| 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 | 41.8 | Very low | 43 | Very low | 229 Ų | 229 | 158.6 Ų | 158.6 | 100% | 1.128 | 86% | 0.86 | S | S | * | * | 0 | 101.4 | 0 | -84.8 | 179.8 | 176.8 | 0 | 0 | 106.7 | |||||
| 2 | E | 31.8 | Very low | 45.1 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -103.6 | 128.4 | 173.8 | -69.9 | -179.5 | 162.4 | 0 | 0 | 107.4 | ||||
| 3 | F | 38.4 | Very low | 47.4 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -123 | 126.3 | 168.1 | -80.9 | -81.2 | 0 | 0 | 0 | 108.1 | ||||
| 4 | P | 40.7 | Very low | 48.5 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -85.2 | 126.3 | 171.1 | 32.9 | -27.1 | 0 | 0 | 0 | 108.5 | ||||
| 5 | V | 46.5 | Very low | 50.3 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -97.1 | 110.5 | 165.2 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | L7 | V5-L7 HydrophobicContact CG1-CG 4.24Š| ||
| 6 | A | 37.7 | Very low | 51.7 | Low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -75 | 121.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | L | 48.8 | Very low | 52.5 | Low | 157 Ų | 157 | 135.4 Ų | 135.4 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -104.4 | 113.7 | 166 | -78.7 | 170.1 | 0 | 0 | 0 | 109 | V5 | V5-L7 HydrophobicContact CG1-CG 4.24Š| ||
| 8 | N | 49.9 | Very low | 53.4 | Low | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -56.9 | 140.5 | 174.7 | -81 | -31.9 | 0 | 0 | 0 | 112 | K10 | N8-K10 PolarHBondContact O-N 2.77Š| ||
| 9 | G | 39.3 | Very low | 54.6 | Low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -52.6 | 121 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 10 | K | 53.1 | Low | 55.9 | Low | 200 Ų | 200 | 134.8 Ų | 134.8 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | trans | -141 | 125.8 | 136.5 | -79.5 | -170.7 | 175.7 | 178.5 | 0 | 106.7 | N8 G12 | N8-K10 PolarHBondContact O-N 2.77Å; K10-G12 PolarHBondContact O-N 3.48Å | ||
| 11 | E | 44.6 | Very low | 56.7 | Low | 205 Ų | 205 | 131.2 Ų | 131.2 | 96% | 0.958 | 70% | 0.7 | S | S | * | * | trans | -65.2 | 96 | 172.7 | -72.9 | 179.8 | 157 | 0 | 0 | 108.6 | ||||
| 12 | G | 68.3 | Low | 58.4 | Low | 35 Ų | 35 | 128.7 Ų | 128.7 | 36% | 0.361 | 68% | 0.678 | S | S | . | * | trans | -82.6 | 140.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K10 E16 | K10-G12 PolarHBondContact O-N 3.48Å; G12-E16 WeakPolarHBondContact CA-OE2 3.41Å | ||
| 13 | S | 75.4 | Confident | 60.7 | Low | 55 Ų | 55 | 121.8 Ų | 121.8 | 39% | 0.385 | 65% | 0.65 | S | S | . | * | trans | -62.6 | 154.8 | 175.4 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | S15 E16 W17 | S13-S15 WeakPolarHBondContact CB-OG 3.46Å; S13-S15 PolarHBondContact O-N 3.21Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S13-S15 PolarHBondContact OG-OG 3.33Å; S13-E16 PolarHBondContact N-OE2 3.04Å; S13-E16 PolarHBondContact O-N 3.05Å; S13-E16 PolarHBondContact OG-N 3.45Å; S13-E16 PolarHBondContact OG-OE2 3.06Å; S13-W17 PolarHBondContact O-N 3.4Å | ||
| 14 | V | 62.8 | Low | 62.8 | Low | 113 Ų | 113 | 116.2 Ų | 116.2 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -52.8 | -32.9 | 174.8 | 176 | 0 | 0 | 0 | 0 | 111.5 | W17 E18 | V14-W17 PolarHBondContact O-N 2.95Å; V14-E18 PolarHBondContact O-N 3.48Å |
| 15 | S | 74.8 | Confident | 64.3 | Low | 78 Ų | 78 | 113.2 Ų | 113.2 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.3 | -36 | 174.3 | 34 | 0 | 0 | 0 | 0 | 114.5 | S13 H19 | S13-S15 WeakPolarHBondContact CB-OG 3.46Å; S13-S15 PolarHBondContact O-N 3.21Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S13-S15 PolarHBondContact OG-OG 3.33Å; S15-H19 WeakPolarHBondContact O-CB 3.22Å; S15-H19 PolarHBondContact O-N 3.5Å |
| 16 | E | 72.8 | Confident | 65.7 | Low | 117 Ų | 117 | 115.7 Ų | 115.7 | 55% | 0.547 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.3 | -38.3 | 177.5 | -75.3 | 170.4 | 140.3 | 0 | 0 | 111.2 | G12 S13 H19 W20 | G12-E16 WeakPolarHBondContact CA-OE2 3.41Å; S13-E16 PolarHBondContact N-OE2 3.04Å; S13-E16 PolarHBondContact O-N 3.05Å; S13-E16 PolarHBondContact OG-N 3.45Å; S13-E16 PolarHBondContact OG-OE2 3.06Å; E16-H19 PolarHBondContact O-N 2.97Å; E16-W20 WeakPolarHBondContact O-CB 3.5Å; E16-W20 PolarHBondContact O-N 3.22Å |
| 17 | W | 66.6 | Low | 67.7 | Low | 158 Ų | 158 | 115.6 Ų | 115.6 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.7 | -46.5 | 172.7 | -100.5 | 89.6 | 0 | 0 | 0 | 112 | S13 V14 H19 W20 C21 | S13-W17 PolarHBondContact O-N 3.4Å; V14-W17 PolarHBondContact O-N 2.95Å; W17-H19 VanDerWaalsContact C-N 3.34Å; W17-H19 PolarHBondContact O-N 3.32Å; W17-W20 PolarHBondContact O-N 3.43Å; W17-C21 PolarHBondContact O-N 3.14Å; W17-C21 PolarHBondContact O-SG 3.44Å |
| 18 | E | 68.9 | Low | 69.1 | Low | 106 Ų | 106 | 115.7 Ų | 115.7 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.3 | -40.8 | 175.7 | -76.7 | -168.9 | 179.6 | 0 | 0 | 112.3 | V14 R22 | V14-E18 PolarHBondContact O-N 3.48Å; E18-R22 WeakPolarHBondContact O-CB 3.46Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.31Å; E18-R22 PolarHBondContact O-N 3.32Å; E18-R22 IonicContact OE2-NH2 2.6Å |
| 19 | H | 75.5 | Confident | 69.9 | Low | 139 Ų | 139 | 112.9 Ų | 112.9 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -42.8 | 177.1 | -173.4 | -83.4 | 0 | 0 | 0 | 111.6 | S15 E16 W17 R22 S23 | S15-H19 WeakPolarHBondContact O-CB 3.22Å; S15-H19 PolarHBondContact O-N 3.5Å; E16-H19 PolarHBondContact O-N 2.97Å; W17-H19 VanDerWaalsContact C-N 3.34Å; W17-H19 PolarHBondContact O-N 3.32Å; H19-R22 PolarHBondContact O-N 2.93Å; H19-S23 PolarHBondContact O-N 3.07Å |
| 20 | W | 81.3 | Confident | 71.5 | Confident | 149 Ų | 149 | 117.4 Ų | 117.4 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -47.6 | 177.8 | -173.2 | 81.9 | 0 | 0 | 0 | 112 | E16 W17 R22 S23 E24 | E16-W20 WeakPolarHBondContact O-CB 3.5Å; E16-W20 PolarHBondContact O-N 3.22Å; W17-W20 PolarHBondContact O-N 3.43Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.47Å; W20-S23 PolarHBondContact O-N 3.18Å; W20-S23 VanDerWaalsContact O-N 3.11Å; W20-E24 WeakPolarHBondContact CH2-OE2 3.42Å; W20-E24 WeakPolarHBondContact CZ2-OE2 3.38Å; W20-E24 WeakPolarHBondContact CZ3-OE2 3.37Å; W20-E24 PolarHBondContact O-N 3.23Å |
| 21 | C | 72.5 | Confident | 72.5 | Confident | 61 Ų | 61 | 111.3 Ų | 111.3 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.1 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | W17 A25 | W17-C21 PolarHBondContact O-N 3.14Å; W17-C21 PolarHBondContact O-SG 3.44Å; C21-A25 VanDerWaalsContact O-CB 3.31Å; C21-A25 WeakPolarHBondContact O-CB 3.35Å; C21-A25 PolarHBondContact O-N 3.43Å |
| 22 | R | 77.8 | Confident | 73.9 | Confident | 176 Ų | 176 | 107.9 Ų | 107.9 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -38 | 174.7 | -74 | 176.6 | -166.4 | -128.4 | 8.5 | 112.1 | E18 H19 W20 R26 | E18-R22 WeakPolarHBondContact O-CB 3.46Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.31Å; E18-R22 PolarHBondContact O-N 3.32Å; E18-R22 IonicContact OE2-NH2 2.6Å; H19-R22 PolarHBondContact O-N 2.93Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.47Å; R22-R26 VanDerWaalsContact O-CB 3.3Å; R22-R26 WeakPolarHBondContact O-CB 3.26Å; R22-R26 PolarHBondContact O-N 3.23Å; R22-R26 VanDerWaalsContact O-N 3.09Å |
| 23 | S | 78.4 | Confident | 73.9 | Confident | 46 Ų | 46 | 110.6 Ų | 110.6 | 32% | 0.322 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.1 | -47.4 | 177.1 | -163.5 | 0 | 0 | 0 | 0 | 111.4 | H19 W20 A25 R26 D27 | H19-S23 PolarHBondContact O-N 3.07Å; W20-S23 PolarHBondContact O-N 3.18Å; W20-S23 VanDerWaalsContact O-N 3.11Å; S23-A25 PolarHBondContact O-N 3.2Å; S23-R26 WeakPolarHBondContact O-CB 3.38Å; S23-R26 PolarHBondContact O-N 3.27Å; S23-D27 PolarHBondContact O-N 3.26Å |
| 24 | E | 82.3 | Confident | 73.8 | Confident | 66 Ų | 66 | 112.6 Ų | 112.6 | 31% | 0.308 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | -178.7 | -164.5 | -176.4 | 166.5 | 0 | 0 | 112 | W20 R26 D27 R28 | W20-E24 WeakPolarHBondContact CH2-OE2 3.42Å; W20-E24 WeakPolarHBondContact CZ2-OE2 3.38Å; W20-E24 WeakPolarHBondContact CZ3-OE2 3.37Å; W20-E24 PolarHBondContact O-N 3.23Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; E24-D27 PolarHBondContact O-N 3.24Å; E24-R28 WeakPolarHBondContact O-CG 3.36Å; E24-R28 PolarHBondContact O-N 3.05Å; E24-R28 IonicContact OE1-CZ 3.97Å; E24-R28 IonicContact OE1-NE 2.73Å; E24-R28 PolarHBondContact OE1-NE 3.47Å; E24-R28 IonicContact OE1-NH2 3.03Å; E24-R28 PolarHBondContact OE1-NH2 3.49Å |
| 25 | A | 73.5 | Confident | 74.3 | Confident | 62 Ų | 62 | 111.8 Ų | 111.8 | 51% | 0.512 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C21 S23 L29 | C21-A25 VanDerWaalsContact O-CB 3.31Å; C21-A25 WeakPolarHBondContact O-CB 3.35Å; C21-A25 PolarHBondContact O-N 3.43Å; S23-A25 PolarHBondContact O-N 3.2Å; A25-L29 WeakPolarHBondContact O-CB 3.33Å; A25-L29 PolarHBondContact O-N 2.9Å |
| 26 | R | 76.5 | Confident | 73.8 | Confident | 179 Ų | 179 | 111.1 Ų | 111.1 | 68% | 0.675 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 175.3 | -177.2 | -174.3 | -74 | 168.4 | -4.4 | 111.4 | R22 S23 E24 L29 R30 | R22-R26 VanDerWaalsContact O-CB 3.3Å; R22-R26 WeakPolarHBondContact O-CB 3.26Å; R22-R26 PolarHBondContact O-N 3.23Å; R22-R26 VanDerWaalsContact O-N 3.09Å; S23-R26 WeakPolarHBondContact O-CB 3.38Å; S23-R26 PolarHBondContact O-N 3.27Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.36Å; R26-L29 PolarHBondContact O-N 3.39Å; R26-R30 WeakPolarHBondContact O-CB 3.48Å; R26-R30 PolarHBondContact O-N 3.48Å |
| 27 | D | 79.7 | Confident | 73.1 | Confident | 88 Ų | 88 | 110.9 Ų | 110.9 | 47% | 0.471 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.1 | -37.5 | -179.3 | -69.4 | -28.8 | 0 | 0 | 0 | 112.3 | S23 E24 R30 S31 | S23-D27 PolarHBondContact O-N 3.26Å; E24-D27 PolarHBondContact O-N 3.24Å; D27-R30 PolarHBondContact O-N 3.49Å; D27-S31 WeakPolarHBondContact O-CB 3.31Å; D27-S31 PolarHBondContact O-N 3.3Å |
| 28 | R | 76.9 | Confident | 72.5 | Confident | 158 Ų | 158 | 105.8 Ų | 105.8 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 171.5 | -74.2 | -175.1 | -171.2 | -164.6 | 5.3 | 112 | E24 R30 S31 E32 | E24-R28 WeakPolarHBondContact O-CG 3.36Å; E24-R28 PolarHBondContact O-N 3.05Å; E24-R28 IonicContact OE1-CZ 3.97Å; E24-R28 IonicContact OE1-NE 2.73Å; E24-R28 PolarHBondContact OE1-NE 3.47Å; E24-R28 IonicContact OE1-NH2 3.03Å; E24-R28 PolarHBondContact OE1-NH2 3.49Å; R28-R30 VanDerWaalsContact C-N 3.32Å; R28-R30 PolarHBondContact O-N 2.89Å; R28-S31 WeakPolarHBondContact O-CB 3.44Å; R28-S31 PolarHBondContact O-N 2.89Å; R28-E32 PolarHBondContact O-N 3.43Å |
| 29 | L | 67.1 | Low | 72.1 | Confident | 101 Ų | 101 | 107.1 Ų | 107.1 | 53% | 0.529 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -40.7 | 177.2 | -170.7 | 73.5 | 0 | 0 | 0 | 111.3 | A25 R26 E32 I33 | A25-L29 WeakPolarHBondContact O-CB 3.33Å; A25-L29 PolarHBondContact O-N 2.9Å; R26-L29 PolarHBondContact O-N 3.39Å; L29-E32 PolarHBondContact O-N 3.17Å; L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.98Å |
| 30 | R | 73.7 | Confident | 70.7 | Confident | 173 Ų | 173 | 111.6 Ų | 111.6 | 65% | 0.653 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.2 | -45.9 | 175.5 | -167.8 | 177.6 | -171.2 | 177.6 | 2 | 111 | R26 D27 R28 I33 T34 | R26-R30 WeakPolarHBondContact O-CB 3.48Å; R26-R30 PolarHBondContact O-N 3.48Å; D27-R30 PolarHBondContact O-N 3.49Å; R28-R30 VanDerWaalsContact C-N 3.32Å; R28-R30 PolarHBondContact O-N 2.89Å; R30-I33 PolarHBondContact O-N 3.44Å; R30-T34 PolarHBondContact O-N 2.98Å; R30-T34 PolarHBondContact O-OG1 3.34Å |
| 31 | S | 72.5 | Confident | 69.3 | Low | 72 Ų | 72 | 110.4 Ų | 110.4 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.7 | -46.1 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | D27 R28 T34 S35 | D27-S31 WeakPolarHBondContact O-CB 3.31Å; D27-S31 PolarHBondContact O-N 3.3Å; R28-S31 WeakPolarHBondContact O-CB 3.44Å; R28-S31 PolarHBondContact O-N 2.89Å; S31-T34 WeakPolarHBondContact CA-OG1 3.45Å; S31-T34 PolarHBondContact O-N 3.46Å; S31-T34 PolarHBondContact O-OG1 2.91Å; S31-T34 VanDerWaalsContact O-OG1 3.07Å; S31-S35 VanDerWaalsContact O-CB 3.31Å; S31-S35 WeakPolarHBondContact O-CB 3.28Å; S31-S35 PolarHBondContact O-N 3.46Å; S31-S35 PolarHBondContact O-OG 2.94Å |
| 32 | E | 75.2 | Confident | 67.8 | Low | 134 Ų | 134 | 110.9 Ų | 110.9 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.5 | -41.1 | 177.1 | -74.7 | -178.7 | 179.1 | 0 | 0 | 112.3 | R28 L29 S35 G36 | R28-E32 PolarHBondContact O-N 3.43Å; L29-E32 PolarHBondContact O-N 3.17Å; E32-S35 WeakPolarHBondContact CA-OG 3.28Å; E32-S35 PolarHBondContact O-OG 3.38Å; E32-G36 PolarHBondContact O-N 2.93Å; E32-G36 VanDerWaalsContact O-N 3.16Å |
| 33 | I | 67.7 | Low | 66 | Low | 91 Ų | 91 | 111 Ų | 111 | 47% | 0.467 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.8 | -44.8 | 175.8 | -68 | 167.5 | 0 | 0 | 0 | 110.7 | L29 R30 I37 | L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.98Å; R30-I33 PolarHBondContact O-N 3.44Å; I33-I37 HydrophobicContact CG2-CD1 3.96Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å |
| 34 | T | 72.5 | Confident | 64.2 | Low | 98 Ų | 98 | 117 Ų | 117 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.2 | -27.3 | -179 | 44.9 | 0 | 0 | 0 | 0 | 113.5 | R30 S31 | R30-T34 PolarHBondContact O-N 2.98Å; R30-T34 PolarHBondContact O-OG1 3.34Å; S31-T34 WeakPolarHBondContact CA-OG1 3.45Å; S31-T34 PolarHBondContact O-N 3.46Å; S31-T34 PolarHBondContact O-OG1 2.91Å; S31-T34 VanDerWaalsContact O-OG1 3.07Å |
| 35 | S | 73.6 | Confident | 62.2 | Low | 95 Ų | 95 | 121.4 Ų | 121.4 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.4 | -24.2 | 178.2 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | S31 E32 | S31-S35 VanDerWaalsContact O-CB 3.31Å; S31-S35 WeakPolarHBondContact O-CB 3.28Å; S31-S35 PolarHBondContact O-N 3.46Å; S31-S35 PolarHBondContact O-OG 2.94Å; E32-S35 WeakPolarHBondContact CA-OG 3.28Å; E32-S35 PolarHBondContact O-OG 3.38Å |
| 36 | G | 65.1 | Low | 61.1 | Low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -85.5 | -10.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E32 | E32-G36 PolarHBondContact O-N 2.93Å; E32-G36 VanDerWaalsContact O-N 3.16Å |
| 37 | I | 57.1 | Low | 59.4 | Low | 112 Ų | 112 | 122.6 Ų | 122.6 | 57% | 0.574 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -113.8 | 99.7 | -175.5 | -56.9 | 172.1 | 0 | 0 | 0 | 108.6 | I33 | I33-I37 HydrophobicContact CG2-CD1 3.96Å; I33-I37 WeakPolarHBondContact O-CG1 3.4Å |
| 38 | G | 55.2 | Low | 58.1 | Low | 50 Ų | 50 | 129.2 Ų | 129.2 | 52% | 0.515 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -60 | 155.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W40 | G38-W40 PolarHBondContact O-N 3.47Š|
| 39 | P | 60.6 | Low | 56.8 | Low | 135 Ų | 135 | 130.4 Ų | 130.4 | 88% | 0.877 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.1 | -171.2 | 25.3 | -32.8 | 0 | 0 | 0 | 111.3 | ||
| 40 | W | 46.6 | Very low | 55.9 | Low | 233 Ų | 233 | 129.5 Ų | 129.5 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 132.2 | 163.8 | -89.5 | 53.6 | 0 | 0 | 0 | 109.1 | G38 | G38-W40 PolarHBondContact O-N 3.47Š|
| 41 | P | 51.9 | Low | 54.9 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 142.9 | 175.5 | 28.3 | -30.9 | 0 | 0 | 0 | 110.1 | ||
| 42 | G | 40.3 | Very low | 54.1 | Low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -75.8 | -171.9 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 43 | E | 39.6 | Very low | 53.4 | Low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | 94.4 | 110.9 | 165.3 | -64 | -171.7 | 167.1 | 0 | 0 | 118.9 | ||||
| 44 | H | 40.2 | Very low | 53 | Low | 172 Ų | 172 | 128.4 Ų | 128.4 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | 61.6 | 82.5 | 145.1 | -72.2 | -68.5 | 0 | 0 | 0 | 119.9 | ||||
| 45 | L | 40.4 | Very low | 52.6 | Low | 159 Ų | 159 | 126.1 Ų | 126.1 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | -141 | 112.7 | 148.8 | -80.4 | 175.7 | 0 | 0 | 0 | 112.8 | G47 | L45-G47 PolarHBondContact O-N 3.42Š| ||
| 46 | Q | 51.2 | Low | 52.4 | Low | 191 Ų | 191 | 125.3 Ų | 125.3 | 89% | 0.893 | 69% | 0.694 | S | S | * | * | trans | -64 | 120.5 | 175.4 | -77.2 | 168.6 | -29.2 | 0 | 0 | 112.8 | R48 | Q46-R48 VanDerWaalsContact C-N 3.31Å; Q46-R48 PolarHBondContact O-N 3.05Å | ||
| 47 | G | 41 | Very low | 52.4 | Low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.2 | -24.2 | 131.1 | 0 | 0 | 0 | 0 | 0 | 124 | L45 | L45-G47 PolarHBondContact O-N 3.42Š|
| 48 | R | 50.9 | Low | 52.7 | Low | 226 Ų | 226 | 120.1 Ų | 120.1 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -16.2 | -172.6 | -95.6 | -173.8 | -178.2 | -175.4 | 1 | 116.5 | Q46 | Q46-R48 VanDerWaalsContact C-N 3.31Å; Q46-R48 PolarHBondContact O-N 3.05Å |
| 49 | R | 51 | Low | 53.5 | Low | 184 Ų | 184 | 125.8 Ų | 125.8 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -97.6 | -3.9 | -179.8 | -68.4 | -168.9 | -165.5 | -175.9 | 4.9 | 115.2 | S53 | R49-S53 PolarHBondContact O-N 3.47Å; R49-S53 PolarHBondContact O-OG 3.35Å |
| 50 | V | 47.3 | Very low | 54.2 | Low | 81 Ų | 81 | 122.8 Ų | 122.8 | 49% | 0.491 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.4 | -41.5 | -176 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | E52 S53 F54 | V50-E52 PolarHBondContact O-N 3.46Å; V50-S53 PolarHBondContact O-N 3.34Å; V50-F54 HydrophobicContact CG1-CD2 3.54Å; V50-F54 HydrophobicContact CG1-CE2 3.57Å; V50-F54 WeakPolarHBondContact O-CB 3.47Å; V50-F54 WeakPolarHBondContact O-CD2 3.32Å; V50-F54 PolarHBondContact O-N 2.98Å |
| 51 | T | 52.2 | Low | 55.3 | Low | 111 Ų | 111 | 114 Ų | 114 | 68% | 0.681 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.6 | -35.6 | 179.9 | 41.5 | 0 | 0 | 0 | 0 | 113.9 | A55 | T51-A55 WeakPolarHBondContact O-CB 3.27Å; T51-A55 PolarHBondContact O-N 2.96Å |
| 52 | E | 57.4 | Low | 56.3 | Low | 141 Ų | 141 | 113.7 Ų | 113.7 | 66% | 0.659 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.9 | -41 | 178.5 | -70.4 | 177.1 | 168.8 | 0 | 0 | 111.9 | V50 F54 A55 S56 | V50-E52 PolarHBondContact O-N 3.46Å; E52-F54 VanDerWaalsContact C-N 3.35Å; E52-F54 PolarHBondContact O-N 3.47Å; E52-A55 PolarHBondContact O-N 3.29Å; E52-S56 WeakPolarHBondContact O-CB 3.17Å; E52-S56 PolarHBondContact O-N 2.96Å |
| 53 | S | 59.4 | Low | 57.9 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 56% | 0.559 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.7 | -36.7 | 175.4 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | R49 V50 A57 | R49-S53 PolarHBondContact O-N 3.47Å; R49-S53 PolarHBondContact O-OG 3.35Å; V50-S53 PolarHBondContact O-N 3.34Å; S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.4Å |
| 54 | F | 59.1 | Low | 59.9 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.2 | -38.9 | 175.5 | -89.3 | -73.4 | 0 | 0 | 0 | 112.7 | V50 E52 S56 A57 A58 I71 | V50-F54 HydrophobicContact CG1-CD2 3.54Å; V50-F54 HydrophobicContact CG1-CE2 3.57Å; V50-F54 WeakPolarHBondContact O-CB 3.47Å; V50-F54 WeakPolarHBondContact O-CD2 3.32Å; V50-F54 PolarHBondContact O-N 2.98Å; E52-F54 VanDerWaalsContact C-N 3.35Å; E52-F54 PolarHBondContact O-N 3.47Å; F54-S56 VanDerWaalsContact C-N 3.35Å; F54-A57 PolarHBondContact O-N 2.92Å; F54-A58 WeakPolarHBondContact O-CB 3.35Å; F54-A58 PolarHBondContact O-N 3.41Å; F54-I71 HydrophobicContact CD1-CD1 4.38Å |
| 55 | A | 64.5 | Low | 61.3 | Low | 49 Ų | 49 | 103 Ų | 103 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.6 | -44.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | T51 E52 A57 A58 H59 | T51-A55 WeakPolarHBondContact O-CB 3.27Å; T51-A55 PolarHBondContact O-N 2.96Å; E52-A55 PolarHBondContact O-N 3.29Å; A55-A57 PolarHBondContact O-N 3.07Å; A55-A58 PolarHBondContact O-N 3.48Å; A55-H59 PolarHBondContact O-CD2 3Å; A55-H59 PolarHBondContact O-N 3.48Å; A55-H59 VanDerWaalsContact O-N 3.14Å |
| 56 | S | 68.6 | Low | 62.6 | Low | 79 Ų | 79 | 105.4 Ų | 105.4 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.6 | -39 | 175.8 | -170.7 | 0 | 0 | 0 | 0 | 112.8 | E52 F54 H59 S60 | E52-S56 WeakPolarHBondContact O-CB 3.17Å; E52-S56 PolarHBondContact O-N 2.96Å; F54-S56 VanDerWaalsContact C-N 3.35Å; S56-H59 PolarHBondContact O-N 3.47Å; S56-S60 WeakPolarHBondContact O-CB 3.39Å; S56-S60 PolarHBondContact O-N 3.46Å; S56-S60 VanDerWaalsContact O-N 3.07Å; S56-S60 PolarHBondContact O-OG 3.35Å |
| 57 | A | 65.8 | Low | 63.7 | Low | 30 Ų | 30 | 100.2 Ų | 100.2 | 25% | 0.248 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -72.6 | -30.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S53 F54 A55 H59 S60 L63 | S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.4Å; F54-A57 PolarHBondContact O-N 2.92Å; A55-A57 PolarHBondContact O-N 3.07Å; A57-H59 VanDerWaalsContact C-N 3.34Å; A57-S60 PolarHBondContact O-OG 2.88Å; A57-L63 HydrophobicContact CB-CD1 4.45Å |
| 58 | A | 63.5 | Low | 64.9 | Low | 37 Ų | 37 | 101.9 Ų | 101.9 | 31% | 0.306 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | F54 A55 L63 | F54-A58 WeakPolarHBondContact O-CB 3.35Å; F54-A58 PolarHBondContact O-N 3.41Å; A55-A58 PolarHBondContact O-N 3.48Å; A58-L63 HydrophobicContact CB-CD1 4.48Å |
| 59 | H | 71.1 | Confident | 66 | Low | 169 Ų | 169 | 96.1 Ų | 96.1 | 78% | 0.782 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.3 | -27.2 | 176.4 | -72.9 | -60.3 | 0 | 0 | 0 | 114.1 | A55 S56 A57 G61 | A55-H59 PolarHBondContact O-CD2 3Å; A55-H59 PolarHBondContact O-N 3.48Å; A55-H59 VanDerWaalsContact O-N 3.14Å; S56-H59 PolarHBondContact O-N 3.47Å; A57-H59 VanDerWaalsContact C-N 3.34Å; H59-G61 PolarHBondContact O-N 3.15Å |
| 60 | S | 75.3 | Confident | 67 | Low | 72 Ų | 72 | 91 Ų | 91 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 2.6 | -174.9 | 66.8 | 0 | 0 | 0 | 0 | 115.5 | S56 A57 V62 | S56-S60 WeakPolarHBondContact O-CB 3.39Å; S56-S60 PolarHBondContact O-N 3.46Å; S56-S60 VanDerWaalsContact O-N 3.07Å; S56-S60 PolarHBondContact O-OG 3.35Å; A57-S60 PolarHBondContact O-OG 2.88Å; S60-V62 PolarHBondContact O-N 3.16Å; S60-V62 WeakPolarHBondContact OG-CG2 3.42Å |
| 61 | G | 70 | Confident | 68.2 | Low | 48 Ų | 48 | 89.5 Ų | 89.5 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | S | Bend | trans | 79.9 | -7.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H59 L63 R68 | H59-G61 PolarHBondContact O-N 3.15Å; G61-L63 VanDerWaalsContact C-N 3.34Å; G61-L63 PolarHBondContact O-N 3.21Å; G61-R68 VanDerWaalsContact CA-NH2 3.34Å; G61-R68 PolarHBondContact O-NH2 3.16Å |
| 62 | V | 72.7 | Confident | 68.9 | Low | 117 Ų | 117 | 86.9 Ų | 86.9 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | trans | -72.4 | -22.6 | -169.6 | 178.7 | 0 | 0 | 0 | 0 | 113.4 | S60 | S60-V62 PolarHBondContact O-N 3.16Å; S60-V62 WeakPolarHBondContact OG-CG2 3.42Å | ||
| 63 | L | 75.1 | Confident | 69.7 | Low | 29 Ų | 29 | 85 Ų | 85 | 15% | 0.152 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -90.1 | 132.5 | -177.3 | -54.5 | 175.6 | 0 | 0 | 0 | 111.7 | A57 A58 G61 L67 R68 I71 | A57-L63 HydrophobicContact CB-CD1 4.45Å; A58-L63 HydrophobicContact CB-CD1 4.48Å; G61-L63 VanDerWaalsContact C-N 3.34Å; G61-L63 PolarHBondContact O-N 3.21Å; L63-L67 HydrophobicContact CB-CD2 4.35Å; L63-L67 HydrophobicContact CD2-CD2 3.58Å; L63-L67 HydrophobicContact CG-CD2 4.42Å; L63-R68 HydrophobicContact CB-CG 3.97Å; L63-R68 PolarHBondContact O-NE 3.06Å; L63-R68 PolarHBondContact O-NH2 3.29Å; L63-I71 HydrophobicContact CD1-CD1 3.79Å |
| 64 | S | 80.7 | Confident | 70.4 | Confident | 75 Ų | 75 | 85.1 Ų | 85.1 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | trans | -59.8 | 151.5 | 172.6 | 82.1 | 0 | 0 | 0 | 0 | 111.2 | R66 L67 R68 | S64-R66 PolarHBondContact O-N 3.26Å; S64-R66 VanDerWaalsContact O-N 3.15Å; S64-L67 PolarHBondContact O-N 2.73Å; S64-L67 PolarHBondContact OG-N 3.04Å; S64-R68 PolarHBondContact O-N 2.85Å; S64-R68 VanDerWaalsContact O-N 3.07Å | ||
| 65 | S | 70.1 | Confident | 71.2 | Confident | 93 Ų | 93 | 83.2 Ų | 83.2 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.6 | -35 | -178.6 | -46.2 | 0 | 0 | 0 | 0 | 112.8 | R68 I69 | S65-R68 PolarHBondContact O-N 2.98Å; S65-I69 VanDerWaalsContact O-CG1 3.32Å; S65-I69 WeakPolarHBondContact O-CG1 3.31Å; S65-I69 PolarHBondContact O-N 3.09Å; S65-I69 VanDerWaalsContact O-N 3.16Å |
| 66 | R | 68.5 | Low | 71.6 | Confident | 211 Ų | 211 | 87.2 Ų | 87.2 | 80% | 0.796 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -46.5 | 175.3 | -80.7 | -176.2 | 167 | -177.1 | -4.4 | 111.6 | S64 R68 I69 T70 | S64-R66 PolarHBondContact O-N 3.26Å; S64-R66 VanDerWaalsContact O-N 3.15Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R66-R68 PolarHBondContact O-N 2.99Å; R66-I69 PolarHBondContact O-N 3.04Å; R66-T70 PolarHBondContact O-N 3.33Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.09Å |
| 67 | L | 73.7 | Confident | 72 | Confident | 81 Ų | 81 | 88.7 Ų | 88.7 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -34.7 | -178.7 | -167.6 | 62.7 | 0 | 0 | 0 | 112 | L63 S64 T70 I71 | L63-L67 HydrophobicContact CB-CD2 4.35Å; L63-L67 HydrophobicContact CD2-CD2 3.58Å; L63-L67 HydrophobicContact CG-CD2 4.42Å; S64-L67 PolarHBondContact O-N 2.73Å; S64-L67 PolarHBondContact OG-N 3.04Å; L67-T70 PolarHBondContact O-N 2.9Å; L67-I71 HydrophobicContact CG-CD1 4.22Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 2.84Å |
| 68 | R | 66.9 | Low | 72.4 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.3 | -64.9 | -175.6 | -162.6 | -168.9 | 5.4 | 112.4 | G61 L63 S64 S65 R66 I71 A72 | G61-R68 VanDerWaalsContact CA-NH2 3.34Å; G61-R68 PolarHBondContact O-NH2 3.16Å; L63-R68 HydrophobicContact CB-CG 3.97Å; L63-R68 PolarHBondContact O-NE 3.06Å; L63-R68 PolarHBondContact O-NH2 3.29Å; S64-R68 PolarHBondContact O-N 2.85Å; S64-R68 VanDerWaalsContact O-N 3.07Å; S65-R68 PolarHBondContact O-N 2.98Å; R66-R68 VanDerWaalsContact C-N 3.34Å; R66-R68 PolarHBondContact O-N 2.99Å; R68-I71 PolarHBondContact O-N 3.4Å; R68-A72 WeakPolarHBondContact O-CB 3.32Å; R68-A72 PolarHBondContact O-N 3.4Å |
| 69 | I | 73.9 | Confident | 72.9 | Confident | 105 Ų | 105 | 95.2 Ų | 95.2 | 54% | 0.538 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.2 | -66.8 | 165.6 | 0 | 0 | 0 | 110.2 | S65 R66 I71 A72 L73 | S65-I69 VanDerWaalsContact O-CG1 3.32Å; S65-I69 WeakPolarHBondContact O-CG1 3.31Å; S65-I69 PolarHBondContact O-N 3.09Å; S65-I69 VanDerWaalsContact O-N 3.16Å; R66-I69 PolarHBondContact O-N 3.04Å; I69-I71 PolarHBondContact O-N 3.44Å; I69-A72 PolarHBondContact O-N 3.07Å; I69-L73 HydrophobicContact CG2-CD1 4Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CG 3.3Å; I69-L73 PolarHBondContact O-N 3.24Å |
| 70 | T | 71.5 | Confident | 73 | Confident | 75 Ų | 75 | 93.6 Ų | 93.6 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 176.9 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | R66 L67 L73 V74 | R66-T70 PolarHBondContact O-N 3.33Å; R66-T70 PolarHBondContact O-OG1 2.9Å; R66-T70 VanDerWaalsContact O-OG1 3.09Å; L67-T70 PolarHBondContact O-N 2.9Å; T70-L73 PolarHBondContact O-N 3.17Å; T70-V74 WeakPolarHBondContact O-CG2 3.44Å; T70-V74 PolarHBondContact O-N 2.76Å |
| 71 | I | 72.5 | Confident | 73.2 | Confident | 50 Ų | 50 | 94.2 Ų | 94.2 | 26% | 0.256 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 176.7 | -68.9 | 166.5 | 0 | 0 | 0 | 110.8 | F54 L63 L67 R68 I69 L73 V74 V75 | F54-I71 HydrophobicContact CD1-CD1 4.38Å; L63-I71 HydrophobicContact CD1-CD1 3.79Å; L67-I71 HydrophobicContact CG-CD1 4.22Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.24Å; L67-I71 PolarHBondContact O-N 2.84Å; R68-I71 PolarHBondContact O-N 3.4Å; I69-I71 PolarHBondContact O-N 3.44Å; I71-L73 PolarHBondContact O-N 3.41Å; I71-V74 PolarHBondContact O-N 2.98Å; I71-V75 HydrophobicContact CG2-CG2 4.33Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 3.47Å |
| 72 | A | 66.9 | Low | 73.3 | Confident | 57 Ų | 57 | 100.6 Ų | 100.6 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R68 I69 V74 V75 E76 | R68-A72 WeakPolarHBondContact O-CB 3.32Å; R68-A72 PolarHBondContact O-N 3.4Å; I69-A72 PolarHBondContact O-N 3.07Å; A72-V74 PolarHBondContact O-N 2.91Å; A72-V75 PolarHBondContact O-N 2.9Å; A72-E76 WeakPolarHBondContact O-CB 3.35Å; A72-E76 PolarHBondContact O-N 3.46Å |
| 73 | L | 74.9 | Confident | 73.2 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 178.6 | -69.8 | 171.8 | 0 | 0 | 0 | 112.6 | I69 T70 I71 E76 E77 | I69-L73 HydrophobicContact CG2-CD1 4Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CG 3.3Å; I69-L73 PolarHBondContact O-N 3.24Å; T70-L73 PolarHBondContact O-N 3.17Å; I71-L73 PolarHBondContact O-N 3.41Å; L73-E76 PolarHBondContact O-N 3.19Å; L73-E77 WeakPolarHBondContact O-CB 3.42Å; L73-E77 PolarHBondContact O-N 2.92Å |
| 74 | V | 74.2 | Confident | 73.2 | Confident | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | T70 I71 A72 E77 E78 | T70-V74 WeakPolarHBondContact O-CG2 3.44Å; T70-V74 PolarHBondContact O-N 2.76Å; I71-V74 PolarHBondContact O-N 2.98Å; A72-V74 PolarHBondContact O-N 2.91Å; V74-E77 PolarHBondContact O-N 3.26Å; V74-E78 WeakPolarHBondContact O-CG 3.37Å; V74-E78 PolarHBondContact O-N 3.33Å |
| 75 | V | 75 | Confident | 72.9 | Confident | 76 Ų | 76 | 105.3 Ų | 105.3 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | I71 A72 E78 L79 | I71-V75 HydrophobicContact CG2-CG2 4.33Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 3.47Å; A72-V75 PolarHBondContact O-N 2.9Å; V75-E78 PolarHBondContact O-N 3.09Å; V75-L79 HydrophobicContact CG1-CD1 3.86Å; V75-L79 HydrophobicContact CG1-CG 4.3Å; V75-L79 WeakPolarHBondContact O-CB 3.23Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.4Å; V75-L79 PolarHBondContact O-N 3.19Å |
| 76 | E | 72.1 | Confident | 73 | Confident | 133 Ų | 133 | 105.7 Ų | 105.7 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 178 | -160.3 | 175.8 | -170.3 | 0 | 0 | 111.8 | A72 L73 L79 Y80 | A72-E76 WeakPolarHBondContact O-CB 3.35Å; A72-E76 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact O-N 3.19Å; E76-L79 PolarHBondContact O-N 3.02Å; E76-Y80 VanDerWaalsContact O-CB 3.28Å; E76-Y80 WeakPolarHBondContact O-CB 3.31Å; E76-Y80 PolarHBondContact O-N 2.94Å |
| 77 | E | 76.8 | Confident | 73 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.6 | -163.2 | -170.6 | 145 | 0 | 0 | 112.2 | L73 V74 Y80 K81 | L73-E77 WeakPolarHBondContact O-CB 3.42Å; L73-E77 PolarHBondContact O-N 2.92Å; V74-E77 PolarHBondContact O-N 3.26Å; E77-Y80 PolarHBondContact O-N 2.93Å; E77-K81 WeakPolarHBondContact O-CG 3.24Å; E77-K81 PolarHBondContact O-N 3.4Å; E77-K81 WeakPolarHBondContact OE1-CE 3.44Å; E77-K81 IonicContact OE1-NZ 3.26Å; E77-K81 PolarHBondContact OE1-NZ 3.07Å |
| 78 | E | 75.6 | Confident | 72.9 | Confident | 97 Ų | 97 | 109 Ų | 109 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71 | -35.9 | 177.8 | -74 | -58.7 | 128.4 | 0 | 0 | 112.7 | V74 V75 K81 R82 | V74-E78 WeakPolarHBondContact O-CG 3.37Å; V74-E78 PolarHBondContact O-N 3.33Å; V75-E78 PolarHBondContact O-N 3.09Å; E78-K81 PolarHBondContact O-N 3.47Å; E78-K81 IonicContact OE1-NZ 3.98Å; E78-K81 PolarHBondContact OE1-NZ 2.99Å; E78-R82 PolarHBondContact O-N 3.11Å |
| 79 | L | 72.8 | Confident | 72.4 | Confident | 108 Ų | 108 | 113.4 Ų | 113.4 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 171.3 | -73.2 | 174.1 | 0 | 0 | 0 | 111.3 | V75 E76 R82 D83 | V75-L79 HydrophobicContact CG1-CD1 3.86Å; V75-L79 HydrophobicContact CG1-CG 4.3Å; V75-L79 WeakPolarHBondContact O-CB 3.23Å; V75-L79 VanDerWaalsContact O-CG 3.26Å; V75-L79 WeakPolarHBondContact O-CG 3.4Å; V75-L79 PolarHBondContact O-N 3.19Å; E76-L79 PolarHBondContact O-N 3.02Å; L79-R82 PolarHBondContact O-N 3.35Å; L79-D83 PolarHBondContact O-N 3.38Å |
| 80 | Y | 74 | Confident | 71.4 | Confident | 135 Ų | 135 | 114.2 Ų | 114.2 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.5 | -39.8 | 175.8 | -176.7 | -99.3 | 0 | 0 | 0 | 112.4 | E76 E77 D83 K84 | E76-Y80 VanDerWaalsContact O-CB 3.28Å; E76-Y80 WeakPolarHBondContact O-CB 3.31Å; E76-Y80 PolarHBondContact O-N 2.94Å; E77-Y80 PolarHBondContact O-N 2.93Å; Y80-D83 PolarHBondContact O-N 2.76Å; Y80-K84 HydrophobicContact CE1-CD 3.86Å; Y80-K84 PolarHBondContact O-N 2.91Å; Y80-K84 VanDerWaalsContact OH-CE 3.24Å; Y80-K84 WeakPolarHBondContact OH-CE 3.2Å; Y80-K84 PolarHBondContact OH-NZ 2.94Å |
| 81 | K | 78.9 | Confident | 70.2 | Confident | 85 Ų | 85 | 119.7 Ų | 119.7 | 37% | 0.37 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.2 | -45.2 | 172.5 | -76.2 | 174.3 | -167.4 | 155 | 0 | 111.5 | E77 E78 K84 E85 | E77-K81 WeakPolarHBondContact O-CG 3.24Å; E77-K81 PolarHBondContact O-N 3.4Å; E77-K81 WeakPolarHBondContact OE1-CE 3.44Å; E77-K81 IonicContact OE1-NZ 3.26Å; E77-K81 PolarHBondContact OE1-NZ 3.07Å; E78-K81 PolarHBondContact O-N 3.47Å; E78-K81 IonicContact OE1-NZ 3.98Å; E78-K81 PolarHBondContact OE1-NZ 2.99Å; K81-K84 PolarHBondContact O-N 3.34Å; K81-E85 PolarHBondContact O-N 2.99Å |
| 82 | R | 72.7 | Confident | 69.1 | Low | 181 Ų | 181 | 122.9 Ų | 122.9 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -42.8 | 176.4 | -85.4 | -173.3 | 172.3 | 176.7 | 0.3 | 112.8 | E78 L79 K84 E85 V86 | E78-R82 PolarHBondContact O-N 3.11Å; L79-R82 PolarHBondContact O-N 3.35Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.92Å; R82-E85 PolarHBondContact O-N 3.46Å; R82-V86 VanDerWaalsContact O-CG2 3.31Å; R82-V86 WeakPolarHBondContact O-CG2 3.35Å; R82-V86 PolarHBondContact O-N 3.39Å |
| 83 | D | 71 | Confident | 68 | Low | 66 Ų | 66 | 125.9 Ų | 125.9 | 35% | 0.353 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.3 | -39.7 | 176.1 | -173.6 | 42.7 | 0 | 0 | 0 | 111.2 | L79 Y80 E85 V86 R87 | L79-D83 PolarHBondContact O-N 3.38Å; Y80-D83 PolarHBondContact O-N 2.76Å; D83-E85 PolarHBondContact O-N 3.35Å; D83-V86 PolarHBondContact O-N 3.45Å; D83-R87 WeakPolarHBondContact O-CG 3.39Å; D83-R87 PolarHBondContact O-N 3.03Å; D83-R87 IonicContact OD1-CZ 2.94Å; D83-R87 IonicContact OD1-NE 3.85Å; D83-R87 PolarHBondContact OD1-NE 3.43Å; D83-R87 IonicContact OD1-NH2 3.5Å; D83-R87 IonicContact OD2-CZ 3.58Å; D83-R87 IonicContact OD2-NE 3.16Å; D83-R87 PolarHBondContact OD2-NE 2.95Å; D83-R87 IonicContact OD2-NH2 3.21Å; D83-R87 PolarHBondContact OD2-NH2 3.34Å |
| 84 | K | 75.1 | Confident | 66.9 | Low | 114 Ų | 114 | 130 Ų | 130 | 50% | 0.496 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64 | -36 | 172.8 | -96.3 | -173.2 | 172.6 | 174 | 0 | 113.8 | Y80 K81 R82 K88 | Y80-K84 HydrophobicContact CE1-CD 3.86Å; Y80-K84 PolarHBondContact O-N 2.91Å; Y80-K84 VanDerWaalsContact OH-CE 3.24Å; Y80-K84 WeakPolarHBondContact OH-CE 3.2Å; Y80-K84 PolarHBondContact OH-NZ 2.94Å; K81-K84 PolarHBondContact O-N 3.34Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.92Å; K84-K88 WeakPolarHBondContact O-CG 3.37Å |
| 85 | E | 74 | Confident | 65.3 | Low | 140 Ų | 140 | 133.8 Ų | 133.8 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.3 | -37.1 | 176.7 | -74.9 | -170.1 | 166.1 | 0 | 0 | 112.5 | K81 R82 D83 R87 K88 | K81-E85 PolarHBondContact O-N 2.99Å; R82-E85 PolarHBondContact O-N 3.46Å; D83-E85 PolarHBondContact O-N 3.35Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-K88 PolarHBondContact O-N 2.9Å |
| 86 | V | 72.1 | Confident | 64.1 | Low | 102 Ų | 102 | 133.8 Ų | 133.8 | 62% | 0.618 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.3 | -38.8 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | R82 D83 K88 R89 | R82-V86 VanDerWaalsContact O-CG2 3.31Å; R82-V86 WeakPolarHBondContact O-CG2 3.35Å; R82-V86 PolarHBondContact O-N 3.39Å; D83-V86 PolarHBondContact O-N 3.45Å; V86-K88 PolarHBondContact O-N 3.25Å; V86-R89 PolarHBondContact O-N 3.38Å |
| 87 | R | 68.3 | Low | 63 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -9.4 | 177.1 | -69.8 | -177.6 | -163.8 | -169.6 | 6.9 | 115.1 | D83 E85 | D83-R87 WeakPolarHBondContact O-CG 3.39Å; D83-R87 PolarHBondContact O-N 3.03Å; D83-R87 IonicContact OD1-CZ 2.94Å; D83-R87 IonicContact OD1-NE 3.85Å; D83-R87 PolarHBondContact OD1-NE 3.43Å; D83-R87 IonicContact OD1-NH2 3.5Å; D83-R87 IonicContact OD2-CZ 3.58Å; D83-R87 IonicContact OD2-NE 3.16Å; D83-R87 PolarHBondContact OD2-NE 2.95Å; D83-R87 IonicContact OD2-NH2 3.21Å; D83-R87 PolarHBondContact OD2-NH2 3.34Å; E85-R87 VanDerWaalsContact C-N 3.34Å |
| 88 | K | 71 | Confident | 61.6 | Low | 170 Ų | 170 | 131.3 Ų | 131.3 | 74% | 0.739 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -3.8 | 179.1 | -78 | -177.8 | 179.4 | -175.6 | 0 | 114.5 | K84 E85 V86 P90 | K84-K88 WeakPolarHBondContact O-CG 3.37Å; E85-K88 PolarHBondContact O-N 2.9Å; V86-K88 PolarHBondContact O-N 3.25Å; K88-P90 WeakPolarHBondContact O-CD 3.33Å |
| 89 | R | 57.5 | Low | 59.8 | Low | 202 Ų | 202 | 133.1 Ų | 133.1 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -88.9 | 116.3 | 177.2 | -68 | -171.1 | -173.2 | -171.6 | 1.9 | 110.5 | V86 F91 | V86-R89 PolarHBondContact O-N 3.38Å; R89-F91 PolarHBondContact O-N 3.05Å |
| 90 | P | 52.8 | Low | 58.4 | Low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | trans | -67.6 | 125.8 | 170.5 | 27 | -30.3 | 0 | 0 | 0 | 109.1 | K88 S92 | K88-P90 WeakPolarHBondContact O-CD 3.33Å; P90-S92 PolarHBondContact O-N 2.94Å | ||
| 91 | F | 45.4 | Very low | 56.8 | Low | 190 Ų | 190 | 133.7 Ų | 133.7 | 83% | 0.833 | 73% | 0.727 | S | S | * | * | trans | -76.9 | 114.4 | 167 | -81.6 | -91.5 | 0 | 0 | 0 | 108.6 | R89 V93 | R89-F91 PolarHBondContact O-N 3.05Å; F91-V93 PolarHBondContact O-N 3.07Å | ||
| 92 | S | 49.3 | Very low | 54.6 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -76.3 | 112.7 | 161.4 | 46.2 | 0 | 0 | 0 | 0 | 108.5 | P90 | P90-S92 PolarHBondContact O-N 2.94Š| ||
| 93 | V | 44.3 | Very low | 53.2 | Low | 120 Ų | 120 | 134.3 Ų | 134.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -94.3 | 108.3 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | F91 | F91-V93 PolarHBondContact O-N 3.07Š| ||
| 94 | E | 53 | Low | 51.3 | Low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -80.5 | 129.6 | 162.4 | -81.3 | -174.3 | 159 | 0 | 0 | 109.3 | ||||
| 95 | N | 40.4 | Very low | 49.1 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -71.7 | 123.4 | 178.4 | -70.7 | -44.2 | 0 | 0 | 0 | 110.7 | ||||
| 96 | G | 49.9 | Very low | 47 | Very low | 76 Ų | 76 | 141.4 Ų | 141.4 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -154 | 108.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 97 | A | 47.5 | Very low | 44.8 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -33.8 | 136.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 98 | G | 47.4 | Very low | 43 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 161.5 | 92.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 99 | V | 38.6 | Very low | 40.8 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -52.9 | 132.5 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 100 | T | 42.4 | Very low | 39.6 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | 177.6 | 150 | 124.9 | 27.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 101 | P | 41.2 | Very low | 38.7 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -97 | 159.5 | -156.8 | 37.6 | -34 | 0 | 0 | 0 | 116.3 | ||
| 102 | I | 32.9 | Very low | 38.1 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 147.8 | 176.3 | -59.3 | 162.4 | 0 | 0 | 0 | 111.9 | ||
| 103 | P | 43.8 | Very low | 37.1 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 117.5 | 151.9 | 29.2 | -17.6 | 0 | 0 | 0 | 111.8 | ||
| 104 | S | 29.9 | Very low | 36.4 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.1 | 163.6 | 56 | 0 | 0 | 0 | 0 | 110.9 | ||
| 105 | I | 29.9 | Very low | 35.2 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -109.3 | 113 | 161.8 | -64.1 | 177.1 | 0 | 0 | 0 | 108.1 | ||||
| 106 | R | 28.9 | Very low | 34.4 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -78.6 | 146.3 | 163.3 | -78.9 | -177.9 | 175.3 | -176.4 | -1.9 | 109.2 | ||||
| 107 | V | 26.6 | Very low | 33.2 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | trans | -124.3 | 112.5 | 155.8 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 108 | D | 31.2 | Very low | 32.1 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -79.2 | 140.9 | 176.9 | -69.4 | -44.6 | 0 | 0 | 0 | 110.7 | ||||
| 109 | F | 24.6 | Very low | 30.9 | Very low | 209 Ų | 209 | 138 Ų | 138 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -90 | 130.5 | 164.4 | -78.2 | -92.1 | 0 | 0 | 0 | 108.9 | ||||
| 110 | A | 31.3 | Very low | 30.3 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -105.8 | 132.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 111 | E | 34 | Very low | 29.4 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -67 | 167.6 | -173.1 | -77.1 | 178.5 | 149.2 | 0 | 0 | 116.7 | ||||
| 112 | P | 32.8 | Very low | 29 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -89.6 | 154.1 | 176.9 | 36.8 | -32.8 | 0 | 0 | 0 | 113.1 | ||||
| 113 | C | 28.8 | Very low | 28.9 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -116.1 | 137.1 | 171.7 | -76.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 114 | A | 29.9 | Very low | 28.2 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 170.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 115 | P | 27.7 | Very low | 28.5 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 149.3 | -170.8 | 35.6 | -30.7 | 0 | 0 | 0 | 113.7 | ||
| 116 | V | 24.1 | Very low | 28.8 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 124.1 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 117 | L | 23.4 | Very low | 29.4 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.4 | 163.7 | -148.3 | 97.8 | 0 | 0 | 0 | 108.6 | L119 | L117-L119 HydrophobicContact CD2-CD1 4.48Š|
| 118 | T | 24.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 62% | 0.62 | 80% | 0.801 | S | S | * | * | trans | -128.7 | 114.1 | 167.5 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | F120 | T118-F120 HydrophobicContact CG2-CD2 3.71Å; T118-F120 HydrophobicContact CG2-CE2 3.6Å | ||
| 119 | L | 22.7 | Very low | 30.5 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 71% | 0.707 | 81% | 0.808 | S | S | * | * | trans | -97.8 | 120.6 | 173.4 | -139.7 | 132.2 | 0 | 0 | 0 | 106.5 | L117 I121 | L117-L119 HydrophobicContact CD2-CD1 4.48Å; L119-I121 HydrophobicContact CD2-CD1 4.12Å; L119-I121 HydrophobicContact CD2-CG1 3.95Å | ||
| 120 | F | 25.1 | Very low | 31 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -105 | 114.8 | 169.4 | -94.4 | -84.6 | 0 | 0 | 0 | 109.2 | T118 L122 | T118-F120 HydrophobicContact CG2-CD2 3.71Å; T118-F120 HydrophobicContact CG2-CE2 3.6Å; F120-L122 HydrophobicContact CD1-CD1 4.36Å | ||
| 121 | I | 24.4 | Very low | 31.1 | Very low | 143 Ų | 143 | 139 Ų | 139 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -104.9 | 116.7 | 159.3 | -60.9 | 174.9 | 0 | 0 | 0 | 105.9 | L119 | L119-I121 HydrophobicContact CD2-CD1 4.12Å; L119-I121 HydrophobicContact CD2-CG1 3.95Å | ||
| 122 | L | 32.4 | Very low | 31.2 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -128.4 | 114.4 | 159.7 | -69.8 | 169.8 | 0 | 0 | 0 | 103.6 | F120 | F120-L122 HydrophobicContact CD1-CD1 4.36Š| ||
| 123 | G | 31.8 | Very low | 31.3 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | 64.5 | 101.1 | 80.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 124 | G | 27.6 | Very low | 31.5 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | cis | 114.5 | 104 | 48.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 125 | E | 36.4 | Very low | 31.5 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -155.7 | 122.8 | 160.1 | -119.1 | 179 | -167.9 | 0 | 0 | 109.1 | ||||
| 126 | E | 36.9 | Very low | 31.5 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -71.8 | 137.2 | -179.5 | -61.4 | 179.6 | 153.1 | 0 | 0 | 110.3 | ||||
| 127 | N | 40.5 | Very low | 31.8 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -145.4 | 128.2 | 148.3 | -127.2 | -20.6 | 0 | 0 | 0 | 110.6 | ||||
| 128 | K | 38.5 | Very low | 31.9 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 131.7 | -177.4 | -65.5 | 168.9 | 179.2 | 171.8 | 0 | 108.7 | ||||
| 129 | D | 43 | Very low | 32.2 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | 154 | 142 | 136.5 | -76.7 | -21.7 | 0 | 0 | 0 | 112 | ||||
| 130 | C | 36.2 | Very low | 32.2 | Very low | 129 Ų | 129 | 148 Ų | 148 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | 83.8 | 99.4 | 171 | -64.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 131 | S | 33 | Very low | 32.5 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -58.1 | 126.1 | 167.6 | 52 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 132 | C | 36.4 | Very low | 32.8 | Very low | 131 Ų | 131 | 154.8 Ų | 154.8 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -161.6 | 113.2 | 142.6 | -92.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 133 | R | 33.6 | Very low | 32.5 | Very low | 247 Ų | 247 | 151.9 Ų | 151.9 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | trans | -64.8 | 137.7 | -174.7 | -67.8 | 175.5 | 173.4 | 176.9 | -2.9 | 111.8 | ||||
| 134 | P | 33.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 155.2 Ų | 155.2 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | trans | -86.5 | 116.7 | 156.5 | 30.9 | -22.9 | 0 | 0 | 0 | 108.6 | S136 | P134-S136 VanDerWaalsContact C-N 3.31Å; P134-S136 PolarHBondContact O-N 3.26Å | ||
| 135 | A | 31.3 | Very low | 32.5 | Very low | 92 Ų | 92 | 157.5 Ų | 157.5 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -72.7 | 90.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | F137 | A135-F137 PolarHBondContact O-N 2.81Š| ||
| 136 | S | 26.5 | Very low | 32.4 | Very low | 103 Ų | 103 | 158.6 Ų | 158.6 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -78.9 | 98.5 | 162.9 | -41.2 | 0 | 0 | 0 | 0 | 107.5 | P134 | P134-S136 VanDerWaalsContact C-N 3.31Å; P134-S136 PolarHBondContact O-N 3.26Å | ||
| 137 | F | 30.4 | Very low | 32.2 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -114 | 112 | 171.1 | -97.4 | -83.7 | 0 | 0 | 0 | 111.8 | A135 | A135-F137 PolarHBondContact O-N 2.81Š| ||
| 138 | F | 26.2 | Very low | 31.8 | Very low | 178 Ų | 178 | 156 Ų | 156 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -16.3 | 133.8 | 149.6 | -90.5 | -104 | 0 | 0 | 0 | 116.8 | ||||
| 139 | L | 29.5 | Very low | 31.6 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -147.1 | 92.5 | 140.6 | -112.1 | 152.8 | 0 | 0 | 0 | 108.6 | ||||
| 140 | M | 24.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -119.6 | 88.9 | 171.6 | -169.6 | -171.5 | 103.1 | 0 | 0 | 106.8 | ||||
| 141 | Y | 29.9 | Very low | 30.8 | Very low | 211 Ų | 211 | 153.5 Ų | 153.5 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -164 | 128.6 | 166.9 | -92.9 | -84.1 | 0 | 0 | 0 | 104.1 | ||||
| 142 | W | 30.7 | Very low | 30.7 | Very low | 246 Ų | 246 | 154.5 Ų | 154.5 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | cis | -162.5 | 139.5 | 40.7 | -151.5 | 16.4 | 0 | 0 | 0 | 108.9 | ||||
| 143 | A | 27.3 | Very low | 30.5 | Very low | 89 Ų | 89 | 153.1 Ų | 153.1 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -107.4 | 130.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 144 | H | 28.2 | Very low | 30.4 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | trans | -179.1 | 123.3 | 131.4 | -146.2 | -67.7 | 0 | 0 | 0 | 111.8 | ||||
| 145 | P | 30 | Very low | 30.4 | Very low | 124 Ų | 124 | 152 Ų | 152 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -97.5 | 98.3 | 166.2 | 33.3 | -22.9 | 0 | 0 | 0 | 109.2 | ||||
| 146 | R | 34 | Very low | 30.5 | Very low | 224 Ų | 224 | 150.7 Ų | 150.7 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -152.2 | 97.7 | 165.2 | -90.2 | -169.1 | -178 | 175.9 | -0.9 | 110.4 | ||||
| 147 | A | 33 | Very low | 30.8 | Very low | 105 Ų | 105 | 157.4 Ų | 157.4 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -165.1 | 101.4 | 141 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 148 | K | 32.4 | Very low | 31 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 81% | 0.809 | 82% | 0.817 | S | S | * | * | trans | -74.4 | 143.3 | 161.9 | -95 | -179.4 | 170.3 | -172.6 | 0 | 107.8 | ||||
| 149 | D | 34.1 | Very low | 31.6 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | 61.2 | 109.5 | 151 | -47 | -30.1 | 0 | 0 | 0 | 117.2 | ||||
| 150 | G | 33.7 | Very low | 32.1 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 175.2 | 77.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V152 | G150-V152 PolarHBondContact O-N 3.08Š| ||
| 151 | I | 29.4 | Very low | 32.9 | Very low | 176 Ų | 176 | 144 Ų | 144 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | trans | -57.6 | 121.7 | 164 | -64 | 166.1 | 0 | 0 | 0 | 107.9 | ||||
| 152 | V | 31.8 | Very low | 33.4 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -132.5 | 121.5 | 164 | -178 | 0 | 0 | 0 | 0 | 109.3 | G150 | G150-V152 PolarHBondContact O-N 3.08Š| ||
| 153 | S | 32.1 | Very low | 34.1 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -56 | 137.1 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 112.3 | D155 | S153-D155 PolarHBondContact O-N 2.98Š| ||
| 154 | L | 30.2 | Very low | 35.6 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -72.8 | 106.5 | 166.8 | -86.9 | 152.8 | 0 | 0 | 0 | 108.5 | ||||
| 155 | D | 34.5 | Very low | 36.5 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -123.9 | 130.4 | 160.6 | -136.2 | -9.5 | 0 | 0 | 0 | 109.1 | S153 R157 | S153-D155 PolarHBondContact O-N 2.98Å; D155-R157 PolarHBondContact O-N 3.43Å | ||
| 156 | G | 32 | Very low | 38.4 | Very low | 65 Ų | 65 | 139.8 Ų | 139.8 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -55.9 | 128.4 | -159.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 157 | R | 34.2 | Very low | 40 | Very low | 244 Ų | 244 | 135.7 Ų | 135.7 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -169.4 | 136.8 | 150.5 | -102 | 165.1 | -135.8 | -148.4 | 6.6 | 109.9 | D155 C159 | D155-R157 PolarHBondContact O-N 3.43Å; R157-C159 PolarHBondContact O-N 3.38Å | ||
| 158 | T | 33.1 | Very low | 41.3 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -49.7 | 111.1 | -177.3 | 37.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 159 | C | 38.5 | Very low | 43.1 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | -77.1 | 121.9 | 167.2 | 166.9 | 0 | 0 | 0 | 0 | 110.4 | R157 C161 | R157-C159 PolarHBondContact O-N 3.38Å; C159-C161 WeakPolarHBondContact CB-SG 3.4Å; C159-C161 PolarHBondContact O-N 3.01Å; C159-C161 PolarHBondContact O-SG 2.94Å; C159-C161 VanDerWaalsContact O-SG 3.36Å; C159-C161 WeakPolarHBondContact SG-CB 2.93Å; C159-C161 CovalentContact SG-SG 2.08Å; C159-C161 PolarHBondContact SG-SG 3.28Å | ||
| 160 | G | 40.1 | Very low | 45 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | -74.2 | 47.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L162 | G160-L162 VanDerWaalsContact C-N 3.28Å; G160-L162 PolarHBondContact O-N 3.18Å | ||
| 161 | C | 42.8 | Very low | 46.6 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 64% | 0.635 | 73% | 0.729 | S | S | * | * | trans | -88.9 | 28.3 | -174.4 | 14.2 | 0 | 0 | 0 | 0 | 114.1 | C159 | C159-C161 WeakPolarHBondContact CB-SG 3.4Å; C159-C161 PolarHBondContact O-N 3.01Å; C159-C161 PolarHBondContact O-SG 2.94Å; C159-C161 VanDerWaalsContact O-SG 3.36Å; C159-C161 WeakPolarHBondContact SG-CB 2.93Å; C159-C161 CovalentContact SG-SG 2.08Å; C159-C161 PolarHBondContact SG-SG 3.28Å | ||
| 162 | L | 40.4 | Very low | 48.4 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 80% | 0.801 | 70% | 0.703 | S | S | * | * | trans | -100.3 | 17.3 | -176.6 | -105 | 159.6 | 0 | 0 | 0 | 114.7 | G160 | G160-L162 VanDerWaalsContact C-N 3.28Å; G160-L162 PolarHBondContact O-N 3.18Å | ||
| 163 | R | 44.8 | Very low | 50.3 | Low | 220 Ų | 220 | 125.1 Ų | 125.1 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.2 | -11 | -179.6 | -78.6 | -171.4 | -177.9 | -174.1 | 1.2 | 115.6 | ||
| 164 | D | 57.7 | Low | 52.3 | Low | 114 Ų | 114 | 123 Ų | 123 | 61% | 0.61 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -90 | -6.7 | -174.8 | -70.2 | -14.7 | 0 | 0 | 0 | 114.6 | W168 | D164-W168 PolarHBondContact O-N 3.4Å; D164-W168 VanDerWaalsContact O-N 3.16Å |
| 165 | L | 49.1 | Very low | 54.1 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 59% | 0.592 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.2 | -35.4 | 179.2 | -150.6 | 76.5 | 0 | 0 | 0 | 111.7 | W168 T169 | L165-W168 PolarHBondContact O-N 3.33Å; L165-T169 WeakPolarHBondContact O-CB 3.47Å; L165-T169 PolarHBondContact O-N 2.84Å; L165-T169 PolarHBondContact O-OG1 3.25Å |
| 166 | D | 68.2 | Low | 55.8 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.4 | -37.3 | 178 | -80.1 | -18.1 | 0 | 0 | 0 | 112.2 | T169 T170 | D166-T169 PolarHBondContact O-N 2.94Å; D166-T170 WeakPolarHBondContact O-CB 3.48Å; D166-T170 PolarHBondContact O-N 3.22Å; D166-T170 PolarHBondContact O-OG1 3.25Å |
| 167 | E | 67.4 | Low | 57.7 | Low | 138 Ų | 138 | 119.3 Ų | 119.3 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.3 | -42.7 | 173.9 | -74.9 | -167.3 | 174.3 | 0 | 0 | 111.1 | T169 T170 L171 | E167-T169 PolarHBondContact O-N 2.93Å; E167-T170 PolarHBondContact O-N 3.49Å; E167-L171 WeakPolarHBondContact O-CB 3.16Å; E167-L171 PolarHBondContact O-N 3.45Å |
| 168 | W | 60.8 | Low | 59.3 | Low | 167 Ų | 167 | 114.3 Ų | 114.3 | 63% | 0.633 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.3 | -43.1 | 176.1 | -169.8 | 86.9 | 0 | 0 | 0 | 112.2 | D164 L165 T170 L171 H172 | D164-W168 PolarHBondContact O-N 3.4Å; D164-W168 VanDerWaalsContact O-N 3.16Å; L165-W168 PolarHBondContact O-N 3.33Å; W168-T170 VanDerWaalsContact C-N 3.29Å; W168-T170 PolarHBondContact O-N 3.27Å; W168-L171 PolarHBondContact O-N 3.33Å; W168-H172 HydrophobicContact CE3-CB 4.39Å; W168-H172 HydrophobicContact CH2-CB 4.49Å; W168-H172 AromaticContact CH2-CD2 3.83Å; W168-H172 HydrophobicContact CZ3-CB 4.32Å; W168-H172 VanDerWaalsContact O-CB 3.23Å; W168-H172 WeakPolarHBondContact O-CB 3.37Å; W168-H172 PolarHBondContact O-N 3.25Å |
| 169 | T | 69.6 | Low | 60.6 | Low | 77 Ų | 77 | 109.8 Ų | 109.8 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.6 | -38.4 | 177.6 | -44.2 | 0 | 0 | 0 | 0 | 111.1 | L165 D166 E167 A173 | L165-T169 WeakPolarHBondContact O-CB 3.47Å; L165-T169 PolarHBondContact O-N 2.84Å; L165-T169 PolarHBondContact O-OG1 3.25Å; D166-T169 PolarHBondContact O-N 2.94Å; E167-T169 PolarHBondContact O-N 2.93Å; T169-A173 VanDerWaalsContact O-CB 3.27Å; T169-A173 WeakPolarHBondContact O-CB 3.25Å; T169-A173 PolarHBondContact O-N 3.48Å |
| 170 | T | 74.3 | Confident | 61.9 | Low | 98 Ų | 98 | 107.6 Ų | 107.6 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -43.6 | 176 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | D166 E167 W168 A173 A174 | D166-T170 WeakPolarHBondContact O-CB 3.48Å; D166-T170 PolarHBondContact O-N 3.22Å; D166-T170 PolarHBondContact O-OG1 3.25Å; E167-T170 PolarHBondContact O-N 3.49Å; W168-T170 VanDerWaalsContact C-N 3.29Å; W168-T170 PolarHBondContact O-N 3.27Å; T170-A173 PolarHBondContact O-N 3.06Å; T170-A174 WeakPolarHBondContact O-CB 3.24Å; T170-A174 PolarHBondContact O-N 2.78Å |
| 171 | L | 67.8 | Low | 63.3 | Low | 130 Ų | 130 | 108 Ų | 108 | 68% | 0.681 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.6 | -40.7 | 179.2 | -143.4 | 113.7 | 0 | 0 | 0 | 111.4 | E167 W168 A174 Y175 | E167-L171 WeakPolarHBondContact O-CB 3.16Å; E167-L171 PolarHBondContact O-N 3.45Å; W168-L171 PolarHBondContact O-N 3.33Å; L171-A174 PolarHBondContact O-N 3.35Å; L171-Y175 WeakPolarHBondContact O-CB 3.23Å; L171-Y175 PolarHBondContact O-N 2.66Å |
| 172 | H | 66.8 | Low | 64.3 | Low | 75 Ų | 75 | 108.7 Ų | 108.7 | 35% | 0.347 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.1 | -40.5 | 174.6 | -171.3 | -88.1 | 0 | 0 | 0 | 111.3 | W168 T176 | W168-H172 HydrophobicContact CE3-CB 4.39Å; W168-H172 HydrophobicContact CH2-CB 4.49Å; W168-H172 AromaticContact CH2-CD2 3.83Å; W168-H172 HydrophobicContact CZ3-CB 4.32Å; W168-H172 VanDerWaalsContact O-CB 3.23Å; W168-H172 WeakPolarHBondContact O-CB 3.37Å; W168-H172 PolarHBondContact O-N 3.25Å; H172-T176 VanDerWaalsContact O-CB 3.32Å; H172-T176 WeakPolarHBondContact O-CB 3.39Å; H172-T176 PolarHBondContact O-N 3.44Å; H172-T176 PolarHBondContact O-OG1 3.27Å |
| 173 | A | 72.9 | Confident | 64.9 | Low | 59 Ų | 59 | 103.4 Ų | 103.4 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T169 T170 K177 | T169-A173 VanDerWaalsContact O-CB 3.27Å; T169-A173 WeakPolarHBondContact O-CB 3.25Å; T169-A173 PolarHBondContact O-N 3.48Å; T170-A173 PolarHBondContact O-N 3.06Å; A173-K177 VanDerWaalsContact O-CB 3.31Å; A173-K177 WeakPolarHBondContact O-CB 3.46Å; A173-K177 PolarHBondContact O-N 2.84Å |
| 174 | A | 74.2 | Confident | 65.1 | Low | 57 Ų | 57 | 98.7 Ų | 98.7 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | T170 L171 K177 E178 | T170-A174 WeakPolarHBondContact O-CB 3.24Å; T170-A174 PolarHBondContact O-N 2.78Å; L171-A174 PolarHBondContact O-N 3.35Å; A174-K177 WeakPolarHBondContact O-CB 3.38Å; A174-K177 PolarHBondContact O-N 2.85Å; A174-E178 PolarHBondContact O-N 2.97Å |
| 175 | Y | 66.6 | Low | 65.4 | Low | 110 Ų | 110 | 94.6 Ų | 94.6 | 43% | 0.431 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.6 | -179.4 | -105.9 | 0 | 0 | 0 | 112.4 | L171 K177 E178 L179 M202 | L171-Y175 WeakPolarHBondContact O-CB 3.23Å; L171-Y175 PolarHBondContact O-N 2.66Å; Y175-K177 VanDerWaalsContact C-N 3.3Å; Y175-K177 PolarHBondContact O-N 2.97Å; Y175-E178 PolarHBondContact O-N 2.97Å; Y175-L179 HydrophobicContact CD1-CD1 3.76Å; Y175-L179 HydrophobicContact CD1-CG 4.46Å; Y175-L179 HydrophobicContact CE1-CD1 3.17Å; Y175-L179 HydrophobicContact CE1-CG 4.07Å; Y175-L179 HydrophobicContact CE2-CD1 4.22Å; Y175-L179 HydrophobicContact CE2-CG 4.3Å; Y175-L179 HydrophobicContact CG-CD1 4.49Å; Y175-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 3.16Å; Y175-M202 HydrophobicContact CE1-CE 4.31Å; Y175-M202 VanDerWaalsContact OH-CE 3.27Å; Y175-M202 WeakPolarHBondContact OH-CE 3.29Å |
| 176 | T | 69.7 | Low | 66.7 | Low | 49 Ų | 49 | 97.2 Ų | 97.2 | 30% | 0.301 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.2 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | H172 S180 | H172-T176 VanDerWaalsContact O-CB 3.32Å; H172-T176 WeakPolarHBondContact O-CB 3.39Å; H172-T176 PolarHBondContact O-N 3.44Å; H172-T176 PolarHBondContact O-OG1 3.27Å; T176-S180 WeakPolarHBondContact O-CB 3.49Å; T176-S180 PolarHBondContact O-N 3Å; T176-S180 PolarHBondContact O-OG 2.75Å |
| 177 | K | 72.8 | Confident | 67.4 | Low | 162 Ų | 162 | 94.2 Ų | 94.2 | 70% | 0.704 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -46.6 | 176.4 | -173.1 | 177.9 | 178.9 | -179.1 | 0 | 111.9 | A173 A174 Y175 S180 S181 | A173-K177 VanDerWaalsContact O-CB 3.31Å; A173-K177 WeakPolarHBondContact O-CB 3.46Å; A173-K177 PolarHBondContact O-N 2.84Å; A174-K177 WeakPolarHBondContact O-CB 3.38Å; A174-K177 PolarHBondContact O-N 2.85Å; Y175-K177 VanDerWaalsContact C-N 3.3Å; Y175-K177 PolarHBondContact O-N 2.97Å; K177-S180 PolarHBondContact O-N 3.42Å; K177-S180 PolarHBondContact O-OG 3.47Å; K177-S181 PolarHBondContact O-N 3.39Å |
| 178 | E | 68.9 | Low | 68 | Low | 139 Ų | 139 | 92.5 Ų | 92.5 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -47.7 | 174 | -93.6 | -123.2 | 152.2 | 0 | 0 | 112.3 | A174 Y175 S180 S181 V182 | A174-E178 PolarHBondContact O-N 2.97Å; Y175-E178 PolarHBondContact O-N 2.97Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 3.21Å; E178-S181 WeakPolarHBondContact O-CA 3.22Å; E178-S181 WeakPolarHBondContact O-CB 3.32Å; E178-S181 PolarHBondContact O-N 3.07Å; E178-S181 PolarHBondContact O-OG 2.82Å; E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.29Å |
| 179 | L | 59.8 | Low | 68.8 | Low | 51 Ų | 51 | 88.6 Ų | 88.6 | 27% | 0.267 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 177.1 | -80 | 178.2 | 0 | 0 | 0 | 112.5 | Y175 S181 V182 C183 M198 | Y175-L179 HydrophobicContact CD1-CD1 3.76Å; Y175-L179 HydrophobicContact CD1-CG 4.46Å; Y175-L179 HydrophobicContact CE1-CD1 3.17Å; Y175-L179 HydrophobicContact CE1-CG 4.07Å; Y175-L179 HydrophobicContact CE2-CD1 4.22Å; Y175-L179 HydrophobicContact CE2-CG 4.3Å; Y175-L179 HydrophobicContact CG-CD1 4.49Å; Y175-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 3.16Å; L179-S181 PolarHBondContact O-N 3.23Å; L179-V182 PolarHBondContact O-N 2.82Å; L179-C183 PolarHBondContact O-N 2.93Å; L179-M198 HydrophobicContact CD1-SD 4.38Å |
| 180 | S | 65.8 | Low | 69 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -21.2 | 175.9 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | T176 K177 E178 | T176-S180 WeakPolarHBondContact O-CB 3.49Å; T176-S180 PolarHBondContact O-N 3Å; T176-S180 PolarHBondContact O-OG 2.75Å; K177-S180 PolarHBondContact O-N 3.42Å; K177-S180 PolarHBondContact O-OG 3.47Å; E178-S180 VanDerWaalsContact C-N 3.27Å; E178-S180 PolarHBondContact O-N 3.21Å |
| 181 | S | 69.2 | Low | 68.9 | Low | 84 Ų | 84 | 90.5 Ų | 90.5 | 59% | 0.587 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -87.9 | -21.4 | 177 | 76.2 | 0 | 0 | 0 | 0 | 113.5 | K177 E178 L179 | K177-S181 PolarHBondContact O-N 3.39Å; E178-S181 WeakPolarHBondContact O-CA 3.22Å; E178-S181 WeakPolarHBondContact O-CB 3.32Å; E178-S181 PolarHBondContact O-N 3.07Å; E178-S181 PolarHBondContact O-OG 2.82Å; L179-S181 PolarHBondContact O-N 3.23Å |
| 182 | V | 62.5 | Low | 69.1 | Low | 110 Ų | 110 | 87 Ų | 87 | 67% | 0.667 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -94.5 | -20 | -177.5 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | E178 L179 | E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.29Å; L179-V182 PolarHBondContact O-N 2.82Å |
| 183 | C | 54.7 | Low | 69.5 | Low | 42 Ų | 42 | 89.5 Ų | 89.5 | 28% | 0.284 | 50% | 0.504 | S | S | . | . | trans | -99.4 | 101.6 | 177.1 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | L179 P185 | L179-C183 PolarHBondContact O-N 2.93Å; C183-P185 WeakPolarHBondContact O-CD 3.34Å | ||
| 184 | C | 48.5 | Very low | 69.3 | Low | 120 Ų | 120 | 91.2 Ų | 91.2 | 81% | 0.811 | 50% | 0.502 | S | S | * | . | trans | -91.6 | 90.3 | 166.5 | -73.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 185 | P | 64.2 | Low | 69.2 | Low | 28 Ų | 28 | 91.2 Ų | 91.2 | 18% | 0.182 | 50% | 0.496 | C | S | . | . | trans | -103.9 | 128.7 | 140.8 | 28.5 | -19.7 | 0 | 0 | 0 | 108.3 | C183 N187 E190 R191 | C183-P185 WeakPolarHBondContact O-CD 3.34Å; P185-N187 PolarHBondContact O-N 3Å; P185-E190 HydrophobicContact CB-CB 4.12Å; P185-E190 HydrophobicContact CG-CB 4.33Å; P185-R191 HydrophobicContact CG-CB 4.2Å | ||
| 186 | D | 76.4 | Confident | 69.4 | Low | 169 Ų | 169 | 90.7 Ų | 90.7 | 90% | 0.904 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -63.3 | -8.3 | 174.7 | -65.2 | -40.7 | 0 | 0 | 0 | 112.5 | P188 | D186-P188 WeakPolarHBondContact O-CD 3.42Š|
| 187 | N | 83.1 | Confident | 69.5 | Low | 62 Ų | 62 | 93.4 Ų | 93.4 | 33% | 0.332 | 51% | 0.514 | S | S | . | . | trans | -98.3 | 112.1 | 179.7 | -171 | -14.3 | 0 | 0 | 0 | 111.4 | P185 T189 E190 R191 | P185-N187 PolarHBondContact O-N 3Å; N187-T189 PolarHBondContact O-N 3.02Å; N187-T189 VanDerWaalsContact O-N 3.13Å; N187-T189 VanDerWaalsContact OD1-CB 3.25Å; N187-T189 WeakPolarHBondContact OD1-CB 3.27Å; N187-T189 PolarHBondContact OD1-N 3.24Å; N187-T189 PolarHBondContact OD1-OG1 2.87Å; N187-T189 VanDerWaalsContact OD1-OG1 3.06Å; N187-E190 HydrophobicContact CB-CB 4.14Å; N187-E190 HydrophobicContact CB-CG 4.07Å; N187-E190 PolarHBondContact O-N 3.42Å; N187-E190 VanDerWaalsContact O-N 3.13Å; N187-R191 PolarHBondContact O-N 3.34Å; N187-R191 VanDerWaalsContact O-N 3.08Å | ||
| 188 | P | 80.1 | Confident | 69.2 | Low | 101 Ų | 101 | 89.2 Ų | 89.2 | 66% | 0.656 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -24.7 | 178.1 | 22.6 | -31.8 | 0 | 0 | 0 | 113.2 | D186 A192 | D186-P188 WeakPolarHBondContact O-CD 3.42Å; P188-A192 WeakPolarHBondContact O-CB 3.33Å; P188-A192 PolarHBondContact O-N 3.36Å |
| 189 | T | 76.3 | Confident | 69.6 | Low | 86 Ų | 86 | 86 Ų | 86 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.5 | -42.5 | 177 | -40.7 | 0 | 0 | 0 | 0 | 111.6 | N187 A192 Q193 | N187-T189 PolarHBondContact O-N 3.02Å; N187-T189 VanDerWaalsContact O-N 3.13Å; N187-T189 VanDerWaalsContact OD1-CB 3.25Å; N187-T189 WeakPolarHBondContact OD1-CB 3.27Å; N187-T189 PolarHBondContact OD1-N 3.24Å; N187-T189 PolarHBondContact OD1-OG1 2.87Å; N187-T189 VanDerWaalsContact OD1-OG1 3.06Å; T189-A192 PolarHBondContact O-N 3.42Å; T189-Q193 WeakPolarHBondContact O-CG 3.45Å; T189-Q193 PolarHBondContact O-N 3.37Å |
| 190 | E | 73.7 | Confident | 70.3 | Confident | 103 Ų | 103 | 85.2 Ų | 85.2 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 176.1 | -71.7 | 178 | -177.2 | 0 | 0 | 111 | P185 N187 A192 Q193 H194 | P185-E190 HydrophobicContact CB-CB 4.12Å; P185-E190 HydrophobicContact CG-CB 4.33Å; N187-E190 HydrophobicContact CB-CB 4.14Å; N187-E190 HydrophobicContact CB-CG 4.07Å; N187-E190 PolarHBondContact O-N 3.42Å; N187-E190 VanDerWaalsContact O-N 3.13Å; E190-A192 PolarHBondContact O-N 2.98Å; E190-Q193 PolarHBondContact O-N 3.18Å; E190-H194 WeakPolarHBondContact O-CB 3.14Å; E190-H194 PolarHBondContact O-N 2.92Å |
| 191 | R | 72.5 | Confident | 70.4 | Confident | 111 Ų | 111 | 89.3 Ų | 89.3 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 172.4 | -172.3 | -178.5 | -70.7 | -178.4 | -1.9 | 111.4 | P185 N187 Q193 H194 V195 | P185-R191 HydrophobicContact CG-CB 4.2Å; N187-R191 PolarHBondContact O-N 3.34Å; N187-R191 VanDerWaalsContact O-N 3.08Å; R191-Q193 PolarHBondContact O-N 2.95Å; R191-H194 PolarHBondContact O-N 3.41Å; R191-V195 WeakPolarHBondContact O-CG2 3.38Å; R191-V195 PolarHBondContact O-N 3.35Å |
| 192 | A | 72.9 | Confident | 70.4 | Confident | 56 Ų | 56 | 89.4 Ų | 89.4 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P188 T189 E190 T196 | P188-A192 WeakPolarHBondContact O-CB 3.33Å; P188-A192 PolarHBondContact O-N 3.36Å; T189-A192 PolarHBondContact O-N 3.42Å; E190-A192 PolarHBondContact O-N 2.98Å; A192-T196 WeakPolarHBondContact O-CB 3.43Å; A192-T196 PolarHBondContact O-N 3.06Å; A192-T196 PolarHBondContact O-OG1 3.26Å |
| 193 | Q | 74.4 | Confident | 70.7 | Confident | 129 Ų | 129 | 88.3 Ų | 88.3 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 174.5 | -74.3 | 179.9 | -8.1 | 0 | 0 | 112 | T189 E190 R191 T196 Q197 | T189-Q193 WeakPolarHBondContact O-CG 3.45Å; T189-Q193 PolarHBondContact O-N 3.37Å; E190-Q193 PolarHBondContact O-N 3.18Å; R191-Q193 PolarHBondContact O-N 2.95Å; Q193-T196 PolarHBondContact O-N 3.21Å; Q193-Q197 VanDerWaalsContact O-CB 3.28Å; Q193-Q197 WeakPolarHBondContact O-CB 3.32Å; Q193-Q197 PolarHBondContact O-N 3.42Å |
| 194 | H | 68.7 | Low | 71.5 | Confident | 94 Ų | 94 | 90.7 Ų | 90.7 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | -179.3 | -144.7 | -90.9 | 0 | 0 | 0 | 112.2 | E190 R191 Q197 M198 | E190-H194 WeakPolarHBondContact O-CB 3.14Å; E190-H194 PolarHBondContact O-N 2.92Å; R191-H194 PolarHBondContact O-N 3.41Å; H194-Q197 PolarHBondContact O-N 3.45Å; H194-M198 WeakPolarHBondContact O-CB 3.46Å; H194-M198 PolarHBondContact O-N 3.35Å |
| 195 | V | 71.5 | Confident | 72.7 | Confident | 58 Ų | 58 | 89.5 Ų | 89.5 | 35% | 0.352 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | R191 Q197 M198 N199 | R191-V195 WeakPolarHBondContact O-CG2 3.38Å; R191-V195 PolarHBondContact O-N 3.35Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 2.83Å; V195-M198 PolarHBondContact O-N 2.81Å; V195-N199 WeakPolarHBondContact O-CB 3.3Å; V195-N199 PolarHBondContact O-N 2.84Å; V195-N199 PolarHBondContact O-OD1 3.15Å |
| 196 | T | 72.7 | Confident | 73.2 | Confident | 98 Ų | 98 | 92.3 Ų | 92.3 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 178 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | A192 Q193 N199 G200 | A192-T196 WeakPolarHBondContact O-CB 3.43Å; A192-T196 PolarHBondContact O-N 3.06Å; A192-T196 PolarHBondContact O-OG1 3.26Å; Q193-T196 PolarHBondContact O-N 3.21Å; T196-N199 PolarHBondContact O-N 3.01Å; T196-G200 PolarHBondContact O-N 3.36Å |
| 197 | Q | 71 | Confident | 73.1 | Confident | 107 Ų | 107 | 91.2 Ų | 91.2 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 177.7 | -169.8 | 177 | 8.9 | 0 | 0 | 111.8 | Q193 H194 V195 G200 Y201 | Q193-Q197 VanDerWaalsContact O-CB 3.28Å; Q193-Q197 WeakPolarHBondContact O-CB 3.32Å; Q193-Q197 PolarHBondContact O-N 3.42Å; H194-Q197 PolarHBondContact O-N 3.45Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 2.83Å; Q197-G200 PolarHBondContact O-N 2.84Å; Q197-Y201 HydrophobicContact CG-CD2 3.99Å; Q197-Y201 HydrophobicContact CG-CE2 3.61Å; Q197-Y201 WeakPolarHBondContact O-CD2 3.1Å; Q197-Y201 PolarHBondContact O-N 2.93Å |
| 198 | M | 66 | Low | 72.7 | Confident | 74 Ų | 74 | 94.9 Ų | 94.9 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.8 | -83.1 | -166.2 | 154.8 | 0 | 0 | 112.5 | L179 H194 V195 G200 Y201 M202 | L179-M198 HydrophobicContact CD1-SD 4.38Å; H194-M198 WeakPolarHBondContact O-CB 3.46Å; H194-M198 PolarHBondContact O-N 3.35Å; V195-M198 PolarHBondContact O-N 2.81Å; M198-G200 VanDerWaalsContact C-N 3.32Å; M198-G200 PolarHBondContact O-N 3.36Å; M198-Y201 PolarHBondContact O-N 3.41Å; M198-M202 PolarHBondContact O-N 3.36Å |
| 199 | N | 77.5 | Confident | 72.6 | Confident | 71 Ų | 71 | 93.6 Ų | 93.6 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 174.2 | -71.1 | -9.7 | 0 | 0 | 0 | 111 | V195 T196 Y201 M202 C203 | V195-N199 WeakPolarHBondContact O-CB 3.3Å; V195-N199 PolarHBondContact O-N 2.84Å; V195-N199 PolarHBondContact O-OD1 3.15Å; T196-N199 PolarHBondContact O-N 3.01Å; N199-Y201 PolarHBondContact O-N 2.92Å; N199-M202 PolarHBondContact O-N 3.44Å; N199-C203 WeakPolarHBondContact O-CB 3.47Å; N199-C203 PolarHBondContact O-N 2.9Å; N199-C203 PolarHBondContact O-SG 3.23Å |
| 200 | G | 74.8 | Confident | 72.6 | Confident | 34 Ų | 34 | 93 Ų | 93 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T196 Q197 M198 C203 I204 | T196-G200 PolarHBondContact O-N 3.36Å; Q197-G200 PolarHBondContact O-N 2.84Å; M198-G200 VanDerWaalsContact C-N 3.32Å; M198-G200 PolarHBondContact O-N 3.36Å; G200-C203 PolarHBondContact O-N 2.65Å; G200-I204 WeakPolarHBondContact O-CD1 3.09Å; G200-I204 VanDerWaalsContact O-CG1 3.26Å; G200-I204 WeakPolarHBondContact O-CG1 3.4Å; G200-I204 PolarHBondContact O-N 3.25Å; G200-I204 VanDerWaalsContact O-N 3.09Å |
| 201 | Y | 68.6 | Low | 72.7 | Confident | 139 Ų | 139 | 89.7 Ų | 89.7 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 177 | -78.4 | -62.7 | 0 | 0 | 0 | 113 | Q197 M198 N199 I204 I205 | Q197-Y201 HydrophobicContact CG-CD2 3.99Å; Q197-Y201 HydrophobicContact CG-CE2 3.61Å; Q197-Y201 WeakPolarHBondContact O-CD2 3.1Å; Q197-Y201 PolarHBondContact O-N 2.93Å; M198-Y201 PolarHBondContact O-N 3.41Å; N199-Y201 PolarHBondContact O-N 2.92Å; Y201-I204 PolarHBondContact O-N 3.36Å; Y201-I205 VanDerWaalsContact O-CG1 3.3Å; Y201-I205 WeakPolarHBondContact O-CG1 3.41Å; Y201-I205 PolarHBondContact O-N 2.94Å |
| 202 | M | 68.7 | Low | 72.8 | Confident | 85 Ų | 85 | 86.6 Ų | 86.6 | 42% | 0.419 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 176.8 | -76.5 | -61.7 | -166.7 | 0 | 0 | 111.7 | Y175 M198 N199 I204 I205 V206 | Y175-M202 HydrophobicContact CE1-CE 4.31Å; Y175-M202 VanDerWaalsContact OH-CE 3.27Å; Y175-M202 WeakPolarHBondContact OH-CE 3.29Å; M198-M202 PolarHBondContact O-N 3.36Å; N199-M202 PolarHBondContact O-N 3.44Å; M202-I204 VanDerWaalsContact C-N 3.3Å; M202-I204 PolarHBondContact O-N 2.9Å; M202-I205 PolarHBondContact O-N 3.39Å; M202-V206 WeakPolarHBondContact O-CB 3.36Å; M202-V206 VanDerWaalsContact O-CG2 3.31Å; M202-V206 WeakPolarHBondContact O-CG2 3.35Å; M202-V206 PolarHBondContact O-N 2.95Å |
| 203 | C | 69.4 | Low | 73 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 60% | 0.595 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.2 | -41.4 | 174.4 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | N199 G200 F207 | N199-C203 WeakPolarHBondContact O-CB 3.47Å; N199-C203 PolarHBondContact O-N 2.9Å; N199-C203 PolarHBondContact O-SG 3.23Å; G200-C203 PolarHBondContact O-N 2.65Å; C203-F207 VanDerWaalsContact O-CB 3.28Å; C203-F207 WeakPolarHBondContact O-CB 3.16Å; C203-F207 PolarHBondContact O-N 2.95Å |
| 204 | I | 71.4 | Confident | 73.2 | Confident | 91 Ų | 91 | 87.9 Ų | 87.9 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 176.6 | -68.2 | 165.7 | 0 | 0 | 0 | 110.8 | G200 Y201 M202 F207 F208 | G200-I204 WeakPolarHBondContact O-CD1 3.09Å; G200-I204 VanDerWaalsContact O-CG1 3.26Å; G200-I204 WeakPolarHBondContact O-CG1 3.4Å; G200-I204 PolarHBondContact O-N 3.25Å; G200-I204 VanDerWaalsContact O-N 3.09Å; Y201-I204 PolarHBondContact O-N 3.36Å; M202-I204 VanDerWaalsContact C-N 3.3Å; M202-I204 PolarHBondContact O-N 2.9Å; I204-F207 PolarHBondContact O-N 3.49Å; I204-F208 HydrophobicContact CG2-CD2 3.7Å; I204-F208 HydrophobicContact CG2-CE2 3.78Å; I204-F208 VanDerWaalsContact O-CD2 3.3Å; I204-F208 WeakPolarHBondContact O-CD2 3.29Å; I204-F208 PolarHBondContact O-N 3.32Å |
| 205 | I | 73.2 | Confident | 73.6 | Confident | 95 Ų | 95 | 89.2 Ų | 89.2 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 179.1 | -69.1 | 166.8 | 0 | 0 | 0 | 110.6 | Y201 M202 F207 F208 C209 | Y201-I205 VanDerWaalsContact O-CG1 3.3Å; Y201-I205 WeakPolarHBondContact O-CG1 3.41Å; Y201-I205 PolarHBondContact O-N 2.94Å; M202-I205 PolarHBondContact O-N 3.39Å; I205-F207 VanDerWaalsContact C-N 3.34Å; I205-F207 PolarHBondContact O-N 3.47Å; I205-F208 PolarHBondContact O-N 2.76Å; I205-C209 PolarHBondContact O-N 3.41Å; I205-C209 PolarHBondContact O-SG 2.95Å; I205-C209 VanDerWaalsContact O-SG 3.35Å |
| 206 | V | 74.1 | Confident | 73.9 | Confident | 87 Ų | 87 | 92.2 Ų | 92.2 | 53% | 0.527 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | M202 F208 C209 V210 | M202-V206 WeakPolarHBondContact O-CB 3.36Å; M202-V206 VanDerWaalsContact O-CG2 3.31Å; M202-V206 WeakPolarHBondContact O-CG2 3.35Å; M202-V206 PolarHBondContact O-N 2.95Å; V206-F208 PolarHBondContact O-N 2.87Å; V206-C209 PolarHBondContact O-N 2.94Å; V206-V210 HydrophobicContact CG1-CG2 4.34Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.3Å |
| 207 | F | 75.6 | Confident | 74 | Confident | 146 Ų | 146 | 92.7 Ų | 92.7 | 64% | 0.64 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.6 | -45.3 | 175.9 | -179.8 | -95 | 0 | 0 | 0 | 112.1 | C203 I204 I205 V210 A211 | C203-F207 VanDerWaalsContact O-CB 3.28Å; C203-F207 WeakPolarHBondContact O-CB 3.16Å; C203-F207 PolarHBondContact O-N 2.95Å; I204-F207 PolarHBondContact O-N 3.49Å; I205-F207 VanDerWaalsContact C-N 3.34Å; I205-F207 PolarHBondContact O-N 3.47Å; F207-V210 PolarHBondContact O-N 2.8Å; F207-A211 WeakPolarHBondContact O-CB 3.19Å; F207-A211 PolarHBondContact O-N 3.01Å |
| 208 | F | 74.6 | Confident | 74.2 | Confident | 139 Ų | 139 | 95.3 Ų | 95.3 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 176.2 | -90.6 | -74.5 | 0 | 0 | 0 | 112.7 | I204 I205 V206 A212 | I204-F208 HydrophobicContact CG2-CD2 3.7Å; I204-F208 HydrophobicContact CG2-CE2 3.78Å; I204-F208 VanDerWaalsContact O-CD2 3.3Å; I204-F208 WeakPolarHBondContact O-CD2 3.29Å; I204-F208 PolarHBondContact O-N 3.32Å; I205-F208 PolarHBondContact O-N 2.76Å; V206-F208 PolarHBondContact O-N 2.87Å; F208-A212 VanDerWaalsContact O-CB 3.22Å; F208-A212 WeakPolarHBondContact O-CB 3.48Å; F208-A212 PolarHBondContact O-N 3.07Å |
| 209 | C | 76.6 | Confident | 74.4 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 51% | 0.507 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.1 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | I205 V206 A212 S213 | I205-C209 PolarHBondContact O-N 3.41Å; I205-C209 PolarHBondContact O-SG 2.95Å; I205-C209 VanDerWaalsContact O-SG 3.35Å; V206-C209 PolarHBondContact O-N 2.94Å; C209-A212 PolarHBondContact O-N 3.23Å; C209-S213 PolarHBondContact O-N 3.19Å; C209-S213 PolarHBondContact O-OG 3.16Å; C209-S213 VanDerWaalsContact O-OG 3.04Å |
| 210 | V | 77.6 | Confident | 74.1 | Confident | 72 Ų | 72 | 98.1 Ų | 98.1 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V206 F207 A212 S213 F214 | V206-V210 HydrophobicContact CG1-CG2 4.34Å; V206-V210 WeakPolarHBondContact O-CG2 3.47Å; V206-V210 PolarHBondContact O-N 3.3Å; F207-V210 PolarHBondContact O-N 2.8Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.83Å; V210-S213 PolarHBondContact O-N 3.37Å; V210-F214 HydrophobicContact CG1-CD2 3.71Å; V210-F214 HydrophobicContact CG1-CE2 3.56Å; V210-F214 VanDerWaalsContact O-CD2 3.26Å; V210-F214 WeakPolarHBondContact O-CD2 3.24Å; V210-F214 PolarHBondContact O-N 2.75Å |
| 211 | A | 74.8 | Confident | 73.9 | Confident | 35 Ų | 35 | 102.9 Ų | 102.9 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F207 F214 L215 | F207-A211 WeakPolarHBondContact O-CB 3.19Å; F207-A211 PolarHBondContact O-N 3.01Å; A211-F214 PolarHBondContact O-N 3.35Å; A211-L215 WeakPolarHBondContact O-CG 3.37Å; A211-L215 PolarHBondContact O-N 3.22Å |
| 212 | A | 75.6 | Confident | 73.8 | Confident | 46 Ų | 46 | 98.2 Ų | 98.2 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F208 C209 V210 L215 L216 | F208-A212 VanDerWaalsContact O-CB 3.22Å; F208-A212 WeakPolarHBondContact O-CB 3.48Å; F208-A212 PolarHBondContact O-N 3.07Å; C209-A212 PolarHBondContact O-N 3.23Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.83Å; A212-L215 PolarHBondContact O-N 3.45Å; A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 VanDerWaalsContact O-CG 3.26Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 2.93Å |
| 213 | S | 76.8 | Confident | 73.5 | Confident | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.4 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | C209 V210 L216 N217 | C209-S213 PolarHBondContact O-N 3.19Å; C209-S213 PolarHBondContact O-OG 3.16Å; C209-S213 VanDerWaalsContact O-OG 3.04Å; V210-S213 PolarHBondContact O-N 3.37Å; S213-L216 PolarHBondContact O-N 2.73Å; S213-N217 WeakPolarHBondContact O-CB 3.2Å; S213-N217 PolarHBondContact O-N 2.76Å |
| 214 | F | 77.8 | Confident | 73.1 | Confident | 145 Ų | 145 | 99.3 Ų | 99.3 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 174.2 | -84.8 | -71.5 | 0 | 0 | 0 | 112.1 | V210 A211 N217 Y218 | V210-F214 HydrophobicContact CG1-CD2 3.71Å; V210-F214 HydrophobicContact CG1-CE2 3.56Å; V210-F214 VanDerWaalsContact O-CD2 3.26Å; V210-F214 WeakPolarHBondContact O-CD2 3.24Å; V210-F214 PolarHBondContact O-N 2.75Å; A211-F214 PolarHBondContact O-N 3.35Å; F214-N217 PolarHBondContact O-N 3.38Å; F214-Y218 WeakPolarHBondContact O-CB 3.1Å; F214-Y218 PolarHBondContact O-N 2.92Å |
| 215 | L | 78.3 | Confident | 72.6 | Confident | 122 Ų | 122 | 100.9 Ų | 100.9 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 177.4 | -72.5 | 171.2 | 0 | 0 | 0 | 112 | A211 A212 Y218 W219 | A211-L215 WeakPolarHBondContact O-CG 3.37Å; A211-L215 PolarHBondContact O-N 3.22Å; A212-L215 PolarHBondContact O-N 3.45Å; L215-Y218 PolarHBondContact O-N 3.12Å; L215-W219 VanDerWaalsContact O-CB 3.29Å; L215-W219 WeakPolarHBondContact O-CB 3.42Å; L215-W219 PolarHBondContact O-N 2.92Å |
| 216 | L | 76.8 | Confident | 71.6 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 176.2 | -74.4 | 170 | 0 | 0 | 0 | 111.8 | A212 S213 W219 A220 | A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 VanDerWaalsContact O-CG 3.26Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 2.93Å; S213-L216 PolarHBondContact O-N 2.73Å; L216-W219 PolarHBondContact O-N 3.4Å; L216-A220 WeakPolarHBondContact O-CB 3.43Å; L216-A220 PolarHBondContact O-N 2.9Å |
| 217 | N | 75.4 | Confident | 70.6 | Confident | 108 Ų | 108 | 104.3 Ų | 104.3 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 175.3 | -86.7 | -24.9 | 0 | 0 | 0 | 112.2 | S213 F214 W219 A220 H221 | S213-N217 WeakPolarHBondContact O-CB 3.2Å; S213-N217 PolarHBondContact O-N 2.76Å; F214-N217 PolarHBondContact O-N 3.38Å; N217-W219 VanDerWaalsContact C-N 3.31Å; N217-W219 PolarHBondContact O-N 3.29Å; N217-A220 PolarHBondContact O-N 3.06Å; N217-H221 PolarHBondContact O-N 3.41Å |
| 218 | Y | 73.7 | Confident | 69.2 | Low | 162 Ų | 162 | 104.5 Ų | 104.5 | 64% | 0.635 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60 | -42.3 | 175.6 | 179.6 | -97.5 | 0 | 0 | 0 | 111.9 | F214 L215 H221 T222 | F214-Y218 WeakPolarHBondContact O-CB 3.1Å; F214-Y218 PolarHBondContact O-N 2.92Å; L215-Y218 PolarHBondContact O-N 3.12Å; Y218-H221 PolarHBondContact O-N 2.76Å; Y218-T222 HydrophobicContact CE1-CG2 4.07Å; Y218-T222 HydrophobicContact CE2-CG2 4.38Å; Y218-T222 PolarHBondContact O-N 2.89Å; Y218-T222 VanDerWaalsContact O-N 3.08Å; Y218-T222 PolarHBondContact O-OG1 3.33Å |
| 219 | W | 70.2 | Confident | 68.1 | Low | 145 Ų | 145 | 103.3 Ų | 103.3 | 55% | 0.549 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72 | -31.3 | 179.2 | -148.8 | 77.1 | 0 | 0 | 0 | 113.1 | L215 L216 N217 T222 R223 | L215-W219 VanDerWaalsContact O-CB 3.29Å; L215-W219 WeakPolarHBondContact O-CB 3.42Å; L215-W219 PolarHBondContact O-N 2.92Å; L216-W219 PolarHBondContact O-N 3.4Å; N217-W219 VanDerWaalsContact C-N 3.31Å; N217-W219 PolarHBondContact O-N 3.29Å; W219-T222 WeakPolarHBondContact CA-OG1 3.42Å; W219-T222 PolarHBondContact O-OG1 3.47Å; W219-R223 VanDerWaalsContact CH2-NE 3.35Å; W219-R223 VanDerWaalsContact CZ3-NE 3.33Å; W219-R223 PolarHBondContact O-N 2.89Å |
| 220 | A | 72.3 | Confident | 67 | Low | 59 Ų | 59 | 103.7 Ų | 103.7 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.4 | -40.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L216 N217 A224 | L216-A220 WeakPolarHBondContact O-CB 3.43Å; L216-A220 PolarHBondContact O-N 2.9Å; N217-A220 PolarHBondContact O-N 3.06Å; A220-A224 PolarHBondContact O-N 3.25Å |
| 221 | H | 70.5 | Confident | 65.6 | Low | 133 Ų | 133 | 106.8 Ų | 106.8 | 62% | 0.616 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.4 | -47.4 | 178.3 | -114.1 | -77.8 | 0 | 0 | 0 | 112.6 | N217 Y218 R223 A224 E225 | N217-H221 PolarHBondContact O-N 3.41Å; Y218-H221 PolarHBondContact O-N 2.76Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 3.44Å; H221-A224 WeakPolarHBondContact O-CB 3.49Å; H221-A224 PolarHBondContact O-N 3.45Å; H221-E225 PolarHBondContact O-N 2.99Å |
| 222 | T | 66.3 | Low | 64.5 | Low | 42 Ų | 42 | 109.4 Ų | 109.4 | 26% | 0.258 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -34.4 | 179 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | Y218 W219 D226 | Y218-T222 HydrophobicContact CE1-CG2 4.07Å; Y218-T222 HydrophobicContact CE2-CG2 4.38Å; Y218-T222 PolarHBondContact O-N 2.89Å; Y218-T222 VanDerWaalsContact O-N 3.08Å; Y218-T222 PolarHBondContact O-OG1 3.33Å; W219-T222 WeakPolarHBondContact CA-OG1 3.42Å; W219-T222 PolarHBondContact O-OG1 3.47Å; T222-D226 PolarHBondContact O-N 3.44Å |
| 223 | R | 62.2 | Low | 63.2 | Low | 143 Ų | 143 | 110.2 Ų | 110.2 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.5 | -29.4 | 172.7 | -88.9 | -171.9 | 165.2 | -172.4 | -2.3 | 114.3 | W219 H221 Q227 | W219-R223 VanDerWaalsContact CH2-NE 3.35Å; W219-R223 VanDerWaalsContact CZ3-NE 3.33Å; W219-R223 PolarHBondContact O-N 2.89Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 3.44Å; R223-Q227 WeakPolarHBondContact O-CG 3.39Å; R223-Q227 PolarHBondContact O-N 3.27Å |
| 224 | A | 60.5 | Low | 61.7 | Low | 52 Ų | 52 | 117.5 Ų | 117.5 | 43% | 0.43 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.1 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A220 H221 Q227 M228 | A220-A224 PolarHBondContact O-N 3.25Å; H221-A224 WeakPolarHBondContact O-CB 3.49Å; H221-A224 PolarHBondContact O-N 3.45Å; A224-Q227 PolarHBondContact O-N 3.23Å; A224-M228 PolarHBondContact O-N 3.06Å |
| 225 | E | 60.7 | Low | 59.9 | Low | 125 Ų | 125 | 118.4 Ų | 118.4 | 58% | 0.584 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.9 | -44.5 | 175 | -71.6 | -178.6 | 166.9 | 0 | 0 | 112.2 | H221 Q227 M228 V229 | H221-E225 PolarHBondContact O-N 2.99Å; E225-Q227 PolarHBondContact O-N 2.99Å; E225-M228 PolarHBondContact O-N 3.22Å; E225-M228 VanDerWaalsContact O-N 3.17Å; E225-V229 WeakPolarHBondContact O-CG2 3.21Å; E225-V229 PolarHBondContact O-N 3.45Å |
| 226 | D | 52.7 | Low | 57.9 | Low | 123 Ų | 123 | 118.9 Ų | 118.9 | 66% | 0.658 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.1 | -32.3 | 175.2 | -83.5 | -16.9 | 0 | 0 | 0 | 112.5 | T222 S230 | T222-D226 PolarHBondContact O-N 3.44Å; D226-S230 PolarHBondContact O-N 3.38Å |
| 227 | Q | 52.7 | Low | 55.9 | Low | 130 Ų | 130 | 116.2 Ų | 116.2 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.9 | -37.3 | 176.2 | -74.3 | -174.5 | 3.9 | 0 | 0 | 112.8 | R223 A224 E225 S230 L231 | R223-Q227 WeakPolarHBondContact O-CG 3.39Å; R223-Q227 PolarHBondContact O-N 3.27Å; A224-Q227 PolarHBondContact O-N 3.23Å; E225-Q227 PolarHBondContact O-N 2.99Å; Q227-S230 PolarHBondContact O-N 3.16Å; Q227-S230 PolarHBondContact O-OG 3.48Å; Q227-L231 PolarHBondContact O-N 3.24Å |
| 228 | M | 46.2 | Very low | 54 | Low | 150 Ų | 150 | 117.1 Ų | 117.1 | 74% | 0.739 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.5 | -38.3 | 175.8 | -82.7 | -157.2 | 163.5 | 0 | 0 | 112.7 | A224 E225 S230 L231 A232 | A224-M228 PolarHBondContact O-N 3.06Å; E225-M228 PolarHBondContact O-N 3.22Å; E225-M228 VanDerWaalsContact O-N 3.17Å; M228-S230 VanDerWaalsContact C-N 3.26Å; M228-S230 PolarHBondContact O-N 2.99Å; M228-L231 PolarHBondContact O-N 3.43Å; M228-A232 PolarHBondContact O-N 2.86Å; M228-A232 VanDerWaalsContact O-N 3.13Å |
| 229 | V | 53 | Low | 52.4 | Low | 114 Ų | 114 | 117.7 Ų | 117.7 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.7 | -30.4 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | E225 | E225-V229 WeakPolarHBondContact O-CG2 3.21Å; E225-V229 PolarHBondContact O-N 3.45Å |
| 230 | S | 51.9 | Low | 50.8 | Low | 84 Ų | 84 | 116.4 Ų | 116.4 | 59% | 0.587 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76.7 | -23.1 | 176 | 86.2 | 0 | 0 | 0 | 0 | 114.5 | D226 Q227 M228 | D226-S230 PolarHBondContact O-N 3.38Å; Q227-S230 PolarHBondContact O-N 3.16Å; Q227-S230 PolarHBondContact O-OG 3.48Å; M228-S230 VanDerWaalsContact C-N 3.26Å; M228-S230 PolarHBondContact O-N 2.99Å |
| 231 | L | 49.9 | Very low | 49 | Very low | 136 Ų | 136 | 122 Ų | 122 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -92.3 | -23.6 | -178.8 | -82.2 | 159.7 | 0 | 0 | 0 | 113.1 | Q227 M228 G233 | Q227-L231 PolarHBondContact O-N 3.24Å; M228-L231 PolarHBondContact O-N 3.43Å; L231-G233 PolarHBondContact O-N 2.85Å |
| 232 | A | 51.5 | Low | 47.3 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 74% | 0.744 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -9.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M228 R234 | M228-A232 PolarHBondContact O-N 2.86Å; M228-A232 VanDerWaalsContact O-N 3.13Å; A232-R234 PolarHBondContact O-N 2.75Å |
| 233 | G | 47.3 | Very low | 45.7 | Very low | 63 Ų | 63 | 126.2 Ų | 126.2 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 15 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L231 | L231-G233 PolarHBondContact O-N 2.85Š|
| 234 | R | 45.9 | Very low | 44.2 | Very low | 220 Ų | 220 | 128.6 Ų | 128.6 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -124.9 | 91.4 | 179.4 | -73.7 | -172.5 | -175.7 | -175.5 | 2.3 | 112.9 | A232 | A232-R234 PolarHBondContact O-N 2.75Š|
| 235 | N | 38.9 | Very low | 42.9 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | 24 | 103.9 | 146.5 | -67.7 | -12.4 | 0 | 0 | 0 | 118.7 | ||||
| 236 | C | 38.2 | Very low | 41.4 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 89% | 0.892 | 77% | 0.769 | S | S | * | * | trans | -124.9 | 113.7 | 144.4 | -61.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 237 | G | 34.7 | Very low | 40.4 | Very low | 66 Ų | 66 | 132.5 Ų | 132.5 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | -79.6 | 159.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 238 | C | 34.7 | Very low | 39.4 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | 78.8 | 105.3 | 159.2 | -46.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 239 | L | 40 | Very low | 38.6 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | -164.8 | 144.8 | 124.3 | -96.1 | 166.3 | 0 | 0 | 0 | 109.2 | |||||
| 240 | P | 37.3 | Very low | 37.8 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -92.3 | 161.8 | -165.1 | 34.3 | -27.6 | 0 | 0 | 0 | 114.2 | ||||
| 241 | E | 33.7 | Very low | 36.9 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -51.4 | 140.3 | 174.6 | -65.1 | 168.4 | 134.9 | 0 | 0 | 112.9 | ||||
| 242 | D | 34.4 | Very low | 36.5 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | 144.6 | 95.2 | 138.3 | -71.4 | -22.3 | 0 | 0 | 0 | 112.4 | ||||
| 243 | A | 33.6 | Very low | 35.7 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -166 | 94 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 244 | Q | 29.7 | Very low | 35.6 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -76.1 | 132.9 | 161.9 | -67.8 | -179.9 | -0.5 | 0 | 0 | 109.4 | ||||
| 245 | V | 32.8 | Very low | 35.2 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -137.6 | 111.8 | 151.8 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | I247 | V245-I247 HydrophobicContact CG1-CD1 4.21Š| ||
| 246 | A | 29.2 | Very low | 35.4 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -76 | 146.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 247 | I | 32.2 | Very low | 35.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -149.4 | 139.2 | 146.8 | -83.8 | 125.1 | 0 | 0 | 0 | 108.9 | V245 | V245-I247 HydrophobicContact CG1-CD1 4.21Š| ||
| 248 | S | 32.7 | Very low | 35.2 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -62.7 | 156.2 | -163.9 | -59.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 249 | V | 28.6 | Very low | 35 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 82% | 0.821 | S | S | * | * | trans | -81.4 | 132.4 | 162.8 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 250 | E | 37 | Very low | 34.5 | Very low | 195 Ų | 195 | 134.8 Ų | 134.8 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -108.7 | 128.2 | 156.6 | -86.2 | -166.9 | 162.3 | 0 | 0 | 110.4 | ||||
| 251 | N | 32.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -74.3 | 128.3 | 177.4 | -71.9 | -45.7 | 0 | 0 | 0 | 110.5 | ||||
| 252 | G | 40.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -132 | 94.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 253 | S | 34.5 | Very low | 33.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -63.4 | 139.2 | 177.2 | 53 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 254 | G | 45.3 | Very low | 33.6 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 170.4 | 85.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 255 | V | 37.8 | Very low | 33.9 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -83 | 139.6 | 168.6 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 256 | P | 43.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -133 | 141.9 | 136 | 29.3 | -12.8 | 0 | 0 | 0 | 114.3 | ||||
| 257 | H | 35.5 | Very low | 34.3 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -40.8 | 140.2 | 175.1 | -76.3 | -83.4 | 0 | 0 | 0 | 117.2 | ||||
| 258 | I | 32.7 | Very low | 34.5 | Very low | 162 Ų | 162 | 137 Ų | 137 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -138.3 | 139.6 | 157.9 | -63.5 | -174.3 | 0 | 0 | 0 | 108.4 | ||||
| 259 | P | 31.5 | Very low | 34.7 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | trans | -84.7 | 152.9 | -150.4 | 33.3 | -33.8 | 0 | 0 | 0 | 114.2 | I261 | P259-I261 PolarHBondContact O-N 3.25Š| ||
| 260 | S | 28.2 | Very low | 35.1 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -67.4 | 120.5 | 173.4 | 74.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 261 | I | 30.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 128 Ų | 128 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -98 | 111 | 163.8 | -60.9 | 175.8 | 0 | 0 | 0 | 106.8 | P259 V263 | P259-I261 PolarHBondContact O-N 3.25Å; I261-V263 HydrophobicContact CG2-CG2 3.89Å | ||
| 262 | R | 27.7 | Very low | 35.5 | Very low | 229 Ų | 229 | 125.8 Ų | 125.8 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -78.7 | 126 | 164.2 | -83.2 | -174.2 | 178.5 | -178.3 | -0.3 | 108.2 | ||||
| 263 | V | 31.1 | Very low | 35.2 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 53% | 0.533 | 74% | 0.737 | S | S | . | * | trans | -116.5 | 108.4 | 166 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | I261 F265 | I261-V263 HydrophobicContact CG2-CG2 3.89Å; V263-F265 HydrophobicContact CB-CE2 3.94Å; V263-F265 HydrophobicContact CB-CZ 4.17Å; V263-F265 HydrophobicContact CG1-CD1 4.37Å; V263-F265 HydrophobicContact CG1-CD2 4.15Å; V263-F265 HydrophobicContact CG1-CE1 3.84Å; V263-F265 HydrophobicContact CG1-CE2 3.6Å; V263-F265 HydrophobicContact CG1-CZ 3.42Å; V263-F265 VanDerWaalsContact CG1-CZ 3.42Å | ||
| 264 | D | 30.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | -77.4 | 121.9 | 169.5 | -84.9 | -40.1 | 0 | 0 | 0 | 108.9 | ||||
| 265 | F | 38 | Very low | 34.9 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 69% | 0.689 | 71% | 0.711 | S | S | * | * | trans | -103.7 | 96.9 | 173 | -68.3 | -76.8 | 0 | 0 | 0 | 109.8 | V263 E267 A270 | V263-F265 HydrophobicContact CB-CE2 3.94Å; V263-F265 HydrophobicContact CB-CZ 4.17Å; V263-F265 HydrophobicContact CG1-CD1 4.37Å; V263-F265 HydrophobicContact CG1-CD2 4.15Å; V263-F265 HydrophobicContact CG1-CE1 3.84Å; V263-F265 HydrophobicContact CG1-CE2 3.6Å; V263-F265 HydrophobicContact CG1-CZ 3.42Å; V263-F265 VanDerWaalsContact CG1-CZ 3.42Å; F265-E267 PolarHBondContact O-N 3.34Å; F265-A270 HydrophobicContact CD1-CB 4.46Å | ||
| 266 | T | 31.9 | Very low | 34.8 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | -92.1 | 63 | 170 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 267 | E | 37.3 | Very low | 34.6 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -168.6 | 140.4 | 164.4 | -110.6 | 169.7 | -142.2 | 0 | 0 | 113 | F265 C269 | F265-E267 PolarHBondContact O-N 3.34Å; E267-C269 VanDerWaalsContact C-N 3.31Å; E267-C269 PolarHBondContact O-N 3.27Å |
| 268 | P | 36.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 18.1 | -157.6 | 33.6 | -35.3 | 0 | 0 | 0 | 116.1 | ||
| 269 | C | 36.8 | Very low | 34.6 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -1.2 | -172.7 | -63.1 | 0 | 0 | 0 | 0 | 115 | E267 P271 | E267-C269 VanDerWaalsContact C-N 3.31Å; E267-C269 PolarHBondContact O-N 3.27Å; C269-P271 VanDerWaalsContact C-CD 3.46Å |
| 270 | A | 37.2 | Very low | 34.9 | Very low | 40 Ų | 40 | 127 Ų | 127 | 33% | 0.331 | 71% | 0.707 | S | S | . | * | trans | -84.6 | -15.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | F265 V272 | F265-A270 HydrophobicContact CD1-CB 4.46Å; A270-V272 VanDerWaalsContact C-N 3.34Å; A270-V272 PolarHBondContact O-N 2.9Å | ||
| 271 | P | 40.1 | Very low | 35.4 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 58% | 0.578 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -69.7 | -25.2 | -171.5 | -14.4 | 24.1 | 0 | 0 | 0 | 115.1 | C269 | C269-P271 VanDerWaalsContact C-CD 3.46Å |
| 272 | V | 38.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -82.1 | -26.2 | -172.5 | -177 | 0 | 0 | 0 | 0 | 112.2 | A270 | A270-V272 VanDerWaalsContact C-N 3.34Å; A270-V272 PolarHBondContact O-N 2.9Å |
| 273 | L | 34.4 | Very low | 36.2 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -85.4 | -31.1 | 178.2 | -132.6 | 85.5 | 0 | 0 | 0 | 112.2 | F276 M277 | L273-F276 PolarHBondContact O-N 3.49Å; L273-M277 WeakPolarHBondContact O-CG 3.26Å; L273-M277 PolarHBondContact O-N 3.27Å |
| 274 | A | 34.7 | Very low | 36.5 | Very low | 46 Ų | 46 | 130 Ų | 130 | 38% | 0.38 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -70.3 | -33.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F276 M277 L278 | A274-F276 VanDerWaalsContact C-N 3.28Å; A274-F276 PolarHBondContact O-N 2.81Å; A274-M277 PolarHBondContact O-N 3.49Å; A274-L278 WeakPolarHBondContact O-CG 2.98Å; A274-L278 PolarHBondContact O-N 3.07Å; A274-L278 VanDerWaalsContact O-N 3.13Å |
| 275 | L | 39.3 | Very low | 36.9 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72 | -18.3 | 173.9 | -86.2 | 160.4 | 0 | 0 | 0 | 113.8 | ||
| 276 | F | 35 | Very low | 36.8 | Very low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -93.1 | -18 | 177.9 | -130.1 | -88.8 | 0 | 0 | 0 | 113 | L273 A274 | L273-F276 PolarHBondContact O-N 3.49Å; A274-F276 VanDerWaalsContact C-N 3.28Å; A274-F276 PolarHBondContact O-N 2.81Å |
| 277 | M | 39.1 | Very low | 37 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -105.6 | -19.6 | -175.8 | -72.6 | -87 | -69.8 | 0 | 0 | 113.3 | L273 A274 G279 | L273-M277 WeakPolarHBondContact O-CG 3.26Å; L273-M277 PolarHBondContact O-N 3.27Å; A274-M277 PolarHBondContact O-N 3.49Å; M277-G279 PolarHBondContact O-N 2.74Å; M277-G279 VanDerWaalsContact O-N 3.16Å |
| 278 | L | 38.4 | Very low | 36.8 | Very low | 134 Ų | 134 | 130 Ų | 130 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -83.9 | 86 | 168.5 | -68.4 | 171.3 | 0 | 0 | 0 | 108.3 | A274 V280 | A274-L278 WeakPolarHBondContact O-CG 2.98Å; A274-L278 PolarHBondContact O-N 3.07Å; A274-L278 VanDerWaalsContact O-N 3.13Å; L278-V280 PolarHBondContact O-N 3.39Å; L278-V280 VanDerWaalsContact O-N 3.08Å |
| 279 | G | 31.1 | Very low | 36.8 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | -49.7 | 114.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | M277 E281 | M277-G279 PolarHBondContact O-N 2.74Å; M277-G279 VanDerWaalsContact O-N 3.16Å; G279-E281 VanDerWaalsContact C-N 3.26Å; G279-E281 PolarHBondContact O-N 2.93Å | ||
| 280 | V | 37.1 | Very low | 37 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | trans | -67.1 | 95.2 | 165.6 | 178.1 | 0 | 0 | 0 | 0 | 105.6 | L278 E282 | L278-V280 PolarHBondContact O-N 3.39Å; L278-V280 VanDerWaalsContact O-N 3.08Å; V280-E282 PolarHBondContact O-N 2.69Å | ||
| 281 | E | 39.2 | Very low | 37.2 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | -52.6 | 126.4 | 161.4 | -81.5 | -177.8 | 149.8 | 0 | 0 | 107.9 | G279 N283 | G279-E281 VanDerWaalsContact C-N 3.26Å; G279-E281 PolarHBondContact O-N 2.93Å; E281-N283 VanDerWaalsContact C-N 3.33Å; E281-N283 PolarHBondContact O-N 3.24Å | ||
| 282 | E | 36.9 | Very low | 37.3 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -57.7 | 92.1 | 173 | -72.8 | -175.3 | 158.3 | 0 | 0 | 110 | V280 K284 | V280-E282 PolarHBondContact O-N 2.69Å; E282-K284 VanDerWaalsContact C-N 3.28Å; E282-K284 PolarHBondContact O-N 2.99Å; E282-K284 VanDerWaalsContact O-N 3.09Å; E282-K284 WeakPolarHBondContact OE2-CE 3.46Å; E282-K284 IonicContact OE2-NZ 3.91Å; E282-K284 PolarHBondContact OE2-NZ 3.03Å; E282-K284 VanDerWaalsContact OE2-NZ 3.08Å | ||
| 283 | N | 37.2 | Very low | 37.6 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -79.6 | 87.2 | 160.5 | -117.7 | -22.2 | 0 | 0 | 0 | 108.1 | E281 D285 | E281-N283 VanDerWaalsContact C-N 3.33Å; E281-N283 PolarHBondContact O-N 3.24Å; N283-D285 VanDerWaalsContact C-N 3.28Å; N283-D285 PolarHBondContact O-N 3.48Å | ||
| 284 | K | 37 | Very low | 38.5 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -66.3 | 86.6 | 165.5 | -70 | 172 | -179.9 | 157.3 | 0 | 107.9 | E282 | E282-K284 VanDerWaalsContact C-N 3.28Å; E282-K284 PolarHBondContact O-N 2.99Å; E282-K284 VanDerWaalsContact O-N 3.09Å; E282-K284 WeakPolarHBondContact OE2-CE 3.46Å; E282-K284 IonicContact OE2-NZ 3.91Å; E282-K284 PolarHBondContact OE2-NZ 3.03Å; E282-K284 VanDerWaalsContact OE2-NZ 3.08Å | ||
| 285 | D | 39 | Very low | 39.5 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 175.9 | 60.7 | 157.4 | -89 | -21.5 | 0 | 0 | 0 | 112.1 | N283 | N283-D285 VanDerWaalsContact C-N 3.28Å; N283-D285 PolarHBondContact O-N 3.48Å | ||
| 286 | Y | 37.1 | Very low | 40.4 | Very low | 218 Ų | 218 | 152.9 Ų | 152.9 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -130.2 | 77.2 | 161.4 | -84.4 | -82.2 | 0 | 0 | 0 | 109.9 | C288 | Y286-C288 PolarHBondContact O-N 3.23Š| ||
| 287 | S | 34.7 | Very low | 41.8 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 110.6 | 156.8 | 73.3 | 0 | 0 | 0 | 0 | 107.7 | R289 | S287-R289 PolarHBondContact O-N 3.01Š| ||
| 288 | C | 33.9 | Very low | 43.7 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -63.5 | 88.7 | 161.8 | -85.1 | 0 | 0 | 0 | 0 | 108.6 | Y286 L290 | Y286-C288 PolarHBondContact O-N 3.23Å; C288-L290 PolarHBondContact O-N 3.4Å | ||
| 289 | R | 36.2 | Very low | 45.2 | Very low | 227 Ų | 227 | 148.8 Ų | 148.8 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -66.5 | 109.5 | 153.7 | -75.4 | -175.4 | -174.9 | -176.6 | 1.5 | 106 | S287 A291 | S287-R289 PolarHBondContact O-N 3.01Å; R289-A291 PolarHBondContact O-N 2.89Å | ||
| 290 | L | 41.3 | Very low | 47.3 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | -50 | 110.5 | 160.5 | -76 | 157.5 | 0 | 0 | 0 | 107.2 | C288 | C288-L290 PolarHBondContact O-N 3.4Š| ||
| 291 | A | 41.8 | Very low | 49.1 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | trans | -62.8 | 125.6 | 168 | 0 | 0 | 0 | 0 | 0 | 107.2 | R289 N293 | R289-A291 PolarHBondContact O-N 2.89Å; A291-N293 VanDerWaalsContact C-N 3.31Å; A291-N293 PolarHBondContact O-N 3.02Å; A291-N293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | P | 40.8 | Very low | 50.7 | Low | 117 Ų | 117 | 147.8 Ų | 147.8 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -81.2 | 88.7 | 169.5 | 31.9 | -24.5 | 0 | 0 | 0 | 105.3 | ||
| 293 | N | 46.5 | Very low | 52.7 | Low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -176.6 | 133.4 | 158.2 | -85.2 | -26.2 | 0 | 0 | 0 | 109.1 | A291 E295 | A291-N293 VanDerWaalsContact C-N 3.31Å; A291-N293 PolarHBondContact O-N 3.02Å; A291-N293 VanDerWaalsContact O-N 3.11Å; N293-E295 PolarHBondContact O-N 3.37Å |
| 294 | D | 51.7 | Low | 54.4 | Low | 176 Ų | 176 | 145.8 Ų | 145.8 | 94% | 0.941 | 74% | 0.735 | S | S | * | * | trans | -63.4 | 64.1 | -179.4 | -68.5 | -47.9 | 0 | 0 | 0 | 113.5 | ||||
| 295 | E | 56.2 | Low | 56.5 | Low | 179 Ų | 179 | 146.1 Ų | 146.1 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -87.4 | 111.5 | 165.9 | -78.7 | -167.2 | 155.7 | 0 | 0 | 109.8 | N293 V297 | N293-E295 PolarHBondContact O-N 3.37Å; E295-V297 PolarHBondContact O-N 3.2Å | ||
| 296 | E | 58.1 | Low | 58.5 | Low | 188 Ų | 188 | 142.1 Ų | 142.1 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | trans | -49.5 | 113.7 | 172.8 | -76.8 | -175.9 | 145.7 | 0 | 0 | 110.3 | R298 | E296-R298 PolarHBondContact O-N 2.95Š| ||
| 297 | V | 64.4 | Low | 60.5 | Low | 98 Ų | 98 | 134.6 Ų | 134.6 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | trans | -51.3 | 115 | 166.5 | 176.8 | 0 | 0 | 0 | 0 | 107.4 | E295 V299 E301 | E295-V297 PolarHBondContact O-N 3.2Å; V297-V299 PolarHBondContact O-N 3.44Å; V297-E301 HydrophobicContact CG1-CB 3.93Å | ||
| 298 | R | 78.4 | Confident | 62.4 | Low | 191 Ų | 191 | 132.6 Ų | 132.6 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | trans | -55.9 | 137 | -178.8 | -72.3 | -178.1 | 173.6 | 175.1 | 0 | 108.7 | E296 S300 E301 R302 | E296-R298 PolarHBondContact O-N 2.95Å; R298-S300 PolarHBondContact O-N 3.25Å; R298-E301 PolarHBondContact O-N 3.39Å; R298-R302 PolarHBondContact O-N 2.88Å | ||
| 299 | V | 70.9 | Confident | 64.4 | Low | 110 Ų | 110 | 133.1 Ų | 133.1 | 67% | 0.667 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -48.8 | -32.9 | -179.9 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | V297 E301 R302 E303 | V297-V299 PolarHBondContact O-N 3.44Å; V299-E301 PolarHBondContact O-N 3.43Å; V299-R302 PolarHBondContact O-N 3.2Å; V299-E303 PolarHBondContact O-N 3.33Å |
| 300 | S | 75.1 | Confident | 66.5 | Low | 76 Ų | 76 | 125.9 Ų | 125.9 | 53% | 0.531 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.4 | -32.4 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | R298 H304 | R298-S300 PolarHBondContact O-N 3.25Å; S300-H304 PolarHBondContact O-N 3.4Å |
| 301 | E | 74.6 | Confident | 68.1 | Low | 104 Ų | 104 | 122.8 Ų | 122.8 | 49% | 0.486 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -78 | -33.8 | 177.9 | -68.3 | 179.3 | 162.2 | 0 | 0 | 111 | V297 R298 V299 E303 H304 W305 | V297-E301 HydrophobicContact CG1-CB 3.93Å; R298-E301 PolarHBondContact O-N 3.39Å; V299-E301 PolarHBondContact O-N 3.43Å; E301-E303 PolarHBondContact O-N 2.93Å; E301-H304 WeakPolarHBondContact O-CB 3.31Å; E301-H304 PolarHBondContact O-N 3.19Å; E301-W305 PolarHBondContact O-N 3.14Å; E301-W305 VanDerWaalsContact O-N 3.07Å |
| 302 | R | 72.4 | Confident | 69.5 | Low | 186 Ų | 186 | 123.4 Ų | 123.4 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.1 | -40 | 175.7 | -163.6 | 176.7 | -169.6 | 177.7 | 4.6 | 112.2 | R298 V299 H304 W305 C306 | R298-R302 PolarHBondContact O-N 2.88Å; V299-R302 PolarHBondContact O-N 3.2Å; R302-H304 VanDerWaalsContact C-N 3.33Å; R302-W305 PolarHBondContact O-N 2.92Å; R302-C306 PolarHBondContact O-N 3.37Å; R302-C306 PolarHBondContact O-SG 3.05Å |
| 303 | E | 79.5 | Confident | 71.2 | Confident | 135 Ų | 135 | 121 Ų | 121 | 63% | 0.631 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -38 | 175.1 | -71.1 | -177.6 | 168.1 | 0 | 0 | 112.1 | V299 E301 C306 A307 | V299-E303 PolarHBondContact O-N 3.33Å; E301-E303 PolarHBondContact O-N 2.93Å; E303-C306 PolarHBondContact O-N 2.78Å; E303-A307 PolarHBondContact O-N 3.34Å |
| 304 | H | 73.6 | Confident | 72.6 | Confident | 124 Ų | 124 | 119.3 Ų | 119.3 | 57% | 0.574 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.4 | -46.9 | 175.8 | -170.6 | 74 | 0 | 0 | 0 | 111.7 | S300 E301 R302 C306 A307 V308 | S300-H304 PolarHBondContact O-N 3.4Å; E301-H304 WeakPolarHBondContact O-CB 3.31Å; E301-H304 PolarHBondContact O-N 3.19Å; R302-H304 VanDerWaalsContact C-N 3.33Å; H304-C306 PolarHBondContact O-N 2.88Å; H304-A307 WeakPolarHBondContact O-CB 3.47Å; H304-A307 PolarHBondContact O-N 3.46Å; H304-V308 WeakPolarHBondContact O-CG2 3.33Å; H304-V308 PolarHBondContact O-N 3.23Å |
| 305 | W | 81.1 | Confident | 73.2 | Confident | 165 Ų | 165 | 114.1 Ų | 114.1 | 63% | 0.625 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | 177.7 | -73.6 | 112.8 | 0 | 0 | 0 | 113 | E301 R302 A307 V308 E309 | E301-W305 PolarHBondContact O-N 3.14Å; E301-W305 VanDerWaalsContact O-N 3.07Å; R302-W305 PolarHBondContact O-N 2.92Å; W305-A307 VanDerWaalsContact C-N 3.29Å; W305-A307 PolarHBondContact O-N 3.26Å; W305-V308 PolarHBondContact O-N 2.92Å; W305-E309 PolarHBondContact O-N 3.21Å |
| 306 | C | 79.9 | Confident | 74 | Confident | 64 Ų | 64 | 107 Ų | 107 | 43% | 0.432 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 173.5 | -74.3 | 0 | 0 | 0 | 0 | 112.6 | R302 E303 H304 T310 | R302-C306 PolarHBondContact O-N 3.37Å; R302-C306 PolarHBondContact O-SG 3.05Å; E303-C306 PolarHBondContact O-N 2.78Å; H304-C306 PolarHBondContact O-N 2.88Å; C306-T310 WeakPolarHBondContact O-CB 3.27Å; C306-T310 PolarHBondContact O-N 3.48Å; C306-T310 VanDerWaalsContact O-N 3.08Å; C306-T310 PolarHBondContact O-OG1 3.37Å |
| 307 | A | 79.8 | Confident | 74.7 | Confident | 61 Ų | 61 | 105 Ų | 105 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E303 H304 W305 T310 L311 | E303-A307 PolarHBondContact O-N 3.34Å; H304-A307 WeakPolarHBondContact O-CB 3.47Å; H304-A307 PolarHBondContact O-N 3.46Å; W305-A307 VanDerWaalsContact C-N 3.29Å; W305-A307 PolarHBondContact O-N 3.26Å; A307-T310 PolarHBondContact O-N 2.86Å; A307-L311 PolarHBondContact O-N 3.49Å |
| 308 | V | 74.4 | Confident | 74.4 | Confident | 56 Ų | 56 | 105 Ų | 105 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | H304 W305 T310 L311 V312 | H304-V308 WeakPolarHBondContact O-CG2 3.33Å; H304-V308 PolarHBondContact O-N 3.23Å; W305-V308 PolarHBondContact O-N 2.92Å; V308-T310 VanDerWaalsContact C-N 3.3Å; V308-T310 PolarHBondContact O-N 3.23Å; V308-L311 WeakPolarHBondContact O-CB 3.49Å; V308-L311 PolarHBondContact O-N 3.35Å; V308-L311 VanDerWaalsContact O-N 3.14Å; V308-V312 HydrophobicContact CG1-CG2 4.4Å; V308-V312 WeakPolarHBondContact O-CG2 3.41Å; V308-V312 PolarHBondContact O-N 3.29Å |
| 309 | E | 75.1 | Confident | 73 | Confident | 140 Ų | 140 | 99.9 Ų | 99.9 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.5 | -41 | 176.7 | -75.8 | -171.7 | 161.3 | 0 | 0 | 112.2 | W305 L311 V312 D313 | W305-E309 PolarHBondContact O-N 3.21Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 2.76Å; E309-V312 PolarHBondContact O-N 3.24Å; E309-D313 PolarHBondContact O-N 3.46Å |
| 310 | T | 80.7 | Confident | 72.5 | Confident | 75 Ų | 75 | 102 Ų | 102 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.5 | -60 | 0 | 0 | 0 | 0 | 111.4 | C306 A307 V308 Q314 | C306-T310 WeakPolarHBondContact O-CB 3.27Å; C306-T310 PolarHBondContact O-N 3.48Å; C306-T310 VanDerWaalsContact O-N 3.08Å; C306-T310 PolarHBondContact O-OG1 3.37Å; A307-T310 PolarHBondContact O-N 2.86Å; V308-T310 VanDerWaalsContact C-N 3.3Å; V308-T310 PolarHBondContact O-N 3.23Å; T310-Q314 WeakPolarHBondContact O-CB 3.29Å; T310-Q314 VanDerWaalsContact O-CG 3.25Å; T310-Q314 WeakPolarHBondContact O-CG 3.27Å; T310-Q314 PolarHBondContact O-N 3.22Å |
| 311 | L | 74.4 | Confident | 71.8 | Confident | 104 Ų | 104 | 106.3 Ų | 106.3 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 177.5 | -161.6 | 91.1 | 0 | 0 | 0 | 111.5 | A307 V308 E309 D313 Q314 C315 | A307-L311 PolarHBondContact O-N 3.49Å; V308-L311 WeakPolarHBondContact O-CB 3.49Å; V308-L311 PolarHBondContact O-N 3.35Å; V308-L311 VanDerWaalsContact O-N 3.14Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 2.76Å; L311-D313 PolarHBondContact O-N 2.73Å; L311-Q314 PolarHBondContact O-N 3.46Å; L311-C315 WeakPolarHBondContact O-CB 3.31Å; L311-C315 PolarHBondContact O-N 3.35Å; L311-C315 PolarHBondContact O-SG 3.41Å |
| 312 | V | 72.9 | Confident | 70.6 | Confident | 97 Ų | 97 | 105 Ų | 105 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 111 | V308 E309 C315 G316 | V308-V312 HydrophobicContact CG1-CG2 4.4Å; V308-V312 WeakPolarHBondContact O-CG2 3.41Å; V308-V312 PolarHBondContact O-N 3.29Å; E309-V312 PolarHBondContact O-N 3.24Å; V312-C315 PolarHBondContact O-N 2.87Å; V312-G316 PolarHBondContact O-N 3.09Å |
| 313 | D | 74.9 | Confident | 69.7 | Low | 66 Ų | 66 | 99.3 Ų | 99.3 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 177.6 | 179.9 | 64 | 0 | 0 | 0 | 112.6 | E309 L311 G316 R317 R320 | E309-D313 PolarHBondContact O-N 3.46Å; L311-D313 PolarHBondContact O-N 2.73Å; D313-G316 PolarHBondContact O-N 3.37Å; D313-R317 WeakPolarHBondContact O-CG 3.18Å; D313-R317 PolarHBondContact O-N 2.95Å; D313-R317 IonicContact OD1-NE 3.08Å; D313-R317 IonicContact OD2-CZ 2.76Å; D313-R317 IonicContact OD2-NE 2.78Å; D313-R317 PolarHBondContact OD2-NE 3.44Å; D313-R317 IonicContact OD2-NH2 3.99Å; D313-R317 PolarHBondContact OD2-NH2 3.28Å; D313-R320 IonicContact OD1-NH2 3.45Å |
| 314 | Q | 76.4 | Confident | 68.4 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 172.8 | -75.3 | 178.9 | 15.8 | 0 | 0 | 112 | T310 L311 R317 L318 | T310-Q314 WeakPolarHBondContact O-CB 3.29Å; T310-Q314 VanDerWaalsContact O-CG 3.25Å; T310-Q314 WeakPolarHBondContact O-CG 3.27Å; T310-Q314 PolarHBondContact O-N 3.22Å; L311-Q314 PolarHBondContact O-N 3.46Å; Q314-R317 PolarHBondContact O-N 2.86Å; Q314-L318 PolarHBondContact O-N 3.02Å |
| 315 | C | 64 | Low | 67.7 | Low | 68 Ų | 68 | 102.6 Ų | 102.6 | 46% | 0.459 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 173.5 | -74.4 | 0 | 0 | 0 | 0 | 111.3 | L311 V312 R317 L318 T319 | L311-C315 WeakPolarHBondContact O-CB 3.31Å; L311-C315 PolarHBondContact O-N 3.35Å; L311-C315 PolarHBondContact O-SG 3.41Å; V312-C315 PolarHBondContact O-N 2.87Å; C315-R317 VanDerWaalsContact C-N 3.31Å; C315-R317 PolarHBondContact O-N 3.3Å; C315-L318 PolarHBondContact O-N 2.97Å; C315-L318 VanDerWaalsContact O-N 3.15Å; C315-T319 PolarHBondContact O-N 3.46Å; C315-T319 PolarHBondContact O-OG1 2.8Å; C315-T319 VanDerWaalsContact O-OG1 3.08Å |
| 316 | G | 73.7 | Confident | 66.2 | Low | 28 Ų | 28 | 98.4 Ų | 98.4 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -33.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V312 D313 R320 | V312-G316 PolarHBondContact O-N 3.09Å; D313-G316 PolarHBondContact O-N 3.37Å; G316-R320 WeakPolarHBondContact O-CB 3.33Å; G316-R320 VanDerWaalsContact O-CG 3.28Å; G316-R320 WeakPolarHBondContact O-CG 3.25Å; G316-R320 PolarHBondContact O-N 3.47Å; G316-R320 PolarHBondContact O-NE 3.27Å |
| 317 | R | 73.1 | Confident | 65 | Low | 147 Ų | 147 | 99.8 Ų | 99.8 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72 | -38.4 | 172.9 | -74.2 | -169.3 | -112.6 | -174.3 | 2.5 | 112.4 | D313 Q314 C315 R321 | D313-R317 WeakPolarHBondContact O-CG 3.18Å; D313-R317 PolarHBondContact O-N 2.95Å; D313-R317 IonicContact OD1-NE 3.08Å; D313-R317 IonicContact OD2-CZ 2.76Å; D313-R317 IonicContact OD2-NE 2.78Å; D313-R317 PolarHBondContact OD2-NE 3.44Å; D313-R317 IonicContact OD2-NH2 3.99Å; D313-R317 PolarHBondContact OD2-NH2 3.28Å; Q314-R317 PolarHBondContact O-N 2.86Å; C315-R317 VanDerWaalsContact C-N 3.31Å; C315-R317 PolarHBondContact O-N 3.3Å; R317-R321 PolarHBondContact O-N 2.68Å |
| 318 | L | 57.8 | Low | 63.7 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -48.8 | 177.4 | -176.5 | 64.1 | 0 | 0 | 0 | 111.3 | Q314 C315 R320 R321 I322 | Q314-L318 PolarHBondContact O-N 3.02Å; C315-L318 PolarHBondContact O-N 2.97Å; C315-L318 VanDerWaalsContact O-N 3.15Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.2Å; L318-R321 WeakPolarHBondContact O-CA 3.26Å; L318-R321 WeakPolarHBondContact O-CB 3.28Å; L318-R321 PolarHBondContact O-N 2.84Å; L318-I322 HydrophobicContact CD1-CD1 4.3Å; L318-I322 HydrophobicContact CG-CD1 3.93Å; L318-I322 WeakPolarHBondContact O-CG1 3.33Å; L318-I322 PolarHBondContact O-N 2.72Å |
| 319 | T | 49.8 | Very low | 62.5 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | C315 R321 I322 V323 | C315-T319 PolarHBondContact O-N 3.46Å; C315-T319 PolarHBondContact O-OG1 2.8Å; C315-T319 VanDerWaalsContact O-OG1 3.08Å; T319-R321 VanDerWaalsContact C-N 3.28Å; T319-R321 PolarHBondContact O-N 3.2Å; T319-I322 PolarHBondContact O-N 3.12Å; T319-V323 HydrophobicContact CG2-CG2 4.34Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.49Å; T319-V323 PolarHBondContact O-N 3.44Å |
| 320 | R | 58.7 | Low | 61.6 | Low | 155 Ų | 155 | 97.1 Ų | 97.1 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62 | -30.7 | 175 | -77.6 | -178.8 | -76.4 | -160.5 | 0.6 | 113.7 | D313 G316 L318 | D313-R320 IonicContact OD1-NH2 3.45Å; G316-R320 WeakPolarHBondContact O-CB 3.33Å; G316-R320 VanDerWaalsContact O-CG 3.28Å; G316-R320 WeakPolarHBondContact O-CG 3.25Å; G316-R320 PolarHBondContact O-N 3.47Å; G316-R320 PolarHBondContact O-NE 3.27Å; L318-R320 VanDerWaalsContact C-N 3.32Å; L318-R320 PolarHBondContact O-N 3.2Å |
| 321 | R | 60.7 | Low | 60.4 | Low | 166 Ų | 166 | 96.4 Ų | 96.4 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -75.2 | -43.1 | 174 | -76.1 | 178 | 170 | 179.2 | -2 | 111.6 | R317 L318 T319 R324 W325 | R317-R321 PolarHBondContact O-N 2.68Å; L318-R321 WeakPolarHBondContact O-CA 3.26Å; L318-R321 WeakPolarHBondContact O-CB 3.28Å; L318-R321 PolarHBondContact O-N 2.84Å; T319-R321 VanDerWaalsContact C-N 3.28Å; T319-R321 PolarHBondContact O-N 3.2Å; R321-R324 PolarHBondContact O-N 3.5Å; R321-W325 PolarHBondContact O-N 3.29Å; R321-W325 VanDerWaalsContact O-N 3.13Å |
| 322 | I | 49.4 | Very low | 59.7 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 179.3 | -66.2 | 170.7 | 0 | 0 | 0 | 110.9 | L318 T319 R324 W325 T326 | L318-I322 HydrophobicContact CD1-CD1 4.3Å; L318-I322 HydrophobicContact CG-CD1 3.93Å; L318-I322 WeakPolarHBondContact O-CG1 3.33Å; L318-I322 PolarHBondContact O-N 2.72Å; T319-I322 PolarHBondContact O-N 3.12Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 3.17Å; I322-W325 WeakPolarHBondContact O-CB 3.41Å; I322-W325 PolarHBondContact O-N 3.3Å; I322-T326 HydrophobicContact CG2-CG2 4.42Å; I322-T326 PolarHBondContact O-N 3.47Å; I322-T326 PolarHBondContact O-OG1 3.28Å |
| 323 | V | 53.9 | Low | 58.9 | Low | 66 Ų | 66 | 95 Ų | 95 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | T319 W325 T326 E327 | T319-V323 HydrophobicContact CG2-CG2 4.34Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.49Å; T319-V323 PolarHBondContact O-N 3.44Å; V323-W325 VanDerWaalsContact C-N 3.31Å; V323-W325 PolarHBondContact O-N 2.86Å; V323-T326 WeakPolarHBondContact CA-OG1 3.46Å; V323-T326 PolarHBondContact O-N 3.11Å; V323-T326 PolarHBondContact O-OG1 2.96Å; V323-E327 WeakPolarHBondContact O-CG 3.42Å; V323-E327 PolarHBondContact O-N 3.41Å; V323-E327 VanDerWaalsContact O-N 3.1Å |
| 324 | R | 52.2 | Low | 58.4 | Low | 177 Ų | 177 | 98 Ų | 98 | 67% | 0.668 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 175 | -78.8 | -177.5 | 168 | 179.2 | -1.9 | 112.7 | R321 I322 E328 | R321-R324 PolarHBondContact O-N 3.5Å; I322-R324 VanDerWaalsContact C-N 3.32Å; I322-R324 PolarHBondContact O-N 3.17Å; R324-E328 WeakPolarHBondContact O-CG 3.06Å; R324-E328 PolarHBondContact O-N 3.31Å; R324-E328 VanDerWaalsContact O-N 3.12Å |
| 325 | W | 58.5 | Low | 57.8 | Low | 150 Ų | 150 | 95.5 Ų | 95.5 | 57% | 0.568 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.7 | -36.5 | 179.4 | -67.7 | -14.7 | 0 | 0 | 0 | 112.8 | R321 I322 V323 A329 | R321-W325 PolarHBondContact O-N 3.29Å; R321-W325 VanDerWaalsContact O-N 3.13Å; I322-W325 WeakPolarHBondContact O-CB 3.41Å; I322-W325 PolarHBondContact O-N 3.3Å; V323-W325 VanDerWaalsContact C-N 3.31Å; V323-W325 PolarHBondContact O-N 2.86Å; W325-A329 VanDerWaalsContact O-CB 3.25Å; W325-A329 WeakPolarHBondContact O-CB 3.39Å; W325-A329 PolarHBondContact O-N 3.17Å |
| 326 | T | 49.8 | Very low | 57.9 | Low | 77 Ų | 77 | 96.2 Ų | 96.2 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 176.4 | 50 | 0 | 0 | 0 | 0 | 111.1 | I322 V323 A329 V330 | I322-T326 HydrophobicContact CG2-CG2 4.42Å; I322-T326 PolarHBondContact O-N 3.47Å; I322-T326 PolarHBondContact O-OG1 3.28Å; V323-T326 WeakPolarHBondContact CA-OG1 3.46Å; V323-T326 PolarHBondContact O-N 3.11Å; V323-T326 PolarHBondContact O-OG1 2.96Å; T326-A329 PolarHBondContact O-N 2.85Å; T326-V330 VanDerWaalsContact O-CG2 3.3Å; T326-V330 WeakPolarHBondContact O-CG2 3.32Å; T326-V330 PolarHBondContact O-N 2.86Å |
| 327 | E | 53.9 | Low | 57.3 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 176.2 | -72.1 | 171.2 | 178.1 | 0 | 0 | 112.7 | V323 A329 V330 M331 | V323-E327 WeakPolarHBondContact O-CG 3.42Å; V323-E327 PolarHBondContact O-N 3.41Å; V323-E327 VanDerWaalsContact O-N 3.1Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 3.33Å; E327-V330 PolarHBondContact O-N 3.49Å; E327-M331 PolarHBondContact O-N 3.3Å; E327-M331 VanDerWaalsContact O-N 3.09Å |
| 328 | E | 53.6 | Low | 56.8 | Low | 91 Ų | 91 | 97.6 Ų | 97.6 | 43% | 0.425 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.7 | -75.3 | -180 | -178.1 | 0 | 0 | 112.1 | R324 M331 C332 R376 | R324-E328 WeakPolarHBondContact O-CG 3.06Å; R324-E328 PolarHBondContact O-N 3.31Å; R324-E328 VanDerWaalsContact O-N 3.12Å; E328-M331 WeakPolarHBondContact O-CB 3.31Å; E328-M331 PolarHBondContact O-N 3.27Å; E328-C332 PolarHBondContact O-N 3.17Å; E328-C332 PolarHBondContact O-SG 3.18Å; E328-R376 IonicContact OE2-NH1 3.38Å; E328-R376 PolarHBondContact OE2-NH1 3.08Å |
| 329 | A | 49.1 | Very low | 57.3 | Low | 40 Ų | 40 | 95.6 Ų | 95.6 | 33% | 0.331 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W325 T326 E327 M331 C332 L333 | W325-A329 VanDerWaalsContact O-CB 3.25Å; W325-A329 WeakPolarHBondContact O-CB 3.39Å; W325-A329 PolarHBondContact O-N 3.17Å; T326-A329 PolarHBondContact O-N 2.85Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 3.33Å; A329-M331 VanDerWaalsContact C-N 3.32Å; A329-M331 PolarHBondContact O-N 3.13Å; A329-C332 PolarHBondContact O-N 3.37Å; A329-L333 WeakPolarHBondContact O-CB 3.19Å; A329-L333 PolarHBondContact O-N 3.44Å |
| 330 | V | 56.6 | Low | 57.9 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | T326 E327 L333 R334 | T326-V330 VanDerWaalsContact O-CG2 3.3Å; T326-V330 WeakPolarHBondContact O-CG2 3.32Å; T326-V330 PolarHBondContact O-N 2.86Å; E327-V330 PolarHBondContact O-N 3.49Å; V330-L333 PolarHBondContact O-N 3.03Å; V330-R334 WeakPolarHBondContact O-CG 3.45Å; V330-R334 PolarHBondContact O-N 3.37Å |
| 331 | M | 54.8 | Low | 57.8 | Low | 60 Ų | 60 | 90.5 Ų | 90.5 | 30% | 0.296 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 175.1 | -95.3 | -92.8 | -78.5 | 0 | 0 | 112.8 | E327 E328 A329 L333 R334 V335 A432 C435 | E327-M331 PolarHBondContact O-N 3.3Å; E327-M331 VanDerWaalsContact O-N 3.09Å; E328-M331 WeakPolarHBondContact O-CB 3.31Å; E328-M331 PolarHBondContact O-N 3.27Å; A329-M331 VanDerWaalsContact C-N 3.32Å; A329-M331 PolarHBondContact O-N 3.13Å; M331-L333 VanDerWaalsContact C-N 3.32Å; M331-L333 PolarHBondContact O-N 3.03Å; M331-R334 PolarHBondContact O-N 3.39Å; M331-V335 WeakPolarHBondContact O-CG2 3.12Å; M331-V335 PolarHBondContact O-N 3.2Å; M331-A432 VanDerWaalsContact CE-CA 3.47Å; M331-A432 HydrophobicContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-O 3.27Å; M331-A432 WeakPolarHBondContact CE-O 3.48Å; M331-A432 HydrophobicContact CG-CB 3.81Å; M331-A432 HydrophobicContact SD-CB 3.28Å; M331-A432 WeakPolarHBondContact SD-CB 3.32Å; M331-C435 HydrophobicContact CE-CB 4.35Å |
| 332 | C | 59.6 | Low | 57.4 | Low | 57 Ų | 57 | 87.9 Ų | 87.9 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 175.3 | -66.7 | 0 | 0 | 0 | 0 | 110.4 | E328 A329 R334 V335 F336 | E328-C332 PolarHBondContact O-N 3.17Å; E328-C332 PolarHBondContact O-SG 3.18Å; A329-C332 PolarHBondContact O-N 3.37Å; C332-R334 PolarHBondContact O-N 2.97Å; C332-V335 PolarHBondContact O-N 3.02Å; C332-F336 HydrophobicContact CB-CD2 4.32Å; C332-F336 HydrophobicContact CB-CE2 4.3Å; C332-F336 WeakPolarHBondContact O-CB 3.08Å; C332-F336 WeakPolarHBondContact O-CD2 3.31Å; C332-F336 WeakPolarHBondContact O-CG 3.49Å; C332-F336 PolarHBondContact O-N 3.3Å |
| 333 | L | 56.1 | Low | 57.9 | Low | 114 Ų | 114 | 85.1 Ų | 85.1 | 60% | 0.597 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -56.5 | -47.5 | 176.3 | -98.2 | 140.2 | 0 | 0 | 0 | 111.6 | A329 V330 M331 F336 T337 | A329-L333 WeakPolarHBondContact O-CB 3.19Å; A329-L333 PolarHBondContact O-N 3.44Å; V330-L333 PolarHBondContact O-N 3.03Å; M331-L333 VanDerWaalsContact C-N 3.32Å; M331-L333 PolarHBondContact O-N 3.03Å; L333-F336 CarbonylContact O-C 3.54Å; L333-F336 PolarHBondContact O-N 3.26Å; L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 3.24Å; L333-T337 PolarHBondContact O-OG1 3.19Å |
| 334 | R | 63.8 | Low | 57.8 | Low | 130 Ų | 130 | 85.3 Ų | 85.3 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 179.1 | -72.9 | 179.7 | -175.7 | -171.4 | 2.7 | 112.9 | V330 M331 C332 F336 T337 H338 | V330-R334 WeakPolarHBondContact O-CG 3.45Å; V330-R334 PolarHBondContact O-N 3.37Å; M331-R334 PolarHBondContact O-N 3.39Å; C332-R334 PolarHBondContact O-N 2.97Å; R334-F336 VanDerWaalsContact C-N 3.32Å; R334-F336 PolarHBondContact O-N 3.24Å; R334-T337 PolarHBondContact O-N 3.24Å; R334-H338 PolarHBondContact O-CD2 3.28Å; R334-H338 VanDerWaalsContact O-CD2 3.23Å; R334-H338 PolarHBondContact O-N 2.94Å |
| 335 | V | 64.7 | Low | 57.7 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 34% | 0.339 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.6 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | M331 C332 H338 I339 | M331-V335 WeakPolarHBondContact O-CG2 3.12Å; M331-V335 PolarHBondContact O-N 3.2Å; C332-V335 PolarHBondContact O-N 3.02Å; V335-H338 PolarHBondContact O-N 3.22Å; V335-I339 HydrophobicContact CG1-CD1 3.73Å; V335-I339 HydrophobicContact CG1-CG1 4.42Å; V335-I339 WeakPolarHBondContact O-CB 3.34Å; V335-I339 WeakPolarHBondContact O-CG1 3.37Å; V335-I339 PolarHBondContact O-N 2.94Å |
| 336 | F | 65.8 | Low | 57.2 | Low | 84 Ų | 84 | 78.9 Ų | 78.9 | 37% | 0.368 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 174.4 | -78.3 | -60.3 | 0 | 0 | 0 | 112.4 | C332 L333 R334 I339 D340 C379 | C332-F336 HydrophobicContact CB-CD2 4.32Å; C332-F336 HydrophobicContact CB-CE2 4.3Å; C332-F336 WeakPolarHBondContact O-CB 3.08Å; C332-F336 WeakPolarHBondContact O-CD2 3.31Å; C332-F336 WeakPolarHBondContact O-CG 3.49Å; C332-F336 PolarHBondContact O-N 3.3Å; L333-F336 CarbonylContact O-C 3.54Å; L333-F336 PolarHBondContact O-N 3.26Å; R334-F336 VanDerWaalsContact C-N 3.32Å; R334-F336 PolarHBondContact O-N 3.24Å; F336-I339 CarbonylContact O-C 3.45Å; F336-I339 PolarHBondContact O-N 3.1Å; F336-D340 WeakPolarHBondContact O-CB 3.39Å; F336-D340 PolarHBondContact O-N 2.87Å; F336-C379 HydrophobicContact CZ-CB 3.99Å |
| 337 | T | 61.4 | Low | 57.4 | Low | 78 Ų | 78 | 79.2 Ų | 79.2 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | L333 R334 I339 D340 C341 | L333-T337 WeakPolarHBondContact O-CB 3.43Å; L333-T337 PolarHBondContact O-N 3.24Å; L333-T337 PolarHBondContact O-OG1 3.19Å; R334-T337 PolarHBondContact O-N 3.24Å; T337-I339 PolarHBondContact O-N 3.35Å; T337-D340 CarbonylContact O-C 3.58Å; T337-D340 PolarHBondContact O-N 3.4Å; T337-C341 WeakPolarHBondContact O-CB 3.39Å; T337-C341 PolarHBondContact O-N 3.01Å; T337-C341 PolarHBondContact O-SG 3.41Å |
| 338 | H | 62.8 | Low | 57.2 | Low | 125 Ų | 125 | 79.2 Ų | 79.2 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 174.3 | -81.2 | -66.8 | 0 | 0 | 0 | 112.2 | R334 V335 D340 C341 L342 | R334-H338 PolarHBondContact O-CD2 3.28Å; R334-H338 VanDerWaalsContact O-CD2 3.23Å; R334-H338 PolarHBondContact O-N 2.94Å; V335-H338 PolarHBondContact O-N 3.22Å; H338-D340 VanDerWaalsContact C-N 3.35Å; H338-C341 PolarHBondContact O-N 3.3Å; H338-L342 WeakPolarHBondContact O-CG 3.38Å; H338-L342 PolarHBondContact O-N 3.35Å |
| 339 | I | 68 | Low | 57.2 | Low | 56 Ų | 56 | 83.3 Ų | 83.3 | 29% | 0.287 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 174.7 | -71.8 | 173.3 | 0 | 0 | 0 | 110.7 | V335 F336 T337 L342 F343 | V335-I339 HydrophobicContact CG1-CD1 3.73Å; V335-I339 HydrophobicContact CG1-CG1 4.42Å; V335-I339 WeakPolarHBondContact O-CB 3.34Å; V335-I339 WeakPolarHBondContact O-CG1 3.37Å; V335-I339 PolarHBondContact O-N 2.94Å; F336-I339 CarbonylContact O-C 3.45Å; F336-I339 PolarHBondContact O-N 3.1Å; T337-I339 PolarHBondContact O-N 3.35Å; I339-L342 WeakPolarHBondContact O-CB 3.29Å; I339-L342 PolarHBondContact O-N 3.04Å; I339-F343 HydrophobicContact CG2-CD2 3.45Å; I339-F343 VanDerWaalsContact CG2-CD2 3.45Å; I339-F343 HydrophobicContact CG2-CE2 3.09Å; I339-F343 HydrophobicContact CG2-CZ 4.09Å; I339-F343 WeakPolarHBondContact O-CD2 3.47Å; I339-F343 WeakPolarHBondContact O-CG 3.38Å; I339-F343 PolarHBondContact O-N 3.13Å |
| 340 | D | 61.5 | Low | 57.4 | Low | 56 Ų | 56 | 86.8 Ų | 86.8 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.6 | -34.5 | 179.2 | -159.6 | 47.7 | 0 | 0 | 0 | 111.6 | F336 T337 H338 F343 N344 R347 | F336-D340 WeakPolarHBondContact O-CB 3.39Å; F336-D340 PolarHBondContact O-N 2.87Å; T337-D340 CarbonylContact O-C 3.58Å; T337-D340 PolarHBondContact O-N 3.4Å; H338-D340 VanDerWaalsContact C-N 3.35Å; D340-F343 CarbonylContact O-C 3.49Å; D340-F343 PolarHBondContact O-N 3.37Å; D340-N344 VanDerWaalsContact O-CB 3.29Å; D340-N344 WeakPolarHBondContact O-CB 3.17Å; D340-N344 PolarHBondContact O-N 2.95Å; D340-N344 PolarHBondContact O-ND2 3Å; D340-N344 PolarHBondContact OD2-ND2 3.24Å; D340-R347 IonicContact OD1-NH1 2.76Å |
| 341 | C | 58.1 | Low | 57.5 | Low | 76 Ų | 76 | 86 Ų | 86 | 51% | 0.514 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 168.6 | -72.1 | 0 | 0 | 0 | 0 | 111.2 | T337 H338 F343 N344 H345 | T337-C341 WeakPolarHBondContact O-CB 3.39Å; T337-C341 PolarHBondContact O-N 3.01Å; T337-C341 PolarHBondContact O-SG 3.41Å; H338-C341 PolarHBondContact O-N 3.3Å; C341-F343 VanDerWaalsContact C-N 3.29Å; C341-F343 PolarHBondContact O-N 3.29Å; C341-N344 PolarHBondContact O-N 3.39Å; C341-H345 PolarHBondContact O-N 2.94Å |
| 342 | L | 52.7 | Low | 57.8 | Low | 110 Ų | 110 | 90.4 Ų | 90.4 | 58% | 0.576 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.9 | -36.8 | 173.2 | -74.3 | 166.9 | 0 | 0 | 0 | 111.8 | H338 I339 | H338-L342 WeakPolarHBondContact O-CG 3.38Å; H338-L342 PolarHBondContact O-N 3.35Å; I339-L342 WeakPolarHBondContact O-CB 3.29Å; I339-L342 PolarHBondContact O-N 3.04Å |
| 343 | F | 58 | Low | 58 | Low | 20 Ų | 20 | 92.5 Ų | 92.5 | 9% | 0.088 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -79.4 | -30.4 | 176.7 | -71.8 | -49.9 | 0 | 0 | 0 | 114.3 | I339 D340 C341 H345 Q346 R347 F355 | I339-F343 HydrophobicContact CG2-CD2 3.45Å; I339-F343 VanDerWaalsContact CG2-CD2 3.45Å; I339-F343 HydrophobicContact CG2-CE2 3.09Å; I339-F343 HydrophobicContact CG2-CZ 4.09Å; I339-F343 WeakPolarHBondContact O-CD2 3.47Å; I339-F343 WeakPolarHBondContact O-CG 3.38Å; I339-F343 PolarHBondContact O-N 3.13Å; D340-F343 CarbonylContact O-C 3.49Å; D340-F343 PolarHBondContact O-N 3.37Å; C341-F343 VanDerWaalsContact C-N 3.29Å; C341-F343 PolarHBondContact O-N 3.29Å; F343-H345 VanDerWaalsContact C-N 3.26Å; F343-H345 PolarHBondContact O-N 2.6Å; F343-Q346 CarbonylContact O-C 3.6Å; F343-Q346 WeakPolarHBondContact O-CA 3.36Å; F343-Q346 WeakPolarHBondContact O-CB 3.35Å; F343-Q346 PolarHBondContact O-N 3.4Å; F343-R347 PolarHBondContact O-N 3.4Å; F343-F355 HydrophobicContact CE1-CB 4.32Å; F343-F355 HydrophobicContact CE1-CD1 4.25Å; F343-F355 AromaticContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CE1 4.31Å; F343-F355 HydrophobicContact CZ-CB 4.31Å; F343-F355 AromaticContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CD1 3.42Å; F343-F355 VanDerWaalsContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CE1 4.16Å; F343-F355 HydrophobicContact CZ-CG 4.31Å |
| 344 | N | 53.2 | Low | 58.9 | Low | 71 Ų | 71 | 87.6 Ų | 87.6 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.5 | -30.8 | 175.9 | -77.9 | -32.3 | 0 | 0 | 0 | 110.7 | D340 C341 Q346 R347 | D340-N344 VanDerWaalsContact O-CB 3.29Å; D340-N344 WeakPolarHBondContact O-CB 3.17Å; D340-N344 PolarHBondContact O-N 2.95Å; D340-N344 PolarHBondContact O-ND2 3Å; D340-N344 PolarHBondContact OD2-ND2 3.24Å; C341-N344 PolarHBondContact O-N 3.39Å; N344-Q346 VanDerWaalsContact C-N 3.29Å; N344-Q346 PolarHBondContact O-N 3.4Å; N344-R347 PolarHBondContact O-N 3.24Å; N344-R347 WeakPolarHBondContact OD1-CD 3.4Å; N344-R347 PolarHBondContact OD1-NH1 2.89Å |
| 345 | H | 49.3 | Very low | 59 | Low | 138 Ų | 138 | 83.5 Ų | 83.5 | 64% | 0.639 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.3 | -37.4 | 166.7 | -170 | 69.4 | 0 | 0 | 0 | 112.2 | C341 F343 S348 | C341-H345 PolarHBondContact O-N 2.94Å; F343-H345 VanDerWaalsContact C-N 3.26Å; F343-H345 PolarHBondContact O-N 2.6Å; H345-S348 PolarHBondContact O-OG 2.76Å |
| 346 | Q | 49.5 | Very low | 59.3 | Low | 53 Ų | 53 | 81 Ų | 81 | 25% | 0.248 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -76.6 | -25.8 | 174.5 | -70.4 | -163.4 | -16.3 | 0 | 0 | 114.4 | F343 N344 S348 K349 A394 | F343-Q346 CarbonylContact O-C 3.6Å; F343-Q346 WeakPolarHBondContact O-CA 3.36Å; F343-Q346 WeakPolarHBondContact O-CB 3.35Å; F343-Q346 PolarHBondContact O-N 3.4Å; N344-Q346 VanDerWaalsContact C-N 3.29Å; N344-Q346 PolarHBondContact O-N 3.4Å; Q346-S348 PolarHBondContact O-N 2.94Å; Q346-S348 VanDerWaalsContact O-N 3.14Å; Q346-K349 PolarHBondContact O-N 3.48Å; Q346-A394 PolarHBondContact NE2-O 3.43Å |
| 347 | R | 52.1 | Low | 59.4 | Low | 84 Ų | 84 | 78.2 Ų | 78.2 | 32% | 0.317 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -18.4 | 179.5 | -83.5 | -168.5 | 173.7 | 141.6 | -4.8 | 113.6 | D340 F343 N344 K349 | D340-R347 IonicContact OD1-NH1 2.76Å; F343-R347 PolarHBondContact O-N 3.4Å; N344-R347 PolarHBondContact O-N 3.24Å; N344-R347 WeakPolarHBondContact OD1-CD 3.4Å; N344-R347 PolarHBondContact OD1-NH1 2.89Å; R347-K349 PolarHBondContact O-N 3.44Å |
| 348 | S | 50.1 | Low | 59.9 | Low | 95 Ų | 95 | 81.9 Ų | 81.9 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.2 | 175 | 70.2 | 0 | 0 | 0 | 0 | 114.6 | H345 Q346 | H345-S348 PolarHBondContact O-OG 2.76Å; Q346-S348 PolarHBondContact O-N 2.94Å; Q346-S348 VanDerWaalsContact O-N 3.14Å |
| 349 | K | 53.9 | Low | 60.3 | Low | 176 Ų | 176 | 77.8 Ų | 77.8 | 77% | 0.765 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | -18 | -174.7 | -70.5 | -173.3 | 177 | -177.4 | 0 | 117.3 | Q346 R347 | Q346-K349 PolarHBondContact O-N 3.48Å; R347-K349 PolarHBondContact O-N 3.44Å |
| 350 | N | 54.6 | Low | 60.4 | Low | 113 Ų | 113 | 77.1 Ų | 77.1 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | trans | -163.3 | 76.4 | -179.7 | -79.3 | -52.2 | 0 | 0 | 0 | 111.8 | D352 | N350-D352 PolarHBondContact O-N 3.42Š| ||
| 351 | A | 58.3 | Low | 61.1 | Low | 55 Ų | 55 | 80.7 Ų | 80.7 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -39.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S354 A357 | A351-S354 PolarHBondContact O-OG 3.35Å; A351-A357 WeakPolarHBondContact O-CB 2.98Å |
| 352 | D | 60.5 | Low | 61.8 | Low | 151 Ų | 151 | 79.2 Ų | 79.2 | 81% | 0.807 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -16.1 | -168.1 | -64.9 | -35.3 | 0 | 0 | 0 | 115.4 | N350 | N350-D352 PolarHBondContact O-N 3.42Š|
| 353 | T | 63.1 | Low | 62.8 | Low | 102 Ų | 102 | 81 Ų | 81 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -4 | -176.8 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 354 | S | 75.8 | Confident | 63.8 | Low | 11 Ų | 11 | 86.4 Ų | 86.4 | 8% | 0.077 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -63.8 | 146.3 | -178.4 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | A351 G356 A357 R358 | A351-S354 PolarHBondContact O-OG 3.35Å; S354-G356 PolarHBondContact O-N 3.34Å; S354-A357 PolarHBondContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.48Å; S354-A357 PolarHBondContact OG-N 2.82Å; S354-A357 VanDerWaalsContact OG-N 3.11Å; S354-R358 PolarHBondContact O-N 3.07Å |
| 355 | F | 66.6 | Low | 64.9 | Low | 44 Ų | 44 | 89.8 Ų | 89.8 | 19% | 0.193 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -57.8 | -36.5 | 173.1 | 178.4 | -102 | 0 | 0 | 0 | 111.8 | F343 R358 L359 A386 | F343-F355 HydrophobicContact CE1-CB 4.32Å; F343-F355 HydrophobicContact CE1-CD1 4.25Å; F343-F355 AromaticContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CD1 3.74Å; F343-F355 HydrophobicContact CE2-CE1 4.31Å; F343-F355 HydrophobicContact CZ-CB 4.31Å; F343-F355 AromaticContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CD1 3.42Å; F343-F355 VanDerWaalsContact CZ-CD1 3.42Å; F343-F355 HydrophobicContact CZ-CE1 4.16Å; F343-F355 HydrophobicContact CZ-CG 4.31Å; F355-R358 PolarHBondContact O-N 3.4Å; F355-L359 HydrophobicContact CD1-CD1 3.69Å; F355-L359 HydrophobicContact CD1-CG 4.48Å; F355-L359 HydrophobicContact CE1-CD1 3.19Å; F355-L359 HydrophobicContact CE1-CG 4.11Å; F355-L359 HydrophobicContact CE2-CD1 4.49Å; F355-L359 HydrophobicContact CZ-CD1 3.66Å; F355-L359 HydrophobicContact CZ-CG 4.18Å; F355-L359 PolarHBondContact O-N 2.88Å; F355-A386 HydrophobicContact CE2-CB 4.23Å; F355-A386 HydrophobicContact CZ-CB 4.21Å |
| 356 | G | 70.5 | Confident | 66 | Low | 3 Ų | 3 | 84.4 Ų | 84.4 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | S354 R358 L359 C360 | S354-G356 PolarHBondContact O-N 3.34Å; G356-R358 VanDerWaalsContact C-N 3.33Å; G356-R358 PolarHBondContact O-N 3.15Å; G356-L359 PolarHBondContact O-N 3.19Å; G356-C360 WeakPolarHBondContact O-CB 3.32Å; G356-C360 PolarHBondContact O-N 2.96Å; G356-C360 PolarHBondContact O-SG 2.98Å; G356-C360 VanDerWaalsContact O-SG 3.4Å |
| 357 | A | 68.3 | Low | 67 | Low | 25 Ų | 25 | 89 Ų | 89 | 21% | 0.207 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A351 S354 C360 K361 | A351-A357 WeakPolarHBondContact O-CB 2.98Å; S354-A357 PolarHBondContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.48Å; S354-A357 PolarHBondContact OG-N 2.82Å; S354-A357 VanDerWaalsContact OG-N 3.11Å; A357-C360 PolarHBondContact O-N 2.9Å; A357-K361 WeakPolarHBondContact O-CB 3.48Å; A357-K361 PolarHBondContact O-N 3.28Å |
| 358 | R | 72 | Confident | 68.3 | Low | 156 Ų | 156 | 91.3 Ų | 91.3 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 176 | -68.8 | -173.3 | -69.2 | 176.6 | 0 | 112.2 | S354 F355 G356 K361 A362 | S354-R358 PolarHBondContact O-N 3.07Å; F355-R358 PolarHBondContact O-N 3.4Å; G356-R358 VanDerWaalsContact C-N 3.33Å; G356-R358 PolarHBondContact O-N 3.15Å; R358-K361 PolarHBondContact O-N 3.08Å; R358-A362 WeakPolarHBondContact O-CB 3.31Å; R358-A362 PolarHBondContact O-N 3.04Å |
| 359 | L | 70.1 | Confident | 70 | Confident | 38 Ų | 38 | 92.7 Ų | 92.7 | 20% | 0.199 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.8 | -88 | 171.4 | 0 | 0 | 0 | 112.2 | F355 G356 K361 A362 R363 | F355-L359 HydrophobicContact CD1-CD1 3.69Å; F355-L359 HydrophobicContact CD1-CG 4.48Å; F355-L359 HydrophobicContact CE1-CD1 3.19Å; F355-L359 HydrophobicContact CE1-CG 4.11Å; F355-L359 HydrophobicContact CE2-CD1 4.49Å; F355-L359 HydrophobicContact CZ-CD1 3.66Å; F355-L359 HydrophobicContact CZ-CG 4.18Å; F355-L359 PolarHBondContact O-N 2.88Å; G356-L359 PolarHBondContact O-N 3.19Å; L359-K361 PolarHBondContact O-N 3.41Å; L359-A362 PolarHBondContact O-N 2.94Å; L359-R363 VanDerWaalsContact O-CB 3.31Å; L359-R363 WeakPolarHBondContact O-CB 3.29Å; L359-R363 PolarHBondContact O-N 2.99Å |
| 360 | C | 70.5 | Confident | 71.1 | Confident | 42 Ų | 42 | 87.7 Ų | 87.7 | 28% | 0.284 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.2 | -75 | 0 | 0 | 0 | 0 | 112 | G356 A357 R363 K364 | G356-C360 WeakPolarHBondContact O-CB 3.32Å; G356-C360 PolarHBondContact O-N 2.96Å; G356-C360 PolarHBondContact O-SG 2.98Å; G356-C360 VanDerWaalsContact O-SG 3.4Å; A357-C360 PolarHBondContact O-N 2.9Å; C360-R363 PolarHBondContact O-N 3.35Å; C360-K364 WeakPolarHBondContact O-CB 3.43Å; C360-K364 PolarHBondContact O-N 3.42Å |
| 361 | K | 76.7 | Confident | 72 | Confident | 131 Ų | 131 | 88.4 Ų | 88.4 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.1 | -40.9 | 177.2 | -167.4 | 172.5 | -173.8 | 171.7 | 0 | 111.8 | A357 R358 L359 R365 | A357-K361 WeakPolarHBondContact O-CB 3.48Å; A357-K361 PolarHBondContact O-N 3.28Å; R358-K361 PolarHBondContact O-N 3.08Å; L359-K361 PolarHBondContact O-N 3.41Å; K361-R365 WeakPolarHBondContact O-CG 3.45Å; K361-R365 PolarHBondContact O-N 2.91Å; K361-R365 VanDerWaalsContact O-N 3.16Å |
| 362 | A | 71.7 | Confident | 72.3 | Confident | 46 Ų | 46 | 87.5 Ų | 87.5 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R358 L359 R365 L366 | R358-A362 WeakPolarHBondContact O-CB 3.31Å; R358-A362 PolarHBondContact O-N 3.04Å; L359-A362 PolarHBondContact O-N 2.94Å; A362-R365 PolarHBondContact O-N 3.44Å; A362-L366 WeakPolarHBondContact O-CG 3.39Å; A362-L366 PolarHBondContact O-N 3.2Å; A362-L366 VanDerWaalsContact O-N 3.07Å |
| 363 | R | 74.4 | Confident | 72.1 | Confident | 146 Ų | 146 | 85.4 Ų | 85.4 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.7 | -50.3 | 175.8 | -173.3 | -179.4 | 79.5 | 177.8 | 3.8 | 111.1 | L359 C360 R365 L366 Y367 | L359-R363 VanDerWaalsContact O-CB 3.31Å; L359-R363 WeakPolarHBondContact O-CB 3.29Å; L359-R363 PolarHBondContact O-N 2.99Å; C360-R363 PolarHBondContact O-N 3.35Å; R363-R365 PolarHBondContact O-N 3.42Å; R363-L366 PolarHBondContact O-N 2.87Å; R363-Y367 HydrophobicContact CG-CD2 3.77Å; R363-Y367 HydrophobicContact CG-CE2 3.79Å; R363-Y367 WeakPolarHBondContact O-CD2 3.46Å; R363-Y367 PolarHBondContact O-N 2.89Å |
| 364 | K | 78.9 | Confident | 72.4 | Confident | 135 Ų | 135 | 82.3 Ų | 82.3 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -56.5 | -49.7 | 179.4 | -176.8 | 171.2 | 176.3 | 176.6 | 0 | 111.5 | C360 L366 Y367 E368 | C360-K364 WeakPolarHBondContact O-CB 3.43Å; C360-K364 PolarHBondContact O-N 3.42Å; K364-L366 VanDerWaalsContact C-N 3.32Å; K364-L366 PolarHBondContact O-N 3.5Å; K364-Y367 PolarHBondContact O-N 2.89Å; K364-E368 WeakPolarHBondContact CE-OE1 3.28Å; K364-E368 VanDerWaalsContact CG-OE1 3.32Å; K364-E368 WeakPolarHBondContact CG-OE1 3.31Å; K364-E368 VanDerWaalsContact O-CG 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.3Å; K364-E368 PolarHBondContact O-N 3.38Å |
| 365 | R | 76.9 | Confident | 71.1 | Confident | 142 Ų | 142 | 82.6 Ų | 82.6 | 54% | 0.536 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 177.6 | -72.9 | 175.2 | 177.1 | -176.1 | -4.5 | 113.4 | K361 A362 R363 Q369 | K361-R365 WeakPolarHBondContact O-CG 3.45Å; K361-R365 PolarHBondContact O-N 2.91Å; K361-R365 VanDerWaalsContact O-N 3.16Å; A362-R365 PolarHBondContact O-N 3.44Å; R363-R365 PolarHBondContact O-N 3.42Å; R365-Q369 WeakPolarHBondContact O-CG 3.46Å; R365-Q369 PolarHBondContact O-N 2.94Å; R365-Q369 VanDerWaalsContact O-N 3.15Å |
| 366 | L | 72 | Confident | 70.5 | Confident | 25 Ų | 25 | 87 Ų | 87 | 13% | 0.131 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -75.3 | -32.8 | -178.6 | -70.8 | 168.7 | 0 | 0 | 0 | 112.8 | A362 R363 K364 Q369 G370 R371 V375 L378 | A362-L366 WeakPolarHBondContact O-CG 3.39Å; A362-L366 PolarHBondContact O-N 3.2Å; A362-L366 VanDerWaalsContact O-N 3.07Å; R363-L366 PolarHBondContact O-N 2.87Å; K364-L366 VanDerWaalsContact C-N 3.32Å; K364-L366 PolarHBondContact O-N 3.5Å; L366-Q369 PolarHBondContact O-N 2.94Å; L366-G370 PolarHBondContact O-N 3.35Å; L366-R371 PolarHBondContact O-N 3.08Å; L366-V375 HydrophobicContact CB-CG2 3.58Å; L366-V375 HydrophobicContact CD1-CG2 4.04Å; L366-V375 HydrophobicContact CG-CG2 4.45Å; L366-L378 HydrophobicContact CD1-CD1 3.6Å; L366-L378 HydrophobicContact CD2-CD1 3.88Å; L366-L378 HydrophobicContact CG-CD1 4.41Å |
| 367 | Y | 69.6 | Low | 70.2 | Confident | 150 Ų | 150 | 89.7 Ų | 89.7 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | 170.5 | -93 | -80.6 | 0 | 0 | 0 | 111.3 | R363 K364 Q369 G370 | R363-Y367 HydrophobicContact CG-CD2 3.77Å; R363-Y367 HydrophobicContact CG-CE2 3.79Å; R363-Y367 WeakPolarHBondContact O-CD2 3.46Å; R363-Y367 PolarHBondContact O-N 2.89Å; K364-Y367 PolarHBondContact O-N 2.89Å; Y367-Q369 PolarHBondContact O-N 3.15Å; Y367-G370 PolarHBondContact O-N 3.34Å |
| 368 | E | 80.8 | Confident | 69.9 | Low | 132 Ų | 132 | 91.8 Ų | 91.8 | 62% | 0.617 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.9 | -24.8 | 174.8 | -72.1 | 165.8 | 172.8 | 0 | 0 | 112.3 | K364 | K364-E368 WeakPolarHBondContact CE-OE1 3.28Å; K364-E368 VanDerWaalsContact CG-OE1 3.32Å; K364-E368 WeakPolarHBondContact CG-OE1 3.31Å; K364-E368 VanDerWaalsContact O-CG 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.3Å; K364-E368 PolarHBondContact O-N 3.38Å |
| 369 | Q | 85.2 | Confident | 69.6 | Low | 123 Ų | 123 | 85.6 Ų | 85.6 | 58% | 0.575 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.9 | 176 | -71 | 173 | 1 | 0 | 0 | 114.3 | R365 L366 Y367 R371 | R365-Q369 WeakPolarHBondContact O-CG 3.46Å; R365-Q369 PolarHBondContact O-N 2.94Å; R365-Q369 VanDerWaalsContact O-N 3.15Å; L366-Q369 PolarHBondContact O-N 2.94Å; Y367-Q369 PolarHBondContact O-N 3.15Å; Q369-R371 HydrophobicContact CB-CG 4.08Å; Q369-R371 WeakPolarHBondContact O-CG 3.25Å; Q369-R371 PolarHBondContact O-N 2.87Å |
| 370 | G | 77.3 | Confident | 69.5 | Low | 71 Ų | 71 | 86.5 Ų | 86.5 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 15.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L366 Y367 G372 | L366-G370 PolarHBondContact O-N 3.35Å; Y367-G370 PolarHBondContact O-N 3.34Å; G370-G372 PolarHBondContact O-N 2.97Å |
| 371 | R | 73.6 | Confident | 69.4 | Low | 128 Ų | 128 | 90.6 Ų | 90.6 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | trans | -98.2 | 40.1 | -172.4 | -60.9 | -171.1 | 77.3 | 174 | 8.3 | 113.5 | L366 Q369 S373 T374 V375 | L366-R371 PolarHBondContact O-N 3.08Å; Q369-R371 HydrophobicContact CB-CG 4.08Å; Q369-R371 WeakPolarHBondContact O-CG 3.25Å; Q369-R371 PolarHBondContact O-N 2.87Å; R371-S373 VanDerWaalsContact C-N 3.29Å; R371-S373 PolarHBondContact O-N 3.34Å; R371-T374 WeakPolarHBondContact O-CA 3.43Å; R371-T374 VanDerWaalsContact O-CB 3.3Å; R371-T374 WeakPolarHBondContact O-CB 3.5Å; R371-T374 PolarHBondContact O-N 3.39Å; R371-V375 PolarHBondContact O-N 3.37Å; R371-V375 VanDerWaalsContact O-N 3.15Å | ||
| 372 | G | 63.6 | Low | 69 | Low | 37 Ų | 37 | 86.1 Ų | 86.1 | 38% | 0.381 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.6 | -37.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G370 T374 V375 | G370-G372 PolarHBondContact O-N 2.97Å; G372-T374 VanDerWaalsContact C-N 3.35Å; G372-V375 WeakPolarHBondContact O-CB 3.5Å; G372-V375 PolarHBondContact O-N 3.47Å |
| 373 | S | 56.9 | Low | 69 | Low | 106 Ų | 106 | 85.7 Ų | 85.7 | 74% | 0.741 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -70.2 | -29.4 | 175 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | R371 | R371-S373 VanDerWaalsContact C-N 3.29Å; R371-S373 PolarHBondContact O-N 3.34Å |
| 374 | T | 68.5 | Low | 68.8 | Low | 38 Ų | 38 | 81.7 Ų | 81.7 | 23% | 0.233 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -74 | -28.2 | 176.6 | -40.7 | 0 | 0 | 0 | 0 | 111.8 | R371 G372 R376 A377 L378 | R371-T374 WeakPolarHBondContact O-CA 3.43Å; R371-T374 VanDerWaalsContact O-CB 3.3Å; R371-T374 WeakPolarHBondContact O-CB 3.5Å; R371-T374 PolarHBondContact O-N 3.39Å; G372-T374 VanDerWaalsContact C-N 3.35Å; T374-R376 PolarHBondContact O-N 3.46Å; T374-A377 PolarHBondContact O-N 3.41Å; T374-L378 HydrophobicContact CG2-CD1 3.85Å; T374-L378 HydrophobicContact CG2-CG 4.19Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.37Å |
| 375 | V | 50.3 | Low | 68.4 | Low | 16 Ų | 16 | 78.1 Ų | 78.1 | 10% | 0.097 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.5 | -40.2 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | L366 R371 G372 L378 C379 | L366-V375 HydrophobicContact CB-CG2 3.58Å; L366-V375 HydrophobicContact CD1-CG2 4.04Å; L366-V375 HydrophobicContact CG-CG2 4.45Å; R371-V375 PolarHBondContact O-N 3.37Å; R371-V375 VanDerWaalsContact O-N 3.15Å; G372-V375 WeakPolarHBondContact O-CB 3.5Å; G372-V375 PolarHBondContact O-N 3.47Å; V375-L378 PolarHBondContact O-N 2.94Å; V375-C379 VanDerWaalsContact O-CB 3.31Å; V375-C379 WeakPolarHBondContact O-CB 3.38Å; V375-C379 PolarHBondContact O-N 2.91Å; V375-C379 PolarHBondContact O-SG 3.26Å |
| 376 | R | 53.8 | Low | 68.3 | Low | 137 Ų | 137 | 71.7 Ų | 71.7 | 52% | 0.517 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | -179.5 | -169.9 | -173.7 | -60 | -163.1 | 0.6 | 112.2 | E328 T374 C379 A380 | E328-R376 IonicContact OE2-NH1 3.38Å; E328-R376 PolarHBondContact OE2-NH1 3.08Å; T374-R376 PolarHBondContact O-N 3.46Å; R376-C379 PolarHBondContact O-N 3.03Å; R376-A380 PolarHBondContact O-N 3.46Å |
| 377 | A | 62.8 | Low | 68.6 | Low | 60 Ų | 60 | 71.7 Ų | 71.7 | 50% | 0.496 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64 | -43 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | T374 A380 E381 | T374-A377 PolarHBondContact O-N 3.41Å; A377-A380 PolarHBondContact O-N 2.96Å; A377-E381 VanDerWaalsContact O-CB 3.31Å; A377-E381 WeakPolarHBondContact O-CB 3.45Å; A377-E381 PolarHBondContact O-N 3.33Å |
| 378 | L | 62.6 | Low | 69 | Low | 68 Ų | 68 | 70.4 Ų | 70.4 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 178.9 | -70.3 | 172.1 | 0 | 0 | 0 | 112.6 | L366 T374 V375 A382 | L366-L378 HydrophobicContact CD1-CD1 3.6Å; L366-L378 HydrophobicContact CD2-CD1 3.88Å; L366-L378 HydrophobicContact CG-CD1 4.41Å; T374-L378 HydrophobicContact CG2-CD1 3.85Å; T374-L378 HydrophobicContact CG2-CG 4.19Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.37Å; V375-L378 PolarHBondContact O-N 2.94Å; L378-A382 WeakPolarHBondContact O-CB 3.45Å; L378-A382 PolarHBondContact O-N 3.27Å |
| 379 | C | 66.1 | Low | 69.1 | Low | 26 Ų | 26 | 68.8 Ų | 68.8 | 18% | 0.176 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 173.7 | -78.2 | 0 | 0 | 0 | 0 | 111.6 | F336 V375 R376 E381 A382 V383 | F336-C379 HydrophobicContact CZ-CB 3.99Å; V375-C379 VanDerWaalsContact O-CB 3.31Å; V375-C379 WeakPolarHBondContact O-CB 3.38Å; V375-C379 PolarHBondContact O-N 2.91Å; V375-C379 PolarHBondContact O-SG 3.26Å; R376-C379 PolarHBondContact O-N 3.03Å; C379-E381 VanDerWaalsContact C-N 3.35Å; C379-A382 PolarHBondContact O-N 3Å; C379-V383 WeakPolarHBondContact O-CB 3.4Å; C379-V383 VanDerWaalsContact O-CG2 3.31Å; C379-V383 WeakPolarHBondContact O-CG2 3.35Å; C379-V383 PolarHBondContact O-N 3.37Å |
| 380 | A | 66.7 | Low | 69.3 | Low | 57 Ų | 57 | 64.4 Ų | 64.4 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R376 A377 T384 | R376-A380 PolarHBondContact O-N 3.46Å; A377-A380 PolarHBondContact O-N 2.96Å; A380-T384 VanDerWaalsContact O-CB 3.25Å; A380-T384 WeakPolarHBondContact O-CB 3.4Å; A380-T384 PolarHBondContact O-N 3.45Å; A380-T384 PolarHBondContact O-OG1 3.39Å |
| 381 | E | 68.6 | Low | 69.6 | Low | 129 Ų | 129 | 63.3 Ų | 63.3 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 175.9 | -171.4 | 175.4 | -173.8 | 0 | 0 | 112 | A377 C379 T384 S385 | A377-E381 VanDerWaalsContact O-CB 3.31Å; A377-E381 WeakPolarHBondContact O-CB 3.45Å; A377-E381 PolarHBondContact O-N 3.33Å; C379-E381 VanDerWaalsContact C-N 3.35Å; E381-T384 PolarHBondContact O-N 3.05Å; E381-S385 WeakPolarHBondContact O-CA 3.31Å; E381-S385 WeakPolarHBondContact O-CB 3.38Å; E381-S385 PolarHBondContact O-N 3.28Å |
| 382 | A | 68.4 | Low | 70.1 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L378 C379 A386 | L378-A382 WeakPolarHBondContact O-CB 3.45Å; L378-A382 PolarHBondContact O-N 3.27Å; C379-A382 PolarHBondContact O-N 3Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.36Å |
| 383 | V | 71.2 | Confident | 71.1 | Confident | 38 Ų | 38 | 60 Ų | 60 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 175 | 170 | 0 | 0 | 0 | 0 | 110.4 | C379 S385 A386 M387 | C379-V383 WeakPolarHBondContact O-CB 3.4Å; C379-V383 VanDerWaalsContact O-CG2 3.31Å; C379-V383 WeakPolarHBondContact O-CG2 3.35Å; C379-V383 PolarHBondContact O-N 3.37Å; V383-S385 PolarHBondContact O-N 3.15Å; V383-A386 PolarHBondContact O-N 3.22Å; V383-M387 HydrophobicContact CG1-CE 3.46Å; V383-M387 VanDerWaalsContact CG1-CE 3.46Å; V383-M387 WeakPolarHBondContact O-CG 3.33Å; V383-M387 PolarHBondContact O-N 3.38Å |
| 384 | T | 70.9 | Confident | 72.2 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | A380 E381 M387 H388 | A380-T384 VanDerWaalsContact O-CB 3.25Å; A380-T384 WeakPolarHBondContact O-CB 3.4Å; A380-T384 PolarHBondContact O-N 3.45Å; A380-T384 PolarHBondContact O-OG1 3.39Å; E381-T384 PolarHBondContact O-N 3.05Å; T384-M387 PolarHBondContact O-N 2.98Å; T384-H388 PolarHBondContact O-CD2 3.22Å; T384-H388 PolarHBondContact O-N 2.89Å |
| 385 | S | 71.5 | Confident | 72.9 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.5 | -178 | 0 | 0 | 0 | 0 | 111.2 | E381 V383 M387 H388 C389 | E381-S385 WeakPolarHBondContact O-CA 3.31Å; E381-S385 WeakPolarHBondContact O-CB 3.38Å; E381-S385 PolarHBondContact O-N 3.28Å; V383-S385 PolarHBondContact O-N 3.15Å; S385-M387 VanDerWaalsContact C-N 3.31Å; S385-M387 PolarHBondContact O-N 2.97Å; S385-H388 PolarHBondContact O-N 3.41Å; S385-H388 VanDerWaalsContact O-N 3.12Å; S385-C389 VanDerWaalsContact O-CB 3.26Å; S385-C389 WeakPolarHBondContact O-CB 3.43Å; S385-C389 PolarHBondContact O-N 2.91Å; S385-C389 PolarHBondContact O-SG 3.45Å |
| 386 | A | 74.1 | Confident | 73.9 | Confident | 6 Ų | 6 | 64 Ų | 64 | 5% | 0.05 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F355 A382 V383 G390 V391 L402 | F355-A386 HydrophobicContact CE2-CB 4.23Å; F355-A386 HydrophobicContact CZ-CB 4.21Å; A382-A386 WeakPolarHBondContact O-CB 3.3Å; A382-A386 PolarHBondContact O-N 3.36Å; V383-A386 PolarHBondContact O-N 3.22Å; A386-G390 PolarHBondContact O-N 3.11Å; A386-V391 HydrophobicContact CB-CB 4.09Å; A386-V391 HydrophobicContact CB-CG2 3.73Å; A386-V391 VanDerWaalsContact O-CB 3.27Å; A386-V391 WeakPolarHBondContact O-CB 3.26Å; A386-V391 VanDerWaalsContact O-CG2 3.31Å; A386-V391 WeakPolarHBondContact O-CG2 3.41Å; A386-V391 PolarHBondContact O-N 2.9Å; A386-L402 HydrophobicContact CB-CD2 3.62Å |
| 387 | M | 77.7 | Confident | 75.1 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 174.4 | -69.1 | -166.9 | -157.8 | 0 | 0 | 111.8 | V383 T384 S385 L402 V406 F443 | V383-M387 HydrophobicContact CG1-CE 3.46Å; V383-M387 VanDerWaalsContact CG1-CE 3.46Å; V383-M387 WeakPolarHBondContact O-CG 3.33Å; V383-M387 PolarHBondContact O-N 3.38Å; T384-M387 PolarHBondContact O-N 2.98Å; S385-M387 VanDerWaalsContact C-N 3.31Å; S385-M387 PolarHBondContact O-N 2.97Å; M387-L402 HydrophobicContact CG-CD2 3.8Å; M387-L402 HydrophobicContact CG-CG 3.95Å; M387-V406 HydrophobicContact CE-CB 4.2Å; M387-V406 HydrophobicContact CE-CG1 4.02Å; M387-V406 HydrophobicContact CE-CG2 3.43Å; M387-V406 VanDerWaalsContact CE-CG2 3.43Å; M387-V406 HydrophobicContact SD-CG1 4.45Å; M387-V406 HydrophobicContact SD-CG2 4.18Å; M387-F443 HydrophobicContact CB-CE2 3.98Å; M387-F443 HydrophobicContact CB-CZ 4.06Å; M387-F443 HydrophobicContact SD-CD2 4.33Å; M387-F443 HydrophobicContact SD-CE1 4.32Å; M387-F443 HydrophobicContact SD-CE2 3.75Å; M387-F443 HydrophobicContact SD-CZ 3.75Å |
| 388 | H | 78.7 | Confident | 76.1 | Confident | 124 Ų | 124 | 71.3 Ų | 71.3 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.9 | -35.4 | 178.8 | -74.8 | -57.4 | 0 | 0 | 0 | 113.9 | T384 S385 G390 | T384-H388 PolarHBondContact O-CD2 3.22Å; T384-H388 PolarHBondContact O-N 2.89Å; S385-H388 PolarHBondContact O-N 3.41Å; S385-H388 VanDerWaalsContact O-N 3.12Å; H388-G390 PolarHBondContact O-N 3.23Å |
| 389 | C | 83.1 | Confident | 77.4 | Confident | 97 Ų | 97 | 76.2 Ų | 76.2 | 66% | 0.655 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 1.5 | 178.9 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | S385 V391 | S385-C389 VanDerWaalsContact O-CB 3.26Å; S385-C389 WeakPolarHBondContact O-CB 3.43Å; S385-C389 PolarHBondContact O-N 2.91Å; S385-C389 PolarHBondContact O-SG 3.45Å; C389-V391 VanDerWaalsContact C-N 3.29Å; C389-V391 HydrophobicContact CB-CG2 4.49Å; C389-V391 PolarHBondContact O-N 2.92Å |
| 390 | G | 88.4 | Confident | 78.4 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 32% | 0.32 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 28.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A386 H388 S392 | A386-G390 PolarHBondContact O-N 3.11Å; H388-G390 PolarHBondContact O-N 3.23Å; G390-S392 PolarHBondContact O-N 3.46Å; G390-S392 PolarHBondContact O-OG 3.36Å |
| 391 | V | 83.8 | Confident | 79.5 | Confident | 48 Ų | 48 | 80 Ų | 80 | 29% | 0.291 | 44% | 0.439 | S | S | . | . | trans | -52.4 | 130.1 | 174.6 | 173.8 | 0 | 0 | 0 | 0 | 108.3 | A386 C389 K401 L402 | A386-V391 HydrophobicContact CB-CB 4.09Å; A386-V391 HydrophobicContact CB-CG2 3.73Å; A386-V391 VanDerWaalsContact O-CB 3.27Å; A386-V391 WeakPolarHBondContact O-CB 3.26Å; A386-V391 VanDerWaalsContact O-CG2 3.31Å; A386-V391 WeakPolarHBondContact O-CG2 3.41Å; A386-V391 PolarHBondContact O-N 2.9Å; C389-V391 VanDerWaalsContact C-N 3.29Å; C389-V391 HydrophobicContact CB-CG2 4.49Å; C389-V391 PolarHBondContact O-N 2.92Å; V391-K401 CarbonylContact O-C 3.5Å; V391-L402 VanDerWaalsContact O-CB 3.29Å; V391-L402 WeakPolarHBondContact O-CB 3.34Å; V391-L402 PolarHBondContact O-N 3.31Å | ||
| 392 | S | 84.1 | Confident | 80.4 | Confident | 56 Ų | 56 | 75 Ų | 75 | 39% | 0.392 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.3 | -179.3 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | G390 V400 | G390-S392 PolarHBondContact O-N 3.46Å; G390-S392 PolarHBondContact O-OG 3.36Å; S392-V400 CarbonylContact C-O 3.57Å; S392-V400 WeakPolarHBondContact CA-O 3.22Å |
| 393 | I | 84.1 | Confident | 81.3 | Confident | 41 Ų | 41 | 77.1 Ų | 77.1 | 21% | 0.21 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.9 | 173.3 | -57.8 | 165.5 | 0 | 0 | 0 | 107.3 | V395 K399 V400 L402 A405 | I393-V395 PolarHBondContact O-N 2.93Å; I393-K399 CarbonylContact O-C 3.59Å; I393-K399 WeakPolarHBondContact O-CA 3.42Å; I393-V400 PolarHBondContact N-O 3.24Å; I393-V400 PolarHBondContact O-N 3.21Å; I393-L402 HydrophobicContact CD1-CD1 3.64Å; I393-L402 HydrophobicContact CG1-CD1 4.33Å; I393-A405 HydrophobicContact CD1-CB 3.75Å |
| 394 | A | 81.6 | Confident | 82.1 | Confident | 58 Ų | 58 | 80.1 Ų | 80.1 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q346 | Q346-A394 PolarHBondContact NE2-O 3.43Å |
| 395 | V | 82.2 | Confident | 82.9 | Confident | 61 Ų | 61 | 78 Ų | 78 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 159.1 | 167.6 | -64 | 0 | 0 | 0 | 0 | 108.4 | I393 R397 N398 V400 | I393-V395 PolarHBondContact O-N 2.93Å; V395-R397 PolarHBondContact O-N 3.24Å; V395-N398 HydrophobicContact CG2-CB 3.9Å; V395-N398 WeakPolarHBondContact CG2-O 3.37Å; V395-N398 PolarHBondContact N-O 2.89Å; V395-N398 PolarHBondContact O-N 3.41Å; V395-N398 VanDerWaalsContact O-N 3.07Å; V395-V400 HydrophobicContact CG1-CG2 4.14Å; V395-V400 HydrophobicContact CG2-CG2 3.76Å |
| 396 | P | 71.2 | Confident | 83.6 | Confident | 124 Ų | 124 | 75.9 Ų | 75.9 | 81% | 0.805 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -19.2 | -169.2 | -31.9 | 36.6 | 0 | 0 | 0 | 116.9 | ||
| 397 | R | 79.2 | Confident | 84.1 | Confident | 229 Ų | 229 | 78 Ų | 78 | 86% | 0.864 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | -6 | 179.9 | -62.9 | -176.7 | 179.3 | 173.7 | -0.8 | 115.2 | V395 | V395-R397 PolarHBondContact O-N 3.24Š|
| 398 | N | 84.8 | Confident | 84.4 | Confident | 122 Ų | 122 | 81.1 Ų | 81.1 | 65% | 0.652 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 170.5 | -170.9 | -84.1 | -45 | 0 | 0 | 0 | 112.9 | V395 | V395-N398 HydrophobicContact CG2-CB 3.9Å; V395-N398 WeakPolarHBondContact CG2-O 3.37Å; V395-N398 PolarHBondContact N-O 2.89Å; V395-N398 PolarHBondContact O-N 3.41Å; V395-N398 VanDerWaalsContact O-N 3.07Å |
| 399 | K | 88.6 | Confident | 84.5 | Confident | 171 Ų | 171 | 78.8 Ų | 78.8 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.8 | 164.9 | -70.8 | -178.4 | -177.5 | 176.1 | 0 | 109 | I393 | I393-K399 CarbonylContact O-C 3.59Å; I393-K399 WeakPolarHBondContact O-CA 3.42Å |
| 400 | V | 86.8 | Confident | 84.5 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.2 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | S392 I393 V395 L402 K404 A405 | S392-V400 CarbonylContact C-O 3.57Å; S392-V400 WeakPolarHBondContact CA-O 3.22Å; I393-V400 PolarHBondContact N-O 3.24Å; I393-V400 PolarHBondContact O-N 3.21Å; V395-V400 HydrophobicContact CG1-CG2 4.14Å; V395-V400 HydrophobicContact CG2-CG2 3.76Å; V400-L402 PolarHBondContact O-N 3.27Å; V400-K404 HydrophobicContact CG1-CB 3.88Å; V400-K404 HydrophobicContact CG1-CG 4.06Å; V400-A405 HydrophobicContact CG1-CB 4.07Å |
| 401 | K | 90.9 | Very high | 84.1 | Confident | 127 Ų | 127 | 76.1 Ų | 76.1 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 135.8 | 172.8 | -70 | -177.7 | 178.3 | 179.3 | 0 | 109.2 | V391 Q403 K404 A405 | V391-K401 CarbonylContact O-C 3.5Å; K401-Q403 PolarHBondContact O-N 2.64Å; K401-Q403 VanDerWaalsContact O-N 3.16Å; K401-K404 HydrophobicContact CB-CB 4.36Å; K401-K404 CarbonylContact O-C 3.59Å; K401-K404 WeakPolarHBondContact O-CA 3.46Å; K401-K404 WeakPolarHBondContact O-CB 3.25Å; K401-K404 PolarHBondContact O-N 2.96Å; K401-A405 PolarHBondContact O-N 3.23Å |
| 402 | L | 87.5 | Confident | 83.7 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 13% | 0.131 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -51.6 | -41.1 | 179.3 | 176.4 | 64.7 | 0 | 0 | 0 | 111.1 | A386 M387 V391 I393 V400 K404 A405 V406 | A386-L402 HydrophobicContact CB-CD2 3.62Å; M387-L402 HydrophobicContact CG-CD2 3.8Å; M387-L402 HydrophobicContact CG-CG 3.95Å; V391-L402 VanDerWaalsContact O-CB 3.29Å; V391-L402 WeakPolarHBondContact O-CB 3.34Å; V391-L402 PolarHBondContact O-N 3.31Å; I393-L402 HydrophobicContact CD1-CD1 3.64Å; I393-L402 HydrophobicContact CG1-CD1 4.33Å; V400-L402 PolarHBondContact O-N 3.27Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 3.24Å; L402-A405 PolarHBondContact O-N 2.94Å; L402-V406 HydrophobicContact CD1-CG2 4.19Å; L402-V406 HydrophobicContact CG-CG2 4.39Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.38Å |
| 403 | Q | 86.5 | Confident | 83.4 | Confident | 81 Ų | 81 | 78 Ų | 78 | 38% | 0.379 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.8 | -44.1 | 172.3 | -177.8 | 177.1 | 19.9 | 0 | 0 | 112.5 | K401 E407 F443 | K401-Q403 PolarHBondContact O-N 2.64Å; K401-Q403 VanDerWaalsContact O-N 3.16Å; Q403-E407 WeakPolarHBondContact O-CB 3.21Å; Q403-E407 PolarHBondContact O-N 3.31Å; Q403-F443 HydrophobicContact CG-CE1 4.05Å; Q403-F443 HydrophobicContact CG-CZ 4.01Å |
| 404 | K | 88.5 | Confident | 82.8 | Confident | 100 Ų | 100 | 84 Ų | 84 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 178.6 | -172 | 59.5 | 177.9 | -179.8 | 0 | 111.7 | V400 K401 L402 E407 I408 | V400-K404 HydrophobicContact CG1-CB 3.88Å; V400-K404 HydrophobicContact CG1-CG 4.06Å; K401-K404 HydrophobicContact CB-CB 4.36Å; K401-K404 CarbonylContact O-C 3.59Å; K401-K404 WeakPolarHBondContact O-CA 3.46Å; K401-K404 WeakPolarHBondContact O-CB 3.25Å; K401-K404 PolarHBondContact O-N 2.96Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 3.24Å; K404-E407 WeakPolarHBondContact CD-OE2 3.39Å; K404-E407 IonicContact NZ-OE2 2.85Å; K404-E407 PolarHBondContact NZ-OE2 2.88Å; K404-E407 PolarHBondContact O-N 3.37Å; K404-I408 HydrophobicContact CG-CD1 4.13Å; K404-I408 WeakPolarHBondContact O-CD1 3.31Å; K404-I408 VanDerWaalsContact O-CG1 3.22Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 2.95Å |
| 405 | A | 87 | Confident | 82 | Confident | 18 Ų | 18 | 88.3 Ų | 88.3 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I393 V400 K401 L402 I408 I409 | I393-A405 HydrophobicContact CD1-CB 3.75Å; V400-A405 HydrophobicContact CG1-CB 4.07Å; K401-A405 PolarHBondContact O-N 3.23Å; L402-A405 PolarHBondContact O-N 2.94Å; A405-I408 PolarHBondContact O-N 2.93Å; A405-I409 VanDerWaalsContact O-CG1 3.29Å; A405-I409 WeakPolarHBondContact O-CG1 3.5Å; A405-I409 PolarHBondContact O-N 3.14Å |
| 406 | V | 87.2 | Confident | 80.5 | Confident | 16 Ų | 16 | 88.4 Ų | 88.4 | 10% | 0.097 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | M387 L402 I409 F410 W436 Y440 | M387-V406 HydrophobicContact CE-CB 4.2Å; M387-V406 HydrophobicContact CE-CG1 4.02Å; M387-V406 HydrophobicContact CE-CG2 3.43Å; M387-V406 VanDerWaalsContact CE-CG2 3.43Å; M387-V406 HydrophobicContact SD-CG1 4.45Å; M387-V406 HydrophobicContact SD-CG2 4.18Å; L402-V406 HydrophobicContact CD1-CG2 4.19Å; L402-V406 HydrophobicContact CG-CG2 4.39Å; L402-V406 WeakPolarHBondContact O-CG2 3.45Å; L402-V406 PolarHBondContact O-N 3.38Å; V406-I409 PolarHBondContact O-N 2.93Å; V406-F410 VanDerWaalsContact O-CB 3.24Å; V406-F410 WeakPolarHBondContact O-CB 3.32Å; V406-F410 PolarHBondContact O-N 3.06Å; V406-W436 HydrophobicContact CG1-CH2 4.48Å; V406-Y440 HydrophobicContact CG1-CD2 4.08Å; V406-Y440 HydrophobicContact CG1-CE2 4.12Å |
| 407 | E | 85.1 | Confident | 79 | Confident | 49 Ų | 49 | 87.7 Ų | 87.7 | 23% | 0.229 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 172.7 | 174 | 176.6 | -140.8 | 0 | 0 | 112.1 | Q403 K404 F410 N411 Y440 | Q403-E407 WeakPolarHBondContact O-CB 3.21Å; Q403-E407 PolarHBondContact O-N 3.31Å; K404-E407 WeakPolarHBondContact CD-OE2 3.39Å; K404-E407 IonicContact NZ-OE2 2.85Å; K404-E407 PolarHBondContact NZ-OE2 2.88Å; K404-E407 PolarHBondContact O-N 3.37Å; E407-F410 PolarHBondContact O-N 3.38Å; E407-N411 WeakPolarHBondContact O-CB 3.33Å; E407-N411 VanDerWaalsContact O-CG 3.25Å; E407-N411 PolarHBondContact O-N 3.06Å; E407-N411 PolarHBondContact O-ND2 3.5Å; E407-Y440 WeakPolarHBondContact CA-OH 3.3Å; E407-Y440 WeakPolarHBondContact CB-OH 3.46Å; E407-Y440 VanDerWaalsContact CG-OH 3.32Å; E407-Y440 WeakPolarHBondContact CG-OH 3.26Å |
| 408 | I | 82.6 | Confident | 77.9 | Confident | 92 Ų | 92 | 81 Ų | 81 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 176.3 | -70.4 | 162.5 | 0 | 0 | 0 | 110.3 | K404 A405 F410 N411 W412 | K404-I408 HydrophobicContact CG-CD1 4.13Å; K404-I408 WeakPolarHBondContact O-CD1 3.31Å; K404-I408 VanDerWaalsContact O-CG1 3.22Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 2.95Å; A405-I408 PolarHBondContact O-N 2.93Å; I408-F410 VanDerWaalsContact C-N 3.26Å; I408-F410 PolarHBondContact O-N 3.21Å; I408-N411 PolarHBondContact O-N 2.78Å; I408-W412 WeakPolarHBondContact O-CB 3.44Å; I408-W412 PolarHBondContact O-N 3.44Å |
| 409 | I | 82.1 | Confident | 76.7 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 177.3 | -67.4 | 164.8 | 0 | 0 | 0 | 110.2 | A405 V406 S413 W436 | A405-I409 VanDerWaalsContact O-CG1 3.29Å; A405-I409 WeakPolarHBondContact O-CG1 3.5Å; A405-I409 PolarHBondContact O-N 3.14Å; V406-I409 PolarHBondContact O-N 2.93Å; I409-S413 WeakPolarHBondContact O-CB 3.48Å; I409-S413 PolarHBondContact O-N 3.07Å; I409-S413 PolarHBondContact O-OG 3.24Å; I409-W436 HydrophobicContact CG2-CZ2 4.26Å |
| 410 | F | 82.3 | Confident | 75.3 | Confident | 12 Ų | 12 | 78.4 Ų | 78.4 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 177.6 | -178.9 | -96.3 | 0 | 0 | 0 | 112.3 | V406 E407 I408 S413 R414 W436 C437 Y440 | V406-F410 VanDerWaalsContact O-CB 3.24Å; V406-F410 WeakPolarHBondContact O-CB 3.32Å; V406-F410 PolarHBondContact O-N 3.06Å; E407-F410 PolarHBondContact O-N 3.38Å; I408-F410 VanDerWaalsContact C-N 3.26Å; I408-F410 PolarHBondContact O-N 3.21Å; F410-S413 WeakPolarHBondContact CA-OG 3.27Å; F410-S413 PolarHBondContact O-N 3.49Å; F410-S413 PolarHBondContact O-OG 3.23Å; F410-R414 VanDerWaalsContact CE1-CD 3.49Å; F410-R414 HydrophobicContact CE1-CG 4.02Å; F410-R414 HydrophobicContact CZ-CG 4.13Å; F410-R414 PolarHBondContact O-N 3.44Å; F410-R414 VanDerWaalsContact O-N 3.07Å; F410-W436 AromaticContact CD2-NE1 3.64Å; F410-C437 HydrophobicContact CE2-CB 4.49Å; F410-Y440 HydrophobicContact CB-CD1 4.28Å; F410-Y440 HydrophobicContact CB-CD2 3.87Å; F410-Y440 HydrophobicContact CB-CE1 4.18Å; F410-Y440 HydrophobicContact CB-CE2 3.76Å; F410-Y440 HydrophobicContact CB-CG 4.12Å; F410-Y440 AromaticContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD2 4.4Å; F410-Y440 AromaticContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE2 4.27Å; F410-Y440 AromaticContact CD1-CG 3.95Å; F410-Y440 HydrophobicContact CD1-CG 3.95Å; F410-Y440 AromaticContact CD1-CZ 3.65Å; F410-Y440 AromaticContact CD2-CD1 3.52Å; F410-Y440 HydrophobicContact CD2-CD1 3.52Å; F410-Y440 AromaticContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CE1 4.16Å; F410-Y440 AromaticContact CD2-CG 3.39Å; F410-Y440 HydrophobicContact CD2-CG 3.39Å; F410-Y440 AromaticContact CE1-CD1 3.29Å; F410-Y440 HydrophobicContact CE1-CD1 3.29Å; F410-Y440 AromaticContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CG 4.21Å; F410-Y440 AromaticContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CE1 4.41Å; F410-Y440 AromaticContact CE2-CG 3.74Å; F410-Y440 HydrophobicContact CE2-CG 3.74Å; F410-Y440 AromaticContact CG-CD1 3.38Å; F410-Y440 HydrophobicContact CG-CD1 3.38Å; F410-Y440 AromaticContact CG-CD2 3.79Å; F410-Y440 HydrophobicContact CG-CD2 3.79Å; F410-Y440 AromaticContact CG-CE1 3.52Å; F410-Y440 HydrophobicContact CG-CE1 3.52Å; F410-Y440 AromaticContact CG-CE2 3.93Å; F410-Y440 HydrophobicContact CG-CE2 3.93Å; F410-Y440 AromaticContact CG-CG 3.51Å; F410-Y440 HydrophobicContact CG-CG 3.51Å; F410-Y440 AromaticContact CG-CZ 3.79Å; F410-Y440 AromaticContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CD1 3.45Å; F410-Y440 VanDerWaalsContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CE1 4.06Å; F410-Y440 HydrophobicContact CZ-CG 4.12Å |
| 411 | N | 80.3 | Confident | 74.1 | Confident | 60 Ų | 60 | 78.6 Ų | 78.6 | 32% | 0.321 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.8 | -71 | -19 | 0 | 0 | 0 | 111.3 | E407 I408 S413 R414 E415 | E407-N411 WeakPolarHBondContact O-CB 3.33Å; E407-N411 VanDerWaalsContact O-CG 3.25Å; E407-N411 PolarHBondContact O-N 3.06Å; E407-N411 PolarHBondContact O-ND2 3.5Å; I408-N411 PolarHBondContact O-N 2.78Å; N411-S413 VanDerWaalsContact C-N 3.3Å; N411-S413 PolarHBondContact O-N 3.32Å; N411-R414 WeakPolarHBondContact O-CA 3.34Å; N411-R414 WeakPolarHBondContact O-CB 3.46Å; N411-R414 PolarHBondContact O-N 3.45Å; N411-E415 PolarHBondContact O-N 3.04Å |
| 412 | W | 76 | Confident | 72.5 | Confident | 136 Ų | 136 | 75 Ų | 75 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 173 | -176.2 | 71.6 | 0 | 0 | 0 | 111.2 | I408 R414 E415 Y416 | I408-W412 WeakPolarHBondContact O-CB 3.44Å; I408-W412 PolarHBondContact O-N 3.44Å; W412-R414 PolarHBondContact O-N 3.02Å; W412-E415 PolarHBondContact O-N 3.18Å; W412-Y416 AromaticContact CD2-CE2 3.9Å; W412-Y416 HydrophobicContact CD2-CE2 3.9Å; W412-Y416 AromaticContact CE2-CE2 3.59Å; W412-Y416 HydrophobicContact CE3-CE2 4.02Å; W412-Y416 AromaticContact CH2-CE2 3.61Å; W412-Y416 HydrophobicContact CH2-CE2 3.61Å; W412-Y416 AromaticContact CH2-CZ 3.94Å; W412-Y416 WeakPolarHBondContact CH2-OH 3.5Å; W412-Y416 AromaticContact CZ2-CE2 3.47Å; W412-Y416 HydrophobicContact CZ2-CE2 3.47Å; W412-Y416 VanDerWaalsContact CZ2-CE2 3.47Å; W412-Y416 AromaticContact CZ2-CZ 3.72Å; W412-Y416 WeakPolarHBondContact CZ2-OH 3.37Å; W412-Y416 AromaticContact CZ3-CE2 3.87Å; W412-Y416 HydrophobicContact CZ3-CE2 3.87Å; W412-Y416 WeakPolarHBondContact O-CD2 3.3Å; W412-Y416 PolarHBondContact O-N 3.08Å |
| 413 | S | 76.3 | Confident | 71.2 | Confident | 6 Ų | 6 | 75.9 Ų | 75.9 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -21.5 | 175.1 | 73.6 | 0 | 0 | 0 | 0 | 114.2 | I409 F410 N411 | I409-S413 WeakPolarHBondContact O-CB 3.48Å; I409-S413 PolarHBondContact O-N 3.07Å; I409-S413 PolarHBondContact O-OG 3.24Å; F410-S413 WeakPolarHBondContact CA-OG 3.27Å; F410-S413 PolarHBondContact O-N 3.49Å; F410-S413 PolarHBondContact O-OG 3.23Å; N411-S413 VanDerWaalsContact C-N 3.3Å; N411-S413 PolarHBondContact O-N 3.32Å |
| 414 | R | 72 | Confident | 70.3 | Confident | 169 Ų | 169 | 79.7 Ų | 79.7 | 64% | 0.638 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -84.9 | -31.8 | 174.3 | -78.6 | -168 | 66.6 | -175.7 | 0.5 | 113.3 | F410 N411 W412 Y416 | F410-R414 VanDerWaalsContact CE1-CD 3.49Å; F410-R414 HydrophobicContact CE1-CG 4.02Å; F410-R414 HydrophobicContact CZ-CG 4.13Å; F410-R414 PolarHBondContact O-N 3.44Å; F410-R414 VanDerWaalsContact O-N 3.07Å; N411-R414 WeakPolarHBondContact O-CA 3.34Å; N411-R414 WeakPolarHBondContact O-CB 3.46Å; N411-R414 PolarHBondContact O-N 3.45Å; W412-R414 PolarHBondContact O-N 3.02Å; R414-Y416 PolarHBondContact O-N 3.33Å |
| 415 | E | 65.7 | Low | 68.9 | Low | 148 Ų | 148 | 80.6 Ų | 80.6 | 69% | 0.692 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -73.2 | -13 | 179.6 | -74.8 | 177 | -168.8 | 0 | 0 | 112.6 | N411 W412 T417 | N411-E415 PolarHBondContact O-N 3.04Å; W412-E415 PolarHBondContact O-N 3.18Å; E415-T417 VanDerWaalsContact C-N 3.33Å; E415-T417 PolarHBondContact O-N 2.99Å |
| 416 | Y | 50 | Low | 67.8 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -59.6 | 99.3 | 160.4 | -83.1 | -83 | 0 | 0 | 0 | 109.3 | W412 R414 T418 E425 | W412-Y416 AromaticContact CD2-CE2 3.9Å; W412-Y416 HydrophobicContact CD2-CE2 3.9Å; W412-Y416 AromaticContact CE2-CE2 3.59Å; W412-Y416 HydrophobicContact CE3-CE2 4.02Å; W412-Y416 AromaticContact CH2-CE2 3.61Å; W412-Y416 HydrophobicContact CH2-CE2 3.61Å; W412-Y416 AromaticContact CH2-CZ 3.94Å; W412-Y416 WeakPolarHBondContact CH2-OH 3.5Å; W412-Y416 AromaticContact CZ2-CE2 3.47Å; W412-Y416 HydrophobicContact CZ2-CE2 3.47Å; W412-Y416 VanDerWaalsContact CZ2-CE2 3.47Å; W412-Y416 AromaticContact CZ2-CZ 3.72Å; W412-Y416 WeakPolarHBondContact CZ2-OH 3.37Å; W412-Y416 AromaticContact CZ3-CE2 3.87Å; W412-Y416 HydrophobicContact CZ3-CE2 3.87Å; W412-Y416 WeakPolarHBondContact O-CD2 3.3Å; W412-Y416 PolarHBondContact O-N 3.08Å; R414-Y416 PolarHBondContact O-N 3.33Å; Y416-T418 PolarHBondContact O-N 3.02Å; Y416-E425 WeakPolarHBondContact CE1-OE2 3.3Å |
| 417 | T | 39.2 | Very low | 66.5 | Low | 110 Ų | 110 | 86.7 Ų | 86.7 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -57.9 | 106.9 | -173.1 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | E415 S421 | E415-T417 VanDerWaalsContact C-N 3.33Å; E415-T417 PolarHBondContact O-N 2.99Å; T417-S421 VanDerWaalsContact O-CB 3.29Å; T417-S421 WeakPolarHBondContact O-CB 3.48Å; T417-S421 PolarHBondContact O-OG 2.83Å |
| 418 | T | 57 | Low | 65.4 | Low | 89 Ų | 89 | 85.2 Ų | 85.2 | 55% | 0.546 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 78.6 | 133.8 | -173.9 | 80.8 | 0 | 0 | 0 | 0 | 115 | Y416 K420 S421 Y422 | Y416-T418 PolarHBondContact O-N 3.02Å; T418-K420 PolarHBondContact O-N 3.49Å; T418-S421 PolarHBondContact O-N 2.79Å; T418-S421 PolarHBondContact OG1-N 2.94Å; T418-S421 PolarHBondContact OG1-OG 2.9Å; T418-Y422 PolarHBondContact O-N 3.3Å |
| 419 | T | 58.5 | Low | 64.9 | Low | 68 Ų | 68 | 84.5 Ų | 84.5 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -45.7 | -35.8 | 166.2 | -47.2 | 0 | 0 | 0 | 0 | 110.7 | S421 Y422 L423 F433 | T419-S421 PolarHBondContact O-N 3.36Å; T419-Y422 PolarHBondContact O-N 3.07Å; T419-L423 HydrophobicContact CG2-CD1 3.8Å; T419-L423 HydrophobicContact CG2-CG 4.1Å; T419-L423 WeakPolarHBondContact O-CB 3.39Å; T419-L423 WeakPolarHBondContact O-CG 3.14Å; T419-L423 PolarHBondContact O-N 3.29Å; T419-F433 HydrophobicContact CG2-CD1 3.83Å; T419-F433 HydrophobicContact CG2-CE1 4.14Å |
| 420 | K | 59.9 | Low | 64.3 | Low | 169 Ų | 169 | 83.8 Ų | 83.8 | 74% | 0.735 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.5 | -41.9 | 178.5 | -164.1 | 179.4 | -179.6 | -176.3 | 0 | 113 | T418 L423 H424 | T418-K420 PolarHBondContact O-N 3.49Å; K420-L423 PolarHBondContact O-N 2.85Å; K420-H424 WeakPolarHBondContact O-CB 3.38Å; K420-H424 PolarHBondContact O-N 3.37Å |
| 421 | S | 60.7 | Low | 63.8 | Low | 39 Ų | 39 | 88.2 Ų | 88.2 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | T417 T418 T419 L423 H424 E425 | T417-S421 VanDerWaalsContact O-CB 3.29Å; T417-S421 WeakPolarHBondContact O-CB 3.48Å; T417-S421 PolarHBondContact O-OG 2.83Å; T418-S421 PolarHBondContact O-N 2.79Å; T418-S421 PolarHBondContact OG1-N 2.94Å; T418-S421 PolarHBondContact OG1-OG 2.9Å; T419-S421 PolarHBondContact O-N 3.36Å; S421-L423 VanDerWaalsContact C-N 3.34Å; S421-L423 PolarHBondContact O-N 2.82Å; S421-H424 PolarHBondContact O-N 3.36Å; S421-E425 WeakPolarHBondContact O-CB 3.46Å; S421-E425 WeakPolarHBondContact O-CG 3.32Å; S421-E425 PolarHBondContact O-N 2.98Å |
| 422 | Y | 58.6 | Low | 63.1 | Low | 52 Ų | 52 | 86 Ų | 86 | 20% | 0.204 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 173.3 | -178.9 | -91.3 | 0 | 0 | 0 | 111.6 | T418 T419 Q426 A428 F433 | T418-Y422 PolarHBondContact O-N 3.3Å; T419-Y422 PolarHBondContact O-N 3.07Å; Y422-Q426 HydrophobicContact CD2-CG 4.15Å; Y422-Q426 HydrophobicContact CE2-CG 3.98Å; Y422-Q426 VanDerWaalsContact O-CB 3.26Å; Y422-Q426 WeakPolarHBondContact O-CB 3.49Å; Y422-Q426 PolarHBondContact O-N 3.43Å; Y422-A428 HydrophobicContact CD1-CB 4.17Å; Y422-A428 HydrophobicContact CE1-CB 3.63Å; Y422-F433 HydrophobicContact CD1-CB 4.18Å; Y422-F433 AromaticContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CE2 4.24Å; Y422-F433 HydrophobicContact CD1-CG 4.09Å; Y422-F433 HydrophobicContact CD2-CD2 4.48Å; Y422-F433 HydrophobicContact CE1-CB 4.07Å; Y422-F433 AromaticContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CE2 4.49Å; Y422-F433 HydrophobicContact CE1-CG 4.23Å; Y422-F433 HydrophobicContact CE2-CD2 4.5Å; Y422-F433 HydrophobicContact CG-CD2 4.04Å; Y422-F433 HydrophobicContact CG-CE2 4.26Å |
| 423 | L | 60.2 | Low | 62.8 | Low | 43 Ų | 43 | 80.6 Ų | 80.6 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 178.9 | -65.4 | 176 | 0 | 0 | 0 | 112.5 | T419 K420 S421 A427 A428 S430 | T419-L423 HydrophobicContact CG2-CD1 3.8Å; T419-L423 HydrophobicContact CG2-CG 4.1Å; T419-L423 WeakPolarHBondContact O-CB 3.39Å; T419-L423 WeakPolarHBondContact O-CG 3.14Å; T419-L423 PolarHBondContact O-N 3.29Å; K420-L423 PolarHBondContact O-N 2.85Å; S421-L423 VanDerWaalsContact C-N 3.34Å; S421-L423 PolarHBondContact O-N 2.82Å; L423-A427 WeakPolarHBondContact O-CA 2.94Å; L423-A427 PolarHBondContact O-N 3.25Å; L423-A428 HydrophobicContact CD2-CB 4.28Å; L423-A428 WeakPolarHBondContact CD2-O 3.12Å; L423-A428 PolarHBondContact O-N 2.69Å; L423-S430 VanDerWaalsContact CD2-CA 3.45Å |
| 424 | H | 66.1 | Low | 62.7 | Low | 161 Ų | 161 | 83.8 Ų | 83.8 | 75% | 0.745 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.2 | -45.1 | 179.8 | -173.7 | -87.6 | 0 | 0 | 0 | 112.1 | K420 S421 | K420-H424 WeakPolarHBondContact O-CB 3.38Å; K420-H424 PolarHBondContact O-N 3.37Å; S421-H424 PolarHBondContact O-N 3.36Å |
| 425 | E | 60.3 | Low | 62.9 | Low | 119 Ų | 119 | 77.7 Ų | 77.7 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -77.6 | -35.3 | -177.1 | -72.2 | -178.3 | -175.4 | 0 | 0 | 113.4 | Y416 S421 | Y416-E425 WeakPolarHBondContact CE1-OE2 3.3Å; S421-E425 WeakPolarHBondContact O-CB 3.46Å; S421-E425 WeakPolarHBondContact O-CG 3.32Å; S421-E425 PolarHBondContact O-N 2.98Å |
| 426 | Q | 62.7 | Low | 63.2 | Low | 78 Ų | 78 | 73.6 Ų | 73.6 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -96.7 | 2.2 | -175.1 | -62.8 | -66.1 | -25.4 | 0 | 0 | 113.7 | Y422 A428 | Y422-Q426 HydrophobicContact CD2-CG 4.15Å; Y422-Q426 HydrophobicContact CE2-CG 3.98Å; Y422-Q426 VanDerWaalsContact O-CB 3.26Å; Y422-Q426 WeakPolarHBondContact O-CB 3.49Å; Y422-Q426 PolarHBondContact O-N 3.43Å; Q426-A428 HydrophobicContact CB-CB 4.06Å; Q426-A428 PolarHBondContact O-N 3.3Å |
| 427 | A | 60.2 | Low | 64.6 | Low | 83 Ų | 83 | 72 Ų | 72 | 69% | 0.686 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 37.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L423 | L423-A427 WeakPolarHBondContact O-CA 2.94Å; L423-A427 PolarHBondContact O-N 3.25Å |
| 428 | A | 62.3 | Low | 66.3 | Low | 18 Ų | 18 | 75.9 Ų | 75.9 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | trans | -90.3 | 147.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y422 L423 Q426 | Y422-A428 HydrophobicContact CD1-CB 4.17Å; Y422-A428 HydrophobicContact CE1-CB 3.63Å; L423-A428 HydrophobicContact CD2-CB 4.28Å; L423-A428 WeakPolarHBondContact CD2-O 3.12Å; L423-A428 PolarHBondContact O-N 2.69Å; Q426-A428 HydrophobicContact CB-CB 4.06Å; Q426-A428 PolarHBondContact O-N 3.3Å | ||
| 429 | D | 73 | Confident | 67.2 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | trans | -75.8 | 139.9 | 169.8 | -179.9 | 3 | 0 | 0 | 0 | 110 | H431 A432 F433 | D429-H431 PolarHBondContact O-N 2.98Å; D429-H431 VanDerWaalsContact O-N 3.16Å; D429-H431 PolarHBondContact OD1-N 2.92Å; D429-H431 WeakPolarHBondContact OD2-CB 3.49Å; D429-A432 HydrophobicContact CB-CB 4.34Å; D429-A432 VanDerWaalsContact O-CB 3.31Å; D429-A432 WeakPolarHBondContact O-CB 3.31Å; D429-A432 PolarHBondContact O-N 2.91Å; D429-F433 PolarHBondContact O-N 3.01Å | ||
| 430 | S | 69.9 | Low | 68.2 | Low | 61 Ų | 61 | 75.6 Ų | 75.6 | 43% | 0.427 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -47.6 | -38.7 | 170.6 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | L423 C434 | L423-S430 VanDerWaalsContact CD2-CA 3.45Å; S430-C434 PolarHBondContact O-N 3.41Å; S430-C434 PolarHBondContact O-SG 3.25Å |
| 431 | H | 69.9 | Low | 69 | Low | 104 Ų | 104 | 71.2 Ų | 71.2 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.8 | -175.9 | -105.3 | 0 | 0 | 0 | 112 | D429 C434 C435 | D429-H431 PolarHBondContact O-N 2.98Å; D429-H431 VanDerWaalsContact O-N 3.16Å; D429-H431 PolarHBondContact OD1-N 2.92Å; D429-H431 WeakPolarHBondContact OD2-CB 3.49Å; H431-C434 WeakPolarHBondContact O-CB 3.32Å; H431-C434 PolarHBondContact O-N 2.93Å; H431-C435 VanDerWaalsContact CE1-SG 3.52Å; H431-C435 WeakPolarHBondContact O-CB 3.42Å; H431-C435 PolarHBondContact O-N 2.94Å; H431-C435 PolarHBondContact O-SG 3.46Å |
| 432 | A | 65.6 | Low | 69.6 | Low | 13 Ų | 13 | 72.3 Ų | 72.3 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | M331 D429 C434 C435 W436 | M331-A432 VanDerWaalsContact CE-CA 3.47Å; M331-A432 HydrophobicContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-CB 3.49Å; M331-A432 VanDerWaalsContact CE-O 3.27Å; M331-A432 WeakPolarHBondContact CE-O 3.48Å; M331-A432 HydrophobicContact CG-CB 3.81Å; M331-A432 HydrophobicContact SD-CB 3.28Å; M331-A432 WeakPolarHBondContact SD-CB 3.32Å; D429-A432 HydrophobicContact CB-CB 4.34Å; D429-A432 VanDerWaalsContact O-CB 3.31Å; D429-A432 WeakPolarHBondContact O-CB 3.31Å; D429-A432 PolarHBondContact O-N 2.91Å; A432-C434 VanDerWaalsContact C-N 3.33Å; A432-C434 PolarHBondContact O-N 3.47Å; A432-C435 PolarHBondContact O-N 2.69Å; A432-W436 PolarHBondContact O-N 3.22Å |
| 433 | F | 70.9 | Confident | 70.4 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 10% | 0.101 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.9 | -178.3 | -101.6 | 0 | 0 | 0 | 112.1 | T419 Y422 D429 C435 W436 C437 | T419-F433 HydrophobicContact CG2-CD1 3.83Å; T419-F433 HydrophobicContact CG2-CE1 4.14Å; Y422-F433 HydrophobicContact CD1-CB 4.18Å; Y422-F433 AromaticContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CD2 3.57Å; Y422-F433 HydrophobicContact CD1-CE2 4.24Å; Y422-F433 HydrophobicContact CD1-CG 4.09Å; Y422-F433 HydrophobicContact CD2-CD2 4.48Å; Y422-F433 HydrophobicContact CE1-CB 4.07Å; Y422-F433 AromaticContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CD2 3.6Å; Y422-F433 HydrophobicContact CE1-CE2 4.49Å; Y422-F433 HydrophobicContact CE1-CG 4.23Å; Y422-F433 HydrophobicContact CE2-CD2 4.5Å; Y422-F433 HydrophobicContact CG-CD2 4.04Å; Y422-F433 HydrophobicContact CG-CE2 4.26Å; D429-F433 PolarHBondContact O-N 3.01Å; F433-C435 PolarHBondContact O-N 3.37Å; F433-W436 PolarHBondContact O-N 3.09Å; F433-C437 WeakPolarHBondContact O-CB 3.28Å; F433-C437 PolarHBondContact O-N 3.33Å; F433-C437 PolarHBondContact O-SG 3.43Å |
| 434 | C | 73.7 | Confident | 71.2 | Confident | 73 Ų | 73 | 78.1 Ų | 78.1 | 49% | 0.493 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.3 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | S430 H431 A432 C437 R438 | S430-C434 PolarHBondContact O-N 3.41Å; S430-C434 PolarHBondContact O-SG 3.25Å; H431-C434 WeakPolarHBondContact O-CB 3.32Å; H431-C434 PolarHBondContact O-N 2.93Å; A432-C434 VanDerWaalsContact C-N 3.33Å; A432-C434 PolarHBondContact O-N 3.47Å; C434-C437 PolarHBondContact O-N 3.26Å; C434-R438 WeakPolarHBondContact O-CB 3.47Å; C434-R438 PolarHBondContact O-N 3.48Å |
| 435 | C | 76.3 | Confident | 71.6 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 28% | 0.284 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.2 | -78.6 | 0 | 0 | 0 | 0 | 111.8 | M331 H431 A432 F433 R438 Q439 | M331-C435 HydrophobicContact CE-CB 4.35Å; H431-C435 VanDerWaalsContact CE1-SG 3.52Å; H431-C435 WeakPolarHBondContact O-CB 3.42Å; H431-C435 PolarHBondContact O-N 2.94Å; H431-C435 PolarHBondContact O-SG 3.46Å; A432-C435 PolarHBondContact O-N 2.69Å; F433-C435 PolarHBondContact O-N 3.37Å; C435-R438 PolarHBondContact O-N 3.32Å; C435-Q439 WeakPolarHBondContact O-CG 3.49Å; C435-Q439 PolarHBondContact O-N 2.83Å |
| 436 | W | 72.5 | Confident | 72 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.2 | -49.1 | 173.8 | 177 | -113.2 | 0 | 0 | 0 | 111.5 | V406 I409 F410 A432 F433 R438 Q439 Y440 | V406-W436 HydrophobicContact CG1-CH2 4.48Å; I409-W436 HydrophobicContact CG2-CZ2 4.26Å; F410-W436 AromaticContact CD2-NE1 3.64Å; A432-W436 PolarHBondContact O-N 3.22Å; F433-W436 PolarHBondContact O-N 3.09Å; W436-R438 PolarHBondContact O-N 3.48Å; W436-Q439 PolarHBondContact O-N 3.43Å; W436-Y440 PolarHBondContact O-N 3.49Å |
| 437 | C | 78.5 | Confident | 71.3 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 19% | 0.189 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 176.9 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | F410 F433 C434 Y440 V441 | F410-C437 HydrophobicContact CE2-CB 4.49Å; F433-C437 WeakPolarHBondContact O-CB 3.28Å; F433-C437 PolarHBondContact O-N 3.33Å; F433-C437 PolarHBondContact O-SG 3.43Å; C434-C437 PolarHBondContact O-N 3.26Å; C437-Y440 PolarHBondContact O-N 3.3Å; C437-V441 WeakPolarHBondContact O-CB 3.47Å; C437-V441 VanDerWaalsContact O-CG2 3.27Å; C437-V441 WeakPolarHBondContact O-CG2 3.34Å; C437-V441 PolarHBondContact O-N 2.99Å |
| 438 | R | 75.9 | Confident | 70.9 | Confident | 192 Ų | 192 | 83.4 Ų | 83.4 | 73% | 0.725 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 179.1 | -171.8 | 177.2 | -178.5 | -177 | 0.4 | 111.6 | C434 C435 W436 V441 C442 | C434-R438 WeakPolarHBondContact O-CB 3.47Å; C434-R438 PolarHBondContact O-N 3.48Å; C435-R438 PolarHBondContact O-N 3.32Å; W436-R438 PolarHBondContact O-N 3.48Å; R438-V441 PolarHBondContact O-N 3Å; R438-C442 WeakPolarHBondContact O-CB 3.43Å; R438-C442 PolarHBondContact O-N 3.48Å; R438-C442 PolarHBondContact O-SG 3.43Å |
| 439 | Q | 75.7 | Confident | 70.1 | Confident | 136 Ų | 136 | 90.8 Ų | 90.8 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 178.4 | -74.7 | -177.9 | 0.6 | 0 | 0 | 111.8 | C435 W436 C442 F443 | C435-Q439 WeakPolarHBondContact O-CG 3.49Å; C435-Q439 PolarHBondContact O-N 2.83Å; W436-Q439 PolarHBondContact O-N 3.43Å; Q439-C442 PolarHBondContact O-N 2.95Å; Q439-F443 WeakPolarHBondContact O-CB 3.26Å; Q439-F443 PolarHBondContact O-N 3.43Å |
| 440 | Y | 78.6 | Confident | 68.6 | Low | 16 Ų | 16 | 98 Ų | 98 | 6% | 0.063 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 177.7 | -176 | -94.9 | 0 | 0 | 0 | 112.7 | V406 E407 F410 W436 C437 F443 R444 | V406-Y440 HydrophobicContact CG1-CD2 4.08Å; V406-Y440 HydrophobicContact CG1-CE2 4.12Å; E407-Y440 WeakPolarHBondContact CA-OH 3.3Å; E407-Y440 WeakPolarHBondContact CB-OH 3.46Å; E407-Y440 VanDerWaalsContact CG-OH 3.32Å; E407-Y440 WeakPolarHBondContact CG-OH 3.26Å; F410-Y440 HydrophobicContact CB-CD1 4.28Å; F410-Y440 HydrophobicContact CB-CD2 3.87Å; F410-Y440 HydrophobicContact CB-CE1 4.18Å; F410-Y440 HydrophobicContact CB-CE2 3.76Å; F410-Y440 HydrophobicContact CB-CG 4.12Å; F410-Y440 AromaticContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD1 3.29Å; F410-Y440 HydrophobicContact CD1-CD2 4.4Å; F410-Y440 AromaticContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE1 3.1Å; F410-Y440 HydrophobicContact CD1-CE2 4.27Å; F410-Y440 AromaticContact CD1-CG 3.95Å; F410-Y440 HydrophobicContact CD1-CG 3.95Å; F410-Y440 AromaticContact CD1-CZ 3.65Å; F410-Y440 AromaticContact CD2-CD1 3.52Å; F410-Y440 HydrophobicContact CD2-CD1 3.52Å; F410-Y440 AromaticContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CD2 3.97Å; F410-Y440 HydrophobicContact CD2-CE1 4.16Å; F410-Y440 AromaticContact CD2-CG 3.39Å; F410-Y440 HydrophobicContact CD2-CG 3.39Å; F410-Y440 AromaticContact CE1-CD1 3.29Å; F410-Y440 HydrophobicContact CE1-CD1 3.29Å; F410-Y440 AromaticContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CE1 3.38Å; F410-Y440 HydrophobicContact CE1-CG 4.21Å; F410-Y440 AromaticContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CD1 3.57Å; F410-Y440 HydrophobicContact CE2-CE1 4.41Å; F410-Y440 AromaticContact CE2-CG 3.74Å; F410-Y440 HydrophobicContact CE2-CG 3.74Å; F410-Y440 AromaticContact CG-CD1 3.38Å; F410-Y440 HydrophobicContact CG-CD1 3.38Å; F410-Y440 AromaticContact CG-CD2 3.79Å; F410-Y440 HydrophobicContact CG-CD2 3.79Å; F410-Y440 AromaticContact CG-CE1 3.52Å; F410-Y440 HydrophobicContact CG-CE1 3.52Å; F410-Y440 AromaticContact CG-CE2 3.93Å; F410-Y440 HydrophobicContact CG-CE2 3.93Å; F410-Y440 AromaticContact CG-CG 3.51Å; F410-Y440 HydrophobicContact CG-CG 3.51Å; F410-Y440 AromaticContact CG-CZ 3.79Å; F410-Y440 AromaticContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CD1 3.45Å; F410-Y440 VanDerWaalsContact CZ-CD1 3.45Å; F410-Y440 HydrophobicContact CZ-CE1 4.06Å; F410-Y440 HydrophobicContact CZ-CG 4.12Å; W436-Y440 PolarHBondContact O-N 3.49Å; C437-Y440 PolarHBondContact O-N 3.3Å; Y440-F443 WeakPolarHBondContact O-CB 3.38Å; Y440-F443 PolarHBondContact O-N 2.91Å; Y440-R444 PolarHBondContact O-N 3.46Å |
| 441 | V | 76.5 | Confident | 67.3 | Low | 77 Ų | 77 | 100.3 Ų | 100.3 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | C437 R438 F443 R444 T445 | C437-V441 WeakPolarHBondContact O-CB 3.47Å; C437-V441 VanDerWaalsContact O-CG2 3.27Å; C437-V441 WeakPolarHBondContact O-CG2 3.34Å; C437-V441 PolarHBondContact O-N 2.99Å; R438-V441 PolarHBondContact O-N 3Å; V441-F443 PolarHBondContact O-N 3.34Å; V441-R444 PolarHBondContact O-N 3.31Å; V441-T445 HydrophobicContact CG1-CG2 4.22Å; V441-T445 WeakPolarHBondContact O-CG2 3.03Å; V441-T445 PolarHBondContact O-N 3Å; V441-T445 PolarHBondContact O-OG1 2.89Å |
| 442 | C | 75.1 | Confident | 66 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 174.5 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | R438 Q439 Q446 | R438-C442 WeakPolarHBondContact O-CB 3.43Å; R438-C442 PolarHBondContact O-N 3.48Å; R438-C442 PolarHBondContact O-SG 3.43Å; Q439-C442 PolarHBondContact O-N 2.95Å; C442-Q446 WeakPolarHBondContact O-CG 3.44Å; C442-Q446 PolarHBondContact O-N 3.34Å |
| 443 | F | 74.6 | Confident | 65.2 | Low | 42 Ų | 42 | 105.9 Ų | 105.9 | 18% | 0.184 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.6 | 170.7 | -98 | 0 | 0 | 0 | 112.1 | M387 Q403 Q439 Y440 V441 | M387-F443 HydrophobicContact CB-CE2 3.98Å; M387-F443 HydrophobicContact CB-CZ 4.06Å; M387-F443 HydrophobicContact SD-CD2 4.33Å; M387-F443 HydrophobicContact SD-CE1 4.32Å; M387-F443 HydrophobicContact SD-CE2 3.75Å; M387-F443 HydrophobicContact SD-CZ 3.75Å; Q403-F443 HydrophobicContact CG-CE1 4.05Å; Q403-F443 HydrophobicContact CG-CZ 4.01Å; Q439-F443 WeakPolarHBondContact O-CB 3.26Å; Q439-F443 PolarHBondContact O-N 3.43Å; Y440-F443 WeakPolarHBondContact O-CB 3.38Å; Y440-F443 PolarHBondContact O-N 2.91Å; V441-F443 PolarHBondContact O-N 3.34Å |
| 444 | R | 77 | Confident | 63.9 | Low | 176 Ų | 176 | 113.3 Ų | 113.3 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.2 | -32 | -179.2 | -165.4 | -176.9 | -178.1 | -178.5 | 3.3 | 113 | Y440 V441 | Y440-R444 PolarHBondContact O-N 3.46Å; V441-R444 PolarHBondContact O-N 3.31Å |
| 445 | T | 74.5 | Confident | 62.7 | Low | 99 Ų | 99 | 120.7 Ų | 120.7 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -90.1 | -6.5 | -175.1 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | V441 P447 | V441-T445 HydrophobicContact CG1-CG2 4.22Å; V441-T445 WeakPolarHBondContact O-CG2 3.03Å; V441-T445 PolarHBondContact O-N 3Å; V441-T445 PolarHBondContact O-OG1 2.89Å; T445-P447 WeakPolarHBondContact O-CD 3.28Å |
| 446 | Q | 68.4 | Low | 61.2 | Low | 113 Ų | 113 | 122.4 Ų | 122.4 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -67.2 | 123.5 | 174.6 | -85 | -177.3 | 21.4 | 0 | 0 | 110.8 | C442 R448 | C442-Q446 WeakPolarHBondContact O-CG 3.44Å; C442-Q446 PolarHBondContact O-N 3.34Å; Q446-R448 PolarHBondContact O-N 3.45Å |
| 447 | P | 49.3 | Very low | 60.2 | Low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 62% | 0.617 | S | S | * | * | trans | -61.9 | 134.4 | 178.9 | -12 | 21.6 | 0 | 0 | 0 | 110.4 | T445 H449 | T445-P447 WeakPolarHBondContact O-CD 3.28Å; P447-H449 PolarHBondContact O-N 3.02Å | ||
| 448 | R | 51.5 | Low | 58.7 | Low | 230 Ų | 230 | 126.7 Ų | 126.7 | 87% | 0.868 | 64% | 0.641 | S | S | * | * | trans | -67.5 | 73.8 | 166.7 | -69.5 | -179.2 | 175.7 | 170.6 | -0.6 | 109.7 | Q446 | Q446-R448 PolarHBondContact O-N 3.45Š| ||
| 449 | H | 46 | Very low | 57.2 | Low | 173 Ų | 173 | 120.4 Ų | 120.4 | 80% | 0.801 | 63% | 0.63 | S | S | * | * | trans | -113.9 | 108.1 | 169.4 | -101 | -84.3 | 0 | 0 | 0 | 110.7 | P447 | P447-H449 PolarHBondContact O-N 3.02Š| ||
| 450 | R | 41.4 | Very low | 55.9 | Low | 230 Ų | 230 | 115.4 Ų | 115.4 | 87% | 0.868 | 61% | 0.61 | S | S | * | * | trans | -52.3 | 159.4 | 158.3 | -80.2 | 174.8 | 169.1 | 166.6 | -4.9 | 109.9 | ||||
| 451 | S | 41.6 | Very low | 54.2 | Low | 108 Ų | 108 | 122.6 Ų | 122.6 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 76 | 122.9 | 169.5 | 41.3 | 0 | 0 | 0 | 0 | 117.5 | V453 | S451-V453 PolarHBondContact O-N 2.87Š|
| 452 | A | 41.7 | Very low | 52.7 | Low | 107 Ų | 107 | 123.2 Ų | 123.2 | 88% | 0.884 | 65% | 0.645 | S | S | * | * | trans | -59.7 | 98.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 453 | V | 50.5 | Low | 51.6 | Low | 127 Ų | 127 | 129 Ų | 129 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -139 | 127.1 | 159.7 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | S451 | S451-V453 PolarHBondContact O-N 2.87Š| ||
| 454 | E | 42.5 | Very low | 50.4 | Low | 180 Ų | 180 | 135.1 Ų | 135.1 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | trans | -14.5 | 118.5 | -175.5 | -64.3 | 174.6 | 158.2 | 0 | 0 | 117 | P456 | E454-P456 VanDerWaalsContact O-CD 3.3Å; E454-P456 WeakPolarHBondContact O-CD 3.27Å | ||
| 455 | R | 47.7 | Very low | 49.4 | Very low | 227 Ų | 227 | 131 Ų | 131 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 118.9 | 163.4 | -97 | -177.8 | -178 | 142.6 | 1.5 | 108.3 | ||
| 456 | P | 45.3 | Very low | 48.5 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 51% | 0.506 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 145.4 | 167.2 | 32.2 | -33.5 | 0 | 0 | 0 | 108.4 | E454 A458 S460 | E454-P456 VanDerWaalsContact O-CD 3.3Å; E454-P456 WeakPolarHBondContact O-CD 3.27Å; P456-A458 PolarHBondContact O-N 3.28Å; P456-S460 WeakPolarHBondContact CB-OG 3.48Å |
| 457 | P | 51.4 | Low | 48 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 62% | 0.623 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 142.1 | -178.7 | 19.9 | -30 | 0 | 0 | 0 | 110.2 | A459 S460 | P457-A459 PolarHBondContact O-N 3.06Å; P457-S460 WeakPolarHBondContact O-CB 3.34Å; P457-S460 PolarHBondContact O-N 3.08Å; P457-S460 PolarHBondContact O-OG 2.88Å |
| 458 | A | 47 | Very low | 48.3 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -51.1 | -24 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | P456 S460 Y461 | P456-A458 PolarHBondContact O-N 3.28Å; A458-S460 VanDerWaalsContact C-N 3.28Å; A458-S460 PolarHBondContact O-N 3.5Å; A458-Y461 PolarHBondContact O-N 3.3Å |
| 459 | A | 45.4 | Very low | 48.9 | Very low | 60 Ų | 60 | 129.7 Ų | 129.7 | 50% | 0.496 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -60.7 | -29 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P457 R463 | P457-A459 PolarHBondContact O-N 3.06Å; A459-R463 PolarHBondContact O-N 3.09Å |
| 460 | S | 49.1 | Very low | 49.9 | Very low | 31 Ų | 31 | 126.1 Ų | 126.1 | 22% | 0.217 | 67% | 0.668 | C | S | . | * | H | α-helix | trans | -79.9 | -23.4 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | P456 P457 A458 R464 | P456-S460 WeakPolarHBondContact CB-OG 3.48Å; P457-S460 WeakPolarHBondContact O-CB 3.34Å; P457-S460 PolarHBondContact O-N 3.08Å; P457-S460 PolarHBondContact O-OG 2.88Å; A458-S460 VanDerWaalsContact C-N 3.28Å; A458-S460 PolarHBondContact O-N 3.5Å; S460-R464 PolarHBondContact O-N 3Å; S460-R464 PolarHBondContact O-NE 3.35Å |
| 461 | Y | 42.2 | Very low | 51.3 | Low | 167 Ų | 167 | 123 Ų | 123 | 66% | 0.655 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.3 | -44.2 | 175.8 | -173.2 | -96.7 | 0 | 0 | 0 | 110.4 | A458 R463 R464 V465 | A458-Y461 PolarHBondContact O-N 3.3Å; Y461-R463 VanDerWaalsContact C-N 3.29Å; Y461-R463 PolarHBondContact O-N 2.08Å; Y461-R464 PolarHBondContact O-N 2.74Å; Y461-V465 HydrophobicContact CD1-CG2 4.2Å; Y461-V465 HydrophobicContact CE1-CG2 3.86Å; Y461-V465 HydrophobicContact CE2-CG2 4.38Å; Y461-V465 WeakPolarHBondContact O-CG2 3.27Å; Y461-V465 PolarHBondContact O-N 2.94Å; Y461-V465 VanDerWaalsContact O-N 3.16Å |
| 462 | C | 45.1 | Very low | 52.8 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.7 | -34.2 | 176.6 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | G466 | C462-G466 PolarHBondContact O-N 3.44Å |
| 463 | R | 50.5 | Low | 54.7 | Low | 181 Ų | 181 | 117.6 Ų | 117.6 | 68% | 0.683 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.1 | -42 | 175.5 | -111 | -175.9 | -91.6 | 179.3 | -8.3 | 112.8 | A459 Y461 | A459-R463 PolarHBondContact O-N 3.09Å; Y461-R463 VanDerWaalsContact C-N 3.29Å; Y461-R463 PolarHBondContact O-N 2.08Å |
| 464 | R | 50.6 | Low | 56.4 | Low | 172 Ų | 172 | 113.3 Ų | 113.3 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.3 | -26 | -178.7 | -80.2 | -174.2 | -82.3 | -168 | -5.4 | 114.6 | S460 Y461 | S460-R464 PolarHBondContact O-N 3Å; S460-R464 PolarHBondContact O-NE 3.35Å; Y461-R464 PolarHBondContact O-N 2.74Å |
| 465 | V | 55 | Low | 58.4 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -84.4 | -20.6 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 112 | Y461 | Y461-V465 HydrophobicContact CD1-CG2 4.2Å; Y461-V465 HydrophobicContact CE1-CG2 3.86Å; Y461-V465 HydrophobicContact CE2-CG2 4.38Å; Y461-V465 WeakPolarHBondContact O-CG2 3.27Å; Y461-V465 PolarHBondContact O-N 2.94Å; Y461-V465 VanDerWaalsContact O-N 3.16Å |
| 466 | G | 56.3 | Low | 60.4 | Low | 66 Ų | 66 | 110.1 Ų | 110.1 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -81.6 | -11.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | C462 | C462-G466 PolarHBondContact O-N 3.44Š|
| 467 | E | 57.1 | Low | 62.1 | Low | 157 Ų | 157 | 112.8 Ų | 112.8 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -106.1 | -8.7 | -169.2 | -71 | 176.4 | -178.2 | 0 | 0 | 114.9 | ||
| 468 | R | 56.7 | Low | 63.5 | Low | 211 Ų | 211 | 114.8 Ų | 114.8 | 80% | 0.796 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -102.2 | 126.3 | 176.2 | -70.9 | -173.7 | 179.7 | -174.9 | -0.7 | 110.3 | V470 | R468-V470 PolarHBondContact O-N 3.44Š|
| 469 | P | 63.3 | Low | 65.3 | Low | 88 Ų | 88 | 114 Ų | 114 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | trans | -58.3 | 128.2 | 172.8 | 24.5 | -31.5 | 0 | 0 | 0 | 108.8 | Q471 | P469-Q471 PolarHBondContact O-N 3.16Š| ||
| 470 | V | 67 | Low | 67.1 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | trans | -71.5 | 114.8 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 106.5 | R468 L472 Y497 | R468-V470 PolarHBondContact O-N 3.44Å; V470-L472 HydrophobicContact CG1-CD2 4.33Å; V470-L472 PolarHBondContact O-N 2.63Å; V470-Y497 HydrophobicContact CB-CE1 4.29Å | ||
| 471 | Q | 72 | Confident | 68.8 | Low | 166 Ų | 166 | 121.6 Ų | 121.6 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -64.9 | 109 | 173.9 | -175.2 | 175.2 | 2.1 | 0 | 0 | 108.7 | P469 G473 | P469-Q471 PolarHBondContact O-N 3.16Å; Q471-G473 WeakPolarHBondContact CG-O 3.23Å; Q471-G473 PolarHBondContact NE2-O 2.96Å | ||
| 472 | L | 72.7 | Confident | 70.7 | Confident | 69 Ų | 69 | 118.2 Ų | 118.2 | 36% | 0.361 | 63% | 0.625 | S | S | . | * | trans | -97.1 | 104.8 | 173.4 | -70.2 | 172.1 | 0 | 0 | 0 | 108.1 | V470 L481 Y497 | V470-L472 HydrophobicContact CG1-CD2 4.33Å; V470-L472 PolarHBondContact O-N 2.63Å; L472-L481 HydrophobicContact CD1-CD2 3.85Å; L472-L481 HydrophobicContact CD2-CD2 4.47Å; L472-Y497 HydrophobicContact CD1-CD1 3.79Å; L472-Y497 HydrophobicContact CD1-CD2 4.19Å; L472-Y497 HydrophobicContact CD1-CE1 3.58Å; L472-Y497 HydrophobicContact CD1-CE2 3.98Å; L472-Y497 HydrophobicContact CD1-CG 4.12Å; L472-Y497 HydrophobicContact CD2-CE1 4.32Å; L472-Y497 HydrophobicContact CG-CE1 4.15Å | ||
| 473 | G | 81.4 | Confident | 72.3 | Confident | 32 Ų | 32 | 121 Ų | 121 | 33% | 0.33 | 63% | 0.629 | S | S | . | * | trans | 89 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q471 | Q471-G473 WeakPolarHBondContact CG-O 3.23Å; Q471-G473 PolarHBondContact NE2-O 2.96Å | ||
| 474 | G | 86.5 | Confident | 73.5 | Confident | 36 Ų | 36 | 114.1 Ų | 114.1 | 37% | 0.371 | 61% | 0.609 | S | S | . | * | trans | -153.5 | 171.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | G476 M477 | G474-G476 PolarHBondContact O-N 3.32Å; G474-M477 WeakPolarHBondContact O-CB 3.37Å; G474-M477 PolarHBondContact O-N 2.84Å | ||
| 475 | R | 84.2 | Confident | 74.6 | Confident | 262 Ų | 262 | 108.1 Ų | 108.1 | 99% | 0.989 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 123.5 | -177.4 | -168.2 | 177.3 | -176.7 | -170.6 | -0.1 | 110.7 | ||
| 476 | G | 88.8 | Confident | 75.8 | Confident | 78 Ų | 78 | 107.4 Ų | 107.4 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 11.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G474 | G474-G476 PolarHBondContact O-N 3.32Š|
| 477 | M | 82 | Confident | 76.8 | Confident | 134 Ų | 134 | 105.9 Ų | 105.9 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | trans | -103.3 | 126.3 | 175.2 | -64.5 | -72.8 | -169.9 | 0 | 0 | 110.6 | G474 | G474-M477 WeakPolarHBondContact O-CB 3.37Å; G474-M477 PolarHBondContact O-N 2.84Å | ||
| 478 | T | 80.9 | Confident | 77.3 | Confident | 139 Ų | 139 | 109.7 Ų | 109.7 | 85% | 0.853 | 57% | 0.568 | S | S | * | * | trans | -79 | 125.1 | 162.4 | -51.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 479 | V | 84.9 | Confident | 78 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 40% | 0.4 | 56% | 0.556 | S | S | . | * | trans | -111.2 | 118.4 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | L481 | V479-L481 HydrophobicContact CG1-CD2 4.05Å; V479-L481 HydrophobicContact CG1-CG 4.41Å | ||
| 480 | E | 83.2 | Confident | 78.5 | Confident | 189 Ų | 189 | 109.8 Ų | 109.8 | 88% | 0.883 | 56% | 0.562 | S | S | * | * | trans | -83.6 | 124.3 | 167.6 | -68.4 | -175.6 | 172.8 | 0 | 0 | 109.2 | ||||
| 481 | L | 85.3 | Confident | 78.8 | Confident | 63 Ų | 63 | 114.6 Ų | 114.6 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | trans | -104.1 | 122.8 | 175.1 | -65.4 | 173.6 | 0 | 0 | 0 | 109.1 | L472 V479 E483 L502 | L472-L481 HydrophobicContact CD1-CD2 3.85Å; L472-L481 HydrophobicContact CD2-CD2 4.47Å; V479-L481 HydrophobicContact CG1-CD2 4.05Å; V479-L481 HydrophobicContact CG1-CG 4.41Å; L481-E483 PolarHBondContact O-N 3.42Å; L481-L502 HydrophobicContact CD1-CD2 3.25Å | ||
| 482 | D | 80.7 | Confident | 78.9 | Confident | 96 Ų | 96 | 107.9 Ų | 107.9 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | trans | -60.7 | 118.5 | 168.5 | -179 | -7.4 | 0 | 0 | 0 | 108.6 | C484 L485 | D482-C484 PolarHBondContact O-N 3.37Å; D482-C484 VanDerWaalsContact OD1-CB 3.23Å; D482-C484 WeakPolarHBondContact OD1-CB 3.48Å; D482-C484 PolarHBondContact OD1-N 3.16Å; D482-C484 PolarHBondContact OD1-SG 3.47Å; D482-L485 HydrophobicContact CB-CD1 4.26Å; D482-L485 HydrophobicContact CB-CG 4.37Å; D482-L485 WeakPolarHBondContact O-CB 3.39Å; D482-L485 PolarHBondContact O-N 2.95Å | ||
| 483 | E | 78.5 | Confident | 78.5 | Confident | 148 Ų | 148 | 114.4 Ų | 114.4 | 69% | 0.692 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -52.6 | -26.4 | 178.6 | -166.4 | -172.6 | 173.4 | 0 | 0 | 112.1 | L481 L485 L486 S487 | L481-E483 PolarHBondContact O-N 3.42Å; E483-L485 PolarHBondContact O-N 2.94Å; E483-L486 WeakPolarHBondContact O-CB 3.48Å; E483-L486 PolarHBondContact O-N 3.08Å; E483-S487 PolarHBondContact O-N 3.13Å; E483-S487 PolarHBondContact O-OG 3.39Å |
| 484 | C | 76.5 | Confident | 78.1 | Confident | 37 Ų | 37 | 122.2 Ų | 122.2 | 25% | 0.25 | 59% | 0.588 | C | S | . | * | G | 310 helix | trans | -57.2 | -36.3 | 173.9 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | D482 L486 S487 N492 | D482-C484 PolarHBondContact O-N 3.37Å; D482-C484 VanDerWaalsContact OD1-CB 3.23Å; D482-C484 WeakPolarHBondContact OD1-CB 3.48Å; D482-C484 PolarHBondContact OD1-N 3.16Å; D482-C484 PolarHBondContact OD1-SG 3.47Å; C484-L486 PolarHBondContact O-N 3.13Å; C484-S487 PolarHBondContact O-N 3.13Å; C484-S487 PolarHBondContact O-OG 3.05Å; C484-N492 PolarHBondContact O-ND2 3.28Å |
| 485 | L | 74 | Confident | 77.3 | Confident | 45 Ų | 45 | 127.8 Ų | 127.8 | 24% | 0.236 | 60% | 0.602 | C | S | . | * | G | 310 helix | trans | -70.8 | -13.1 | -179.2 | -61 | 171 | 0 | 0 | 0 | 113.4 | D482 E483 Y497 | D482-L485 HydrophobicContact CB-CD1 4.26Å; D482-L485 HydrophobicContact CB-CG 4.37Å; D482-L485 WeakPolarHBondContact O-CB 3.39Å; D482-L485 PolarHBondContact O-N 2.95Å; E483-L485 PolarHBondContact O-N 2.94Å; L485-Y497 HydrophobicContact CB-CD2 3.87Å; L485-Y497 HydrophobicContact CB-CE2 4Å; L485-Y497 HydrophobicContact CD1-CE2 3.83Å; L485-Y497 HydrophobicContact CG-CE2 4.37Å; L485-Y497 PolarHBondContact O-N 2.7Å |
| 486 | L | 80.7 | Confident | 76.8 | Confident | 75 Ų | 75 | 118.6 Ų | 118.6 | 39% | 0.393 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | -24.5 | 176 | -54.5 | -175.7 | 0 | 0 | 0 | 112.8 | E483 C484 L502 | E483-L486 WeakPolarHBondContact O-CB 3.48Å; E483-L486 PolarHBondContact O-N 3.08Å; C484-L486 PolarHBondContact O-N 3.13Å; L486-L502 HydrophobicContact CD1-CD1 4.27Å; L486-L502 HydrophobicContact CD2-CD1 3.33Å; L486-L502 HydrophobicContact CG-CD1 4.45Å |
| 487 | S | 76.3 | Confident | 76 | Confident | 35 Ų | 35 | 118 Ų | 118 | 25% | 0.245 | 55% | 0.545 | C | S | . | . | S | Bend | trans | -100.3 | 139.3 | -174.8 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | E483 C484 R489 M496 | E483-S487 PolarHBondContact O-N 3.13Å; E483-S487 PolarHBondContact O-OG 3.39Å; C484-S487 PolarHBondContact O-N 3.13Å; C484-S487 PolarHBondContact O-OG 3.05Å; S487-R489 PolarHBondContact O-N 3Å; S487-R489 PolarHBondContact OG-NE 3.04Å; S487-M496 VanDerWaalsContact O-CE 3.25Å; S487-M496 WeakPolarHBondContact O-CE 3.25Å |
| 488 | R | 66.9 | Low | 75.5 | Confident | 236 Ų | 236 | 114.1 Ų | 114.1 | 89% | 0.891 | 53% | 0.531 | S | S | * | . | trans | -70 | 67.6 | 178.8 | -85.2 | -177.7 | 178.4 | -174.8 | 2.8 | 110.7 | M496 | R488-M496 VanDerWaalsContact CA-CE 3.42Å; R488-M496 HydrophobicContact CB-CE 4.02Å; R488-M496 HydrophobicContact CB-SD 4.19Å; R488-M496 HydrophobicContact CG-CE 3.48Å; R488-M496 VanDerWaalsContact CG-CE 3.48Å; R488-M496 HydrophobicContact CG-SD 3.24Å; R488-M496 WeakPolarHBondContact CG-SD 3.43Å | ||
| 489 | R | 73 | Confident | 74.8 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | trans | -90.4 | 153.5 | 177.1 | -69.1 | -174.4 | 178.5 | -174 | 0.2 | 111.7 | S487 Y491 N492 | S487-R489 PolarHBondContact O-N 3Å; S487-R489 PolarHBondContact OG-NE 3.04Å; R489-Y491 PolarHBondContact O-N 3.07Å; R489-N492 PolarHBondContact O-N 3.06Å | ||
| 490 | K | 73.4 | Confident | 73.8 | Confident | 160 Ų | 160 | 115.7 Ų | 115.7 | 70% | 0.696 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -48.1 | -33.6 | 179.9 | -176.4 | 177.9 | 177.7 | -179.8 | 0 | 113.3 | ||
| 491 | Y | 73.7 | Confident | 73 | Confident | 200 Ų | 200 | 115.5 Ų | 115.5 | 78% | 0.784 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -86 | -13.1 | -177 | -54.4 | -73.6 | 0 | 0 | 0 | 114.5 | R489 | R489-Y491 PolarHBondContact O-N 3.07Š|
| 492 | N | 73.3 | Confident | 72.1 | Confident | 24 Ų | 24 | 115.7 Ų | 115.7 | 13% | 0.128 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -106.7 | 17.4 | -175 | -69.4 | -22.7 | 0 | 0 | 0 | 114 | C484 R489 Q494 K495 | C484-N492 PolarHBondContact O-ND2 3.28Å; R489-N492 PolarHBondContact O-N 3.06Å; N492-Q494 PolarHBondContact O-N 3.41Å; N492-K495 PolarHBondContact O-N 3.27Å |
| 493 | R | 64.5 | Low | 71.3 | Confident | 206 Ų | 206 | 119.6 Ų | 119.6 | 78% | 0.777 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 115.9 | 173.2 | -69.6 | -176.1 | 175.4 | -178.2 | -1.1 | 108.7 | ||
| 494 | Q | 72.8 | Confident | 70.1 | Confident | 197 Ų | 197 | 116.7 Ų | 116.7 | 92% | 0.921 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.2 | 2.3 | -178.2 | -49.8 | 174.9 | -10.5 | 0 | 0 | 117.6 | N492 | N492-Q494 PolarHBondContact O-N 3.41Š|
| 495 | K | 69.5 | Low | 68.7 | Low | 152 Ų | 152 | 118.3 Ų | 118.3 | 66% | 0.661 | 58% | 0.575 | S | S | * | * | trans | -118.5 | 31.2 | 177.5 | -65.9 | -173 | 178 | -177.7 | 0 | 113.1 | N492 | N492-K495 PolarHBondContact O-N 3.27Š| ||
| 496 | M | 73.6 | Confident | 67 | Low | 69 Ų | 69 | 126.6 Ų | 126.6 | 34% | 0.34 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -86.7 | 129.2 | 179.2 | -56.8 | -158.1 | 84.8 | 0 | 0 | 110.1 | S487 R488 | S487-M496 VanDerWaalsContact O-CE 3.25Å; S487-M496 WeakPolarHBondContact O-CE 3.25Å; R488-M496 VanDerWaalsContact CA-CE 3.42Å; R488-M496 HydrophobicContact CB-CE 4.02Å; R488-M496 HydrophobicContact CB-SD 4.19Å; R488-M496 HydrophobicContact CG-CE 3.48Å; R488-M496 VanDerWaalsContact CG-CE 3.48Å; R488-M496 HydrophobicContact CG-SD 3.24Å; R488-M496 WeakPolarHBondContact CG-SD 3.43Å |
| 497 | Y | 72.8 | Confident | 66.3 | Low | 67 Ų | 67 | 129.2 Ų | 129.2 | 26% | 0.263 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 136.8 | 162.6 | -64.8 | -66.4 | 0 | 0 | 0 | 108.5 | V470 L472 L485 | V470-Y497 HydrophobicContact CB-CE1 4.29Å; L472-Y497 HydrophobicContact CD1-CD1 3.79Å; L472-Y497 HydrophobicContact CD1-CD2 4.19Å; L472-Y497 HydrophobicContact CD1-CE1 3.58Å; L472-Y497 HydrophobicContact CD1-CE2 3.98Å; L472-Y497 HydrophobicContact CD1-CG 4.12Å; L472-Y497 HydrophobicContact CD2-CE1 4.32Å; L472-Y497 HydrophobicContact CG-CE1 4.15Å; L485-Y497 HydrophobicContact CB-CD2 3.87Å; L485-Y497 HydrophobicContact CB-CE2 4Å; L485-Y497 HydrophobicContact CD1-CE2 3.83Å; L485-Y497 HydrophobicContact CG-CE2 4.37Å; L485-Y497 PolarHBondContact O-N 2.7Å |
| 498 | S | 71.5 | Confident | 65.8 | Low | 52 Ų | 52 | 134.1 Ų | 134.1 | 36% | 0.364 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -64 | 132.9 | 169.8 | -166.3 | 0 | 0 | 0 | 0 | 107.8 | L500 W501 | S498-L500 PolarHBondContact O-N 3.28Å; S498-L500 VanDerWaalsContact O-N 3.07Å; S498-W501 PolarHBondContact O-N 3.41Å |
| 499 | P | 65.9 | Low | 65.7 | Low | 106 Ų | 106 | 128.4 Ų | 128.4 | 69% | 0.688 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -53.8 | -29.1 | 173.1 | -24.4 | 33 | 0 | 0 | 0 | 112.3 | W501 L502 | P499-W501 PolarHBondContact O-N 2.94Å; P499-L502 PolarHBondContact O-N 3.36Å |
| 500 | L | 64.6 | Low | 65.3 | Low | 132 Ų | 132 | 127.7 Ų | 127.7 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -64.4 | -18.3 | 176.5 | -108 | 104.9 | 0 | 0 | 0 | 114.7 | S498 F503 | S498-L500 PolarHBondContact O-N 3.28Å; S498-L500 VanDerWaalsContact O-N 3.07Å; L500-F503 VanDerWaalsContact O-CD2 3.24Å; L500-F503 WeakPolarHBondContact O-CD2 3.13Å; L500-F503 WeakPolarHBondContact O-CE2 3.42Å |
| 501 | W | 65.5 | Low | 64.8 | Low | 184 Ų | 184 | 125.7 Ų | 125.7 | 70% | 0.697 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -94.8 | 3.5 | -177.7 | -66.7 | 118.4 | 0 | 0 | 0 | 113.5 | S498 P499 F503 | S498-W501 PolarHBondContact O-N 3.41Å; P499-W501 PolarHBondContact O-N 2.94Å; W501-F503 PolarHBondContact O-N 3.34Å |
| 502 | L | 66.2 | Low | 64.2 | Low | 68 Ų | 68 | 120.7 Ų | 120.7 | 36% | 0.356 | 64% | 0.641 | S | S | . | * | trans | -97 | 69.8 | 178.4 | -60.7 | 169.1 | 0 | 0 | 0 | 109.6 | L481 L486 P499 | L481-L502 HydrophobicContact CD1-CD2 3.25Å; L486-L502 HydrophobicContact CD1-CD1 4.27Å; L486-L502 HydrophobicContact CD2-CD1 3.33Å; L486-L502 HydrophobicContact CG-CD1 4.45Å; P499-L502 PolarHBondContact O-N 3.36Å | ||
| 503 | F | 64.4 | Low | 63.5 | Low | 177 Ų | 177 | 127.6 Ų | 127.6 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | -108 | 124.6 | 166.7 | -75.6 | -82.8 | 0 | 0 | 0 | 108.5 | L500 W501 | L500-F503 VanDerWaalsContact O-CD2 3.24Å; L500-F503 WeakPolarHBondContact O-CD2 3.13Å; L500-F503 WeakPolarHBondContact O-CE2 3.42Å; W501-F503 PolarHBondContact O-N 3.34Å | ||
| 504 | G | 53.6 | Low | 63.5 | Low | 87 Ų | 87 | 121.6 Ų | 121.6 | 90% | 0.897 | 67% | 0.67 | S | S | * | * | trans | -73.6 | 172.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 505 | G | 46.6 | Very low | 62.7 | Low | 71 Ų | 71 | 115.3 Ų | 115.3 | 73% | 0.732 | 65% | 0.649 | S | S | * | * | trans | -141.9 | 105.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 506 | V | 38.3 | Very low | 62.1 | Low | 219 Ų | 219 | 112 Ų | 112 | 100% | 1.327 | 65% | 0.648 | S | S | * | * | trans | -89.8 | 0 | 149.2 | -178.4 | 0 | 0 | 0 | 0 | 106.4 |
Retrieved 506 of 506 residues in 723.2 ms
(Link to these results)