContact O-OG1 3.09Å; S245-T249 PolarHBondContact O-N 2.87Å; S245-T249 PolarHBondContact O-OG1 3.35Å |
| 246 | L | 52.9 | Low | 51.4 | Low | 113 Ų | 113 | 107.2 Ų | 107.2 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.4 | -38 | -179.8 | -109.8 | 132.5 | 0 | 0 | 0 | 112.9 | L242 L243 T248 T249 D250 | L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 PolarHBondContact O-N 3.32Å; L243-L246 PolarHBondContact O-N 2.9Å; L246-T248 PolarHBondContact O-N 3.39Å; L246-T249 VanDerWaalsContact CA-OG1 3.28Å; L246-T249 WeakPolarHBondContact CA-OG1 3.37Å; L246-T249 PolarHBondContact O-N 2.99Å; L246-T249 VanDerWaalsContact O-N 3.1Å; L246-T249 PolarHBondContact O-OG1 3.31Å; L246-D250 PolarHBondContact O-N 3.46Å |
| 247 | Q | 55.3 | Low | 50.6 | Low | 159 Ų | 159 | 111.9 Ų | 111.9 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.6 | -18.4 | 173.3 | -78.4 | -178 | -18.6 | 0 | 0 | 113.3 | L243 | L243-Q247 PolarHBondContact O-N 3.06Å |
| 248 | T | 51.4 | Low | 49.6 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -93.5 | -15.5 | 173.6 | 44.8 | 0 | 0 | 0 | 0 | 113.6 | S244 S245 L246 | S244-T248 PolarHBondContact O-OG1 2.69Å; S245-T248 PolarHBondContact O-N 3.28Å; S245-T248 PolarHBondContact O-OG1 3.09Å; L246-T248 PolarHBondContact O-N 3.39Å |
| 249 | T | 48.7 | Very low | 48.5 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 54% | 0.54 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -88.7 | -13.3 | 177 | 40.1 | 0 | 0 | 0 | 0 | 115.4 | S245 L246 A251 G252 | S245-T249 PolarHBondContact O-N 2.87Å; S245-T249 PolarHBondContact O-OG1 3.35Å; L246-T249 VanDerWaalsContact CA-OG1 3.28Å; L246-T249 WeakPolarHBondContact CA-OG1 3.37Å; L246-T249 PolarHBondContact O-N 2.99Å; L246-T249 VanDerWaalsContact O-N 3.1Å; L246-T249 PolarHBondContact O-OG1 3.31Å; T249-A251 PolarHBondContact O-N 3.24Å; T249-G252 PolarHBondContact O-N 2.95Å |
| 250 | D | 44.5 | Very low | 47.3 | Very low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 1.2 | 179.1 | -130 | 4.3 | 0 | 0 | 0 | 114 | L246 | L246-D250 PolarHBondContact O-N 3.46Š|
| 251 | A | 44.7 | Very low | 46.4 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 2.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T249 | T249-A251 PolarHBondContact O-N 3.24Š|
| 252 | G | 37.6 | Very low | 45.1 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -134.5 | -5.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 119 | T249 | T249-G252 PolarHBondContact O-N 2.95Š|
| 253 | A | 45.1 | Very low | 43.8 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | trans | -107.9 | 83.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M255 | A253-M255 PolarHBondContact O-N 2.86Å; A253-M255 VanDerWaalsContact O-N 3.08Å | ||
| 254 | S | 38.7 | Very low | 42.7 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -61.2 | 100.5 | 160.9 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 255 | M | 40.7 | Very low | 41.5 | Very low | 186 Ų | 186 | 133 Ų | 133 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -103 | 91.5 | 159.3 | -97.2 | -165.6 | 179.8 | 0 | 0 | 109.9 | A253 | A253-M255 PolarHBondContact O-N 2.86Å; A253-M255 VanDerWaalsContact O-N 3.08Å | ||
| 256 | K | 35.8 | Very low | 40.4 | Very low | 172 Ų | 172 | 135 Ų | 135 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -57.2 | 146.6 | 151.2 | -71.2 | 172.5 | 174.3 | 175 | 0 | 109.2 | ||||
| 257 | N | 37.5 | Very low | 39.4 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 73.7 | 92.1 | 170 | -59.2 | -15 | 0 | 0 | 0 | 115.5 | ||||
| 258 | I | 38.8 | Very low | 38.3 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | -175.5 | 79.7 | 112.1 | -72.9 | 139.3 | 0 | 0 | 0 | 105.6 | |||||
| 259 | H | 33.8 | Very low | 37.4 | Very low | 192 Ų | 192 | 137 Ų | 137 | 89% | 0.889 | 78% | 0.777 | S | S | * | * | trans | -124.2 | 74.8 | 161.5 | -99.5 | 7.7 | 0 | 0 | 0 | 106.7 | ||||
| 260 | E | 33.3 | Very low | 36.7 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -136.6 | 69 | 166.1 | -156.8 | 172.4 | -149.5 | 0 | 0 | 107.3 | ||||
| 261 | T | 39.9 | Very low | 35.9 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -130.3 | 93.9 | 168.1 | 47.3 | 0 | 0 | 0 | 0 | 108.1 | H263 | T261-H263 PolarHBondContact O-N 2.95Š| ||
| 262 | V | 34 | Very low | 35.2 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | 17.2 | 94.8 | 137 | -172.3 | 0 | 0 | 0 | 0 | 113.5 | L264 | V262-L264 HydrophobicContact CG1-CG 4.08Å; V262-L264 PolarHBondContact O-N 3.29Å | ||
| 263 | H | 31.6 | Very low | 34.8 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -63.8 | 95.1 | 162.1 | -84.2 | -83.7 | 0 | 0 | 0 | 109.2 | T261 N265 | T261-H263 PolarHBondContact O-N 2.95Å; H263-N265 PolarHBondContact O-N 2.96Å | ||
| 264 | L | 35.4 | Very low | 34.1 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -84.9 | 97.4 | 155.9 | -74.5 | 171.6 | 0 | 0 | 0 | 107.5 | V262 | V262-L264 HydrophobicContact CG1-CG 4.08Å; V262-L264 PolarHBondContact O-N 3.29Å | ||
| 265 | N | 34.7 | Very low | 33.8 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | trans | -55.9 | 129.4 | 166.9 | -79.5 | -24.9 | 0 | 0 | 0 | 109.7 | H263 V267 | H263-N265 PolarHBondContact O-N 2.96Å; N265-V267 PolarHBondContact O-N 3.47Å | ||
| 266 | P | 34.2 | Very low | 33.1 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -73.2 | 97.1 | 167.6 | 29.3 | -28.8 | 0 | 0 | 0 | 107.7 | H268 | P266-H268 PolarHBondContact O-N 2.92Å; P266-H268 PolarHBondContact O-ND1 3.01Å; P266-H268 VanDerWaalsContact O-ND1 3.1Å | ||
| 267 | V | 32.1 | Very low | 33.3 | Very low | 141 Ų | 141 | 146 Ų | 146 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -58.5 | 112.4 | 173.6 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | N265 | N265-V267 PolarHBondContact O-N 3.47Š| ||
| 268 | H | 32.8 | Very low | 33.1 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -57.4 | 143.6 | 178.5 | -74.4 | 6.5 | 0 | 0 | 0 | 112.8 | P266 R270 | P266-H268 PolarHBondContact O-N 2.92Å; P266-H268 PolarHBondContact O-ND1 3.01Å; P266-H268 VanDerWaalsContact O-ND1 3.1Å; H268-R270 PolarHBondContact O-N 3.04Å | ||
| 269 | S | 30.6 | Very low | 33.3 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -23.4 | 110 | 160.2 | -53.5 | 0 | 0 | 0 | 0 | 114.5 | A271 | S269-A271 VanDerWaalsContact C-N 3.28Å; S269-A271 PolarHBondContact O-N 3.42Å; S269-A271 VanDerWaalsContact O-N 3.13Å | ||
| 270 | R | 34.4 | Very low | 33.2 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -85.9 | 74.8 | 166.6 | -162.5 | 169.3 | 179 | 155.5 | -1.5 | 109.4 | H268 | H268-R270 PolarHBondContact O-N 3.04Š| ||
| 271 | A | 28.6 | Very low | 33.2 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -120.8 | 74.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S269 | S269-A271 VanDerWaalsContact C-N 3.28Å; S269-A271 PolarHBondContact O-N 3.42Å; S269-A271 VanDerWaalsContact O-N 3.13Å | ||
| 272 | A | 29.1 | Very low | 32.8 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -171.2 | 109.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 273 | L | 29.8 | Very low | 32.7 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 174.7 | 86.8 | 148.4 | -92.8 | 167.4 | 0 | 0 | 0 | 107.4 | ||||
| 274 | H | 29.8 | Very low | 32.9 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | -155.7 | 106.9 | 142 | -100.3 | -57 | 0 | 0 | 0 | 107.9 | ||||
| 275 | D | 32.9 | Very low | 32.9 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -121.2 | 128.2 | 149.3 | -113.6 | -20.4 | 0 | 0 | 0 | 106.1 | ||||
| 276 | N | 26.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -84.4 | 135 | -178.9 | -69.4 | -45.2 | 0 | 0 | 0 | 109.9 | ||||
| 277 | S | 38.8 | Very low | 32.4 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -164.6 | 96.9 | 140.7 | 4.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 278 | E | 34.4 | Very low | 32.3 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 70.8 | 148 | 141.3 | -68.8 | -166.6 | 163.4 | 0 | 0 | 125.6 | ||||
| 279 | P | 42.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | trans | -123.7 | 145.8 | -155.5 | 37.7 | -19.4 | 0 | 0 | 0 | 114.9 | ||||
| 280 | V | 31.7 | Very low | 32.5 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -146.7 | 113.6 | 164.2 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 281 | S | 33.5 | Very low | 32.4 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 54.5 | 123.2 | 147.5 | 75.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 282 | G | 32 | Very low | 32.5 | Very low | 80 Ų | 80 | 141 Ų | 141 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 157.3 | 80 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 283 | T | 31.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -62 | 173.6 | 168 | 35.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 284 | P | 35.8 | Very low | 32.8 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | cis | -140.5 | 159.9 | -23.2 | 32.5 | -12.8 | 0 | 0 | 0 | 114.6 | ||||
| 285 | S | 35.3 | Very low | 33 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | -170.8 | 136.6 | 124.3 | 73.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 286 | S | 29.6 | Very low | 33 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -87.1 | 121.2 | -168.4 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 287 | H | 28 | Very low | 33.4 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 82% | 0.819 | 82% | 0.821 | S | S | * | * | trans | 168.9 | 89.1 | 133.1 | -97.2 | -69 | 0 | 0 | 0 | 108.9 | ||||
| 288 | V | 31 | Very low | 32.9 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -133.5 | 113.5 | 159.7 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | Q290 | V288-Q290 PolarHBondContact O-N 3.43Å; V288-Q290 VanDerWaalsContact O-N 3.1Å | ||
| 289 | L | 34 | Very low | 32.8 | Very low | 174 Ų | 174 | 141 Ų | 141 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -63.8 | 106.2 | 173.4 | -78.3 | 161.2 | 0 | 0 | 0 | 109.2 | R291 | L289-R291 PolarHBondContact O-N 2.92Š| ||
| 290 | Q | 33.3 | Very low | 32.2 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -79.2 | 114.9 | 170.9 | -121.3 | 175 | -2.3 | 0 | 0 | 110 | V288 | V288-Q290 PolarHBondContact O-N 3.43Å; V288-Q290 VanDerWaalsContact O-N 3.1Å | ||
| 291 | R | 32.2 | Very low | 32.1 | Very low | 234 Ų | 234 | 138.1 Ų | 138.1 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | 23.9 | 128.5 | 142.1 | -66.8 | 179.1 | 174.7 | 174.4 | -2.5 | 119.4 | L289 | L289-R291 PolarHBondContact O-N 2.92Š| ||
| 292 | A | 30.7 | Very low | 31.9 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -132.9 | 96.4 | 134.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 293 | A | 28.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 149.4 Ų | 149.4 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -109.3 | 93.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 294 | T | 37.2 | Very low | 31.7 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -102.5 | 113.9 | 167.5 | 24.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 295 | I | 32.5 | Very low | 31.5 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -71.9 | 139.2 | 163.7 | -61.6 | 161.7 | 0 | 0 | 0 | 107.6 | ||||
| 296 | P | 34.4 | Very low | 31.4 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -117.5 | 125 | 153.7 | 19 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 297 | K | 34.1 | Very low | 31.4 | Very low | 182 Ų | 182 | 150 Ų | 150 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -64 | 145.2 | 161.4 | -73.1 | 178.6 | 172.2 | -176.9 | 0 | 109.6 | ||||
| 298 | E | 28.6 | Very low | 31.6 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | 37.1 | 111.6 | 155.3 | -76.3 | 174.4 | 134.4 | 0 | 0 | 118.4 | ||||
| 299 | I | 32.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 149 Ų | 149 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -145.1 | 111.7 | 131.5 | -79.6 | 119.8 | 0 | 0 | 0 | 107.2 | A301 | I299-A301 HydrophobicContact CG2-CB 4.28Š| ||
| 300 | A | 30.2 | Very low | 31.3 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -70.7 | 114.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 301 | A | 29.9 | Very low | 31.2 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | 175.4 | 111.5 | 153 | 0 | 0 | 0 | 0 | 0 | 109.4 | I299 | I299-A301 HydrophobicContact CG2-CB 4.28Š| ||
| 302 | E | 27.9 | Very low | 31.1 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -7.6 | 115.9 | 156 | -60.6 | 173.5 | 150.9 | 0 | 0 | 116.9 | ||||
| 303 | R | 31.5 | Very low | 31.3 | Very low | 241 Ų | 241 | 139.8 Ų | 139.8 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -155.4 | 145.6 | 139.4 | -77.5 | -151.3 | 175.3 | 162.3 | -1.1 | 111.2 | ||||
| 304 | P | 29.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -77.4 | 147.3 | -164 | 32.2 | -34.4 | 0 | 0 | 0 | 112.3 | A306 | P304-A306 PolarHBondContact O-N 3.01Š| ||
| 305 | I | 31.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -59.7 | 103.1 | 177.5 | -61.2 | 164.8 | 0 | 0 | 0 | 109 | T307 | I305-T307 PolarHBondContact O-N 3.37Š| ||
| 306 | A | 31.5 | Very low | 31.3 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | trans | -67.6 | 117.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P304 T308 | P304-A306 PolarHBondContact O-N 3.01Å; A306-T308 VanDerWaalsContact C-N 3.32Å; A306-T308 PolarHBondContact O-N 2.89Å | ||
| 307 | T | 30 | Very low | 31.1 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -64.8 | 86.1 | 169.2 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | I305 Q309 | I305-T307 PolarHBondContact O-N 3.37Å; T307-Q309 PolarHBondContact O-N 3.22Å | ||
| 308 | T | 33.2 | Very low | 31.1 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -85.6 | 113.7 | 171.1 | -42.6 | 0 | 0 | 0 | 0 | 109.1 | A306 L310 | A306-T308 VanDerWaalsContact C-N 3.32Å; A306-T308 PolarHBondContact O-N 2.89Å; T308-L310 PolarHBondContact O-N 3.39Å | ||
| 309 | Q | 27.8 | Very low | 31.3 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -54.7 | 116.1 | 179.9 | -63.1 | -179 | -8.1 | 0 | 0 | 111.6 | T307 S311 | T307-Q309 PolarHBondContact O-N 3.22Å; Q309-S311 PolarHBondContact O-N 3.47Å | ||
| 310 | L | 31 | Very low | 31.5 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -74.9 | 79.2 | 161.6 | -89.8 | 156 | 0 | 0 | 0 | 108.4 | T308 | T308-L310 PolarHBondContact O-N 3.39Š| ||
| 311 | S | 30.9 | Very low | 31.6 | Very low | 77 Ų | 77 | 150.1 Ų | 150.1 | 54% | 0.538 | 79% | 0.794 | S | S | . | * | trans | -106.7 | 126.2 | 168.5 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | Q309 | Q309-S311 PolarHBondContact O-N 3.47Š| ||
| 312 | T | 30.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 153 Ų | 153 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 88.3 | 125.3 | 162.2 | 64.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 313 | P | 34.3 | Very low | 32.3 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -71.8 | 139.2 | 168.7 | 29.9 | -29.6 | 0 | 0 | 0 | 109.8 | T315 | P313-T315 PolarHBondContact O-N 3.18Š| ||
| 314 | R | 31.2 | Very low | 32.6 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -58.1 | 99.1 | 179.9 | -169.8 | 175.4 | -175.3 | 164.3 | 0 | 111.1 | ||||
| 315 | T | 31.4 | Very low | 33 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -65.7 | 135.9 | 157.5 | 22.4 | 0 | 0 | 0 | 0 | 108.8 | P313 D317 | P313-T315 PolarHBondContact O-N 3.18Å; T315-D317 PolarHBondContact O-N 2.97Å | ||
| 316 | P | 35.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -67.1 | 125.4 | 178.2 | 26.3 | -30.7 | 0 | 0 | 0 | 110 | R318 | P316-R318 VanDerWaalsContact C-N 3.28Å; P316-R318 PolarHBondContact O-N 3.48Å | ||
| 317 | D | 29.6 | Very low | 33.3 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -63.1 | 86 | 171.5 | -79.2 | -40.9 | 0 | 0 | 0 | 110.5 | T315 | T315-D317 PolarHBondContact O-N 2.97Š| ||
| 318 | R | 34.2 | Very low | 33.3 | Very low | 236 Ų | 236 | 153 Ų | 153 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -135.7 | 52.5 | 155.9 | -108.6 | -172.1 | -177.7 | -171.2 | 2.5 | 109.3 | P316 T320 | P316-R318 VanDerWaalsContact C-N 3.28Å; P316-R318 PolarHBondContact O-N 3.48Å; R318-T320 PolarHBondContact O-N 2.97Å | ||
| 319 | I | 32.6 | Very low | 33.6 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -85.1 | 93.7 | 154.9 | -59.8 | 176.2 | 0 | 0 | 0 | 105.4 | K321 | I319-K321 PolarHBondContact O-N 3.47Š| ||
| 320 | T | 37 | Very low | 33.9 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | -46 | 128.5 | 154.5 | 31.5 | 0 | 0 | 0 | 0 | 107.7 | R318 L322 | R318-T320 PolarHBondContact O-N 2.97Å; T320-L322 VanDerWaalsContact C-N 3.33Å; T320-L322 PolarHBondContact O-N 3.25Å | ||
| 321 | K | 32.8 | Very low | 34.8 | Very low | 211 Ų | 211 | 142.4 Ų | 142.4 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | trans | -45.9 | 99.7 | 170.3 | -75.4 | 177.5 | 174.9 | 178.9 | 0 | 108.5 | I319 N323 | I319-K321 PolarHBondContact O-N 3.47Å; K321-N323 PolarHBondContact O-N 2.99Å | ||
| 322 | L | 37.2 | Very low | 35.5 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | -78.2 | 108.2 | 179 | -148.8 | 96.1 | 0 | 0 | 0 | 105.9 | T320 E324 | T320-L322 VanDerWaalsContact C-N 3.33Å; T320-L322 PolarHBondContact O-N 3.25Å; L322-E324 PolarHBondContact O-N 3.48Å | ||
| 323 | N | 35.7 | Very low | 36.2 | Very low | 116 Ų | 116 | 148 Ų | 148 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | -47.2 | 117.5 | 173.9 | -158.5 | -0 | 0 | 0 | 0 | 109.6 | K321 N325 | K321-N323 PolarHBondContact O-N 2.99Å; N323-N325 PolarHBondContact O-N 3.35Å | ||
| 324 | E | 36.9 | Very low | 36.7 | Very low | 194 Ų | 194 | 149.4 Ų | 149.4 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 14.6 | -173.8 | -68.2 | -178.7 | 157.6 | 0 | 0 | 114.6 | L322 | L322-E324 PolarHBondContact O-N 3.48Š|
| 325 | N | 38.6 | Very low | 37.3 | Very low | 142 Ų | 142 | 144 Ų | 144 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 22.9 | -172.4 | -81.7 | -24.6 | 0 | 0 | 0 | 115.5 | N323 | N323-N325 PolarHBondContact O-N 3.35Š|
| 326 | I | 35.3 | Very low | 37.9 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | trans | -111.7 | 118.9 | 174.6 | -53.3 | 178.5 | 0 | 0 | 0 | 110.1 | Y328 | I326-Y328 PolarHBondContact O-N 3.07Š| ||
| 327 | P | 34.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | trans | -66.4 | 129.3 | 177 | 27.9 | -31.1 | 0 | 0 | 0 | 109.6 | S329 | P327-S329 PolarHBondContact O-N 3.39Š| ||
| 328 | Y | 28.8 | Very low | 39.3 | Very low | 237 Ų | 237 | 136.9 Ų | 136.9 | 93% | 0.929 | 68% | 0.683 | S | S | * | * | trans | -31.5 | 113.3 | 179.8 | -86.1 | -101.1 | 0 | 0 | 0 | 114.5 | I326 | I326-Y328 PolarHBondContact O-N 3.07Š| ||
| 329 | S | 39.9 | Very low | 39.8 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 131.4 | 156.7 | 77.3 | 0 | 0 | 0 | 0 | 108.9 | P327 | P327-S329 PolarHBondContact O-N 3.39Š|
| 330 | P | 34.9 | Very low | 40.4 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 46% | 0.461 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 140.9 | 176.8 | -16.1 | 28.5 | 0 | 0 | 0 | 110.5 | K334 R335 | P330-K334 HydrophobicContact CB-CB 3.96Å; P330-K334 HydrophobicContact CB-CD 4.45Å; P330-R335 PolarHBondContact O-NE 3.46Å |
| 331 | S | 48.2 | Very low | 41 | Very low | 76 Ų | 76 | 127 Ų | 127 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -52 | 148.2 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | R333 K334 R335 | S331-R333 PolarHBondContact O-N 3.24Å; S331-K334 WeakPolarHBondContact O-CA 3.3Å; S331-K334 PolarHBondContact O-N 2.88Å; S331-R335 PolarHBondContact O-N 2.98Å |
| 332 | L | 46.7 | Very low | 41.4 | Very low | 117 Ų | 117 | 122 Ų | 122 | 61% | 0.613 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -48.3 | -38.4 | -175.4 | -132.1 | 110.6 | 0 | 0 | 0 | 112.3 | K334 R335 T336 | L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 3.16Å; L332-R335 PolarHBondContact O-N 3.42Å; L332-R335 VanDerWaalsContact O-N 3.08Å; L332-T336 PolarHBondContact O-N 2.9Å; L332-T336 PolarHBondContact O-OG1 3.47Å |
| 333 | R | 44.3 | Very low | 41.7 | Very low | 209 Ų | 209 | 120.6 Ų | 120.6 | 79% | 0.789 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.3 | -32.1 | 177.8 | -148 | 175 | -171.9 | -175.6 | 1.8 | 114.2 | S331 L337 | S331-R333 PolarHBondContact O-N 3.24Å; R333-L337 PolarHBondContact O-N 2.9Å |
| 334 | K | 45.7 | Very low | 42.1 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.3 | -30.2 | 173.1 | -81.1 | -172.7 | 174.4 | -177.2 | 0 | 112.5 | P330 S331 L332 A338 | P330-K334 HydrophobicContact CB-CB 3.96Å; P330-K334 HydrophobicContact CB-CD 4.45Å; S331-K334 WeakPolarHBondContact O-CA 3.3Å; S331-K334 PolarHBondContact O-N 2.88Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 3.16Å; K334-A338 WeakPolarHBondContact O-CB 3.42Å; K334-A338 PolarHBondContact O-N 2.69Å |
| 335 | R | 43.7 | Very low | 42.4 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.4 | -41.1 | 175.7 | -76.9 | -172.6 | -85.7 | 155.3 | -3.3 | 112 | P330 S331 L332 A338 V339 | P330-R335 PolarHBondContact O-NE 3.46Å; S331-R335 PolarHBondContact O-N 2.98Å; L332-R335 PolarHBondContact O-N 3.42Å; L332-R335 VanDerWaalsContact O-N 3.08Å; R335-A338 PolarHBondContact O-N 3.39Å; R335-V339 WeakPolarHBondContact O-CG2 3.42Å; R335-V339 PolarHBondContact O-N 2.86Å |
| 336 | T | 44.9 | Very low | 42.5 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 53% | 0.528 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.6 | -37.1 | 178.4 | -42 | 0 | 0 | 0 | 0 | 112.3 | L332 C340 | L332-T336 PolarHBondContact O-N 2.9Å; L332-T336 PolarHBondContact O-OG1 3.47Å; T336-C340 PolarHBondContact O-N 2.91Å; T336-C340 PolarHBondContact O-SG 3.45Å |
| 337 | L | 43.6 | Very low | 42.7 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.3 | -36.5 | 176.1 | -77.9 | 167.1 | 0 | 0 | 0 | 112.9 | R333 V339 C340 E341 | R333-L337 PolarHBondContact O-N 2.9Å; L337-V339 PolarHBondContact O-N 2.74Å; L337-C340 PolarHBondContact O-N 3.44Å; L337-E341 WeakPolarHBondContact O-CB 3.36Å; L337-E341 WeakPolarHBondContact O-CG 3.3Å; L337-E341 PolarHBondContact O-N 3Å |
| 338 | A | 49.7 | Very low | 43 | Very low | 54 Ų | 54 | 117.9 Ų | 117.9 | 45% | 0.446 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K334 R335 E342 | K334-A338 WeakPolarHBondContact O-CB 3.42Å; K334-A338 PolarHBondContact O-N 2.69Å; R335-A338 PolarHBondContact O-N 3.39Å; A338-E342 WeakPolarHBondContact O-CB 3.5Å; A338-E342 PolarHBondContact O-N 3.38Å |
| 339 | V | 45.7 | Very low | 43.1 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.6 | -35.4 | 177 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | R335 L337 | R335-V339 WeakPolarHBondContact O-CG2 3.42Å; R335-V339 PolarHBondContact O-N 2.86Å; L337-V339 PolarHBondContact O-N 2.74Å |
| 340 | C | 44.1 | Very low | 43 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 53% | 0.534 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.2 | -37.3 | 174.2 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | T336 L337 T344 | T336-C340 PolarHBondContact O-N 2.91Å; T336-C340 PolarHBondContact O-SG 3.45Å; L337-C340 PolarHBondContact O-N 3.44Å; C340-T344 PolarHBondContact O-N 2.94Å; C340-T344 PolarHBondContact O-OG1 3.39Å; C340-T344 VanDerWaalsContact O-OG1 3.12Å |
| 341 | E | 48.7 | Very low | 42.8 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.6 | -33.8 | 177.6 | -77.4 | -175.8 | 173.9 | 0 | 0 | 113 | L337 T344 R345 | L337-E341 WeakPolarHBondContact O-CB 3.36Å; L337-E341 WeakPolarHBondContact O-CG 3.3Å; L337-E341 PolarHBondContact O-N 3Å; E341-T344 WeakPolarHBondContact CA-OG1 3.32Å; E341-T344 PolarHBondContact O-N 3.49Å; E341-T344 PolarHBondContact O-OG1 3.07Å; E341-R345 PolarHBondContact O-N 2.97Å |
| 342 | E | 42.6 | Very low | 42.3 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 49% | 0.486 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.6 | -35.6 | 178.5 | -162.9 | 178.5 | 160.8 | 0 | 0 | 112.6 | A338 R345 K346 | A338-E342 WeakPolarHBondContact O-CB 3.5Å; A338-E342 PolarHBondContact O-N 3.38Å; E342-R345 PolarHBondContact O-N 3.39Å; E342-K346 HydrophobicContact CG-CD 4.46Å; E342-K346 PolarHBondContact O-N 3.16Å; E342-K346 IonicContact OE1-NZ 3.86Å; E342-K346 PolarHBondContact OE1-NZ 2.75Å |
| 343 | N | 43.9 | Very low | 41.6 | Very low | 115 Ų | 115 | 126 Ų | 126 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.2 | -36.3 | 174.4 | -82 | -12.1 | 0 | 0 | 0 | 112.4 | S347 | N343-S347 PolarHBondContact O-N 3.27Å |
| 344 | T | 42.5 | Very low | 41.1 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72 | -30.2 | 174.7 | 42.6 | 0 | 0 | 0 | 0 | 113.2 | C340 E341 S347 | C340-T344 PolarHBondContact O-N 2.94Å; C340-T344 PolarHBondContact O-OG1 3.39Å; C340-T344 VanDerWaalsContact O-OG1 3.12Å; E341-T344 WeakPolarHBondContact CA-OG1 3.32Å; E341-T344 PolarHBondContact O-N 3.49Å; E341-T344 PolarHBondContact O-OG1 3.07Å; T344-S347 PolarHBondContact O-OG 2.86Å |
| 345 | R | 43 | Very low | 40.7 | Very low | 209 Ų | 209 | 122.2 Ų | 122.2 | 79% | 0.789 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -78.6 | -28.4 | 175.1 | -85 | -176.8 | 171.3 | 167 | -0 | 114 | E341 E342 S347 | E341-R345 PolarHBondContact O-N 2.97Å; E342-R345 PolarHBondContact O-N 3.39Å; R345-S347 VanDerWaalsContact C-N 3.31Å |
| 346 | K | 41.1 | Very low | 40.1 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.3 | -14 | 172.4 | -78.5 | 173.2 | 173.5 | 160.9 | 0 | 113.9 | E342 | E342-K346 HydrophobicContact CG-CD 4.46Å; E342-K346 PolarHBondContact O-N 3.16Å; E342-K346 IonicContact OE1-NZ 3.86Å; E342-K346 PolarHBondContact OE1-NZ 2.75Å |
| 347 | S | 40.8 | Very low | 39.4 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 1.3 | 177 | 83.8 | 0 | 0 | 0 | 0 | 115.2 | N343 T344 R345 | N343-S347 PolarHBondContact O-N 3.27Å; T344-S347 PolarHBondContact O-OG 2.86Å; R345-S347 VanDerWaalsContact C-N 3.31Å |
| 348 | S | 39.7 | Very low | 38.8 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -120.7 | 59.2 | -176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 349 | M | 32.1 | Very low | 37.8 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -178.7 | 122.3 | 150 | -105.2 | 163.3 | 101.7 | 0 | 0 | 109.2 | ||
| 350 | K | 36.3 | Very low | 37.1 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | trans | 91.1 | 102.2 | -175.3 | -62.1 | -178.7 | 174.1 | -179.6 | 0 | 114.8 | I352 | K350-I352 PolarHBondContact O-N 2.95Å; K350-I352 VanDerWaalsContact O-N 3.16Å | ||
| 351 | A | 32.2 | Very low | 36.4 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -47.1 | 116.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | T353 | A351-T353 PolarHBondContact O-N 3.45Š| ||
| 352 | I | 36.4 | Very low | 35.4 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | -84.9 | 100.9 | 161.4 | -61.4 | 175.1 | 0 | 0 | 0 | 105.1 | K350 L354 | K350-I352 PolarHBondContact O-N 2.95Å; K350-I352 VanDerWaalsContact O-N 3.16Å; I352-L354 PolarHBondContact O-N 3.49Å | ||
| 353 | T | 32.6 | Very low | 34.8 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -45.4 | 126.1 | 162.3 | 11.3 | 0 | 0 | 0 | 0 | 109.9 | A351 | A351-T353 PolarHBondContact O-N 3.45Š| ||
| 354 | L | 34.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -50.6 | 138.4 | 166.6 | -78.3 | 143 | 0 | 0 | 0 | 110.3 | I352 S356 | I352-L354 PolarHBondContact O-N 3.49Å; L354-S356 PolarHBondContact O-N 2.9Å | ||
| 355 | P | 36.5 | Very low | 33.5 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -72.4 | 110.5 | 145.9 | 8.2 | 9 | 0 | 0 | 0 | 107.1 | ||||
| 356 | S | 31.5 | Very low | 33 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -56 | 149.8 | 152.7 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | L354 | L354-S356 PolarHBondContact O-N 2.9Š| ||
| 357 | E | 30.4 | Very low | 32.7 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 80 | 125.4 | 173.6 | -48.8 | 168.2 | -175.8 | 0 | 0 | 112.8 | ||||
| 358 | T | 30.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | cis | -163.3 | 114 | 16 | -10.3 | 0 | 0 | 0 | 0 | 105.9 | V360 | T358-V360 VanDerWaalsContact C-N 3.26Å; T358-V360 PolarHBondContact O-N 3.08Å | ||
| 359 | Y | 29.1 | Very low | 32 | Very low | 246 Ų | 246 | 141.7 Ų | 141.7 | 97% | 0.965 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 91.1 | 159.3 | -89.1 | -89.9 | 0 | 0 | 0 | 106.7 | S361 | Y359-S361 PolarHBondContact O-N 3.05Å; Y359-S361 VanDerWaalsContact O-N 3.15Å | ||
| 360 | V | 31.2 | Very low | 31.9 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -63.1 | 114.7 | 162.7 | 175 | 0 | 0 | 0 | 0 | 106.3 | T358 C362 | T358-V360 VanDerWaalsContact C-N 3.26Å; T358-V360 PolarHBondContact O-N 3.08Å; V360-C362 PolarHBondContact O-N 2.63Å | ||
| 361 | S | 30.3 | Very low | 31.6 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -51.5 | 107.9 | 167.2 | 59.1 | 0 | 0 | 0 | 0 | 108.7 | Y359 N363 | Y359-S361 PolarHBondContact O-N 3.05Å; Y359-S361 VanDerWaalsContact O-N 3.15Å; S361-N363 VanDerWaalsContact C-N 3.34Å; S361-N363 PolarHBondContact O-N 3.39Å | ||
| 362 | C | 28 | Very low | 31.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -69 | 103.1 | 162.9 | -144.2 | 0 | 0 | 0 | 0 | 105.7 | V360 V364 | V360-C362 PolarHBondContact O-N 2.63Å; C362-V364 PolarHBondContact O-N 3.4Å | ||
| 363 | N | 28.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -54.1 | 88.6 | 169.1 | -95.2 | -37.5 | 0 | 0 | 0 | 108.9 | S361 K365 | S361-N363 VanDerWaalsContact C-N 3.34Å; S361-N363 PolarHBondContact O-N 3.39Å; N363-K365 VanDerWaalsContact C-N 3.31Å; N363-K365 PolarHBondContact O-N 3.24Å; N363-K365 VanDerWaalsContact O-N 3.11Å | ||
| 364 | V | 30.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | -71.3 | 100.3 | 154.3 | -176.9 | 0 | 0 | 0 | 0 | 104.4 | C362 V366 | C362-V364 PolarHBondContact O-N 3.4Å; V364-V366 HydrophobicContact CG1-CG2 3.88Å; V364-V366 PolarHBondContact O-N 2.94Å | ||
| 365 | K | 30.2 | Very low | 31.6 | Very low | 185 Ų | 185 | 143 Ų | 143 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -59.8 | 85.4 | 156.7 | -76.9 | -177 | 176.9 | 179 | 0 | 106.6 | N363 V367 | N363-K365 VanDerWaalsContact C-N 3.31Å; N363-K365 PolarHBondContact O-N 3.24Å; N363-K365 VanDerWaalsContact O-N 3.11Å; K365-V367 VanDerWaalsContact C-N 3.28Å; K365-V367 PolarHBondContact O-N 3.1Å | ||
| 366 | V | 32.3 | Very low | 32.1 | Very low | 94 Ų | 94 | 144 Ų | 144 | 57% | 0.57 | 76% | 0.764 | S | S | * | * | trans | -63.5 | 102.9 | 153.9 | -179.4 | 0 | 0 | 0 | 0 | 103.8 | V364 D368 | V364-V366 HydrophobicContact CG1-CG2 3.88Å; V364-V366 PolarHBondContact O-N 2.94Å; V366-D368 HydrophobicContact CG1-CB 4.31Å; V366-D368 PolarHBondContact O-N 3.48Å | ||
| 367 | V | 33.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | trans | -69.2 | 78.8 | 161.7 | 178.1 | 0 | 0 | 0 | 0 | 105.2 | K365 K369 | K365-V367 VanDerWaalsContact C-N 3.28Å; K365-V367 PolarHBondContact O-N 3.1Å; V367-K369 HydrophobicContact CG1-CG 4.1Å; V367-K369 PolarHBondContact O-N 2.84Å | ||
| 368 | D | 30 | Very low | 32.7 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 81.8 | 157.9 | -89.1 | -24.6 | 0 | 0 | 0 | 106 | V366 Q370 | V366-D368 HydrophobicContact CG1-CB 4.31Å; V366-D368 PolarHBondContact O-N 3.48Å; D368-Q370 VanDerWaalsContact C-N 3.27Å; D368-Q370 PolarHBondContact O-N 3.31Å | ||
| 369 | K | 36 | Very low | 32.8 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | -64.4 | 101.9 | 153.9 | -96 | -176.2 | 176.5 | -179.1 | 0 | 106.1 | V367 V371 | V367-K369 HydrophobicContact CG1-CG 4.1Å; V367-K369 PolarHBondContact O-N 2.84Å; K369-V371 PolarHBondContact O-N 3.49Å | ||
| 370 | Q | 29.7 | Very low | 33 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -27.6 | 108.9 | 155.5 | -80.6 | 174.5 | -42 | 0 | 0 | 111.3 | D368 | D368-Q370 VanDerWaalsContact C-N 3.27Å; D368-Q370 PolarHBondContact O-N 3.31Å | ||
| 371 | V | 31.5 | Very low | 33.1 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -118.3 | 69.2 | 146.5 | -172.6 | 0 | 0 | 0 | 0 | 106 | K369 | K369-V371 PolarHBondContact O-N 3.49Š| ||
| 372 | S | 36.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -80.8 | 114.6 | 156.7 | -81.7 | 0 | 0 | 0 | 0 | 107.6 | T374 | S372-T374 PolarHBondContact O-N 3.4Š| ||
| 373 | R | 31.2 | Very low | 33.7 | Very low | 239 Ų | 239 | 153.3 Ų | 153.3 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -30.1 | 121.5 | 166.5 | -66.9 | 165.7 | 168.3 | 166.1 | -4.8 | 112.4 | ||||
| 374 | T | 36.2 | Very low | 34 | Very low | 128 Ų | 128 | 154 Ų | 154 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -119.7 | 107.5 | 147.6 | -51.5 | 0 | 0 | 0 | 0 | 106.8 | S372 I376 | S372-T374 PolarHBondContact O-N 3.4Å; T374-I376 HydrophobicContact CG2-CD1 4.31Å; T374-I376 HydrophobicContact CG2-CG1 4.13Å | ||
| 375 | L | 30.9 | Very low | 34.3 | Very low | 164 Ų | 164 | 157 Ų | 157 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -109 | 99.8 | 166.5 | -152 | 160.3 | 0 | 0 | 0 | 103.4 | ||||
| 376 | I | 46.9 | Very low | 34.7 | Very low | 138 Ų | 138 | 154.7 Ų | 154.7 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | trans | -141.4 | 113.2 | 166.9 | -60.6 | -178.1 | 0 | 0 | 0 | 106.8 | T374 | T374-I376 HydrophobicContact CG2-CD1 4.31Å; T374-I376 HydrophobicContact CG2-CG1 4.13Å | ||
| 377 | L | 41.1 | Very low | 34.9 | Very low | 236 Ų | 236 | 160.2 Ų | 160.2 | 100% | 1.236 | 83% | 0.83 | S | S | * | * | trans | 70.3 | 0 | 168.9 | -64.5 | 166.2 | 0 | 0 | 0 | 118.4 |
Retrieved 377 of 377 residues in 325.6 ms
(Link to these results)