| 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 | 30.8 | Very low | 32.9 | Very low | 246 Ų | 246 | 151.5 Ų | 151.5 | 100% | 1.212 | 81% | 0.813 | S | S | * | * | 0 | 82.6 | 0 | -71.3 | -174.1 | -135 | 0 | 0 | 108 | |||||
| 2 | T | 28.8 | Very low | 33.3 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -100.3 | 119 | -176.8 | -2.8 | 0 | 0 | 0 | 0 | 107.7 | L4 | T2-L4 PolarHBondContact O-N 2.76Š| ||
| 3 | A | 26.8 | Very low | 33.4 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -63.5 | 117.9 | -176 | 0 | 0 | 0 | 0 | 0 | 110.9 | G5 | A3-G5 PolarHBondContact O-N 3.33Å; A3-G5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | L | 29.6 | Very low | 33.6 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | trans | -63 | 111.1 | 165.7 | -87.8 | 147.7 | 0 | 0 | 0 | 108.5 | T2 K6 | T2-L4 PolarHBondContact O-N 2.76Å; L4-K6 PolarHBondContact O-N 2.69Å; L4-K6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | G | 27 | Very low | 33.7 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | -57.2 | 110.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A3 V7 | A3-G5 PolarHBondContact O-N 3.33Å; A3-G5 VanDerWaalsContact O-N 3.17Å; G5-V7 PolarHBondContact O-N 3.28Å; G5-V7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | K | 28.9 | Very low | 33.9 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | -64 | 106.3 | 164.5 | -79.2 | 179 | 174.9 | 179 | 0 | 107.7 | L4 R8 | L4-K6 PolarHBondContact O-N 2.69Å; L4-K6 VanDerWaalsContact O-N 3.1Å; K6-R8 VanDerWaalsContact C-N 3.28Å; K6-R8 PolarHBondContact O-N 2.81Å | ||
| 7 | V | 30.7 | Very low | 34.2 | Very low | 147 Ų | 147 | 126 Ų | 126 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | trans | -59.6 | 97.4 | 160.9 | 179.5 | 0 | 0 | 0 | 0 | 106.4 | G5 | G5-V7 PolarHBondContact O-N 3.28Å; G5-V7 VanDerWaalsContact O-N 3.09Å | ||
| 8 | R | 30.9 | Very low | 34.9 | Very low | 218 Ų | 218 | 120.6 Ų | 120.6 | 82% | 0.823 | 68% | 0.677 | S | S | * | * | trans | -75.4 | 127.5 | 174.2 | -76.3 | 179.7 | 172 | 171.6 | -2.6 | 107.8 | K6 I10 | K6-R8 VanDerWaalsContact C-N 3.28Å; K6-R8 PolarHBondContact O-N 2.81Å; R8-I10 PolarHBondContact O-N 2.85Å | ||
| 9 | N | 42.8 | Very low | 35.1 | Very low | 70 Ų | 70 | 115.6 Ų | 115.6 | 37% | 0.374 | 65% | 0.649 | S | S | . | * | trans | -62 | 117.8 | 170.4 | -178.6 | -13.3 | 0 | 0 | 0 | 109.5 | K11 G12 L13 | N9-K11 PolarHBondContact O-N 3.31Å; N9-K11 VanDerWaalsContact O-N 3.11Å; N9-K11 PolarHBondContact OD1-N 3.35Å; N9-G12 PolarHBondContact O-N 2.86Å; N9-L13 WeakPolarHBondContact ND2-CA 3.36Å; N9-L13 VanDerWaalsContact ND2-CB 3.26Å; N9-L13 WeakPolarHBondContact ND2-CB 3.45Å; N9-L13 PolarHBondContact ND2-N 3.49Å; N9-L13 VanDerWaalsContact ND2-N 3.14Å; N9-L13 PolarHBondContact ND2-O 3.45Å | ||
| 10 | I | 41.2 | Very low | 35 | Very low | 172 Ų | 172 | 114.1 Ų | 114.1 | 88% | 0.882 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -19.1 | -177.4 | -64.6 | 171.1 | 0 | 0 | 0 | 112.2 | R8 | R8-I10 PolarHBondContact O-N 2.85Š|
| 11 | K | 44.2 | Very low | 35 | Very low | 138 Ų | 138 | 114.8 Ų | 114.8 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 4.4 | -179.3 | -66.9 | -170.7 | 178.2 | -177 | 0 | 115.2 | N9 L13 D349 | N9-K11 PolarHBondContact O-N 3.31Å; N9-K11 VanDerWaalsContact O-N 3.11Å; N9-K11 PolarHBondContact OD1-N 3.35Å; K11-L13 HydrophobicContact CB-CD1 4.37Å; K11-L13 PolarHBondContact O-N 3.29Å; K11-D349 IonicContact NZ-OD1 3.77Å; K11-D349 IonicContact NZ-OD2 2.77Å; K11-D349 PolarHBondContact NZ-OD2 2.98Å |
| 12 | G | 37.9 | Very low | 35.2 | Very low | 56 Ų | 56 | 108.1 Ų | 108.1 | 58% | 0.577 | 61% | 0.61 | S | S | * | * | trans | 65.4 | 17.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N9 T14 | N9-G12 PolarHBondContact O-N 2.86Å; G12-T14 VanDerWaalsContact C-N 3.33Å; G12-T14 PolarHBondContact O-N 3.11Å | ||
| 13 | L | 34.7 | Very low | 35.5 | Very low | 72 Ų | 72 | 107.2 Ų | 107.2 | 38% | 0.377 | 61% | 0.61 | S | S | . | * | trans | -70.9 | 92.9 | 169.8 | -58.5 | 150.3 | 0 | 0 | 0 | 108.4 | N9 K11 | N9-L13 WeakPolarHBondContact ND2-CA 3.36Å; N9-L13 VanDerWaalsContact ND2-CB 3.26Å; N9-L13 WeakPolarHBondContact ND2-CB 3.45Å; N9-L13 PolarHBondContact ND2-N 3.49Å; N9-L13 VanDerWaalsContact ND2-N 3.14Å; N9-L13 PolarHBondContact ND2-O 3.45Å; K11-L13 HydrophobicContact CB-CD1 4.37Å; K11-L13 PolarHBondContact O-N 3.29Å | ||
| 14 | T | 36.8 | Very low | 35.6 | Very low | 128 Ų | 128 | 110 Ų | 110 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -85 | 122.1 | 162.8 | 28.4 | 0 | 0 | 0 | 0 | 108.3 | G12 P16 | G12-T14 VanDerWaalsContact C-N 3.33Å; G12-T14 PolarHBondContact O-N 3.11Å; T14-P16 WeakPolarHBondContact O-CD 3.13Å |
| 15 | L | 35.1 | Very low | 35.8 | Very low | 84 Ų | 84 | 104.9 Ų | 104.9 | 44% | 0.44 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 119.5 | 174.7 | -68.3 | 160.8 | 0 | 0 | 0 | 108.6 | R238 F345 L348 | L15-R238 VanDerWaalsContact CD2-NH1 3.35Å; L15-F345 HydrophobicContact CD1-CE1 4.25Å; L15-L348 HydrophobicContact CD2-CD1 4.09Å |
| 16 | P | 36.9 | Very low | 35.9 | Very low | 47 Ų | 47 | 110.8 Ų | 110.8 | 31% | 0.305 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 148.5 | 173.8 | 25.5 | -31.6 | 0 | 0 | 0 | 109.4 | T14 T18 | T14-P16 WeakPolarHBondContact O-CD 3.13Å; P16-T18 PolarHBondContact O-N 2.86Å |
| 17 | P | 38.2 | Very low | 36.1 | Very low | 88 Ų | 88 | 109.3 Ų | 109.3 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141.9 | 169.7 | -17 | 27.1 | 0 | 0 | 0 | 109.2 | V19 T20 | P17-V19 PolarHBondContact O-N 3.36Å; P17-T20 HydrophobicContact CB-CG2 4.34Å; P17-T20 HydrophobicContact CG-CG2 3.99Å |
| 18 | T | 46.5 | Very low | 36.1 | Very low | 29 Ų | 29 | 111.1 Ų | 111.1 | 18% | 0.178 | 60% | 0.596 | C | S | . | * | S | Bend | trans | -63.9 | -11.5 | -172.1 | -22.9 | 0 | 0 | 0 | 0 | 114 | P16 A231 | P16-T18 PolarHBondContact O-N 2.86Å; T18-A231 HydrophobicContact CG2-CB 3.25Å; T18-A231 WeakPolarHBondContact OG1-CB 3.43Å |
| 19 | V | 38.6 | Very low | 36.4 | Very low | 26 Ų | 26 | 107.7 Ų | 107.7 | 16% | 0.158 | 59% | 0.594 | C | S | . | * | trans | -149.2 | 112.1 | 167.9 | -168.5 | 0 | 0 | 0 | 0 | 107 | P17 E21 I227 N228 | P17-V19 PolarHBondContact O-N 3.36Å; V19-E21 HydrophobicContact CG1-CB 4.46Å; V19-E21 HydrophobicContact CG1-CG 3.79Å; V19-I227 HydrophobicContact CG2-CG2 3.98Å; V19-N228 WeakPolarHBondContact CB-OD1 3.48Å; V19-N228 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 20 | T | 33.9 | Very low | 35.8 | Very low | 84 Ų | 84 | 108.7 Ų | 108.7 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | trans | -90.9 | 92.7 | 155.4 | 47.7 | 0 | 0 | 0 | 0 | 106.5 | P17 D22 | P17-T20 HydrophobicContact CB-CG2 4.34Å; P17-T20 HydrophobicContact CG-CG2 3.99Å; T20-D22 PolarHBondContact O-N 2.83Å | ||
| 21 | E | 35.7 | Very low | 35.3 | Very low | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | trans | -73.1 | 105.5 | 162.5 | -92.2 | 167.8 | -157.9 | 0 | 0 | 106.6 | V19 S23 | V19-E21 HydrophobicContact CG1-CB 4.46Å; V19-E21 HydrophobicContact CG1-CG 3.79Å; E21-S23 PolarHBondContact O-N 2.99Å; E21-S23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | D | 35.2 | Very low | 35.1 | Very low | 107 Ų | 107 | 104.5 Ų | 104.5 | 57% | 0.572 | 60% | 0.595 | S | S | * | * | trans | -65.3 | 109.9 | 163.8 | -91.1 | -23.4 | 0 | 0 | 0 | 107.7 | T20 N24 A25 | T20-D22 PolarHBondContact O-N 2.83Å; D22-N24 PolarHBondContact O-N 2.85Å; D22-A25 PolarHBondContact O-N 3.46Å | ||
| 23 | S | 33.4 | Very low | 34.9 | Very low | 124 Ų | 124 | 107 Ų | 107 | 87% | 0.867 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 16.8 | 167.9 | 19.4 | 0 | 0 | 0 | 0 | 113.8 | E21 | E21-S23 PolarHBondContact O-N 2.99Å; E21-S23 VanDerWaalsContact O-N 3.12Å |
| 24 | N | 29.8 | Very low | 35 | Very low | 158 Ų | 158 | 108.5 Ų | 108.5 | 85% | 0.845 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 2.8 | -178.1 | -90.7 | -17.9 | 0 | 0 | 0 | 114.9 | D22 Q26 | D22-N24 PolarHBondContact O-N 2.85Å; N24-Q26 PolarHBondContact O-N 3.44Å |
| 25 | A | 33.7 | Very low | 35.2 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | trans | -85.7 | 100.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | D22 E27 | D22-A25 PolarHBondContact O-N 3.46Å; A25-E27 PolarHBondContact O-N 2.89Å | ||
| 26 | Q | 30.1 | Very low | 35.2 | Very low | 195 Ų | 195 | 110.3 Ų | 110.3 | 91% | 0.911 | 61% | 0.607 | S | S | * | * | trans | -63.9 | 60.8 | 153.6 | -74.6 | 179.6 | -39.4 | 0 | 0 | 108.9 | N24 Q28 | N24-Q26 PolarHBondContact O-N 3.44Å; Q26-Q28 PolarHBondContact O-N 2.86Å | ||
| 27 | E | 33 | Very low | 35.2 | Very low | 158 Ų | 158 | 115.2 Ų | 115.2 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | trans | -71 | 109.5 | 151 | -82.9 | -171.9 | 159.7 | 0 | 0 | 104.7 | A25 N29 | A25-E27 PolarHBondContact O-N 2.89Å; E27-N29 PolarHBondContact O-N 3.25Å | ||
| 28 | Q | 30.8 | Very low | 35.2 | Very low | 185 Ų | 185 | 114.6 Ų | 114.6 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | trans | -56.1 | 90.7 | 172.2 | -66 | 174.1 | 1.4 | 0 | 0 | 107.7 | Q26 | Q26-Q28 PolarHBondContact O-N 2.86Š| ||
| 29 | N | 35.3 | Very low | 34.6 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 125.1 | 148.9 | -85.1 | -35 | 0 | 0 | 0 | 104.9 | E27 | E27-N29 PolarHBondContact O-N 3.25Š|
| 30 | P | 31.8 | Very low | 34.6 | Very low | 91 Ų | 91 | 123 Ų | 123 | 59% | 0.591 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.4 | 179.2 | 22.7 | -31.1 | 0 | 0 | 0 | 107 | I32 | P30-I32 PolarHBondContact O-N 3.12Š|
| 31 | P | 30.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 60% | 0.597 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 140 | 176.6 | 22.6 | -30.5 | 0 | 0 | 0 | 107.6 | T33 | P31-T33 WeakPolarHBondContact CB-OG1 3.42Å; P31-T33 WeakPolarHBondContact CG-OG1 3.49Å; P31-T33 PolarHBondContact O-N 3.09Å; P31-T33 PolarHBondContact O-OG1 3.28Å |
| 32 | I | 40.1 | Very low | 35.7 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 67% | 0.672 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -62.3 | 16 | -180 | -61.1 | 167 | 0 | 0 | 0 | 111.7 | P30 E34 T35 | P30-I32 PolarHBondContact O-N 3.12Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-T35 WeakPolarHBondContact CG2-OG1 3.15Å; I32-T35 PolarHBondContact O-OG1 3.28Å |
| 33 | T | 34.1 | Very low | 36.7 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -80.8 | -0.9 | 172.3 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | P31 | P31-T33 WeakPolarHBondContact CB-OG1 3.42Å; P31-T33 WeakPolarHBondContact CG-OG1 3.49Å; P31-T33 PolarHBondContact O-N 3.09Å; P31-T33 PolarHBondContact O-OG1 3.28Å |
| 34 | E | 36.3 | Very low | 37.9 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -97.4 | -1.7 | 170.2 | -69.9 | -152.5 | 130.3 | 0 | 0 | 114.7 | I32 E36 K37 | I32-E34 VanDerWaalsContact C-N 3.34Å; E34-E36 PolarHBondContact O-N 2.84Å; E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 VanDerWaalsContact O-N 3.1Å; E34-K37 IonicContact OE1-NZ 2.74Å; E34-K37 PolarHBondContact OE1-NZ 3.46Å |
| 35 | T | 40 | Very low | 39.2 | Very low | 79 Ų | 79 | 112.8 Ų | 112.8 | 49% | 0.485 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -15.1 | 173.8 | -10.6 | 0 | 0 | 0 | 0 | 113.6 | I32 L38 | I32-T35 WeakPolarHBondContact CG2-OG1 3.15Å; I32-T35 PolarHBondContact O-OG1 3.28Å; T35-L38 HydrophobicContact CG2-CD1 4.47Å |
| 36 | E | 35.2 | Very low | 40.6 | Very low | 172 Ų | 172 | 115.5 Ų | 115.5 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -18.4 | 176.8 | -69.2 | -175.4 | 162.2 | 0 | 0 | 114 | E34 L38 | E34-E36 PolarHBondContact O-N 2.84Å; E36-L38 VanDerWaalsContact C-N 3.3Å |
| 37 | K | 36.7 | Very low | 41.9 | Very low | 150 Ų | 150 | 109.4 Ų | 109.4 | 65% | 0.652 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -77.2 | -17.7 | 171.8 | -75.5 | -178.4 | -173.3 | 163 | 0 | 113.1 | E34 N39 S40 | E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 VanDerWaalsContact O-N 3.1Å; E34-K37 IonicContact OE1-NZ 2.74Å; E34-K37 PolarHBondContact OE1-NZ 3.46Å; K37-N39 PolarHBondContact O-N 3.08Å; K37-S40 PolarHBondContact O-N 3.27Å |
| 38 | L | 39.7 | Very low | 43.3 | Very low | 75 Ų | 75 | 102.1 Ų | 102.1 | 39% | 0.393 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -77 | -2.9 | -178.5 | -76.1 | 144 | 0 | 0 | 0 | 113.8 | T35 E36 Y131 | T35-L38 HydrophobicContact CG2-CD1 4.47Å; E36-L38 VanDerWaalsContact C-N 3.3Å; L38-Y131 HydrophobicContact CB-CE1 4.49Å; L38-Y131 HydrophobicContact CD2-CD1 3.59Å; L38-Y131 HydrophobicContact CD2-CD2 4.16Å; L38-Y131 HydrophobicContact CD2-CE1 3.23Å; L38-Y131 HydrophobicContact CD2-CE2 3.84Å; L38-Y131 HydrophobicContact CD2-CG 4.05Å; L38-Y131 HydrophobicContact CG-CE1 4.42Å |
| 39 | N | 34 | Very low | 44.6 | Very low | 145 Ų | 145 | 100.2 Ų | 100.2 | 78% | 0.775 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -94.7 | 6.4 | 173.8 | -79 | -14.2 | 0 | 0 | 0 | 114 | K37 | K37-N39 PolarHBondContact O-N 3.08Š|
| 40 | S | 37.2 | Very low | 45.6 | Very low | 85 Ų | 85 | 99.9 Ų | 99.9 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -65.6 | 139.3 | 168.7 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | K37 F42 | K37-S40 PolarHBondContact O-N 3.27Å; S40-F42 PolarHBondContact O-N 3.28Å |
| 41 | P | 40.9 | Very low | 46.9 | Very low | 116 Ų | 116 | 97.3 Ų | 97.3 | 75% | 0.753 | 51% | 0.506 | S | S | * | . | trans | -53.6 | 121.7 | 173.4 | 22.7 | -31.6 | 0 | 0 | 0 | 108.4 | N43 | P41-N43 PolarHBondContact O-N 2.91Š| ||
| 42 | F | 52.4 | Low | 48.8 | Very low | 73 Ų | 73 | 99.6 Ų | 99.6 | 32% | 0.32 | 52% | 0.522 | S | S | . | . | trans | -54.4 | 103.2 | -174.2 | -171.6 | -95.5 | 0 | 0 | 0 | 109.9 | S40 I44 E47 F65 | S40-F42 PolarHBondContact O-N 3.28Å; F42-I44 HydrophobicContact CD1-CG1 3.55Å; F42-I44 HydrophobicContact CE1-CG1 3.72Å; F42-I44 PolarHBondContact O-N 3.43Å; F42-I44 VanDerWaalsContact O-N 3.14Å; F42-E47 WeakPolarHBondContact CE2-OE1 3.49Å; F42-E47 WeakPolarHBondContact CZ-OE2 3.41Å; F42-F65 HydrophobicContact CD1-CD1 4.42Å; F42-F65 AromaticContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD1 3.41Å; F42-F65 VanDerWaalsContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD2 4.49Å; F42-F65 AromaticContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE2 4.37Å; F42-F65 HydrophobicContact CE1-CG 4.04Å; F42-F65 AromaticContact CE1-CZ 3.78Å; F42-F65 HydrophobicContact CE1-CZ 3.78Å; F42-F65 AromaticContact CZ-CD1 3.84Å; F42-F65 HydrophobicContact CZ-CD1 3.84Å; F42-F65 AromaticContact CZ-CE1 3.25Å; F42-F65 HydrophobicContact CZ-CE1 3.25Å; F42-F65 AromaticContact CZ-CZ 3.76Å; F42-F65 HydrophobicContact CZ-CZ 3.76Å | ||
| 43 | N | 57.4 | Low | 50.5 | Low | 75 Ų | 75 | 94.2 Ų | 94.2 | 40% | 0.401 | 49% | 0.494 | S | S | . | . | trans | -84.9 | 89.2 | 178.4 | -169.4 | -13.8 | 0 | 0 | 0 | 109.1 | P41 E45 Q46 E47 | P41-N43 PolarHBondContact O-N 2.91Å; N43-E45 PolarHBondContact O-N 3.38Å; N43-E45 PolarHBondContact OD1-N 3.24Å; N43-Q46 HydrophobicContact CB-CB 4.25Å; N43-Q46 HydrophobicContact CB-CG 4.29Å; N43-Q46 VanDerWaalsContact ND2-CD 3.34Å; N43-Q46 PolarHBondContact O-N 2.98Å; N43-E47 PolarHBondContact O-N 2.89Å | ||
| 44 | I | 56.8 | Low | 52.9 | Low | 29 Ų | 29 | 92.8 Ų | 92.8 | 15% | 0.149 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -48.6 | -43 | -178.9 | -65 | 167.8 | 0 | 0 | 0 | 111.3 | F42 Q46 E47 L48 Q62 F65 | F42-I44 HydrophobicContact CD1-CG1 3.55Å; F42-I44 HydrophobicContact CE1-CG1 3.72Å; F42-I44 PolarHBondContact O-N 3.43Å; F42-I44 VanDerWaalsContact O-N 3.14Å; I44-Q46 PolarHBondContact O-N 3.48Å; I44-E47 PolarHBondContact O-N 3.25Å; I44-L48 HydrophobicContact CG2-CD1 3.66Å; I44-L48 HydrophobicContact CG2-CG 4.4Å; I44-L48 VanDerWaalsContact O-CG 3.26Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.39Å; I44-L48 VanDerWaalsContact O-N 3.16Å; I44-Q62 HydrophobicContact CG2-CG 4.48Å; I44-F65 HydrophobicContact CB-CD2 4.4Å; I44-F65 HydrophobicContact CD1-CB 3.79Å; I44-F65 HydrophobicContact CD1-CG 4.36Å; I44-F65 HydrophobicContact CG1-CB 4.13Å; I44-F65 HydrophobicContact CG1-CD2 4.24Å; I44-F65 HydrophobicContact CG1-CG 4.15Å; I44-F65 HydrophobicContact CG2-CD2 3.49Å; I44-F65 VanDerWaalsContact CG2-CD2 3.49Å; I44-F65 HydrophobicContact CG2-CE2 3.96Å; I44-F65 HydrophobicContact CG2-CG 4.22Å |
| 45 | E | 57.6 | Low | 55.2 | Low | 96 Ų | 96 | 93.4 Ų | 93.4 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | -179.6 | -102.4 | 64.2 | -137.7 | 0 | 0 | 112.7 | N43 L48 E49 Q62 | N43-E45 PolarHBondContact O-N 3.38Å; N43-E45 PolarHBondContact OD1-N 3.24Å; E45-L48 PolarHBondContact O-N 3.38Å; E45-E49 WeakPolarHBondContact O-CG 3.43Å; E45-E49 PolarHBondContact O-N 3.33Å; E45-Q62 PolarHBondContact OE1-NE2 3.39Å |
| 46 | Q | 63 | Low | 57.4 | Low | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.9 | -35.2 | -179.2 | -76.3 | 179.4 | -19.8 | 0 | 0 | 112.9 | N43 I44 | N43-Q46 HydrophobicContact CB-CB 4.25Å; N43-Q46 HydrophobicContact CB-CG 4.29Å; N43-Q46 VanDerWaalsContact ND2-CD 3.34Å; N43-Q46 PolarHBondContact O-N 2.98Å; I44-Q46 PolarHBondContact O-N 3.48Å |
| 47 | E | 58.4 | Low | 60 | Low | 66 Ų | 66 | 86.9 Ų | 86.9 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.4 | -37.2 | 172.9 | -90.7 | -167.6 | -174.4 | 0 | 0 | 111.7 | F42 N43 I44 N133 | F42-E47 WeakPolarHBondContact CE2-OE1 3.49Å; F42-E47 WeakPolarHBondContact CZ-OE2 3.41Å; N43-E47 PolarHBondContact O-N 2.89Å; I44-E47 PolarHBondContact O-N 3.25Å; E47-N133 PolarHBondContact OE2-ND2 3.16Å |
| 48 | L | 60.8 | Low | 62.5 | Low | 5 Ų | 5 | 84 Ų | 84 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76.9 | -26.5 | -178.3 | -67.8 | 174.4 | 0 | 0 | 0 | 113.9 | I44 E45 Q50 L53 R58 M61 Q62 F65 | I44-L48 HydrophobicContact CG2-CD1 3.66Å; I44-L48 HydrophobicContact CG2-CG 4.4Å; I44-L48 VanDerWaalsContact O-CG 3.26Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.39Å; I44-L48 VanDerWaalsContact O-N 3.16Å; E45-L48 PolarHBondContact O-N 3.38Å; L48-Q50 VanDerWaalsContact C-N 3.33Å; L48-L53 HydrophobicContact CB-CD1 4.49Å; L48-L53 HydrophobicContact CD2-CD1 3.51Å; L48-R58 HydrophobicContact CD1-CG 4.26Å; L48-M61 HydrophobicContact CD2-CB 3.5Å; L48-M61 HydrophobicContact CD2-CG 4.07Å; L48-Q62 HydrophobicContact CD1-CG 3.68Å; L48-F65 HydrophobicContact CD1-CE2 4.39Å; L48-F65 HydrophobicContact CD2-CE2 4.14Å; L48-F65 HydrophobicContact CG-CE2 4.26Å |
| 49 | E | 58.9 | Low | 64.9 | Low | 145 Ų | 145 | 87.6 Ų | 87.6 | 68% | 0.678 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.2 | -27.8 | 177 | -83.7 | -178.8 | 170 | 0 | 0 | 113.1 | E45 I51 | E45-E49 WeakPolarHBondContact O-CG 3.43Å; E45-E49 PolarHBondContact O-N 3.33Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.46Å |
| 50 | Q | 56.3 | Low | 67.6 | Low | 139 Ų | 139 | 84.2 Ų | 84.2 | 65% | 0.65 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.4 | -178 | -69.2 | -170.2 | 16.5 | 0 | 0 | 114.4 | L48 | L48-Q50 VanDerWaalsContact C-N 3.33Š|
| 51 | I | 58.9 | Low | 70.2 | Confident | 38 Ų | 38 | 80.5 Ų | 80.5 | 20% | 0.195 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -112.7 | 126.3 | -178.8 | -52.1 | 175.3 | 0 | 0 | 0 | 106.7 | E49 L53 Y190 | E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.46Å; I51-L53 HydrophobicContact CB-CD1 4.25Å; I51-L53 HydrophobicContact CB-CD2 4.11Å; I51-L53 HydrophobicContact CB-CG 3.81Å; I51-L53 HydrophobicContact CG2-CD1 4.48Å; I51-L53 HydrophobicContact CG2-CD2 3.44Å; I51-L53 VanDerWaalsContact CG2-CD2 3.44Å; I51-L53 HydrophobicContact CG2-CG 3.68Å; I51-L53 PolarHBondContact O-N 3.2Å; I51-Y190 HydrophobicContact CD1-CE2 4.19Å |
| 52 | C | 69.5 | Low | 72.5 | Confident | 140 Ų | 140 | 77.8 Ų | 77.8 | 95% | 0.946 | 39% | 0.386 | S | S | * | . | trans | -68.4 | 68.3 | 174.6 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 53 | L | 77.4 | Confident | 74.4 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | trans | -82.1 | 140.7 | -179.4 | -62.3 | 175.5 | 0 | 0 | 0 | 109.9 | L48 I51 Q57 R58 M61 P135 | L48-L53 HydrophobicContact CB-CD1 4.49Å; L48-L53 HydrophobicContact CD2-CD1 3.51Å; I51-L53 HydrophobicContact CB-CD1 4.25Å; I51-L53 HydrophobicContact CB-CD2 4.11Å; I51-L53 HydrophobicContact CB-CG 3.81Å; I51-L53 HydrophobicContact CG2-CD1 4.48Å; I51-L53 HydrophobicContact CG2-CD2 3.44Å; I51-L53 VanDerWaalsContact CG2-CD2 3.44Å; I51-L53 HydrophobicContact CG2-CG 3.68Å; I51-L53 PolarHBondContact O-N 3.2Å; L53-Q57 HydrophobicContact CB-CB 4.1Å; L53-Q57 HydrophobicContact CD2-CB 4Å; L53-R58 HydrophobicContact CB-CB 4.44Å; L53-M61 HydrophobicContact CD1-CG 4.43Å; L53-P135 HydrophobicContact CD2-CB 4.31Å; L53-P135 HydrophobicContact CD2-CG 3.45Å; L53-P135 VanDerWaalsContact CD2-CG 3.45Å | ||
| 54 | T | 83.7 | Confident | 76.1 | Confident | 79 Ų | 79 | 75.8 Ų | 75.8 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | trans | -64.7 | 157.2 | 161.7 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | V56 Q57 R58 | T54-V56 PolarHBondContact O-N 3.49Å; T54-V56 VanDerWaalsContact O-N 3.17Å; T54-Q57 PolarHBondContact O-N 2.93Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.48Å; T54-Q57 VanDerWaalsContact OG1-CG 3.26Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.46Å; T54-Q57 PolarHBondContact OG1-N 3.03Å; T54-Q57 PolarHBondContact OG1-OE1 3.34Å; T54-R58 PolarHBondContact O-N 3.28Å | ||
| 55 | D | 84.3 | Confident | 77.7 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 62% | 0.62 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56.4 | -34.6 | 176.8 | -68 | -37.7 | 0 | 0 | 0 | 112.6 | R58 K59 | D55-R58 PolarHBondContact O-N 3.01Å; D55-K59 WeakPolarHBondContact O-CG 3.17Å; D55-K59 PolarHBondContact O-N 3.17Å |
| 56 | V | 86.9 | Confident | 79.3 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | T54 K59 R60 | T54-V56 PolarHBondContact O-N 3.49Å; T54-V56 VanDerWaalsContact O-N 3.17Å; V56-K59 PolarHBondContact O-N 3.02Å; V56-R60 WeakPolarHBondContact O-CG 3.41Å; V56-R60 PolarHBondContact O-N 3.4Å; V56-R60 VanDerWaalsContact O-N 3.08Å |
| 57 | Q | 89.9 | Confident | 80.7 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 176.7 | -73 | 167.9 | -43 | 0 | 0 | 111.5 | L53 T54 K59 R60 M61 P135 Y136 | L53-Q57 HydrophobicContact CB-CB 4.1Å; L53-Q57 HydrophobicContact CD2-CB 4Å; T54-Q57 PolarHBondContact O-N 2.93Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.48Å; T54-Q57 VanDerWaalsContact OG1-CG 3.26Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.46Å; T54-Q57 PolarHBondContact OG1-N 3.03Å; T54-Q57 PolarHBondContact OG1-OE1 3.34Å; Q57-K59 PolarHBondContact O-N 3.02Å; Q57-R60 PolarHBondContact O-N 3.12Å; Q57-M61 WeakPolarHBondContact O-CG 3.32Å; Q57-M61 PolarHBondContact O-N 3.2Å; Q57-P135 HydrophobicContact CB-CB 4.29Å; Q57-P135 HydrophobicContact CG-CB 4.06Å; Q57-Y136 PolarHBondContact NE2-OH 3.48Å |
| 58 | R | 87.8 | Confident | 82.3 | Confident | 91 Ų | 91 | 68.9 Ų | 68.9 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 176.9 | -175.7 | -179.6 | -75.1 | 158.4 | -7 | 111.4 | L48 L53 T54 D55 R60 M61 Q62 | L48-R58 HydrophobicContact CD1-CG 4.26Å; L53-R58 HydrophobicContact CB-CB 4.44Å; T54-R58 PolarHBondContact O-N 3.28Å; D55-R58 PolarHBondContact O-N 3.01Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 3.02Å; R58-M61 PolarHBondContact O-N 3.26Å; R58-Q62 WeakPolarHBondContact O-CG 3.23Å; R58-Q62 PolarHBondContact O-N 3.03Å |
| 59 | K | 90.4 | Very high | 83.7 | Confident | 149 Ų | 149 | 74.8 Ų | 74.8 | 65% | 0.648 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 177 | -75.5 | 177 | -179.5 | 179.3 | 0 | 112.6 | D55 V56 Q57 Q62 Q63 | D55-K59 WeakPolarHBondContact O-CG 3.17Å; D55-K59 PolarHBondContact O-N 3.17Å; V56-K59 PolarHBondContact O-N 3.02Å; Q57-K59 PolarHBondContact O-N 3.02Å; K59-Q62 PolarHBondContact O-N 2.96Å; K59-Q63 PolarHBondContact O-N 3.46Å |
| 60 | R | 91.2 | Very high | 85.3 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 177.2 | -72.8 | 176.3 | -177.4 | 176.9 | -2.2 | 111.9 | V56 Q57 R58 Q63 W64 Q212 | V56-R60 WeakPolarHBondContact O-CG 3.41Å; V56-R60 PolarHBondContact O-N 3.4Å; V56-R60 VanDerWaalsContact O-N 3.08Å; Q57-R60 PolarHBondContact O-N 3.12Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 3.02Å; R60-Q63 WeakPolarHBondContact O-CB 3.42Å; R60-Q63 PolarHBondContact O-N 3.14Å; R60-W64 PolarHBondContact O-N 3.38Å; R60-Q212 PolarHBondContact NH1-O 3.24Å; R60-Q212 PolarHBondContact NH2-O 2.57Å |
| 61 | M | 91 | Very high | 87 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 176.8 | -69.6 | -62.4 | -61.5 | 0 | 0 | 112.1 | L48 L53 Q57 R58 Q63 W64 F65 N133 | L48-M61 HydrophobicContact CD2-CB 3.5Å; L48-M61 HydrophobicContact CD2-CG 4.07Å; L53-M61 HydrophobicContact CD1-CG 4.43Å; Q57-M61 WeakPolarHBondContact O-CG 3.32Å; Q57-M61 PolarHBondContact O-N 3.2Å; R58-M61 PolarHBondContact O-N 3.26Å; M61-Q63 VanDerWaalsContact C-N 3.34Å; M61-Q63 PolarHBondContact O-N 3.39Å; M61-W64 WeakPolarHBondContact O-CB 3.36Å; M61-W64 PolarHBondContact O-N 3.41Å; M61-F65 HydrophobicContact CB-CE2 4.34Å; M61-F65 HydrophobicContact CE-CE2 4.16Å; M61-F65 HydrophobicContact CE-CZ 4.05Å; M61-F65 WeakPolarHBondContact O-CD2 3.35Å; M61-F65 WeakPolarHBondContact O-CG 3.46Å; M61-F65 PolarHBondContact O-N 3.49Å; M61-N133 HydrophobicContact CE-CB 3.79Å |
| 62 | Q | 90.3 | Very high | 88.4 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 172.9 | -75 | 173.5 | -26.4 | 0 | 0 | 111.5 | I44 E45 L48 R58 K59 W64 F65 I66 | I44-Q62 HydrophobicContact CG2-CG 4.48Å; E45-Q62 PolarHBondContact OE1-NE2 3.39Å; L48-Q62 HydrophobicContact CD1-CG 3.68Å; R58-Q62 WeakPolarHBondContact O-CG 3.23Å; R58-Q62 PolarHBondContact O-N 3.03Å; K59-Q62 PolarHBondContact O-N 2.96Å; Q62-W64 PolarHBondContact O-N 2.91Å; Q62-F65 PolarHBondContact O-N 2.77Å; Q62-I66 WeakPolarHBondContact O-CG1 3.35Å; Q62-I66 PolarHBondContact O-N 3.31Å; Q62-I66 VanDerWaalsContact O-N 3.12Å |
| 63 | Q | 91.8 | Very high | 89.3 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 175.5 | -177.2 | 60.9 | 30 | 0 | 0 | 111.9 | K59 R60 M61 F65 I66 E67 | K59-Q63 PolarHBondContact O-N 3.46Å; R60-Q63 WeakPolarHBondContact O-CB 3.42Å; R60-Q63 PolarHBondContact O-N 3.14Å; M61-Q63 VanDerWaalsContact C-N 3.34Å; M61-Q63 PolarHBondContact O-N 3.39Å; Q63-F65 VanDerWaalsContact C-N 3.31Å; Q63-F65 PolarHBondContact O-N 3.27Å; Q63-I66 PolarHBondContact O-N 3.32Å; Q63-E67 PolarHBondContact NE2-OE1 3.36Å; Q63-E67 PolarHBondContact O-N 3.45Å |
| 64 | W | 92.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.9 | -44.9 | 174.8 | 166.2 | -104.9 | 0 | 0 | 0 | 112.2 | R60 M61 Q62 E67 K68 F140 Y141 E155 | R60-W64 PolarHBondContact O-N 3.38Å; M61-W64 WeakPolarHBondContact O-CB 3.36Å; M61-W64 PolarHBondContact O-N 3.41Å; Q62-W64 PolarHBondContact O-N 2.91Å; W64-E67 PolarHBondContact O-N 3.39Å; W64-K68 HydrophobicContact CZ2-CD 4.04Å; W64-K68 WeakPolarHBondContact O-CB 3.42Å; W64-K68 PolarHBondContact O-N 3.35Å; W64-F140 VanDerWaalsContact CZ2-N 3.31Å; W64-Y141 HydrophobicContact CE3-CE1 4.49Å; W64-Y141 AromaticContact CH2-CD1 3.9Å; W64-Y141 HydrophobicContact CH2-CD1 3.9Å; W64-Y141 AromaticContact CH2-CD2 3.98Å; W64-Y141 HydrophobicContact CH2-CD2 3.98Å; W64-Y141 AromaticContact CH2-CE1 3.65Å; W64-Y141 HydrophobicContact CH2-CE1 3.65Å; W64-Y141 AromaticContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CG 4.05Å; W64-Y141 AromaticContact CH2-CZ 3.58Å; W64-Y141 HydrophobicContact CZ2-CE1 4.47Å; W64-Y141 HydrophobicContact CZ3-CD1 4.38Å; W64-Y141 HydrophobicContact CZ3-CD2 4.38Å; W64-Y141 AromaticContact CZ3-CE1 3.67Å; W64-Y141 HydrophobicContact CZ3-CE1 3.67Å; W64-Y141 AromaticContact CZ3-CE2 3.67Å; W64-Y141 HydrophobicContact CZ3-CE2 3.67Å; W64-Y141 AromaticContact CZ3-CZ 3.27Å; W64-Y141 VanDerWaalsContact CZ3-OH 3.32Å; W64-Y141 WeakPolarHBondContact CZ3-OH 3.42Å; W64-E155 HydrophobicContact CE3-CB 4.21Å; W64-E155 HydrophobicContact CH2-CB 3.93Å; W64-E155 HydrophobicContact CZ3-CB 3.42Å; W64-E155 VanDerWaalsContact CZ3-CB 3.42Å |
| 65 | F | 90.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 2% | 0.022 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 178.8 | -69.2 | -57.2 | 0 | 0 | 0 | 113.2 | F42 I44 L48 M61 Q62 Q63 E67 K68 Q69 N133 | F42-F65 HydrophobicContact CD1-CD1 4.42Å; F42-F65 AromaticContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD1 3.41Å; F42-F65 VanDerWaalsContact CE1-CD1 3.41Å; F42-F65 HydrophobicContact CE1-CD2 4.49Å; F42-F65 AromaticContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE1 3.28Å; F42-F65 HydrophobicContact CE1-CE2 4.37Å; F42-F65 HydrophobicContact CE1-CG 4.04Å; F42-F65 AromaticContact CE1-CZ 3.78Å; F42-F65 HydrophobicContact CE1-CZ 3.78Å; F42-F65 AromaticContact CZ-CD1 3.84Å; F42-F65 HydrophobicContact CZ-CD1 3.84Å; F42-F65 AromaticContact CZ-CE1 3.25Å; F42-F65 HydrophobicContact CZ-CE1 3.25Å; F42-F65 AromaticContact CZ-CZ 3.76Å; F42-F65 HydrophobicContact CZ-CZ 3.76Å; I44-F65 HydrophobicContact CB-CD2 4.4Å; I44-F65 HydrophobicContact CD1-CB 3.79Å; I44-F65 HydrophobicContact CD1-CG 4.36Å; I44-F65 HydrophobicContact CG1-CB 4.13Å; I44-F65 HydrophobicContact CG1-CD2 4.24Å; I44-F65 HydrophobicContact CG1-CG 4.15Å; I44-F65 HydrophobicContact CG2-CD2 3.49Å; I44-F65 VanDerWaalsContact CG2-CD2 3.49Å; I44-F65 HydrophobicContact CG2-CE2 3.96Å; I44-F65 HydrophobicContact CG2-CG 4.22Å; L48-F65 HydrophobicContact CD1-CE2 4.39Å; L48-F65 HydrophobicContact CD2-CE2 4.14Å; L48-F65 HydrophobicContact CG-CE2 4.26Å; M61-F65 HydrophobicContact CB-CE2 4.34Å; M61-F65 HydrophobicContact CE-CE2 4.16Å; M61-F65 HydrophobicContact CE-CZ 4.05Å; M61-F65 WeakPolarHBondContact O-CD2 3.35Å; M61-F65 WeakPolarHBondContact O-CG 3.46Å; M61-F65 PolarHBondContact O-N 3.49Å; Q62-F65 PolarHBondContact O-N 2.77Å; Q63-F65 VanDerWaalsContact C-N 3.31Å; Q63-F65 PolarHBondContact O-N 3.27Å; F65-E67 VanDerWaalsContact C-N 3.31Å; F65-E67 PolarHBondContact O-N 3.49Å; F65-K68 PolarHBondContact O-N 3.34Å; F65-Q69 WeakPolarHBondContact O-CG 3.5Å; F65-Q69 PolarHBondContact O-N 3.47Å; F65-N133 HydrophobicContact CE1-CB 3.99Å; F65-N133 VanDerWaalsContact CE1-CG 3.45Å; F65-N133 HydrophobicContact CZ-CB 3.69Å |
| 66 | I | 91.6 | Very high | 90.2 | Very high | 78 Ų | 78 | 65.7 Ų | 65.7 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.6 | -67.6 | 166.3 | 0 | 0 | 0 | 110.5 | Q62 Q63 K70 | Q62-I66 WeakPolarHBondContact O-CG1 3.35Å; Q62-I66 PolarHBondContact O-N 3.31Å; Q62-I66 VanDerWaalsContact O-N 3.12Å; Q63-I66 PolarHBondContact O-N 3.32Å; I66-K70 WeakPolarHBondContact O-CG 3.32Å |
| 67 | E | 92.6 | Very high | 90.5 | Very high | 59 Ų | 59 | 67.7 Ų | 67.7 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 177.9 | -75.9 | 178.3 | -167.9 | 0 | 0 | 112 | Q63 W64 F65 Q69 K70 I103 | Q63-E67 PolarHBondContact NE2-OE1 3.36Å; Q63-E67 PolarHBondContact O-N 3.45Å; W64-E67 PolarHBondContact O-N 3.39Å; F65-E67 VanDerWaalsContact C-N 3.31Å; F65-E67 PolarHBondContact O-N 3.49Å; E67-Q69 VanDerWaalsContact C-N 3.32Å; E67-Q69 PolarHBondContact O-N 2.96Å; E67-K70 WeakPolarHBondContact O-CB 2.94Å; E67-K70 PolarHBondContact O-N 3.26Å; E67-K70 VanDerWaalsContact O-N 3.11Å; E67-I103 HydrophobicContact CB-CD1 3.77Å; E67-I103 HydrophobicContact CG-CD1 4.13Å; E67-I103 VanDerWaalsContact O-CD1 3.23Å; E67-I103 WeakPolarHBondContact O-CD1 3.37Å |
| 68 | K | 92.1 | Very high | 90.7 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 178.4 | -176.2 | 170.3 | 174.1 | 170.2 | 0 | 112.6 | W64 F65 K70 I71 H130 F140 Y141 | W64-K68 HydrophobicContact CZ2-CD 4.04Å; W64-K68 WeakPolarHBondContact O-CB 3.42Å; W64-K68 PolarHBondContact O-N 3.35Å; F65-K68 PolarHBondContact O-N 3.34Å; K68-K70 PolarHBondContact O-N 2.94Å; K68-I71 PolarHBondContact O-N 2.95Å; K68-H130 PolarHBondContact NZ-O 3.01Å; K68-F140 VanDerWaalsContact CE-O 3.3Å; K68-F140 WeakPolarHBondContact CE-O 3.37Å; K68-F140 PolarHBondContact NZ-O 2.7Å; K68-F140 VanDerWaalsContact NZ-O 3.07Å; K68-Y141 HydrophobicContact CB-CD1 4.3Å; K68-Y141 HydrophobicContact CB-CE1 4.23Å; K68-Y141 HydrophobicContact CG-CD1 4.27Å |
| 69 | Q | 90 | Very high | 91.1 | Very high | 129 Ų | 129 | 65.9 Ų | 65.9 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63 | -28 | 177.3 | -76.9 | -177.7 | -2.8 | 0 | 0 | 113.5 | F65 E67 I71 | F65-Q69 WeakPolarHBondContact O-CG 3.5Å; F65-Q69 PolarHBondContact O-N 3.47Å; E67-Q69 VanDerWaalsContact C-N 3.32Å; E67-Q69 PolarHBondContact O-N 2.96Å; Q69-I71 PolarHBondContact O-N 3.26Å |
| 70 | K | 92.7 | Very high | 91.4 | Very high | 124 Ų | 124 | 63 Ų | 63 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.9 | 178.7 | -66.6 | 170.9 | -175.5 | 176.1 | 0 | 113.8 | I66 E67 K68 I103 | I66-K70 WeakPolarHBondContact O-CG 3.32Å; E67-K70 WeakPolarHBondContact O-CB 2.94Å; E67-K70 PolarHBondContact O-N 3.26Å; E67-K70 VanDerWaalsContact O-N 3.11Å; K68-K70 PolarHBondContact O-N 2.94Å; K70-I103 HydrophobicContact CB-CD1 4.3Å |
| 71 | I | 91.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -43.4 | -175.5 | -56.9 | -49 | 0 | 0 | 0 | 111.7 | K68 Q69 L74 H98 S101 I103 M105 Y141 | K68-I71 PolarHBondContact O-N 2.95Å; Q69-I71 PolarHBondContact O-N 3.26Å; I71-L74 HydrophobicContact CG2-CD2 3.4Å; I71-L74 HydrophobicContact CG2-CG 3.68Å; I71-H98 HydrophobicContact CD1-CB 4.4Å; I71-S101 WeakPolarHBondContact CD1-OG 3.48Å; I71-I103 HydrophobicContact CD1-CB 4.11Å; I71-I103 HydrophobicContact CD1-CD1 3.59Å; I71-I103 HydrophobicContact CD1-CG1 4.36Å; I71-I103 HydrophobicContact CD1-CG2 4.44Å; I71-I103 HydrophobicContact CG1-CD1 4.4Å; I71-M105 HydrophobicContact CD1-CE 3.21Å; I71-M105 HydrophobicContact CG1-CE 3.69Å; I71-M105 HydrophobicContact CG2-CE 4.15Å; I71-Y141 HydrophobicContact CG1-CD1 3.72Å; I71-Y141 HydrophobicContact CG1-CE1 4Å |
| 72 | G | 87.4 | Confident | 91.9 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | trans | 66.3 | -142.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 73 | E | 87.9 | Confident | 92.1 | Very high | 184 Ų | 184 | 67 Ų | 67 | 86% | 0.86 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -83.8 | 123.4 | 176 | -171.9 | 169.6 | -159.2 | 0 | 0 | 110.3 | ||
| 74 | L | 90.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 66.9 Ų | 66.9 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | trans | -73.1 | 129.5 | -177.5 | -78.5 | 165.5 | 0 | 0 | 0 | 112.1 | I71 L79 M105 F144 C153 | I71-L74 HydrophobicContact CG2-CD2 3.4Å; I71-L74 HydrophobicContact CG2-CG 3.68Å; L74-L79 HydrophobicContact CD2-CD2 4.35Å; L74-M105 HydrophobicContact CD2-CE 4.38Å; L74-M105 HydrophobicContact CD2-SD 4.33Å; L74-F144 HydrophobicContact CB-CD1 3.83Å; L74-F144 HydrophobicContact CB-CE1 4.16Å; L74-C153 HydrophobicContact CD1-CB 3.61Å | ||
| 75 | N | 87.6 | Confident | 92 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | trans | -116.3 | 136.7 | 168.2 | -174.7 | -10.9 | 0 | 0 | 0 | 111 | D77 E78 | N75-D77 PolarHBondContact O-N 2.61Å; N75-D77 PolarHBondContact OD1-N 2.91Å; N75-D77 VanDerWaalsContact OD1-N 3.12Å; N75-E78 HydrophobicContact CB-CG 4.14Å; N75-E78 PolarHBondContact O-N 2.79Å; N75-E78 VanDerWaalsContact O-N 3.09Å | ||
| 76 | G | 88.4 | Confident | 91.5 | Very high | 11 Ų | 11 | 69 Ų | 69 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -57.2 | -34.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E78 L79 F144 | G76-E78 PolarHBondContact O-N 2.81Å; G76-L79 PolarHBondContact O-N 3.26Å; G76-F144 VanDerWaalsContact CA-CE2 3.49Å; G76-F144 VanDerWaalsContact CA-CZ 3.49Å |
| 77 | D | 92.1 | Very high | 90.6 | Very high | 124 Ų | 124 | 73.4 Ų | 73.4 | 66% | 0.663 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -68.9 | -18.9 | 179.1 | -66.7 | -31.6 | 0 | 0 | 0 | 113 | N75 L79 K99 | N75-D77 PolarHBondContact O-N 2.61Å; N75-D77 PolarHBondContact OD1-N 2.91Å; N75-D77 VanDerWaalsContact OD1-N 3.12Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-K99 WeakPolarHBondContact O-CE 3.08Å; D77-K99 PolarHBondContact O-NZ 3.38Å |
| 78 | E | 94 | Very high | 89.2 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 31% | 0.308 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -88.8 | -4.7 | -179.8 | -65.6 | -179.7 | 157.1 | 0 | 0 | 112.8 | N75 G76 H98 K99 P100 | N75-E78 HydrophobicContact CB-CG 4.14Å; N75-E78 PolarHBondContact O-N 2.79Å; N75-E78 VanDerWaalsContact O-N 3.09Å; G76-E78 PolarHBondContact O-N 2.81Å; E78-H98 IonicContact OE2-NE2 3.78Å; E78-H98 PolarHBondContact OE2-NE2 3.29Å; E78-K99 VanDerWaalsContact CA-CE 3.5Å; E78-K99 WeakPolarHBondContact O-CB 3.43Å; E78-K99 WeakPolarHBondContact O-CE 3.44Å; E78-K99 WeakPolarHBondContact O-CG 3.15Å; E78-K99 PolarHBondContact O-N 3.45Å; E78-P100 HydrophobicContact CB-CG 4.28Å; E78-P100 HydrophobicContact CG-CG 4.26Å |
| 79 | L | 96.1 | Very high | 87.5 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115 | -178.6 | -60.1 | 177.6 | 0 | 0 | 0 | 111.4 | L74 G76 D77 V96 H98 M105 F144 | L74-L79 HydrophobicContact CD2-CD2 4.35Å; G76-L79 PolarHBondContact O-N 3.26Å; D77-L79 VanDerWaalsContact C-N 3.34Å; L79-V96 HydrophobicContact CB-CB 4.46Å; L79-V96 HydrophobicContact CD2-CG2 4.17Å; L79-H98 HydrophobicContact CD2-CB 4.08Å; L79-M105 HydrophobicContact CD2-SD 4.39Å; L79-F144 HydrophobicContact CD1-CE1 3.87Å; L79-F144 HydrophobicContact CD1-CZ 3.81Å |
| 80 | E | 96.5 | Very high | 86.2 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 41% | 0.407 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.5 | 172.9 | -178.4 | -167.8 | -171.1 | 0 | 0 | 110 | V96 R97 K99 | E80-V96 CarbonylContact O-C 3.58Å; E80-V96 WeakPolarHBondContact O-CA 3.49Å; E80-V96 WeakPolarHBondContact O-CB 3.41Å; E80-R97 HydrophobicContact CB-CB 4.37Å; E80-R97 PolarHBondContact N-O 3.35Å; E80-R97 PolarHBondContact O-N 2.91Å; E80-R97 IonicContact OE1-NH1 3.66Å; E80-R97 IonicContact OE2-CZ 3.65Å; E80-R97 IonicContact OE2-NH1 3.79Å; E80-R97 PolarHBondContact OE2-NH1 2.73Å; E80-K99 HydrophobicContact CB-CG 4.14Å |
| 81 | K | 96.3 | Very high | 85.4 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 47% | 0.47 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.3 | 174.2 | -178.1 | -179.7 | 178.3 | 170.4 | 0 | 110.4 | E84 M94 | K81-E84 IonicContact NZ-OE1 2.73Å; K81-E84 PolarHBondContact NZ-OE1 2.9Å; K81-M94 HydrophobicContact CD-CE 4.09Å; K81-M94 HydrophobicContact CD-SD 3.51Å; K81-M94 VanDerWaalsContact CD-SD 3.51Å; K81-M94 WeakPolarHBondContact CE-SD 3.5Å; K81-M94 HydrophobicContact CG-CE 4.27Å; K81-M94 HydrophobicContact CG-SD 4.01Å; K81-M94 PolarHBondContact NZ-SD 3.1Å |
| 82 | I | 97 | Very high | 85.2 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 36% | 0.359 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -57.5 | 175.4 | -63.8 | 169 | 0 | 0 | 0 | 110.7 | K95 R97 I104 | I82-K95 HydrophobicContact CB-CB 4.35Å; I82-K95 HydrophobicContact CB-CD 4.48Å; I82-K95 HydrophobicContact CB-CG 4.26Å; I82-K95 WeakPolarHBondContact CB-O 3.44Å; I82-K95 HydrophobicContact CD1-CG 4.24Å; I82-K95 HydrophobicContact CG2-CD 4.24Å; I82-K95 PolarHBondContact N-O 3.13Å; I82-R97 HydrophobicContact CD1-CB 3.96Å; I82-R97 HydrophobicContact CG1-CB 4.5Å; I82-I104 HydrophobicContact CD1-CD1 3.61Å |
| 83 | S | 94.5 | Very high | 85.4 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 161.8 | -175.9 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | M94 K95 | S83-M94 CarbonylContact O-C 3.47Å; S83-M94 WeakPolarHBondContact O-CA 3.33Å; S83-K95 PolarHBondContact N-O 2.74Å; S83-K95 PolarHBondContact O-N 2.89Å |
| 84 | E | 92.4 | Very high | 85.8 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 42% | 0.416 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 139.8 | 168.8 | -69.6 | 172.9 | -171 | 0 | 0 | 109.4 | K81 Y87 M94 | K81-E84 IonicContact NZ-OE1 2.73Å; K81-E84 PolarHBondContact NZ-OE1 2.9Å; E84-Y87 PolarHBondContact OE2-OH 3.16Å; E84-M94 HydrophobicContact CG-CG 4.37Å |
| 85 | L | 88.8 | Confident | 86.1 | Confident | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -30.8 | 179.4 | -64.6 | 177.9 | 0 | 0 | 0 | 111.6 | V93 K95 A106 Y156 L160 | L85-V93 HydrophobicContact CB-CB 4.47Å; L85-V93 HydrophobicContact CB-CG1 4.3Å; L85-V93 HydrophobicContact CD1-CG1 4.21Å; L85-V93 PolarHBondContact N-O 2.77Å; L85-K95 HydrophobicContact CD1-CB 4.11Å; L85-K95 HydrophobicContact CD2-CB 3.98Å; L85-K95 HydrophobicContact CG-CB 4Å; L85-A106 HydrophobicContact CD1-CB 4.19Å; L85-Y156 HydrophobicContact CD1-CD2 3.79Å; L85-Y156 HydrophobicContact CD1-CE2 3.68Å; L85-Y156 HydrophobicContact CD2-CE2 3.73Å; L85-Y156 HydrophobicContact CG-CE2 4.38Å; L85-L160 HydrophobicContact CD2-CD2 4.01Å |
| 86 | G | 80.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | 172.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V93 | G86-V93 PolarHBondContact N-O 3.19Å; G86-V93 PolarHBondContact O-N 2.77Å |
| 87 | Y | 72.9 | Confident | 87 | Confident | 172 Ų | 172 | 58.3 Ų | 58.3 | 68% | 0.675 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.8 | 175.6 | -62.4 | -95.1 | 0 | 0 | 0 | 107.7 | E84 V92 | E84-Y87 PolarHBondContact OE2-OH 3.16Å; Y87-V92 HydrophobicContact CD1-CG1 4.39Å; Y87-V92 HydrophobicContact CD1-CG2 3.74Å; Y87-V92 HydrophobicContact CE1-CG1 4.16Å; Y87-V92 HydrophobicContact CE1-CG2 3.75Å |
| 88 | G | 63.7 | Low | 87.3 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 173.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | G90 G91 | G88-G90 PolarHBondContact O-N 2.9Å; G88-G91 PolarHBondContact N-O 2.81Å; G88-G91 PolarHBondContact O-N 2.84Å; G88-G91 VanDerWaalsContact O-N 3.07Å |
| 89 | N | 55.7 | Low | 87.4 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.8 | 176.3 | -66.2 | -21.1 | 0 | 0 | 0 | 113.2 | F234 T237 | N89-F234 HydrophobicContact CB-CB 4.06Å; N89-F234 HydrophobicContact CB-CD1 4.08Å; N89-F234 HydrophobicContact CB-CD2 4.39Å; N89-F234 HydrophobicContact CB-CG 3.89Å; N89-F234 WeakPolarHBondContact O-CD2 3.28Å; N89-F234 WeakPolarHBondContact O-CE2 3.37Å; N89-F234 WeakPolarHBondContact O-CZ 3.42Å; N89-T237 PolarHBondContact ND2-OG1 3.14Å |
| 90 | G | 63.2 | Low | 87.4 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 4.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G88 I110 | G88-G90 PolarHBondContact O-N 2.9Å; G90-I110 WeakPolarHBondContact O-CG1 3.32Å; G90-I110 WeakPolarHBondContact O-CG2 3.36Å |
| 91 | G | 75.5 | Confident | 87.4 | Confident | 26 Ų | 26 | 56 Ų | 56 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.1 | -159.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G88 L109 | G88-G91 PolarHBondContact N-O 2.81Å; G88-G91 PolarHBondContact O-N 2.84Å; G88-G91 VanDerWaalsContact O-N 3.07Å; G91-L109 WeakPolarHBondContact CA-O 3.36Å |
| 92 | V | 87.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 137.8 | -171.5 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | Y87 M94 K108 L109 | Y87-V92 HydrophobicContact CD1-CG1 4.39Å; Y87-V92 HydrophobicContact CD1-CG2 3.74Å; Y87-V92 HydrophobicContact CE1-CG1 4.16Å; Y87-V92 HydrophobicContact CE1-CG2 3.75Å; V92-M94 HydrophobicContact CG1-CG 4.02Å; V92-K108 WeakPolarHBondContact O-CA 3.42Å; V92-L109 PolarHBondContact N-O 3.16Å; V92-L109 PolarHBondContact O-N 3.06Å |
| 93 | V | 93 | Very high | 87.3 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.1 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | L85 G86 A106 R107 K108 | L85-V93 HydrophobicContact CB-CB 4.47Å; L85-V93 HydrophobicContact CB-CG1 4.3Å; L85-V93 HydrophobicContact CD1-CG1 4.21Å; L85-V93 PolarHBondContact N-O 2.77Å; G86-V93 PolarHBondContact N-O 3.19Å; G86-V93 PolarHBondContact O-N 2.77Å; V93-A106 HydrophobicContact CG1-CB 4.22Å; V93-R107 WeakPolarHBondContact CA-O 3.12Å; V93-K108 HydrophobicContact CG2-CB 4.19Å; V93-K108 HydrophobicContact CG2-CD 4.33Å; V93-K108 HydrophobicContact CG2-CG 4.06Å |
| 94 | M | 94.9 | Very high | 87.5 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.7 | -178.1 | -51.6 | -165.8 | -58 | 0 | 0 | 111.1 | K81 S83 E84 V92 V96 A106 R107 L109 | K81-M94 HydrophobicContact CD-CE 4.09Å; K81-M94 HydrophobicContact CD-SD 3.51Å; K81-M94 VanDerWaalsContact CD-SD 3.51Å; K81-M94 WeakPolarHBondContact CE-SD 3.5Å; K81-M94 HydrophobicContact CG-CE 4.27Å; K81-M94 HydrophobicContact CG-SD 4.01Å; K81-M94 PolarHBondContact NZ-SD 3.1Å; S83-M94 CarbonylContact O-C 3.47Å; S83-M94 WeakPolarHBondContact O-CA 3.33Å; E84-M94 HydrophobicContact CG-CG 4.37Å; V92-M94 HydrophobicContact CG1-CG 4.02Å; M94-V96 HydrophobicContact CB-CG1 4.25Å; M94-A106 CarbonylContact O-C 3.56Å; M94-A106 WeakPolarHBondContact O-CA 3.18Å; M94-R107 PolarHBondContact N-O 2.74Å; M94-R107 PolarHBondContact O-N 2.87Å; M94-L109 HydrophobicContact CE-CD1 3.56Å; M94-L109 HydrophobicContact CE-CD2 4.42Å; M94-L109 HydrophobicContact CG-CD1 3.95Å; M94-L109 HydrophobicContact SD-CD1 4.1Å |
| 95 | K | 97.1 | Very high | 87.7 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125 | 164.7 | -170.1 | 176.2 | -175.5 | 169 | 0 | 108.3 | I82 S83 L85 I104 M105 Y156 | I82-K95 HydrophobicContact CB-CB 4.35Å; I82-K95 HydrophobicContact CB-CD 4.48Å; I82-K95 HydrophobicContact CB-CG 4.26Å; I82-K95 WeakPolarHBondContact CB-O 3.44Å; I82-K95 HydrophobicContact CD1-CG 4.24Å; I82-K95 HydrophobicContact CG2-CD 4.24Å; I82-K95 PolarHBondContact N-O 3.13Å; S83-K95 PolarHBondContact N-O 2.74Å; S83-K95 PolarHBondContact O-N 2.89Å; L85-K95 HydrophobicContact CD1-CB 4.11Å; L85-K95 HydrophobicContact CD2-CB 3.98Å; L85-K95 HydrophobicContact CG-CB 4Å; K95-I104 HydrophobicContact CD-CG2 4.33Å; K95-I104 VanDerWaalsContact CE-CG2 3.47Å; K95-I104 HydrophobicContact CG-CG2 3.89Å; K95-M105 WeakPolarHBondContact CA-O 3.49Å; K95-Y156 HydrophobicContact CD-CE1 4.15Å; K95-Y156 HydrophobicContact CD-CE2 4.18Å; K95-Y156 VanDerWaalsContact CE-CE1 3.47Å; K95-Y156 HydrophobicContact CG-CD2 4.46Å; K95-Y156 HydrophobicContact CG-CE2 4.36Å; K95-Y156 PolarHBondContact NZ-OH 3.24Å |
| 96 | V | 97.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.2 | -180 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | L79 E80 M94 I104 M105 R107 | L79-V96 HydrophobicContact CB-CB 4.46Å; L79-V96 HydrophobicContact CD2-CG2 4.17Å; E80-V96 CarbonylContact O-C 3.58Å; E80-V96 WeakPolarHBondContact O-CA 3.49Å; E80-V96 WeakPolarHBondContact O-CB 3.41Å; M94-V96 HydrophobicContact CB-CG1 4.25Å; V96-I104 WeakPolarHBondContact O-CA 3.26Å; V96-M105 HydrophobicContact CG2-CB 3.85Å; V96-M105 PolarHBondContact N-O 3.03Å; V96-M105 PolarHBondContact O-N 3Å; V96-R107 HydrophobicContact CG1-CB 3.76Å; V96-R107 HydrophobicContact CG2-CB 3.87Å |
| 97 | R | 97.9 | Very high | 88.8 | Confident | 92 Ų | 92 | 45.2 Ų | 45.2 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.8 | 168.5 | -179.9 | -177.6 | -63.3 | 122.7 | -3.3 | 109.2 | E80 I82 K99 I103 I104 | E80-R97 HydrophobicContact CB-CB 4.37Å; E80-R97 PolarHBondContact N-O 3.35Å; E80-R97 PolarHBondContact O-N 2.91Å; E80-R97 IonicContact OE1-NH1 3.66Å; E80-R97 IonicContact OE2-CZ 3.65Å; E80-R97 IonicContact OE2-NH1 3.79Å; E80-R97 PolarHBondContact OE2-NH1 2.73Å; I82-R97 HydrophobicContact CD1-CB 3.96Å; I82-R97 HydrophobicContact CG1-CB 4.5Å; R97-K99 PolarHBondContact O-N 3.45Å; R97-I103 WeakPolarHBondContact CA-O 3.46Å; R97-I104 HydrophobicContact CB-CD1 3.93Å; R97-I104 HydrophobicContact CG-CD1 4.12Å |
| 98 | H | 97.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 108.9 | 167.6 | -177.6 | -116.1 | 0 | 0 | 0 | 109.1 | I71 E78 L79 S101 G102 I103 M105 | I71-H98 HydrophobicContact CD1-CB 4.4Å; E78-H98 IonicContact OE2-NE2 3.78Å; E78-H98 PolarHBondContact OE2-NE2 3.29Å; L79-H98 HydrophobicContact CD2-CB 4.08Å; H98-S101 PolarHBondContact ND1-N 3.03Å; H98-S101 PolarHBondContact ND1-OG 3.44Å; H98-S101 PolarHBondContact O-N 3.16Å; H98-G102 WeakPolarHBondContact O-CA 3.4Å; H98-G102 PolarHBondContact O-N 3.31Å; H98-I103 PolarHBondContact N-O 3.16Å; H98-M105 HydrophobicContact CB-CE 3.55Å; H98-M105 HydrophobicContact CB-SD 4.36Å |
| 99 | K | 96.9 | Very high | 91 | Very high | 125 Ų | 125 | 36.6 Ų | 36.6 | 54% | 0.543 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -44.8 | -172.4 | -67.8 | 179.2 | -68.2 | -177.3 | 0 | 113.2 | D77 E78 E80 R97 S101 | D77-K99 WeakPolarHBondContact O-CE 3.08Å; D77-K99 PolarHBondContact O-NZ 3.38Å; E78-K99 VanDerWaalsContact CA-CE 3.5Å; E78-K99 WeakPolarHBondContact O-CB 3.43Å; E78-K99 WeakPolarHBondContact O-CE 3.44Å; E78-K99 WeakPolarHBondContact O-CG 3.15Å; E78-K99 PolarHBondContact O-N 3.45Å; E80-K99 HydrophobicContact CB-CG 4.14Å; R97-K99 PolarHBondContact O-N 3.45Å; K99-S101 PolarHBondContact O-N 2.96Å |
| 100 | P | 95.8 | Very high | 92.4 | Very high | 85 Ų | 85 | 33.8 Ų | 33.8 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -39.3 | -178.3 | -23.8 | 33.8 | 0 | 0 | 0 | 114.2 | E78 | E78-P100 HydrophobicContact CB-CG 4.28Å; E78-P100 HydrophobicContact CG-CG 4.26Å |
| 101 | S | 95.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -14.6 | -174.6 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | I71 H98 K99 I103 | I71-S101 WeakPolarHBondContact CD1-OG 3.48Å; H98-S101 PolarHBondContact ND1-N 3.03Å; H98-S101 PolarHBondContact ND1-OG 3.44Å; H98-S101 PolarHBondContact O-N 3.16Å; K99-S101 PolarHBondContact O-N 2.96Å; S101-I103 PolarHBondContact O-N 3.06Å; S101-I103 WeakPolarHBondContact OG-CB 3.36Å; S101-I103 WeakPolarHBondContact OG-CG1 3.44Å; S101-I103 PolarHBondContact OG-N 3.47Å |
| 102 | G | 96.3 | Very high | 93.5 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | trans | 72.7 | 0.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H98 | H98-G102 WeakPolarHBondContact O-CA 3.4Å; H98-G102 PolarHBondContact O-N 3.31Å | ||
| 103 | I | 96.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | trans | -70.6 | 137.9 | -175.6 | -70.3 | 167.6 | 0 | 0 | 0 | 110.7 | E67 K70 I71 R97 H98 S101 M105 Y141 | E67-I103 HydrophobicContact CB-CD1 3.77Å; E67-I103 HydrophobicContact CG-CD1 4.13Å; E67-I103 VanDerWaalsContact O-CD1 3.23Å; E67-I103 WeakPolarHBondContact O-CD1 3.37Å; K70-I103 HydrophobicContact CB-CD1 4.3Å; I71-I103 HydrophobicContact CD1-CB 4.11Å; I71-I103 HydrophobicContact CD1-CD1 3.59Å; I71-I103 HydrophobicContact CD1-CG1 4.36Å; I71-I103 HydrophobicContact CD1-CG2 4.44Å; I71-I103 HydrophobicContact CG1-CD1 4.4Å; R97-I103 WeakPolarHBondContact CA-O 3.46Å; H98-I103 PolarHBondContact N-O 3.16Å; S101-I103 PolarHBondContact O-N 3.06Å; S101-I103 WeakPolarHBondContact OG-CB 3.36Å; S101-I103 WeakPolarHBondContact OG-CG1 3.44Å; S101-I103 PolarHBondContact OG-N 3.47Å; I103-M105 HydrophobicContact CB-CE 4.34Å; I103-M105 HydrophobicContact CG2-CE 4Å; I103-M105 HydrophobicContact CG2-CG 4.14Å; I103-Y141 HydrophobicContact CG2-CE1 4.47Å; I103-Y141 HydrophobicContact CG2-CE2 4.27Å; I103-Y141 WeakPolarHBondContact CG2-OH 2.88Å | ||
| 104 | I | 97.6 | Very high | 92.7 | Very high | 52 Ų | 52 | 45 Ų | 45 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.2 | 175.2 | -56.4 | -59 | 0 | 0 | 0 | 109.7 | I82 K95 V96 R97 Y156 | I82-I104 HydrophobicContact CD1-CD1 3.61Å; K95-I104 HydrophobicContact CD-CG2 4.33Å; K95-I104 VanDerWaalsContact CE-CG2 3.47Å; K95-I104 HydrophobicContact CG-CG2 3.89Å; V96-I104 WeakPolarHBondContact O-CA 3.26Å; R97-I104 HydrophobicContact CB-CD1 3.93Å; R97-I104 HydrophobicContact CG-CD1 4.12Å; I104-Y156 HydrophobicContact CG2-CD1 3.72Å; I104-Y156 HydrophobicContact CG2-CE1 4.43Å; I104-Y156 HydrophobicContact CG2-CG 3.99Å |
| 105 | M | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161.2 | -177.2 | -51.2 | 177.8 | -178.5 | 0 | 0 | 111.5 | I71 L74 L79 K95 V96 H98 I103 Y141 C153 M154 | I71-M105 HydrophobicContact CD1-CE 3.21Å; I71-M105 HydrophobicContact CG1-CE 3.69Å; I71-M105 HydrophobicContact CG2-CE 4.15Å; L74-M105 HydrophobicContact CD2-CE 4.38Å; L74-M105 HydrophobicContact CD2-SD 4.33Å; L79-M105 HydrophobicContact CD2-SD 4.39Å; K95-M105 WeakPolarHBondContact CA-O 3.49Å; V96-M105 HydrophobicContact CG2-CB 3.85Å; V96-M105 PolarHBondContact N-O 3.03Å; V96-M105 PolarHBondContact O-N 3Å; H98-M105 HydrophobicContact CB-CE 3.55Å; H98-M105 HydrophobicContact CB-SD 4.36Å; I103-M105 HydrophobicContact CB-CE 4.34Å; I103-M105 HydrophobicContact CG2-CE 4Å; I103-M105 HydrophobicContact CG2-CG 4.14Å; M105-Y141 HydrophobicContact CB-CD2 4.32Å; M105-Y141 HydrophobicContact CB-CE2 4.38Å; M105-Y141 HydrophobicContact CE-CD1 4.34Å; M105-Y141 HydrophobicContact CE-CD2 4.04Å; M105-Y141 HydrophobicContact CE-CE2 4.27Å; M105-Y141 HydrophobicContact CE-CG 4.07Å; M105-Y141 HydrophobicContact CG-CD2 3.72Å; M105-Y141 HydrophobicContact CG-CE2 3.68Å; M105-Y141 HydrophobicContact SD-CD2 3.79Å; M105-Y141 HydrophobicContact SD-CE2 4.28Å; M105-Y141 HydrophobicContact SD-CG 4.18Å; M105-C153 HydrophobicContact SD-CB 3.95Å; M105-M154 WeakPolarHBondContact CA-O 3.48Å; M105-M154 WeakPolarHBondContact CB-O 3.34Å |
| 106 | A | 96.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L85 V93 M94 C153 M154 | L85-A106 HydrophobicContact CD1-CB 4.19Å; V93-A106 HydrophobicContact CG1-CB 4.22Å; M94-A106 CarbonylContact O-C 3.56Å; M94-A106 WeakPolarHBondContact O-CA 3.18Å; A106-C153 WeakPolarHBondContact O-CA 3.26Å; A106-M154 PolarHBondContact N-O 2.83Å; A106-M154 PolarHBondContact O-N 2.56Å |
| 107 | R | 95.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 57 Ų | 57 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.9 | 173.8 | -177.8 | -175.6 | 178.7 | -179.1 | -2.2 | 109.3 | V93 M94 V96 L109 S151 M152 | V93-R107 WeakPolarHBondContact CA-O 3.12Å; M94-R107 PolarHBondContact N-O 2.74Å; M94-R107 PolarHBondContact O-N 2.87Å; V96-R107 HydrophobicContact CG1-CB 3.76Å; V96-R107 HydrophobicContact CG2-CB 3.87Å; R107-L109 HydrophobicContact CG-CD1 4.22Å; R107-L109 HydrophobicContact CG-CG 4.36Å; R107-S151 PolarHBondContact NE-OG 3.42Å; R107-S151 PolarHBondContact NH2-OG 2.8Å; R107-M152 CarbonylContact C-O 3.5Å; R107-M152 WeakPolarHBondContact CA-O 3.36Å |
| 108 | K | 91.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.065 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.1 | 170.9 | -177.4 | 170.3 | -179.1 | 176.3 | 0 | 109.5 | V92 V93 I110 S151 M152 M154 D219 | V92-K108 WeakPolarHBondContact O-CA 3.42Å; V93-K108 HydrophobicContact CG2-CB 4.19Å; V93-K108 HydrophobicContact CG2-CD 4.33Å; V93-K108 HydrophobicContact CG2-CG 4.06Å; K108-I110 HydrophobicContact CG-CG1 4.14Å; K108-S151 WeakPolarHBondContact O-CA 3.45Å; K108-M152 HydrophobicContact CB-CB 4.39Å; K108-M152 PolarHBondContact N-O 3.41Å; K108-M152 PolarHBondContact O-N 3.43Å; K108-M154 HydrophobicContact CB-CE 3.81Å; K108-M154 HydrophobicContact CD-CE 4.44Å; K108-D219 IonicContact NZ-OD1 3.67Å; K108-D219 PolarHBondContact NZ-OD1 2.72Å; K108-D219 IonicContact NZ-OD2 2.66Å; K108-D219 PolarHBondContact NZ-OD2 2.96Å |
| 109 | L | 90.7 | Very high | 90.4 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124 | 176.8 | -57.8 | 97.4 | 0 | 0 | 0 | 109 | G91 V92 M94 R107 E149 | G91-L109 WeakPolarHBondContact CA-O 3.36Å; V92-L109 PolarHBondContact N-O 3.16Å; V92-L109 PolarHBondContact O-N 3.06Å; M94-L109 HydrophobicContact CE-CD1 3.56Å; M94-L109 HydrophobicContact CE-CD2 4.42Å; M94-L109 HydrophobicContact CG-CD1 3.95Å; M94-L109 HydrophobicContact SD-CD1 4.1Å; R107-L109 HydrophobicContact CG-CD1 4.22Å; R107-L109 HydrophobicContact CG-CG 4.36Å; L109-E149 WeakPolarHBondContact CD2-OE2 3.42Å |
| 110 | I | 87 | Confident | 89.9 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 109.1 | -179 | -48.8 | 179.8 | 0 | 0 | 0 | 107.6 | G90 K108 L112 I150 M152 L226 M230 | G90-I110 WeakPolarHBondContact O-CG1 3.32Å; G90-I110 WeakPolarHBondContact O-CG2 3.36Å; K108-I110 HydrophobicContact CG-CG1 4.14Å; I110-L112 HydrophobicContact CB-CD1 4.34Å; I110-L112 HydrophobicContact CG2-CD1 3.69Å; I110-L112 HydrophobicContact CG2-CG 3.93Å; I110-I150 HydrophobicContact CB-CB 4.46Å; I110-I150 PolarHBondContact N-O 3.33Å; I110-I150 PolarHBondContact O-N 2.65Å; I110-M152 HydrophobicContact CD1-SD 3.76Å; I110-L226 HydrophobicContact CD1-CD1 4.33Å; I110-L226 HydrophobicContact CD1-CD2 4.16Å; I110-L226 HydrophobicContact CG2-CD1 4.31Å; I110-M230 HydrophobicContact CG2-SD 4.4Å |
| 111 | H | 84.5 | Confident | 89.5 | Confident | 117 Ų | 117 | 55.2 Ų | 55.2 | 54% | 0.542 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 123 | 173.9 | -170.3 | 79.6 | 0 | 0 | 0 | 110 | E149 | H111-E149 HydrophobicContact CB-CG 4.48Å; H111-E149 IonicContact ND1-OE1 3.59Å |
| 112 | L | 76.8 | Confident | 89.1 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -137.5 | 115.5 | -175.8 | -80.1 | 150.8 | 0 | 0 | 0 | 111.2 | I110 V114 I122 I150 L226 | I110-L112 HydrophobicContact CB-CD1 4.34Å; I110-L112 HydrophobicContact CG2-CD1 3.69Å; I110-L112 HydrophobicContact CG2-CG 3.93Å; L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 HydrophobicContact CB-CG1 4.44Å; L112-V114 HydrophobicContact CB-CG2 4.16Å; L112-V114 HydrophobicContact CD2-CG1 4.25Å; L112-V114 PolarHBondContact O-N 2.97Å; L112-V114 VanDerWaalsContact O-N 3.07Å; L112-I122 HydrophobicContact CD1-CD1 4.43Å; L112-I150 HydrophobicContact CD1-CD1 3.52Å; L112-I150 HydrophobicContact CD1-CG1 4.04Å; L112-L226 HydrophobicContact CD1-CD1 3.58Å; L112-L226 HydrophobicContact CD2-CD1 4.41Å | ||
| 113 | E | 81.2 | Confident | 88.7 | Confident | 184 Ų | 184 | 53.1 Ų | 53.1 | 86% | 0.86 | 27% | 0.271 | S | S | * | . | trans | -83.8 | 71.7 | 169.6 | -65.2 | -171.4 | 167.9 | 0 | 0 | 110.7 | ||||
| 114 | V | 81.6 | Confident | 88.2 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | trans | -123.3 | 156.1 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 112 | L112 T118 R119 | L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 HydrophobicContact CB-CG1 4.44Å; L112-V114 HydrophobicContact CB-CG2 4.16Å; L112-V114 HydrophobicContact CD2-CG1 4.25Å; L112-V114 PolarHBondContact O-N 2.97Å; L112-V114 VanDerWaalsContact O-N 3.07Å; V114-T118 HydrophobicContact CB-CG2 4.27Å; V114-R119 HydrophobicContact CG2-CB 4.04Å | ||
| 115 | K | 87.1 | Confident | 87.6 | Confident | 155 Ų | 155 | 58.5 Ų | 58.5 | 67% | 0.674 | 29% | 0.293 | S | S | * | . | trans | -58.9 | 147.5 | 175.9 | -65.5 | -178.6 | -177.3 | 178.1 | 0 | 110.5 | S117 T118 R119 | K115-S117 PolarHBondContact O-N 3.04Å; K115-S117 VanDerWaalsContact O-N 3.12Å; K115-T118 PolarHBondContact O-N 3.15Å; K115-T118 VanDerWaalsContact O-N 3.07Å; K115-R119 PolarHBondContact O-N 2.93Å | ||
| 116 | P | 87.2 | Confident | 87.2 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.8 | -34.2 | 179 | -28.4 | 35.3 | 0 | 0 | 0 | 114.3 | R119 N120 | P116-R119 PolarHBondContact O-N 3.35Å; P116-N120 VanDerWaalsContact O-CG 3.23Å; P116-N120 PolarHBondContact O-N 3.34Å; P116-N120 PolarHBondContact O-ND2 2.85Å |
| 117 | S | 88.4 | Confident | 86.6 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 57% | 0.566 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.8 | -48.6 | 176 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | K115 R119 N120 Q121 | K115-S117 PolarHBondContact O-N 3.04Å; K115-S117 VanDerWaalsContact O-N 3.12Å; S117-R119 VanDerWaalsContact C-N 3.32Å; S117-R119 PolarHBondContact O-N 2.89Å; S117-N120 PolarHBondContact O-N 3.38Å; S117-Q121 PolarHBondContact O-N 2.98Å |
| 118 | T | 86.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | V114 K115 Q121 I122 | V114-T118 HydrophobicContact CB-CG2 4.27Å; K115-T118 PolarHBondContact O-N 3.15Å; K115-T118 VanDerWaalsContact O-N 3.07Å; T118-Q121 WeakPolarHBondContact O-CB 3.18Å; T118-Q121 PolarHBondContact O-N 2.85Å; T118-I122 HydrophobicContact CG2-CD1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.42Å; T118-I122 PolarHBondContact O-N 2.85Å |
| 119 | R | 87.5 | Confident | 85.7 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 174.9 | 180 | -167.5 | -62.8 | 165.6 | 1.2 | 112.3 | V114 K115 P116 S117 Q121 I122 I123 Y145 | V114-R119 HydrophobicContact CG2-CB 4.04Å; K115-R119 PolarHBondContact O-N 2.93Å; P116-R119 PolarHBondContact O-N 3.35Å; S117-R119 VanDerWaalsContact C-N 3.32Å; S117-R119 PolarHBondContact O-N 2.89Å; R119-Q121 PolarHBondContact O-N 2.92Å; R119-I122 WeakPolarHBondContact O-CB 3.33Å; R119-I122 PolarHBondContact O-N 2.85Å; R119-I122 VanDerWaalsContact O-N 3.14Å; R119-I123 HydrophobicContact CG-CD1 4.27Å; R119-I123 WeakPolarHBondContact O-CG1 3.09Å; R119-I123 PolarHBondContact O-N 2.85Å; R119-Y145 HydrophobicContact CG-CD2 4.01Å; R119-Y145 HydrophobicContact CG-CE2 4.42Å; R119-Y145 HydrophobicContact CG-CG 4.32Å; R119-Y145 PolarHBondContact NH1-OH 3.1Å; R119-Y145 PolarHBondContact NH2-OH 3.06Å; R119-Y145 VanDerWaalsContact NH2-OH 3.1Å |
| 120 | N | 87 | Confident | 85.4 | Confident | 103 Ų | 103 | 68.6 Ų | 68.6 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.9 | -35.2 | 178.6 | -70.7 | -12.6 | 0 | 0 | 0 | 111.4 | P116 S117 K124 | P116-N120 VanDerWaalsContact O-CG 3.23Å; P116-N120 PolarHBondContact O-N 3.34Å; P116-N120 PolarHBondContact O-ND2 2.85Å; S117-N120 PolarHBondContact O-N 3.38Å; N120-K124 WeakPolarHBondContact O-CB 3.38Å; N120-K124 PolarHBondContact O-N 2.83Å |
| 121 | Q | 87.7 | Confident | 85.2 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 172.4 | -178.4 | 174.6 | -4.3 | 0 | 0 | 111.9 | S117 T118 R119 I123 K124 E125 Q225 | S117-Q121 PolarHBondContact O-N 2.98Å; T118-Q121 WeakPolarHBondContact O-CB 3.18Å; T118-Q121 PolarHBondContact O-N 2.85Å; R119-Q121 PolarHBondContact O-N 2.92Å; Q121-I123 PolarHBondContact O-N 3.02Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 2.93Å; Q121-E125 VanDerWaalsContact CG-OE1 3.29Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.37Å; Q121-E125 PolarHBondContact NE2-OE1 3.33Å; Q121-E125 WeakPolarHBondContact O-CG 3.16Å; Q121-E125 PolarHBondContact O-N 3.24Å; Q121-Q225 HydrophobicContact CG-CG 4.41Å |
| 122 | I | 86.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 175.7 | -68.3 | 165.5 | 0 | 0 | 0 | 110.6 | L112 T118 R119 K124 E125 L126 I150 Q225 L226 | L112-I122 HydrophobicContact CD1-CD1 4.43Å; T118-I122 HydrophobicContact CG2-CD1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.42Å; T118-I122 PolarHBondContact O-N 2.85Å; R119-I122 WeakPolarHBondContact O-CB 3.33Å; R119-I122 PolarHBondContact O-N 2.85Å; R119-I122 VanDerWaalsContact O-N 3.14Å; I122-K124 VanDerWaalsContact C-N 3.27Å; I122-K124 PolarHBondContact O-N 3.08Å; I122-E125 PolarHBondContact O-N 2.88Å; I122-L126 HydrophobicContact CG2-CD1 3.96Å; I122-L126 HydrophobicContact CG2-CG 4.28Å; I122-L126 VanDerWaalsContact O-CG 3.31Å; I122-L126 WeakPolarHBondContact O-CG 3.43Å; I122-L126 PolarHBondContact O-N 2.73Å; I122-I150 HydrophobicContact CB-CD1 4.15Å; I122-I150 HydrophobicContact CD1-CD1 4.44Å; I122-I150 HydrophobicContact CG2-CD1 3.58Å; I122-Q225 HydrophobicContact CD1-CB 4.4Å; I122-Q225 HydrophobicContact CG1-CB 3.77Å; I122-L226 HydrophobicContact CG2-CB 4.21Å; I122-L226 HydrophobicContact CG2-CD1 4.17Å |
| 123 | I | 87.1 | Confident | 85.9 | Confident | 32 Ų | 32 | 66.7 Ų | 66.7 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 179.1 | -63.3 | 169.3 | 0 | 0 | 0 | 110.7 | R119 Q121 L126 K127 | R119-I123 HydrophobicContact CG-CD1 4.27Å; R119-I123 WeakPolarHBondContact O-CG1 3.09Å; R119-I123 PolarHBondContact O-N 2.85Å; Q121-I123 PolarHBondContact O-N 3.02Å; I123-L126 PolarHBondContact O-N 2.85Å; I123-K127 PolarHBondContact O-N 2.91Å |
| 124 | K | 86.2 | Confident | 86.4 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 176.9 | -171.9 | 179.4 | 177.7 | -177.9 | 0 | 111.9 | N120 Q121 I122 K127 | N120-K124 WeakPolarHBondContact O-CB 3.38Å; N120-K124 PolarHBondContact O-N 2.83Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 2.93Å; I122-K124 VanDerWaalsContact C-N 3.27Å; I122-K124 PolarHBondContact O-N 3.08Å; K124-K127 WeakPolarHBondContact O-CB 3.1Å; K124-K127 PolarHBondContact O-N 2.84Å |
| 125 | E | 86.5 | Confident | 87.1 | Confident | 48 Ų | 48 | 57 Ų | 57 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 176.2 | -72.5 | 171.8 | -163.5 | 0 | 0 | 111.4 | Q121 I122 K127 V128 S223 | Q121-E125 VanDerWaalsContact CG-OE1 3.29Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.37Å; Q121-E125 PolarHBondContact NE2-OE1 3.33Å; Q121-E125 WeakPolarHBondContact O-CG 3.16Å; Q121-E125 PolarHBondContact O-N 3.24Å; I122-E125 PolarHBondContact O-N 2.88Å; E125-K127 PolarHBondContact O-N 3Å; E125-V128 WeakPolarHBondContact O-CB 3.39Å; E125-V128 WeakPolarHBondContact O-CG2 3.25Å; E125-V128 PolarHBondContact O-N 3.01Å; E125-V128 VanDerWaalsContact O-N 3.11Å; E125-S223 VanDerWaalsContact OE2-CA 3.24Å; E125-S223 WeakPolarHBondContact OE2-CA 3.18Å; E125-S223 WeakPolarHBondContact OE2-CB 3.24Å; E125-S223 PolarHBondContact OE2-OG 2.91Å |
| 126 | L | 87.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -21.2 | 175.7 | -70.4 | 174.9 | 0 | 0 | 0 | 113.2 | I122 I123 V128 L129 A143 I150 M152 L226 | I122-L126 HydrophobicContact CG2-CD1 3.96Å; I122-L126 HydrophobicContact CG2-CG 4.28Å; I122-L126 VanDerWaalsContact O-CG 3.31Å; I122-L126 WeakPolarHBondContact O-CG 3.43Å; I122-L126 PolarHBondContact O-N 2.73Å; I123-L126 PolarHBondContact O-N 2.85Å; L126-V128 PolarHBondContact O-N 2.8Å; L126-L129 HydrophobicContact CD2-CD1 3.71Å; L126-L129 VanDerWaalsContact O-CB 3.25Å; L126-L129 WeakPolarHBondContact O-CB 3.33Å; L126-L129 PolarHBondContact O-N 3.33Å; L126-L129 VanDerWaalsContact O-N 3.07Å; L126-A143 HydrophobicContact CB-CB 4.33Å; L126-A143 HydrophobicContact CD1-CB 4Å; L126-I150 HydrophobicContact CD1-CG2 4.03Å; L126-M152 HydrophobicContact CD1-CG 4.21Å; L126-M152 HydrophobicContact CD1-SD 4.21Å; L126-M152 HydrophobicContact CD2-CE 3.92Å; L126-M152 HydrophobicContact CD2-SD 4.17Å; L126-L226 HydrophobicContact CD2-CD2 4.4Å |
| 127 | K | 83.6 | Confident | 87.9 | Confident | 134 Ų | 134 | 47.6 Ų | 47.6 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -61.5 | -22.5 | 173.9 | -66.7 | -173.2 | 176 | -170.8 | 0 | 112.9 | I123 K124 E125 L129 H130 | I123-K127 PolarHBondContact O-N 2.91Å; K124-K127 WeakPolarHBondContact O-CB 3.1Å; K124-K127 PolarHBondContact O-N 2.84Å; E125-K127 PolarHBondContact O-N 3Å; K127-L129 PolarHBondContact O-N 3.3Å; K127-H130 WeakPolarHBondContact O-CB 3.41Å; K127-H130 PolarHBondContact O-N 3.16Å |
| 128 | V | 82.5 | Confident | 88.3 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 39% | 0.394 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -60.7 | -32.4 | 175 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | E125 L126 H130 Y131 I197 V222 | E125-V128 WeakPolarHBondContact O-CB 3.39Å; E125-V128 WeakPolarHBondContact O-CG2 3.25Å; E125-V128 PolarHBondContact O-N 3.01Å; E125-V128 VanDerWaalsContact O-N 3.11Å; L126-V128 PolarHBondContact O-N 2.8Å; V128-H130 PolarHBondContact O-N 3.12Å; V128-H130 VanDerWaalsContact O-N 3.11Å; V128-Y131 PolarHBondContact O-N 3.29Å; V128-Y131 VanDerWaalsContact O-N 3.1Å; V128-I197 HydrophobicContact CG1-CD1 4.35Å; V128-V222 HydrophobicContact CB-CG1 3.93Å; V128-V222 HydrophobicContact CG1-CG1 4.26Å |
| 129 | L | 86 | Confident | 88.6 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -59.9 | -23.3 | 175.9 | -68.6 | 170.2 | 0 | 0 | 0 | 112.9 | L126 K127 Y131 C132 F140 M152 F220 V222 | L126-L129 HydrophobicContact CD2-CD1 3.71Å; L126-L129 VanDerWaalsContact O-CB 3.25Å; L126-L129 WeakPolarHBondContact O-CB 3.33Å; L126-L129 PolarHBondContact O-N 3.33Å; L126-L129 VanDerWaalsContact O-N 3.07Å; K127-L129 PolarHBondContact O-N 3.3Å; L129-Y131 PolarHBondContact O-N 3.04Å; L129-C132 WeakPolarHBondContact O-CB 3.46Å; L129-C132 PolarHBondContact O-N 3.24Å; L129-C132 VanDerWaalsContact O-N 3.12Å; L129-F140 HydrophobicContact CB-CB 3.96Å; L129-F140 HydrophobicContact CB-CD1 3.41Å; L129-F140 VanDerWaalsContact CB-CD1 3.41Å; L129-F140 HydrophobicContact CB-CD2 3.99Å; L129-F140 HydrophobicContact CB-CE1 3.71Å; L129-F140 HydrophobicContact CB-CE2 4.28Å; L129-F140 HydrophobicContact CB-CG 3.53Å; L129-F140 HydrophobicContact CB-CZ 4.12Å; L129-F140 HydrophobicContact CD1-CD2 3.92Å; L129-F140 HydrophobicContact CD1-CE1 4.47Å; L129-F140 HydrophobicContact CD1-CE2 3.76Å; L129-F140 HydrophobicContact CD1-CG 4.34Å; L129-F140 HydrophobicContact CD1-CZ 4.02Å; L129-M152 HydrophobicContact CD1-CE 3.71Å; L129-F220 HydrophobicContact CD2-CD2 4.37Å; L129-F220 HydrophobicContact CD2-CE1 4.03Å; L129-F220 HydrophobicContact CD2-CE2 3.38Å; L129-F220 HydrophobicContact CD2-CZ 3.14Å; L129-V222 HydrophobicContact CD2-CB 4.36Å; L129-V222 HydrophobicContact CD2-CG2 3.43Å; L129-V222 VanDerWaalsContact CD2-CG2 3.43Å; L129-V222 HydrophobicContact CG-CB 4.4Å; L129-V222 HydrophobicContact CG-CG1 4.43Å; L129-V222 HydrophobicContact CG-CG2 3.97Å |
| 130 | H | 84.6 | Confident | 89 | Confident | 70 Ų | 70 | 41 Ų | 41 | 32% | 0.324 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -66.7 | -23.7 | 179.5 | -133.5 | 72.7 | 0 | 0 | 0 | 112.9 | K68 K127 V128 F140 Y141 | K68-H130 PolarHBondContact NZ-O 3.01Å; K127-H130 WeakPolarHBondContact O-CB 3.41Å; K127-H130 PolarHBondContact O-N 3.16Å; V128-H130 PolarHBondContact O-N 3.12Å; V128-H130 VanDerWaalsContact O-N 3.11Å; H130-F140 HydrophobicContact CB-CD1 4.36Å; H130-F140 AromaticContact ND1-CD1 3.64Å; H130-F140 AromaticContact ND1-CE1 3.88Å; H130-Y141 PolarHBondContact CE1-O 3.4Å |
| 131 | Y | 82.7 | Confident | 89.3 | Confident | 88 Ų | 88 | 36.5 Ų | 36.5 | 35% | 0.345 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -97.4 | -0.6 | 177.1 | -50.7 | -72.7 | 0 | 0 | 0 | 112.5 | L38 V128 L129 N133 | L38-Y131 HydrophobicContact CB-CE1 4.49Å; L38-Y131 HydrophobicContact CD2-CD1 3.59Å; L38-Y131 HydrophobicContact CD2-CD2 4.16Å; L38-Y131 HydrophobicContact CD2-CE1 3.23Å; L38-Y131 HydrophobicContact CD2-CE2 3.84Å; L38-Y131 HydrophobicContact CD2-CG 4.05Å; L38-Y131 HydrophobicContact CG-CE1 4.42Å; V128-Y131 PolarHBondContact O-N 3.29Å; V128-Y131 VanDerWaalsContact O-N 3.1Å; L129-Y131 PolarHBondContact O-N 3.04Å; Y131-N133 PolarHBondContact O-N 3.07Å; Y131-N133 VanDerWaalsContact O-N 3.16Å |
| 132 | C | 87.2 | Confident | 89.6 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | trans | -83 | 91.3 | 176.7 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | L129 I137 L195 F220 | L129-C132 WeakPolarHBondContact O-CB 3.46Å; L129-C132 PolarHBondContact O-N 3.24Å; L129-C132 VanDerWaalsContact O-N 3.12Å; C132-I137 VanDerWaalsContact SG-CG2 3.5Å; C132-L195 HydrophobicContact CB-CD1 3.97Å; C132-L195 VanDerWaalsContact SG-CD1 3.6Å; C132-F220 HydrophobicContact CB-CZ 4.35Å | ||
| 133 | N | 89.4 | Confident | 89.8 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | trans | -121 | 100.8 | -178.4 | -57.5 | -56.6 | 0 | 0 | 0 | 109.7 | E47 M61 F65 Y131 Y190 | E47-N133 PolarHBondContact OE2-ND2 3.16Å; M61-N133 HydrophobicContact CE-CB 3.79Å; F65-N133 HydrophobicContact CE1-CB 3.99Å; F65-N133 VanDerWaalsContact CE1-CG 3.45Å; F65-N133 HydrophobicContact CZ-CB 3.69Å; Y131-N133 PolarHBondContact O-N 3.07Å; Y131-N133 VanDerWaalsContact O-N 3.16Å; N133-Y190 PolarHBondContact N-OH 3.27Å; N133-Y190 PolarHBondContact O-OH 3.03Å | ||
| 134 | S | 92.5 | Very high | 90 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.028 | 16% | 0.162 | C | C | . | . | trans | -147.6 | 144.2 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 109.8 | Y136 I137 | S134-Y136 PolarHBondContact O-N 3.1Å; S134-Y136 PolarHBondContact OG-N 3.11Å; S134-I137 PolarHBondContact O-N 2.96Å; S134-I137 VanDerWaalsContact O-N 3.16Å; S134-I137 VanDerWaalsContact O-O 3.11Å | ||
| 135 | P | 95 | Very high | 90.2 | Very high | 7 Ų | 7 | 31 Ų | 31 | 5% | 0.045 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.9 | 176.2 | 32.7 | -41.9 | 0 | 0 | 0 | 113.4 | L53 Q57 K216 | L53-P135 HydrophobicContact CD2-CB 4.31Å; L53-P135 HydrophobicContact CD2-CG 3.45Å; L53-P135 VanDerWaalsContact CD2-CG 3.45Å; Q57-P135 HydrophobicContact CB-CB 4.29Å; Q57-P135 HydrophobicContact CG-CB 4.06Å; P135-K216 WeakPolarHBondContact O-CE 3.36Å; P135-K216 WeakPolarHBondContact O-CG 3.32Å |
| 136 | Y | 96.5 | Very high | 90.3 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 17% | 0.165 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 4.3 | -179.4 | -51.1 | -65.7 | 0 | 0 | 0 | 113.1 | Q57 S134 A183 N186 K216 L217 | Q57-Y136 PolarHBondContact NE2-OH 3.48Å; S134-Y136 PolarHBondContact O-N 3.1Å; S134-Y136 PolarHBondContact OG-N 3.11Å; Y136-A183 HydrophobicContact CD1-CB 3.83Å; Y136-A183 HydrophobicContact CE1-CB 4.25Å; Y136-N186 HydrophobicContact CD1-CB 4.37Å; Y136-N186 HydrophobicContact CD2-CB 3.35Å; Y136-N186 HydrophobicContact CE1-CB 4.34Å; Y136-N186 HydrophobicContact CE2-CB 3.32Å; Y136-N186 HydrophobicContact CG-CB 3.89Å; Y136-K216 CarbonylContact O-C 3.47Å; Y136-K216 VanDerWaalsContact O-CA 3.32Å; Y136-K216 WeakPolarHBondContact O-CA 3.49Å; Y136-L217 PolarHBondContact O-N 2.89Å |
| 137 | I | 95.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 137 | 178.7 | -54 | -63 | 0 | 0 | 0 | 109.5 | C132 S134 G139 Y190 L191 L217 F220 | C132-I137 VanDerWaalsContact SG-CG2 3.5Å; S134-I137 PolarHBondContact O-N 2.96Å; S134-I137 VanDerWaalsContact O-N 3.16Å; S134-I137 VanDerWaalsContact O-O 3.11Å; I137-G139 PolarHBondContact O-N 3.04Å; I137-Y190 HydrophobicContact CG1-CD1 3.82Å; I137-Y190 HydrophobicContact CG1-CE1 4.24Å; I137-L191 HydrophobicContact CD1-CD1 3.96Å; I137-L191 HydrophobicContact CD1-CD2 3.96Å; I137-L191 HydrophobicContact CD1-CG 3.76Å; I137-L191 HydrophobicContact CG1-CD2 4.4Å; I137-L217 HydrophobicContact CD1-CB 4.02Å; I137-L217 HydrophobicContact CD1-CD1 4.29Å; I137-F220 HydrophobicContact CG2-CD1 4.22Å; I137-F220 HydrophobicContact CG2-CE1 3.32Å; I137-F220 HydrophobicContact CG2-CZ 3.74Å |
| 138 | V | 95.8 | Very high | 90.2 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 6% | 0.055 | 17% | 0.169 | C | C | . | . | trans | -62.6 | 122.2 | -179.6 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | M154 E155 M157 L208 K216 L217 C218 | V138-M154 HydrophobicContact CG1-CB 4Å; V138-E155 WeakPolarHBondContact CA-OE1 3.17Å; V138-E155 HydrophobicContact CB-CG 4.48Å; V138-E155 HydrophobicContact CG1-CG 3.71Å; V138-M157 HydrophobicContact CG2-CG 4.33Å; V138-L208 HydrophobicContact CG2-CB 4.35Å; V138-L208 HydrophobicContact CG2-CD1 3.94Å; V138-L208 HydrophobicContact CG2-CG 4.28Å; V138-K216 HydrophobicContact CG2-CB 3.59Å; V138-L217 WeakPolarHBondContact CG2-O 3.34Å; V138-L217 PolarHBondContact N-O 3.36Å; V138-C218 HydrophobicContact CB-CB 3.99Å; V138-C218 HydrophobicContact CG1-CB 4.42Å; V138-C218 HydrophobicContact CG2-CB 3.79Å | ||
| 139 | G | 94.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | trans | -58.9 | 136.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I137 M154 E155 | I137-G139 PolarHBondContact O-N 3.04Å; G139-M154 CarbonylContact O-C 3.54Å; G139-M154 VanDerWaalsContact O-CA 3.28Å; G139-M154 WeakPolarHBondContact O-CA 3.3Å; G139-E155 PolarHBondContact N-OE1 2.93Å; G139-E155 PolarHBondContact O-N 3.05Å | ||
| 140 | F | 94.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.3 | -179 | -176.7 | -107.1 | 0 | 0 | 0 | 112 | W64 K68 L129 H130 G142 A143 M152 M154 | W64-F140 VanDerWaalsContact CZ2-N 3.31Å; K68-F140 VanDerWaalsContact CE-O 3.3Å; K68-F140 WeakPolarHBondContact CE-O 3.37Å; K68-F140 PolarHBondContact NZ-O 2.7Å; K68-F140 VanDerWaalsContact NZ-O 3.07Å; L129-F140 HydrophobicContact CB-CB 3.96Å; L129-F140 HydrophobicContact CB-CD1 3.41Å; L129-F140 VanDerWaalsContact CB-CD1 3.41Å; L129-F140 HydrophobicContact CB-CD2 3.99Å; L129-F140 HydrophobicContact CB-CE1 3.71Å; L129-F140 HydrophobicContact CB-CE2 4.28Å; L129-F140 HydrophobicContact CB-CG 3.53Å; L129-F140 HydrophobicContact CB-CZ 4.12Å; L129-F140 HydrophobicContact CD1-CD2 3.92Å; L129-F140 HydrophobicContact CD1-CE1 4.47Å; L129-F140 HydrophobicContact CD1-CE2 3.76Å; L129-F140 HydrophobicContact CD1-CG 4.34Å; L129-F140 HydrophobicContact CD1-CZ 4.02Å; H130-F140 HydrophobicContact CB-CD1 4.36Å; H130-F140 AromaticContact ND1-CD1 3.64Å; H130-F140 AromaticContact ND1-CE1 3.88Å; F140-G142 WeakPolarHBondContact CE2-O 3.37Å; F140-G142 WeakPolarHBondContact CZ-O 3.16Å; F140-A143 HydrophobicContact CE2-CB 4.31Å; F140-A143 HydrophobicContact CZ-CB 3.72Å; F140-M152 HydrophobicContact CE2-CB 4.35Å; F140-M152 HydrophobicContact CE2-CE 4.11Å; F140-M154 HydrophobicContact CD2-CG 4.18Å |
| 141 | Y | 94.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -28.7 | 175.6 | -71.3 | -65.8 | 0 | 0 | 0 | 113 | W64 K68 I71 I103 M105 H130 C153 | W64-Y141 HydrophobicContact CE3-CE1 4.49Å; W64-Y141 AromaticContact CH2-CD1 3.9Å; W64-Y141 HydrophobicContact CH2-CD1 3.9Å; W64-Y141 AromaticContact CH2-CD2 3.98Å; W64-Y141 HydrophobicContact CH2-CD2 3.98Å; W64-Y141 AromaticContact CH2-CE1 3.65Å; W64-Y141 HydrophobicContact CH2-CE1 3.65Å; W64-Y141 AromaticContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CE2 3.75Å; W64-Y141 HydrophobicContact CH2-CG 4.05Å; W64-Y141 AromaticContact CH2-CZ 3.58Å; W64-Y141 HydrophobicContact CZ2-CE1 4.47Å; W64-Y141 HydrophobicContact CZ3-CD1 4.38Å; W64-Y141 HydrophobicContact CZ3-CD2 4.38Å; W64-Y141 AromaticContact CZ3-CE1 3.67Å; W64-Y141 HydrophobicContact CZ3-CE1 3.67Å; W64-Y141 AromaticContact CZ3-CE2 3.67Å; W64-Y141 HydrophobicContact CZ3-CE2 3.67Å; W64-Y141 AromaticContact CZ3-CZ 3.27Å; W64-Y141 VanDerWaalsContact CZ3-OH 3.32Å; W64-Y141 WeakPolarHBondContact CZ3-OH 3.42Å; K68-Y141 HydrophobicContact CB-CD1 4.3Å; K68-Y141 HydrophobicContact CB-CE1 4.23Å; K68-Y141 HydrophobicContact CG-CD1 4.27Å; I71-Y141 HydrophobicContact CG1-CD1 3.72Å; I71-Y141 HydrophobicContact CG1-CE1 4Å; I103-Y141 HydrophobicContact CG2-CE1 4.47Å; I103-Y141 HydrophobicContact CG2-CE2 4.27Å; I103-Y141 WeakPolarHBondContact CG2-OH 2.88Å; M105-Y141 HydrophobicContact CB-CD2 4.32Å; M105-Y141 HydrophobicContact CB-CE2 4.38Å; M105-Y141 HydrophobicContact CE-CD1 4.34Å; M105-Y141 HydrophobicContact CE-CD2 4.04Å; M105-Y141 HydrophobicContact CE-CE2 4.27Å; M105-Y141 HydrophobicContact CE-CG 4.07Å; M105-Y141 HydrophobicContact CG-CD2 3.72Å; M105-Y141 HydrophobicContact CG-CE2 3.68Å; M105-Y141 HydrophobicContact SD-CD2 3.79Å; M105-Y141 HydrophobicContact SD-CE2 4.28Å; M105-Y141 HydrophobicContact SD-CG 4.18Å; H130-Y141 PolarHBondContact CE1-O 3.4Å; Y141-C153 WeakPolarHBondContact CB-O 3.04Å; Y141-C153 PolarHBondContact N-O 3.07Å |
| 142 | G | 92.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 8% | 0.082 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F140 C153 | F140-G142 WeakPolarHBondContact CE2-O 3.37Å; F140-G142 WeakPolarHBondContact CZ-O 3.16Å; G142-C153 PolarHBondContact N-O 3.27Å; G142-C153 PolarHBondContact O-N 3.39Å |
| 143 | A | 91.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 24.1 Ų | 24.1 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L126 F140 S151 M152 | L126-A143 HydrophobicContact CB-CB 4.33Å; L126-A143 HydrophobicContact CD1-CB 4Å; F140-A143 HydrophobicContact CE2-CB 4.31Å; F140-A143 HydrophobicContact CZ-CB 3.72Å; A143-S151 CarbonylContact C-O 3.58Å; A143-S151 WeakPolarHBondContact CA-O 3.44Å; A143-S151 WeakPolarHBondContact CB-O 3.14Å; A143-M152 HydrophobicContact CB-CG 4.17Å |
| 144 | F | 91.6 | Very high | 92.1 | Very high | 23 Ų | 23 | 24.9 Ų | 24.9 | 10% | 0.101 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 166.9 | 177.4 | 63.3 | -87.7 | 0 | 0 | 0 | 109.8 | L74 G76 L79 S151 | L74-F144 HydrophobicContact CB-CD1 3.83Å; L74-F144 HydrophobicContact CB-CE1 4.16Å; G76-F144 VanDerWaalsContact CA-CE2 3.49Å; G76-F144 VanDerWaalsContact CA-CZ 3.49Å; L79-F144 HydrophobicContact CD1-CE1 3.87Å; L79-F144 HydrophobicContact CD1-CZ 3.81Å; F144-S151 VanDerWaalsContact CZ-CB 3.43Å; F144-S151 PolarHBondContact N-O 3.25Å; F144-S151 PolarHBondContact O-N 3.03Å |
| 145 | Y | 89.9 | Confident | 92.3 | Very high | 79 Ų | 79 | 25.6 Ų | 25.6 | 31% | 0.31 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.9 | 175.6 | 170.5 | -90.2 | 0 | 0 | 0 | 110.2 | R119 G148 E149 I150 | R119-Y145 HydrophobicContact CG-CD2 4.01Å; R119-Y145 HydrophobicContact CG-CE2 4.42Å; R119-Y145 HydrophobicContact CG-CG 4.32Å; R119-Y145 PolarHBondContact NH1-OH 3.1Å; R119-Y145 PolarHBondContact NH2-OH 3.06Å; R119-Y145 VanDerWaalsContact NH2-OH 3.1Å; Y145-G148 VanDerWaalsContact CE2-C 3.42Å; Y145-G148 WeakPolarHBondContact OH-CA 3.42Å; Y145-G148 PolarHBondContact OH-N 2.99Å; Y145-E149 WeakPolarHBondContact CA-O 3.28Å; Y145-E149 VanDerWaalsContact CD2-O 3.23Å; Y145-E149 WeakPolarHBondContact CD2-O 3.43Å; Y145-I150 HydrophobicContact CD2-CG1 4.18Å |
| 146 | S | 88.6 | Confident | 92.4 | Very high | 31 Ų | 31 | 28 Ų | 28 | 22% | 0.217 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 140 | -179.7 | 157.5 | 0 | 0 | 0 | 0 | 108.3 | G148 E149 | S146-G148 VanDerWaalsContact C-N 3.3Å; S146-G148 PolarHBondContact O-N 2.99Å; S146-G148 VanDerWaalsContact O-N 3.09Å; S146-E149 PolarHBondContact N-O 3.49Å; S146-E149 VanDerWaalsContact N-O 3.08Å; S146-E149 PolarHBondContact O-N 3.13Å; S146-E149 VanDerWaalsContact O-O 3.09Å |
| 147 | D | 85.7 | Confident | 92.4 | Very high | 153 Ų | 153 | 26.3 Ų | 26.3 | 82% | 0.818 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 36.6 | 171.1 | -55.2 | -31.1 | 0 | 0 | 0 | 116.7 | ||
| 148 | G | 83.9 | Confident | 92.4 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 22% | 0.216 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -5.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y145 S146 | Y145-G148 VanDerWaalsContact CE2-C 3.42Å; Y145-G148 WeakPolarHBondContact OH-CA 3.42Å; Y145-G148 PolarHBondContact OH-N 2.99Å; S146-G148 VanDerWaalsContact C-N 3.3Å; S146-G148 PolarHBondContact O-N 2.99Å; S146-G148 VanDerWaalsContact O-N 3.09Å |
| 149 | E | 88.9 | Confident | 92.4 | Very high | 62 Ų | 62 | 28.5 Ų | 28.5 | 29% | 0.29 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.5 | -169.9 | -57.1 | -172.4 | 145.6 | 0 | 0 | 112 | L109 H111 Y145 S146 | L109-E149 WeakPolarHBondContact CD2-OE2 3.42Å; H111-E149 HydrophobicContact CB-CG 4.48Å; H111-E149 IonicContact ND1-OE1 3.59Å; Y145-E149 WeakPolarHBondContact CA-O 3.28Å; Y145-E149 VanDerWaalsContact CD2-O 3.23Å; Y145-E149 WeakPolarHBondContact CD2-O 3.43Å; S146-E149 PolarHBondContact N-O 3.49Å; S146-E149 VanDerWaalsContact N-O 3.08Å; S146-E149 PolarHBondContact O-N 3.13Å; S146-E149 VanDerWaalsContact O-O 3.09Å |
| 150 | I | 89.6 | Confident | 92.3 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123.5 | 166.5 | -61.4 | -175.7 | 0 | 0 | 0 | 107.6 | I110 L112 I122 L126 Y145 M152 | I110-I150 HydrophobicContact CB-CB 4.46Å; I110-I150 PolarHBondContact N-O 3.33Å; I110-I150 PolarHBondContact O-N 2.65Å; L112-I150 HydrophobicContact CD1-CD1 3.52Å; L112-I150 HydrophobicContact CD1-CG1 4.04Å; I122-I150 HydrophobicContact CB-CD1 4.15Å; I122-I150 HydrophobicContact CD1-CD1 4.44Å; I122-I150 HydrophobicContact CG2-CD1 3.58Å; L126-I150 HydrophobicContact CD1-CG2 4.03Å; Y145-I150 HydrophobicContact CD2-CG1 4.18Å; I150-M152 HydrophobicContact CG2-CG 4.44Å |
| 151 | S | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.7 | 174.8 | -69.7 | 0 | 0 | 0 | 0 | 110.1 | R107 K108 A143 F144 | R107-S151 PolarHBondContact NE-OG 3.42Å; R107-S151 PolarHBondContact NH2-OG 2.8Å; K108-S151 WeakPolarHBondContact O-CA 3.45Å; A143-S151 CarbonylContact C-O 3.58Å; A143-S151 WeakPolarHBondContact CA-O 3.44Å; A143-S151 WeakPolarHBondContact CB-O 3.14Å; F144-S151 VanDerWaalsContact CZ-CB 3.43Å; F144-S151 PolarHBondContact N-O 3.25Å; F144-S151 PolarHBondContact O-N 3.03Å |
| 152 | M | 91.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.8 | 173 | -63.7 | 175.8 | 61.7 | 0 | 0 | 109.2 | R107 K108 I110 L126 L129 F140 A143 I150 | R107-M152 CarbonylContact C-O 3.5Å; R107-M152 WeakPolarHBondContact CA-O 3.36Å; K108-M152 HydrophobicContact CB-CB 4.39Å; K108-M152 PolarHBondContact N-O 3.41Å; K108-M152 PolarHBondContact O-N 3.43Å; I110-M152 HydrophobicContact CD1-SD 3.76Å; L126-M152 HydrophobicContact CD1-CG 4.21Å; L126-M152 HydrophobicContact CD1-SD 4.21Å; L126-M152 HydrophobicContact CD2-CE 3.92Å; L126-M152 HydrophobicContact CD2-SD 4.17Å; L129-M152 HydrophobicContact CD1-CE 3.71Å; F140-M152 HydrophobicContact CE2-CB 4.35Å; F140-M152 HydrophobicContact CE2-CE 4.11Å; A143-M152 HydrophobicContact CB-CG 4.17Å; I150-M152 HydrophobicContact CG2-CG 4.44Å |
| 153 | C | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.4 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 110 | L74 M105 A106 Y141 G142 | L74-C153 HydrophobicContact CD1-CB 3.61Å; M105-C153 HydrophobicContact SD-CB 3.95Å; A106-C153 WeakPolarHBondContact O-CA 3.26Å; Y141-C153 WeakPolarHBondContact CB-O 3.04Å; Y141-C153 PolarHBondContact N-O 3.07Å; G142-C153 PolarHBondContact N-O 3.27Å; G142-C153 PolarHBondContact O-N 3.39Å |
| 154 | M | 95.1 | Very high | 92.6 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 163.7 | -173.6 | -63.1 | 171.5 | -67.7 | 0 | 0 | 110.3 | M105 A106 K108 V138 G139 F140 | M105-M154 WeakPolarHBondContact CA-O 3.48Å; M105-M154 WeakPolarHBondContact CB-O 3.34Å; A106-M154 PolarHBondContact N-O 2.83Å; A106-M154 PolarHBondContact O-N 2.56Å; K108-M154 HydrophobicContact CB-CE 3.81Å; K108-M154 HydrophobicContact CD-CE 4.44Å; V138-M154 HydrophobicContact CG1-CB 4Å; G139-M154 CarbonylContact O-C 3.54Å; G139-M154 VanDerWaalsContact O-CA 3.28Å; G139-M154 WeakPolarHBondContact O-CA 3.3Å; F140-M154 HydrophobicContact CD2-CG 4.18Å |
| 155 | E | 95.6 | Very high | 92.8 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 140.8 | 170.7 | 78 | -179.2 | 151.8 | 0 | 0 | 110.7 | W64 V138 G139 M157 K216 | W64-E155 HydrophobicContact CE3-CB 4.21Å; W64-E155 HydrophobicContact CH2-CB 3.93Å; W64-E155 HydrophobicContact CZ3-CB 3.42Å; W64-E155 VanDerWaalsContact CZ3-CB 3.42Å; V138-E155 WeakPolarHBondContact CA-OE1 3.17Å; V138-E155 HydrophobicContact CB-CG 4.48Å; V138-E155 HydrophobicContact CG1-CG 3.71Å; G139-E155 PolarHBondContact N-OE1 2.93Å; G139-E155 PolarHBondContact O-N 3.05Å; E155-M157 HydrophobicContact CG-CG 4.27Å; E155-M157 HydrophobicContact CG-SD 4.04Å; E155-K216 WeakPolarHBondContact OE1-CD 3.22Å; E155-K216 WeakPolarHBondContact OE1-CE 3.49Å; E155-K216 IonicContact OE1-NZ 3.07Å; E155-K216 PolarHBondContact OE1-NZ 3.06Å; E155-K216 IonicContact OE2-NZ 2.63Å; E155-K216 PolarHBondContact OE2-NZ 2.94Å |
| 156 | Y | 96.9 | Very high | 93 | Very high | 58 Ų | 58 | 28.1 Ų | 28.1 | 23% | 0.227 | 15% | 0.152 | C | C | . | . | trans | -87.2 | 116.6 | 177.8 | 173.1 | -117.8 | 0 | 0 | 0 | 110.2 | L85 K95 I104 D158 L160 | L85-Y156 HydrophobicContact CD1-CD2 3.79Å; L85-Y156 HydrophobicContact CD1-CE2 3.68Å; L85-Y156 HydrophobicContact CD2-CE2 3.73Å; L85-Y156 HydrophobicContact CG-CE2 4.38Å; K95-Y156 HydrophobicContact CD-CE1 4.15Å; K95-Y156 HydrophobicContact CD-CE2 4.18Å; K95-Y156 VanDerWaalsContact CE-CE1 3.47Å; K95-Y156 HydrophobicContact CG-CD2 4.46Å; K95-Y156 HydrophobicContact CG-CE2 4.36Å; K95-Y156 PolarHBondContact NZ-OH 3.24Å; I104-Y156 HydrophobicContact CG2-CD1 3.72Å; I104-Y156 HydrophobicContact CG2-CE1 4.43Å; I104-Y156 HydrophobicContact CG2-CG 3.99Å; Y156-D158 HydrophobicContact CD1-CB 4.35Å; Y156-D158 HydrophobicContact CE1-CB 3.65Å; Y156-L160 HydrophobicContact CE2-CD2 4.42Å | ||
| 157 | M | 96.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | trans | -96.5 | 101 | 175.9 | -60.8 | -65.7 | -75.6 | 0 | 0 | 109.1 | V138 E155 G159 L160 L208 N210 E214 K216 | V138-M157 HydrophobicContact CG2-CG 4.33Å; E155-M157 HydrophobicContact CG-CG 4.27Å; E155-M157 HydrophobicContact CG-SD 4.04Å; M157-G159 VanDerWaalsContact C-N 3.25Å; M157-G159 PolarHBondContact O-N 2.51Å; M157-L160 PolarHBondContact O-N 3.31Å; M157-L208 HydrophobicContact CB-CB 3.75Å; M157-L208 HydrophobicContact CB-CD1 4Å; M157-L208 HydrophobicContact CB-CG 4.5Å; M157-L208 HydrophobicContact CE-CB 4.32Å; M157-L208 HydrophobicContact CG-CB 3.72Å; M157-L208 HydrophobicContact CG-CD1 3.84Å; M157-L208 HydrophobicContact CG-CG 4.44Å; M157-N210 HydrophobicContact CE-CB 3.93Å; M157-N210 HydrophobicContact SD-CB 4.18Å; M157-E214 HydrophobicContact CE-CB 4.26Å; M157-K216 HydrophobicContact CE-CB 4.09Å; M157-K216 HydrophobicContact CE-CD 3.95Å; M157-K216 HydrophobicContact CE-CG 3.98Å; M157-K216 HydrophobicContact SD-CD 4.13Å | ||
| 158 | D | 95.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 27.5 Ų | 27.5 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.7 | -170.5 | 66.2 | -17.3 | 0 | 0 | 0 | 115 | Y156 L160 N210 S211 | Y156-D158 HydrophobicContact CD1-CB 4.35Å; Y156-D158 HydrophobicContact CE1-CB 3.65Å; D158-L160 VanDerWaalsContact C-N 3.32Å; D158-N210 WeakPolarHBondContact OD1-CA 3.27Å; D158-N210 WeakPolarHBondContact OD1-CB 3.33Å; D158-S211 PolarHBondContact OD1-N 3.02Å; D158-S211 PolarHBondContact OD1-OG 2.76Å; D158-S211 WeakPolarHBondContact OD2-CB 3.48Å; D158-S211 PolarHBondContact OD2-OG 3.23Å |
| 159 | G | 95.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | M157 V165 V209 | M157-G159 VanDerWaalsContact C-N 3.25Å; M157-G159 PolarHBondContact O-N 2.51Å; G159-V165 WeakPolarHBondContact O-CG2 3.4Å; G159-V209 CarbonylContact C-O 3.44Å; G159-V209 WeakPolarHBondContact CA-O 3.28Å; G159-V209 PolarHBondContact N-O 2.89Å |
| 160 | L | 93.9 | Very high | 94 | Very high | 42 Ų | 42 | 27 Ų | 27 | 22% | 0.22 | 14% | 0.143 | C | C | . | . | trans | 58.5 | -159.9 | -179.7 | -50.3 | 177.4 | 0 | 0 | 0 | 112.7 | L85 Y156 M157 D158 I164 L208 V209 | L85-L160 HydrophobicContact CD2-CD2 4.01Å; Y156-L160 HydrophobicContact CE2-CD2 4.42Å; M157-L160 PolarHBondContact O-N 3.31Å; D158-L160 VanDerWaalsContact C-N 3.32Å; L160-I164 HydrophobicContact CB-CD1 4.04Å; L160-I164 HydrophobicContact CD1-CD1 4Å; L160-I164 HydrophobicContact CD1-CG2 4.1Å; L160-L208 CarbonylContact O-C 3.56Å; L160-L208 WeakPolarHBondContact O-CA 3.24Å; L160-V209 PolarHBondContact N-O 2.92Å; L160-V209 PolarHBondContact O-N 3.24Å | ||
| 161 | S | 95.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -86.1 | 153.5 | -176.9 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | D163 I164 V165 S205 I207 | S161-D163 WeakPolarHBondContact CB-OD1 3.48Å; S161-D163 PolarHBondContact O-N 3.09Å; S161-D163 PolarHBondContact OG-OD1 3.31Å; S161-I164 WeakPolarHBondContact O-CB 3.49Å; S161-I164 PolarHBondContact O-N 3.23Å; S161-I164 WeakPolarHBondContact OG-CD1 3.32Å; S161-V165 PolarHBondContact O-N 2.82Å; S161-V165 VanDerWaalsContact O-N 3.07Å; S161-S205 WeakPolarHBondContact CB-O 3.47Å; S161-I207 CarbonylContact C-O 3.31Å; S161-I207 WeakPolarHBondContact CA-O 3.49Å |
| 162 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -24.8 | -176.7 | -67 | -171.6 | 0 | 0 | 0 | 113.8 | V165 L166 F172 I180 P204 I207 V209 L267 | L162-V165 PolarHBondContact O-N 2.72Å; L162-L166 VanDerWaalsContact O-CB 3.28Å; L162-L166 WeakPolarHBondContact O-CB 3.1Å; L162-L166 PolarHBondContact O-N 2.93Å; L162-F172 HydrophobicContact CB-CE2 4.47Å; L162-F172 HydrophobicContact CB-CZ 4.4Å; L162-F172 HydrophobicContact CD1-CE2 4.3Å; L162-F172 HydrophobicContact CD2-CE2 3.86Å; L162-F172 HydrophobicContact CD2-CZ 4.11Å; L162-F172 HydrophobicContact CG-CE2 4.43Å; L162-I180 HydrophobicContact CD1-CD1 3.75Å; L162-I180 HydrophobicContact CD1-CG1 4.12Å; L162-I180 HydrophobicContact CD1-CG2 3.9Å; L162-I180 HydrophobicContact CD2-CD1 4.43Å; L162-P204 HydrophobicContact CB-CB 4.09Å; L162-P204 WeakPolarHBondContact CB-O 3.46Å; L162-P204 PolarHBondContact N-O 2.92Å; L162-I207 HydrophobicContact CD1-CB 3.82Å; L162-I207 HydrophobicContact CD1-CD1 4.18Å; L162-I207 HydrophobicContact CD1-CG2 3.51Å; L162-I207 HydrophobicContact CG-CB 3.96Å; L162-I207 HydrophobicContact CG-CG2 3.86Å; L162-I207 WeakPolarHBondContact CG-O 3.36Å; L162-I207 PolarHBondContact N-O 3.32Å; L162-V209 HydrophobicContact CD2-CG1 3.56Å; L162-V209 HydrophobicContact CD2-CG2 4.23Å; L162-V209 HydrophobicContact CG-CG1 4.48Å; L162-L267 HydrophobicContact CB-CD2 4.11Å; L162-L267 HydrophobicContact CD1-CD1 3.85Å |
| 163 | D | 94 | Very high | 94.7 | Very high | 41 Ų | 41 | 33.7 Ų | 33.7 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | 172.7 | 71.4 | -49.8 | 0 | 0 | 0 | 112.1 | S161 K167 P204 S205 | S161-D163 WeakPolarHBondContact CB-OD1 3.48Å; S161-D163 PolarHBondContact O-N 3.09Å; S161-D163 PolarHBondContact OG-OD1 3.31Å; D163-K167 WeakPolarHBondContact O-CG 3.37Å; D163-K167 PolarHBondContact O-N 3.1Å; D163-P204 HydrophobicContact CB-CB 4.04Å; D163-P204 PolarHBondContact N-O 3.1Å; D163-S205 VanDerWaalsContact OD1-CA 3.29Å; D163-S205 WeakPolarHBondContact OD1-CA 3.49Å |
| 164 | I | 93.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.4 | -43.6 | 173.5 | -64.5 | 174.4 | 0 | 0 | 0 | 109.6 | L160 S161 L166 K167 K168 L417 | L160-I164 HydrophobicContact CB-CD1 4.04Å; L160-I164 HydrophobicContact CD1-CD1 4Å; L160-I164 HydrophobicContact CD1-CG2 4.1Å; S161-I164 WeakPolarHBondContact O-CB 3.49Å; S161-I164 PolarHBondContact O-N 3.23Å; S161-I164 WeakPolarHBondContact OG-CD1 3.32Å; I164-L166 VanDerWaalsContact C-N 3.3Å; I164-L166 PolarHBondContact O-N 2.98Å; I164-K167 PolarHBondContact O-N 2.87Å; I164-K168 PolarHBondContact O-N 3.35Å; I164-L417 HydrophobicContact CG2-CD2 4.43Å |
| 165 | V | 94.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -39.2 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 111 | G159 S161 L162 K167 K168 T169 F172 V209 W408 M412 | G159-V165 WeakPolarHBondContact O-CG2 3.4Å; S161-V165 PolarHBondContact O-N 2.82Å; S161-V165 VanDerWaalsContact O-N 3.07Å; L162-V165 PolarHBondContact O-N 2.72Å; V165-K167 VanDerWaalsContact C-N 3.34Å; V165-K167 PolarHBondContact O-N 2.86Å; V165-K168 WeakPolarHBondContact O-CB 3.44Å; V165-K168 PolarHBondContact O-N 3.44Å; V165-T169 HydrophobicContact CG1-CG2 4.07Å; V165-T169 WeakPolarHBondContact O-CG2 3.37Å; V165-T169 PolarHBondContact O-N 3.42Å; V165-T169 PolarHBondContact O-OG1 2.89Å; V165-T169 VanDerWaalsContact O-OG1 3.13Å; V165-F172 HydrophobicContact CB-CE1 4.41Å; V165-F172 HydrophobicContact CB-CZ 3.95Å; V165-F172 HydrophobicContact CG1-CE1 3.93Å; V165-F172 HydrophobicContact CG1-CZ 3.66Å; V165-V209 HydrophobicContact CG2-CG2 4.07Å; V165-W408 HydrophobicContact CG1-CH2 3.58Å; V165-W408 HydrophobicContact CG1-CZ2 4.09Å; V165-W408 HydrophobicContact CG1-CZ3 4.24Å; V165-M412 HydrophobicContact CG1-CB 4.27Å; V165-M412 HydrophobicContact CG1-CG 4.06Å |
| 166 | L | 95.2 | Very high | 95 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 175.9 | -169.9 | 65.1 | 0 | 0 | 0 | 112.5 | L162 I164 K168 T169 G170 F172 E266 L267 | L162-L166 VanDerWaalsContact O-CB 3.28Å; L162-L166 WeakPolarHBondContact O-CB 3.1Å; L162-L166 PolarHBondContact O-N 2.93Å; I164-L166 VanDerWaalsContact C-N 3.3Å; I164-L166 PolarHBondContact O-N 2.98Å; L166-K168 PolarHBondContact O-N 3.28Å; L166-T169 PolarHBondContact O-N 3.13Å; L166-T169 PolarHBondContact O-OG1 2.88Å; L166-G170 WeakPolarHBondContact CD1-O 3.34Å; L166-G170 WeakPolarHBondContact O-CA 3.44Å; L166-G170 PolarHBondContact O-N 3.1Å; L166-F172 HydrophobicContact CB-CE1 4.17Å; L166-F172 HydrophobicContact CD1-CD1 3.85Å; L166-F172 HydrophobicContact CD1-CE1 3.86Å; L166-E266 HydrophobicContact CD2-CG 3.96Å; L166-L267 HydrophobicContact CB-CD2 4.24Å; L166-L267 HydrophobicContact CD1-CD2 4.07Å; L166-L267 HydrophobicContact CD2-CD2 4.24Å; L166-L267 HydrophobicContact CG-CD2 4.42Å |
| 167 | K | 92.8 | Very high | 95.1 | Very high | 128 Ų | 128 | 36 Ų | 36 | 56% | 0.557 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -61.3 | -29.1 | 175.4 | -69.3 | 170.8 | -176.2 | 173.1 | 0 | 112.8 | D163 I164 V165 L417 P418 | D163-K167 WeakPolarHBondContact O-CG 3.37Å; D163-K167 PolarHBondContact O-N 3.1Å; I164-K167 PolarHBondContact O-N 2.87Å; V165-K167 VanDerWaalsContact C-N 3.34Å; V165-K167 PolarHBondContact O-N 2.86Å; K167-L417 HydrophobicContact CB-CD2 3.98Å; K167-P418 WeakPolarHBondContact O-CD 3.31Å; K167-P418 VanDerWaalsContact O-CG 3.28Å; K167-P418 WeakPolarHBondContact O-CG 3.39Å |
| 168 | K | 91.2 | Very high | 95.1 | Very high | 44 Ų | 44 | 35.8 Ų | 35.8 | 19% | 0.191 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -85.7 | -31.3 | 179.2 | -61.7 | -173.8 | -178.3 | -159.9 | 0 | 113.6 | I164 V165 L166 M412 R415 L417 | I164-K168 PolarHBondContact O-N 3.35Å; V165-K168 WeakPolarHBondContact O-CB 3.44Å; V165-K168 PolarHBondContact O-N 3.44Å; L166-K168 PolarHBondContact O-N 3.28Å; K168-M412 WeakPolarHBondContact CD-O 3.21Å; K168-M412 PolarHBondContact NZ-O 3.41Å; K168-R415 HydrophobicContact CD-CB 4.37Å; K168-R415 WeakPolarHBondContact CE-O 3.26Å; K168-R415 PolarHBondContact NZ-O 3.37Å; K168-L417 HydrophobicContact CG-CD2 3.82Å |
| 169 | T | 91.2 | Very high | 95.3 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 20% | 0.202 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -96.8 | -25.1 | -176.1 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | V165 L166 R171 F172 W408 M412 | V165-T169 HydrophobicContact CG1-CG2 4.07Å; V165-T169 WeakPolarHBondContact O-CG2 3.37Å; V165-T169 PolarHBondContact O-N 3.42Å; V165-T169 PolarHBondContact O-OG1 2.89Å; V165-T169 VanDerWaalsContact O-OG1 3.13Å; L166-T169 PolarHBondContact O-N 3.13Å; L166-T169 PolarHBondContact O-OG1 2.88Å; T169-R171 PolarHBondContact O-N 3.5Å; T169-F172 HydrophobicContact CG2-CE1 4.39Å; T169-F172 WeakPolarHBondContact OG1-CD1 3.13Å; T169-F172 VanDerWaalsContact OG1-CE1 3.24Å; T169-F172 WeakPolarHBondContact OG1-CE1 3.48Å; T169-W408 HydrophobicContact CG2-CZ2 3.83Å; T169-M412 HydrophobicContact CG2-CE 4.32Å; T169-M412 HydrophobicContact CG2-CG 3.73Å; T169-M412 HydrophobicContact CG2-SD 3.18Å; T169-M412 WeakPolarHBondContact CG2-SD 3.34Å |
| 170 | G | 92.4 | Very high | 95.4 | Very high | 39 Ų | 39 | 35.2 Ų | 35.2 | 40% | 0.402 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 75.9 | -54.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L166 G270 | L166-G170 WeakPolarHBondContact CD1-O 3.34Å; L166-G170 WeakPolarHBondContact O-CA 3.44Å; L166-G170 PolarHBondContact O-N 3.1Å; G170-G270 WeakPolarHBondContact O-CA 3.48Å |
| 171 | R | 94.5 | Very high | 95.7 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -143.4 | 154.7 | -180 | -63.7 | -169.8 | -68.3 | 124 | -3.3 | 112 | T169 A268 I269 I285 F286 | T169-R171 PolarHBondContact O-N 3.5Å; R171-A268 WeakPolarHBondContact CD-O 3.39Å; R171-I269 WeakPolarHBondContact CD-O 3.19Å; R171-I285 VanDerWaalsContact CZ-O 3.25Å; R171-I285 PolarHBondContact NE-O 3.21Å; R171-I285 PolarHBondContact NH2-O 3.03Å; R171-I285 VanDerWaalsContact NH2-O 3.14Å; R171-F286 VanDerWaalsContact NH1-CD1 3.33Å; R171-F286 VanDerWaalsContact NH1-CE1 3.33Å |
| 172 | F | 96.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | trans | -101.1 | 134.9 | 176.6 | -74 | 28.2 | 0 | 0 | 0 | 109.9 | L162 V165 L166 T169 I176 L177 I180 L267 W408 | L162-F172 HydrophobicContact CB-CE2 4.47Å; L162-F172 HydrophobicContact CB-CZ 4.4Å; L162-F172 HydrophobicContact CD1-CE2 4.3Å; L162-F172 HydrophobicContact CD2-CE2 3.86Å; L162-F172 HydrophobicContact CD2-CZ 4.11Å; L162-F172 HydrophobicContact CG-CE2 4.43Å; V165-F172 HydrophobicContact CB-CE1 4.41Å; V165-F172 HydrophobicContact CB-CZ 3.95Å; V165-F172 HydrophobicContact CG1-CE1 3.93Å; V165-F172 HydrophobicContact CG1-CZ 3.66Å; L166-F172 HydrophobicContact CB-CE1 4.17Å; L166-F172 HydrophobicContact CD1-CD1 3.85Å; L166-F172 HydrophobicContact CD1-CE1 3.86Å; T169-F172 HydrophobicContact CG2-CE1 4.39Å; T169-F172 WeakPolarHBondContact OG1-CD1 3.13Å; T169-F172 VanDerWaalsContact OG1-CE1 3.24Å; T169-F172 WeakPolarHBondContact OG1-CE1 3.48Å; F172-I176 HydrophobicContact CD2-CG2 3.95Å; F172-L177 HydrophobicContact CB-CD2 3.71Å; F172-L177 HydrophobicContact CB-CG 3.97Å; F172-L177 HydrophobicContact CD2-CD2 3.96Å; F172-L177 HydrophobicContact CG-CD2 4.29Å; F172-I180 HydrophobicContact CD2-CD1 3.61Å; F172-I180 HydrophobicContact CE2-CD1 3.66Å; F172-L267 HydrophobicContact CB-CB 4.4Å; F172-L267 HydrophobicContact CD1-CD2 4.48Å; F172-L267 HydrophobicContact CD2-CB 4.19Å; F172-L267 HydrophobicContact CD2-CD1 4.42Å; F172-L267 HydrophobicContact CD2-CD2 4.18Å; F172-L267 HydrophobicContact CE1-CD2 4.16Å; F172-L267 HydrophobicContact CE2-CD1 4.34Å; F172-L267 HydrophobicContact CE2-CD2 3.81Å; F172-L267 HydrophobicContact CE2-CG 4.5Å; F172-L267 HydrophobicContact CG-CB 4.22Å; F172-L267 HydrophobicContact CG-CD2 4.5Å; F172-L267 HydrophobicContact CZ-CD2 3.79Å; F172-L267 PolarHBondContact N-O 2.75Å; F172-W408 HydrophobicContact CD1-CH2 4.36Å; F172-W408 HydrophobicContact CD1-CZ2 4.22Å; F172-W408 AromaticContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CZ2 4.38Å; F172-W408 HydrophobicContact CE1-CH2 4.03Å; F172-W408 HydrophobicContact CE1-CZ2 4.17Å; F172-W408 AromaticContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CZ2 4.37Å; F172-W408 HydrophobicContact CG-CH2 4.33Å; F172-W408 HydrophobicContact CG-CZ2 4.33Å; F172-W408 AromaticContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CZ2 4.27Å | ||
| 173 | A | 96.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 34 Ų | 34 | 45% | 0.446 | 18% | 0.178 | S | C | . | . | trans | -66 | 146.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q175 I176 L177 | A173-Q175 PolarHBondContact O-N 3.38Å; A173-I176 HydrophobicContact CB-CG1 4.27Å; A173-I176 WeakPolarHBondContact O-CA 3.25Å; A173-I176 WeakPolarHBondContact O-CB 3.31Å; A173-I176 PolarHBondContact O-N 3.07Å; A173-L177 PolarHBondContact O-N 2.99Å; A173-L177 VanDerWaalsContact O-N 3.1Å | ||
| 174 | E | 97.3 | Very high | 96 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 15% | 0.15 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.9 | -40.4 | -177.9 | -169.1 | -177.9 | 138.1 | 0 | 0 | 112.7 | I176 L177 G178 M364 S365 F368 Y394 R397 | E174-I176 VanDerWaalsContact C-N 3.3Å; E174-I176 PolarHBondContact O-N 3.18Å; E174-L177 CarbonylContact O-C 3.55Å; E174-L177 WeakPolarHBondContact O-CA 3.49Å; E174-L177 WeakPolarHBondContact O-CB 3.23Å; E174-L177 PolarHBondContact O-N 3.23Å; E174-L177 VanDerWaalsContact O-N 3.08Å; E174-G178 PolarHBondContact O-N 3.47Å; E174-M364 HydrophobicContact CB-SD 4.19Å; E174-M364 WeakPolarHBondContact OE2-CB 3.32Å; E174-S365 WeakPolarHBondContact OE1-CB 3.43Å; E174-S365 PolarHBondContact OE1-OG 2.9Å; E174-S365 PolarHBondContact OE2-N 3.49Å; E174-F368 HydrophobicContact CG-CB 4.03Å; E174-F368 HydrophobicContact CG-CD2 4.33Å; E174-F368 HydrophobicContact CG-CG 4.04Å; E174-F368 WeakPolarHBondContact OE1-CB 3.37Å; E174-Y394 HydrophobicContact CG-CE2 3.97Å; E174-Y394 PolarHBondContact O-OH 3.37Å; E174-R397 IonicContact OE1-CZ 3.72Å; E174-R397 IonicContact OE1-NH1 2.88Å; E174-R397 IonicContact OE1-NH2 3.62Å; E174-R397 PolarHBondContact OE1-NH2 2.75Å |
| 175 | Q | 97.1 | Very high | 96.3 | Very high | 108 Ų | 108 | 30.6 Ų | 30.6 | 51% | 0.505 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -52.6 | -43.3 | 172.8 | -77.2 | 168 | -8.4 | 0 | 0 | 113.3 | A173 G178 K179 E401 I403 | A173-Q175 PolarHBondContact O-N 3.38Å; Q175-G178 PolarHBondContact O-N 2.88Å; Q175-K179 PolarHBondContact O-N 3.5Å; Q175-E401 WeakPolarHBondContact CG-OE2 3.45Å; Q175-I403 HydrophobicContact CB-CD1 3.47Å; Q175-I403 VanDerWaalsContact CB-CD1 3.47Å; Q175-I403 HydrophobicContact CB-CG1 4.18Å; Q175-I403 HydrophobicContact CG-CD1 4.03Å; Q175-I403 WeakPolarHBondContact O-CD1 3.36Å |
| 176 | I | 98 | Very high | 96.4 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 5% | 0.046 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.4 | -42.7 | 177.3 | -61 | -62.8 | 0 | 0 | 0 | 110 | F172 A173 E174 G178 K179 I180 I403 F405 W408 | F172-I176 HydrophobicContact CD2-CG2 3.95Å; A173-I176 HydrophobicContact CB-CG1 4.27Å; A173-I176 WeakPolarHBondContact O-CA 3.25Å; A173-I176 WeakPolarHBondContact O-CB 3.31Å; A173-I176 PolarHBondContact O-N 3.07Å; E174-I176 VanDerWaalsContact C-N 3.3Å; E174-I176 PolarHBondContact O-N 3.18Å; I176-G178 PolarHBondContact O-N 3.29Å; I176-K179 PolarHBondContact O-N 3.19Å; I176-I180 HydrophobicContact CG2-CD1 3.97Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.23Å; I176-I180 VanDerWaalsContact O-N 3.1Å; I176-I403 HydrophobicContact CD1-CG2 3.84Å; I176-F405 HydrophobicContact CD1-CD2 3.99Å; I176-F405 HydrophobicContact CG2-CD2 4.13Å; I176-F405 HydrophobicContact CG2-CE2 3.66Å; I176-W408 HydrophobicContact CD1-CB 4.23Å; I176-W408 HydrophobicContact CD1-CD2 3.9Å; I176-W408 HydrophobicContact CD1-CE3 4.21Å; I176-W408 HydrophobicContact CD1-CG 3.9Å; I176-W408 HydrophobicContact CG1-CD2 4.27Å; I176-W408 HydrophobicContact CG2-CD2 4.24Å; I176-W408 HydrophobicContact CG2-CE3 3.96Å; I176-W408 HydrophobicContact CG2-CH2 3.65Å; I176-W408 HydrophobicContact CG2-CZ2 3.92Å; I176-W408 HydrophobicContact CG2-CZ3 3.67Å |
| 177 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -34.8 | 174.6 | -62 | 175.3 | 0 | 0 | 0 | 111.5 | F172 A173 E174 K179 I180 S181 L264 L267 A268 F368 Y394 | F172-L177 HydrophobicContact CB-CD2 3.71Å; F172-L177 HydrophobicContact CB-CG 3.97Å; F172-L177 HydrophobicContact CD2-CD2 3.96Å; F172-L177 HydrophobicContact CG-CD2 4.29Å; A173-L177 PolarHBondContact O-N 2.99Å; A173-L177 VanDerWaalsContact O-N 3.1Å; E174-L177 CarbonylContact O-C 3.55Å; E174-L177 WeakPolarHBondContact O-CA 3.49Å; E174-L177 WeakPolarHBondContact O-CB 3.23Å; E174-L177 PolarHBondContact O-N 3.23Å; E174-L177 VanDerWaalsContact O-N 3.08Å; L177-K179 PolarHBondContact O-N 2.88Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.33Å; L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.11Å; L177-S181 PolarHBondContact O-OG 2.85Å; L177-L264 HydrophobicContact CB-CD2 4.28Å; L177-L264 HydrophobicContact CD2-CD2 4.1Å; L177-L267 HydrophobicContact CD2-CB 3.58Å; L177-L267 HydrophobicContact CD2-CD1 4.13Å; L177-A268 HydrophobicContact CD1-CB 3.74Å; L177-F368 HydrophobicContact CB-CE2 4.27Å; L177-F368 HydrophobicContact CD1-CE1 4.34Å; L177-F368 HydrophobicContact CD1-CE2 4.05Å; L177-F368 HydrophobicContact CD1-CZ 3.64Å; L177-Y394 VanDerWaalsContact C-OH 3.29Å |
| 178 | G | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E174 Q175 I176 S181 I182 Y394 S398 | E174-G178 PolarHBondContact O-N 3.47Å; Q175-G178 PolarHBondContact O-N 2.88Å; I176-G178 PolarHBondContact O-N 3.29Å; G178-S181 PolarHBondContact O-N 2.74Å; G178-I182 WeakPolarHBondContact O-CG1 3.34Å; G178-I182 PolarHBondContact O-N 3.39Å; G178-Y394 WeakPolarHBondContact CA-OH 3.39Å; G178-Y394 PolarHBondContact N-OH 2.88Å; G178-S398 VanDerWaalsContact CA-OG 3.28Å; G178-S398 WeakPolarHBondContact CA-OG 3.49Å |
| 179 | K | 98 | Very high | 96.8 | Very high | 45 Ų | 45 | 25.6 Ų | 25.6 | 20% | 0.196 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.7 | -60.9 | -54 | -176 | -170.6 | 0 | 112.1 | Q175 I176 L177 I182 A183 I215 S398 E401 I403 F405 | Q175-K179 PolarHBondContact O-N 3.5Å; I176-K179 PolarHBondContact O-N 3.19Å; L177-K179 PolarHBondContact O-N 2.88Å; K179-I182 HydrophobicContact CD-CD1 4.43Å; K179-I182 PolarHBondContact O-N 2.99Å; K179-A183 PolarHBondContact O-N 3.18Å; K179-A183 VanDerWaalsContact O-N 3.13Å; K179-I215 HydrophobicContact CB-CD1 4.18Å; K179-S398 PolarHBondContact NZ-O 3.02Å; K179-E401 WeakPolarHBondContact CE-O 3.42Å; K179-E401 PolarHBondContact NZ-O 2.74Å; K179-I403 HydrophobicContact CG-CD1 4.38Å; K179-F405 HydrophobicContact CB-CD2 3.98Å; K179-F405 HydrophobicContact CB-CE2 4.34Å; K179-F405 HydrophobicContact CG-CD2 4.4Å |
| 180 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.4 | -66.7 | 160.9 | 0 | 0 | 0 | 110.5 | L162 F172 I176 L177 I182 A183 V184 I215 F405 | L162-I180 HydrophobicContact CD1-CD1 3.75Å; L162-I180 HydrophobicContact CD1-CG1 4.12Å; L162-I180 HydrophobicContact CD1-CG2 3.9Å; L162-I180 HydrophobicContact CD2-CD1 4.43Å; F172-I180 HydrophobicContact CD2-CD1 3.61Å; F172-I180 HydrophobicContact CE2-CD1 3.66Å; I176-I180 HydrophobicContact CG2-CD1 3.97Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.23Å; I176-I180 VanDerWaalsContact O-N 3.1Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.33Å; I180-I182 PolarHBondContact O-N 3.46Å; I180-A183 PolarHBondContact O-N 2.98Å; I180-V184 HydrophobicContact CG2-CG2 4.06Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.29Å; I180-I215 HydrophobicContact CG1-CD1 3.96Å; I180-F405 HydrophobicContact CD1-CE2 4.48Å; I180-F405 HydrophobicContact CG1-CE2 4.12Å; I180-F405 HydrophobicContact CG1-CZ 4.33Å |
| 181 | S | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 179.6 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | L177 G178 A183 L185 F260 I395 | L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.11Å; L177-S181 PolarHBondContact O-OG 2.85Å; G178-S181 PolarHBondContact O-N 2.74Å; S181-A183 PolarHBondContact O-N 3.24Å; S181-L185 VanDerWaalsContact O-CB 3.32Å; S181-L185 WeakPolarHBondContact O-CB 3.37Å; S181-L185 VanDerWaalsContact O-CG 3.22Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.12Å; S181-F260 WeakPolarHBondContact OG-CZ 3.35Å; S181-I395 VanDerWaalsContact CB-CD1 3.5Å |
| 182 | I | 97.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 12% | 0.123 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -49.9 | 174 | -67.5 | 161.9 | 0 | 0 | 0 | 109.9 | G178 K179 I180 N186 I395 K399 | G178-I182 WeakPolarHBondContact O-CG1 3.34Å; G178-I182 PolarHBondContact O-N 3.39Å; K179-I182 HydrophobicContact CD-CD1 4.43Å; K179-I182 PolarHBondContact O-N 2.99Å; I180-I182 PolarHBondContact O-N 3.46Å; I182-N186 PolarHBondContact O-N 3.07Å; I182-N186 VanDerWaalsContact O-N 3.11Å; I182-N186 PolarHBondContact O-ND2 2.81Å; I182-I395 HydrophobicContact CG1-CD1 4.26Å; I182-I395 HydrophobicContact CG1-CG2 4.09Å; I182-K399 HydrophobicContact CD1-CB 4.44Å; I182-K399 HydrophobicContact CD1-CG 3.75Å; I182-K399 HydrophobicContact CG1-CG 4.3Å |
| 183 | A | 97.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 5% | 0.05 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y136 K179 I180 S181 N186 G187 I215 | Y136-A183 HydrophobicContact CD1-CB 3.83Å; Y136-A183 HydrophobicContact CE1-CB 4.25Å; K179-A183 PolarHBondContact O-N 3.18Å; K179-A183 VanDerWaalsContact O-N 3.13Å; I180-A183 PolarHBondContact O-N 2.98Å; S181-A183 PolarHBondContact O-N 3.24Å; A183-N186 PolarHBondContact O-N 2.91Å; A183-G187 PolarHBondContact O-N 3.48Å; A183-I215 HydrophobicContact CB-CB 3.55Å; A183-I215 HydrophobicContact CB-CD1 4.16Å; A183-I215 HydrophobicContact CB-CG1 4.4Å; A183-I215 HydrophobicContact CB-CG2 3.73Å |
| 184 | V | 98.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | -179 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | I180 N186 G187 L188 V202 I207 L217 F260 | I180-V184 HydrophobicContact CG2-CG2 4.06Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.29Å; V184-N186 PolarHBondContact O-N 3Å; V184-G187 PolarHBondContact O-N 3.2Å; V184-L188 HydrophobicContact CG1-CD1 4.03Å; V184-L188 HydrophobicContact CG1-CG 4.25Å; V184-L188 WeakPolarHBondContact O-CB 3.4Å; V184-L188 WeakPolarHBondContact O-CG 2.88Å; V184-L188 PolarHBondContact O-N 2.86Å; V184-V202 HydrophobicContact CG1-CG1 4.43Å; V184-I207 HydrophobicContact CG2-CD1 3.93Å; V184-I207 HydrophobicContact CG2-CG1 4.21Å; V184-I207 HydrophobicContact CG2-CG2 4.28Å; V184-L217 HydrophobicContact CG1-CD1 4.47Å; V184-L217 HydrophobicContact CG1-CD2 4.22Å; V184-L217 HydrophobicContact CG2-CD2 4.17Å; V184-F260 HydrophobicContact CB-CD2 4.06Å; V184-F260 HydrophobicContact CB-CE2 3.73Å; V184-F260 HydrophobicContact CB-CZ 4.02Å; V184-F260 HydrophobicContact CG1-CD1 4.28Å; V184-F260 HydrophobicContact CG1-CD2 3.5Å; V184-F260 HydrophobicContact CG1-CE1 4.45Å; V184-F260 HydrophobicContact CG1-CE2 3.73Å; V184-F260 HydrophobicContact CG1-CG 3.83Å; V184-F260 HydrophobicContact CG1-CZ 4.23Å; V184-F260 HydrophobicContact CG2-CD2 4.27Å; V184-F260 HydrophobicContact CG2-CE2 3.83Å; V184-F260 HydrophobicContact CG2-CZ 4.47Å |
| 185 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.1 | -71.3 | 175.4 | 0 | 0 | 0 | 112.1 | S181 G187 L188 Q189 I257 F260 F371 V386 L389 L390 I395 | S181-L185 VanDerWaalsContact O-CB 3.32Å; S181-L185 WeakPolarHBondContact O-CB 3.37Å; S181-L185 VanDerWaalsContact O-CG 3.22Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.12Å; L185-G187 VanDerWaalsContact C-N 3.34Å; L185-L188 PolarHBondContact O-N 3.08Å; L185-Q189 WeakPolarHBondContact O-CB 3.21Å; L185-Q189 PolarHBondContact O-N 3.26Å; L185-I257 HydrophobicContact CD2-CD1 3.96Å; L185-F260 HydrophobicContact CD2-CE1 4.49Å; L185-F260 HydrophobicContact CG-CE1 4.42Å; L185-F371 HydrophobicContact CD1-CE2 4.18Å; L185-F371 HydrophobicContact CD1-CZ 3.97Å; L185-V386 HydrophobicContact CB-CG1 4.49Å; L185-V386 HydrophobicContact CD2-CG1 4.43Å; L185-V386 WeakPolarHBondContact O-CG1 3.28Å; L185-L389 HydrophobicContact CD1-CB 3.78Å; L185-L389 HydrophobicContact CD2-CB 3.91Å; L185-L389 HydrophobicContact CD2-CD1 3.93Å; L185-L390 HydrophobicContact CB-CD2 3.62Å; L185-L390 HydrophobicContact CB-CG 4Å; L185-L390 HydrophobicContact CD1-CD2 4.13Å; L185-L390 HydrophobicContact CD1-CG 4.3Å; L185-I395 HydrophobicContact CD1-CD1 4Å; L185-I395 HydrophobicContact CD1-CG1 4.07Å |
| 186 | N | 96.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.214 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -37.1 | 175.5 | -77.3 | -74.3 | 0 | 0 | 0 | 112 | Y136 I182 A183 V184 Q189 Y190 | Y136-N186 HydrophobicContact CD1-CB 4.37Å; Y136-N186 HydrophobicContact CD2-CB 3.35Å; Y136-N186 HydrophobicContact CE1-CB 4.34Å; Y136-N186 HydrophobicContact CE2-CB 3.32Å; Y136-N186 HydrophobicContact CG-CB 3.89Å; I182-N186 PolarHBondContact O-N 3.07Å; I182-N186 VanDerWaalsContact O-N 3.11Å; I182-N186 PolarHBondContact O-ND2 2.81Å; A183-N186 PolarHBondContact O-N 2.91Å; V184-N186 PolarHBondContact O-N 3Å; N186-Q189 PolarHBondContact O-N 2.91Å; N186-Y190 WeakPolarHBondContact O-CB 3.44Å; N186-Y190 PolarHBondContact O-N 2.97Å |
| 187 | G | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A183 V184 L185 Q189 Y190 L191 | A183-G187 PolarHBondContact O-N 3.48Å; V184-G187 PolarHBondContact O-N 3.2Å; L185-G187 VanDerWaalsContact C-N 3.34Å; G187-Q189 PolarHBondContact O-N 2.75Å; G187-Y190 PolarHBondContact O-N 2.72Å; G187-L191 WeakPolarHBondContact O-CG 3.48Å; G187-L191 PolarHBondContact O-N 3.15Å |
| 188 | L | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 176 | -70.3 | 179.6 | 0 | 0 | 0 | 112.2 | V184 L185 L191 K192 H199 V202 L217 I253 D256 I257 V386 | V184-L188 HydrophobicContact CG1-CD1 4.03Å; V184-L188 HydrophobicContact CG1-CG 4.25Å; V184-L188 WeakPolarHBondContact O-CB 3.4Å; V184-L188 WeakPolarHBondContact O-CG 2.88Å; V184-L188 PolarHBondContact O-N 2.86Å; L185-L188 PolarHBondContact O-N 3.08Å; L188-L191 PolarHBondContact O-N 3.1Å; L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 PolarHBondContact O-N 3.32Å; L188-H199 HydrophobicContact CD2-CB 3.8Å; L188-V202 HydrophobicContact CD2-CG2 3.95Å; L188-L217 HydrophobicContact CD2-CD1 4.15Å; L188-L217 HydrophobicContact CG-CD1 4.19Å; L188-I253 HydrophobicContact CB-CD1 4.3Å; L188-D256 HydrophobicContact CD1-CB 4.2Å; L188-D256 HydrophobicContact CD2-CB 4.04Å; L188-I257 HydrophobicContact CD1-CD1 4.15Å; L188-V386 HydrophobicContact CB-CG2 4.35Å |
| 189 | Q | 95.2 | Very high | 94 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 21% | 0.21 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 174.2 | -169.2 | 174.3 | 34.4 | 0 | 0 | 110.9 | L185 N186 G187 K192 E193 V386 L390 | L185-Q189 WeakPolarHBondContact O-CB 3.21Å; L185-Q189 PolarHBondContact O-N 3.26Å; N186-Q189 PolarHBondContact O-N 2.91Å; G187-Q189 PolarHBondContact O-N 2.75Å; Q189-K192 PolarHBondContact O-N 3.05Å; Q189-E193 HydrophobicContact CG-CG 4Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.49Å; Q189-E193 PolarHBondContact NE2-OE1 2.68Å; Q189-E193 PolarHBondContact NE2-OE2 3.07Å; Q189-E193 WeakPolarHBondContact O-CB 3Å; Q189-E193 PolarHBondContact O-N 3Å; Q189-V386 HydrophobicContact CB-CG1 3.77Å; Q189-V386 HydrophobicContact CG-CG1 4.36Å; Q189-L390 VanDerWaalsContact OE1-CD1 3.24Å |
| 190 | Y | 93.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 178.8 | 174.2 | -92.3 | 0 | 0 | 0 | 111.5 | I51 N133 I137 N186 G187 K192 K194 L195 | I51-Y190 HydrophobicContact CD1-CE2 4.19Å; N133-Y190 PolarHBondContact N-OH 3.27Å; N133-Y190 PolarHBondContact O-OH 3.03Å; I137-Y190 HydrophobicContact CG1-CD1 3.82Å; I137-Y190 HydrophobicContact CG1-CE1 4.24Å; N186-Y190 WeakPolarHBondContact O-CB 3.44Å; N186-Y190 PolarHBondContact O-N 2.97Å; G187-Y190 PolarHBondContact O-N 2.72Å; Y190-K192 VanDerWaalsContact C-N 3.31Å; Y190-K192 PolarHBondContact O-N 3.07Å; Y190-K194 HydrophobicContact CD2-CB 4.07Å; Y190-K194 HydrophobicContact CD2-CG 3.8Å; Y190-K194 HydrophobicContact CE2-CB 4.03Å; Y190-K194 HydrophobicContact CE2-CG 4.02Å; Y190-K194 VanDerWaalsContact O-CB 3.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.29Å; Y190-K194 PolarHBondContact O-N 2.9Å; Y190-L195 HydrophobicContact CE1-CD1 3.77Å; Y190-L195 HydrophobicContact CE1-CG 4.2Å |
| 191 | L | 92.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 178.4 | -69.6 | 175.4 | 0 | 0 | 0 | 111.5 | I137 G187 L188 L195 N196 I197 H199 F220 | I137-L191 HydrophobicContact CD1-CD1 3.96Å; I137-L191 HydrophobicContact CD1-CD2 3.96Å; I137-L191 HydrophobicContact CD1-CG 3.76Å; I137-L191 HydrophobicContact CG1-CD2 4.4Å; G187-L191 WeakPolarHBondContact O-CG 3.48Å; G187-L191 PolarHBondContact O-N 3.15Å; L188-L191 PolarHBondContact O-N 3.1Å; L191-L195 HydrophobicContact CD2-CD1 4.26Å; L191-L195 CarbonylContact O-C 3.57Å; L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 PolarHBondContact O-N 2.99Å; L191-N196 PolarHBondContact O-N 3.31Å; L191-I197 CarbonylContact C-O 3.44Å; L191-I197 VanDerWaalsContact C-O 3.31Å; L191-I197 PolarHBondContact O-N 2.82Å; L191-H199 HydrophobicContact CD1-CB 4.37Å; L191-F220 HydrophobicContact CD1-CB 3.99Å; L191-F220 HydrophobicContact CD1-CD1 4.47Å; L191-F220 HydrophobicContact CD1-CD2 4.3Å; L191-F220 HydrophobicContact CD1-CG 4.02Å; L191-F220 HydrophobicContact CD2-CD1 4.45Å; L191-F220 HydrophobicContact CD2-CD2 3.67Å; L191-F220 HydrophobicContact CD2-CE1 4.46Å; L191-F220 HydrophobicContact CD2-CE2 3.63Å; L191-F220 HydrophobicContact CD2-CG 4.09Å; L191-F220 HydrophobicContact CD2-CZ 4.06Å |
| 192 | K | 91.5 | Very high | 92.9 | Very high | 78 Ų | 78 | 36 Ų | 36 | 34% | 0.339 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -75 | -48 | -176.8 | -178.7 | 54.8 | -177.9 | 168 | 0 | 113.2 | L188 Q189 Y190 N196 I197 L198 I253 | L188-K192 WeakPolarHBondContact O-CB 3.45Å; L188-K192 PolarHBondContact O-N 3.32Å; Q189-K192 PolarHBondContact O-N 3.05Å; Y190-K192 VanDerWaalsContact C-N 3.31Å; Y190-K192 PolarHBondContact O-N 3.07Å; K192-N196 PolarHBondContact NZ-OD1 3.42Å; K192-N196 WeakPolarHBondContact O-CA 3.35Å; K192-N196 PolarHBondContact O-N 3.18Å; K192-I197 PolarHBondContact N-O 2.88Å; K192-L198 HydrophobicContact CD-CD2 3.98Å; K192-I253 HydrophobicContact CB-CD1 4.14Å |
| 193 | E | 91.4 | Very high | 92.7 | Very high | 124 Ų | 124 | 35.6 Ų | 35.6 | 58% | 0.579 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -82.8 | -35.8 | -171.8 | -66.2 | -177 | -175.1 | 0 | 0 | 112.8 | Q189 | Q189-E193 HydrophobicContact CG-CG 4Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.49Å; Q189-E193 PolarHBondContact NE2-OE1 2.68Å; Q189-E193 PolarHBondContact NE2-OE2 3.07Å; Q189-E193 WeakPolarHBondContact O-CB 3Å; Q189-E193 PolarHBondContact O-N 3Å |
| 194 | K | 89 | Confident | 92.6 | Very high | 111 Ų | 111 | 35.4 Ų | 35.4 | 48% | 0.483 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -92.2 | -35.1 | -177.8 | -62.2 | -64 | -172.2 | 169.9 | 0 | 113.2 | Y190 | Y190-K194 HydrophobicContact CD2-CB 4.07Å; Y190-K194 HydrophobicContact CD2-CG 3.8Å; Y190-K194 HydrophobicContact CE2-CB 4.03Å; Y190-K194 HydrophobicContact CE2-CG 4.02Å; Y190-K194 VanDerWaalsContact O-CB 3.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.29Å; Y190-K194 PolarHBondContact O-N 2.9Å |
| 195 | L | 86.8 | Confident | 92.4 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -113.7 | -9.1 | -174.9 | -55.1 | -179.5 | 0 | 0 | 0 | 113.7 | C132 Y190 L191 I197 | C132-L195 HydrophobicContact CB-CD1 3.97Å; C132-L195 VanDerWaalsContact SG-CD1 3.6Å; Y190-L195 HydrophobicContact CE1-CD1 3.77Å; Y190-L195 HydrophobicContact CE1-CG 4.2Å; L191-L195 HydrophobicContact CD2-CD1 4.26Å; L191-L195 CarbonylContact O-C 3.57Å; L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 PolarHBondContact O-N 2.99Å; L195-I197 HydrophobicContact CB-CB 4.39Å; L195-I197 HydrophobicContact CB-CD1 3.8Å; L195-I197 HydrophobicContact CB-CG1 3.99Å; L195-I197 HydrophobicContact CD1-CD1 4.24Å; L195-I197 PolarHBondContact O-N 3.14Å |
| 196 | N | 88.9 | Confident | 92.2 | Very high | 108 Ų | 108 | 37.6 Ų | 37.6 | 58% | 0.578 | 18% | 0.182 | S | C | * | . | trans | 54 | 35.4 | -171 | -164.1 | 33.8 | 0 | 0 | 0 | 113.9 | L191 K192 | L191-N196 PolarHBondContact O-N 3.31Å; K192-N196 PolarHBondContact NZ-OD1 3.42Å; K192-N196 WeakPolarHBondContact O-CA 3.35Å; K192-N196 PolarHBondContact O-N 3.18Å | ||
| 197 | I | 88.2 | Confident | 92.2 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | trans | -106.1 | 141.5 | 179.4 | -65.2 | 171.1 | 0 | 0 | 0 | 109.8 | V128 L191 K192 L195 F220 V222 | V128-I197 HydrophobicContact CG1-CD1 4.35Å; L191-I197 CarbonylContact C-O 3.44Å; L191-I197 VanDerWaalsContact C-O 3.31Å; L191-I197 PolarHBondContact O-N 2.82Å; K192-I197 PolarHBondContact N-O 2.88Å; L195-I197 HydrophobicContact CB-CB 4.39Å; L195-I197 HydrophobicContact CB-CD1 3.8Å; L195-I197 HydrophobicContact CB-CG1 3.99Å; L195-I197 HydrophobicContact CD1-CD1 4.24Å; L195-I197 PolarHBondContact O-N 3.14Å; I197-F220 HydrophobicContact CG2-CD2 4.06Å; I197-V222 HydrophobicContact CD1-CG1 4.39Å; I197-V222 HydrophobicContact CD1-CG2 4.15Å | ||
| 198 | L | 89.9 | Confident | 92.3 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | trans | -100.9 | 144.5 | 168.9 | -59.5 | 178.2 | 0 | 0 | 0 | 109.2 | K192 R200 Y251 I253 | K192-L198 HydrophobicContact CD-CD2 3.98Å; L198-R200 HydrophobicContact CB-CG 4.16Å; L198-Y251 HydrophobicContact CB-CD1 4.27Å; L198-Y251 HydrophobicContact CB-CE1 4.22Å; L198-Y251 HydrophobicContact CD1-CD1 3.79Å; L198-Y251 HydrophobicContact CD1-CE1 4.43Å; L198-I253 HydrophobicContact CD2-CB 3.9Å; L198-I253 HydrophobicContact CD2-CD1 4.17Å | ||
| 199 | H | 91.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -72.7 | -45.3 | -175.5 | -170.8 | -50.2 | 0 | 0 | 0 | 112.2 | L188 L191 D201 V202 C218 F220 G221 D256 | L188-H199 HydrophobicContact CD2-CB 3.8Å; L191-H199 HydrophobicContact CD1-CB 4.37Å; H199-D201 PolarHBondContact CE1-O 3.01Å; H199-D201 PolarHBondContact ND1-N 3.46Å; H199-D201 PolarHBondContact O-N 2.94Å; H199-V202 HydrophobicContact CB-CG2 3.72Å; H199-C218 PolarHBondContact CE1-O 3.26Å; H199-C218 VanDerWaalsContact CE1-O 3.23Å; H199-C218 PolarHBondContact NE2-O 3.02Å; H199-C218 VanDerWaalsContact NE2-O 3.14Å; H199-F220 HydrophobicContact CB-CB 4.28Å; H199-G221 PolarHBondContact O-N 3.23Å; H199-D256 PolarHBondContact N-OD2 3.35Å | ||
| 200 | R | 89.7 | Confident | 92.4 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 71.3 | -4.6 | 177 | -56.7 | 176 | 176.6 | -150.3 | 2.6 | 117.3 | L198 R245 Y251 D256 | L198-R200 HydrophobicContact CB-CG 4.16Å; R200-R245 PolarHBondContact O-NH1 3.41Å; R200-Y251 VanDerWaalsContact CA-OH 3.31Å; R200-Y251 WeakPolarHBondContact CA-OH 3.46Å; R200-Y251 HydrophobicContact CB-CE1 4.14Å; R200-Y251 HydrophobicContact CG-CD1 3.81Å; R200-Y251 HydrophobicContact CG-CE1 3.62Å; R200-D256 PolarHBondContact N-OD1 3.15Å |
| 201 | D | 88.1 | Confident | 92.6 | Very high | 32 Ų | 32 | 35.3 Ų | 35.3 | 17% | 0.171 | 18% | 0.175 | C | C | . | . | trans | -156.3 | 46 | -175.4 | -164.2 | 19.1 | 0 | 0 | 0 | 111.8 | H199 K203 N206 T237 | H199-D201 PolarHBondContact CE1-O 3.01Å; H199-D201 PolarHBondContact ND1-N 3.46Å; H199-D201 PolarHBondContact O-N 2.94Å; D201-K203 PolarHBondContact O-N 2.98Å; D201-K203 WeakPolarHBondContact OD1-CE 3.48Å; D201-K203 IonicContact OD1-NZ 3.4Å; D201-K203 PolarHBondContact OD1-NZ 3.46Å; D201-K203 IonicContact OD2-NZ 3.48Å; D201-K203 PolarHBondContact OD2-NZ 3.07Å; D201-N206 VanDerWaalsContact CG-ND2 3.29Å; D201-N206 PolarHBondContact O-ND2 3.35Å; D201-N206 PolarHBondContact OD2-ND2 3.42Å; D201-T237 WeakPolarHBondContact OD1-CG2 3.28Å | ||
| 202 | V | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -72.3 | 120.4 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 109 | V184 L188 H199 D256 S259 F260 | V184-V202 HydrophobicContact CG1-CG1 4.43Å; L188-V202 HydrophobicContact CD2-CG2 3.95Å; H199-V202 HydrophobicContact CB-CG2 3.72Å; V202-D256 HydrophobicContact CG2-CB 4.03Å; V202-S259 VanDerWaalsContact O-CB 3.25Å; V202-S259 WeakPolarHBondContact O-CB 3.19Å; V202-F260 HydrophobicContact CG1-CB 4.03Å; V202-F260 HydrophobicContact CG1-CD2 4.36Å | ||
| 203 | K | 94.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -162.1 | 165.2 | 177 | 60.8 | -174.3 | 176.3 | -139.7 | 0 | 110.1 | D201 S205 N206 T237 Y240 S263 | D201-K203 PolarHBondContact O-N 2.98Å; D201-K203 WeakPolarHBondContact OD1-CE 3.48Å; D201-K203 IonicContact OD1-NZ 3.4Å; D201-K203 PolarHBondContact OD1-NZ 3.46Å; D201-K203 IonicContact OD2-NZ 3.48Å; D201-K203 PolarHBondContact OD2-NZ 3.07Å; K203-S205 WeakPolarHBondContact CD-OG 3.36Å; K203-S205 WeakPolarHBondContact CE-OG 3.43Å; K203-S205 WeakPolarHBondContact CG-OG 3.36Å; K203-S205 PolarHBondContact O-N 2.91Å; K203-S205 VanDerWaalsContact O-N 3.12Å; K203-N206 HydrophobicContact CG-CB 4.27Å; K203-N206 PolarHBondContact O-N 3.47Å; K203-T237 PolarHBondContact NZ-OG1 3.26Å; K203-Y240 HydrophobicContact CB-CD1 4.07Å; K203-Y240 HydrophobicContact CB-CD2 3.76Å; K203-Y240 HydrophobicContact CB-CE1 4.14Å; K203-Y240 HydrophobicContact CB-CE2 3.85Å; K203-Y240 HydrophobicContact CB-CG 3.89Å; K203-Y240 HydrophobicContact CD-CD2 4.03Å; K203-Y240 HydrophobicContact CD-CE2 4.08Å; K203-S263 WeakPolarHBondContact CA-OG 3.34Å |
| 204 | P | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -55.5 | -33.4 | -178.1 | -29.3 | 38.6 | 0 | 0 | 0 | 114.4 | L162 D163 N206 I207 E266 L267 | L162-P204 HydrophobicContact CB-CB 4.09Å; L162-P204 WeakPolarHBondContact CB-O 3.46Å; L162-P204 PolarHBondContact N-O 2.92Å; D163-P204 HydrophobicContact CB-CB 4.04Å; D163-P204 PolarHBondContact N-O 3.1Å; P204-N206 PolarHBondContact O-N 3.12Å; P204-I207 PolarHBondContact O-N 3.26Å; P204-E266 WeakPolarHBondContact CG-OE2 3.24Å; P204-L267 HydrophobicContact CB-CD2 4.18Å; P204-L267 HydrophobicContact CG-CD2 4.28Å; P204-L267 HydrophobicContact CG-CG 4.25Å |
| 205 | S | 92.7 | Very high | 93.6 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 29% | 0.287 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -68.8 | -16.4 | 177.5 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | S161 D163 K203 | S161-S205 WeakPolarHBondContact CB-O 3.47Å; D163-S205 VanDerWaalsContact OD1-CA 3.29Å; D163-S205 WeakPolarHBondContact OD1-CA 3.49Å; K203-S205 WeakPolarHBondContact CD-OG 3.36Å; K203-S205 WeakPolarHBondContact CE-OG 3.43Å; K203-S205 WeakPolarHBondContact CG-OG 3.36Å; K203-S205 PolarHBondContact O-N 2.91Å; K203-S205 VanDerWaalsContact O-N 3.12Å |
| 206 | N | 94.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -108.2 | 11.1 | -179.3 | -68.1 | -3.3 | 0 | 0 | 0 | 112.4 | D201 K203 P204 C218 | D201-N206 VanDerWaalsContact CG-ND2 3.29Å; D201-N206 PolarHBondContact O-ND2 3.35Å; D201-N206 PolarHBondContact OD2-ND2 3.42Å; K203-N206 HydrophobicContact CG-CB 4.27Å; K203-N206 PolarHBondContact O-N 3.47Å; P204-N206 PolarHBondContact O-N 3.12Å; N206-C218 PolarHBondContact O-N 3.48Å |
| 207 | I | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 112.5 | 172.6 | -55.8 | 163.5 | 0 | 0 | 0 | 106.8 | S161 L162 V184 P204 I215 L217 | S161-I207 CarbonylContact C-O 3.31Å; S161-I207 WeakPolarHBondContact CA-O 3.49Å; L162-I207 HydrophobicContact CD1-CB 3.82Å; L162-I207 HydrophobicContact CD1-CD1 4.18Å; L162-I207 HydrophobicContact CD1-CG2 3.51Å; L162-I207 HydrophobicContact CG-CB 3.96Å; L162-I207 HydrophobicContact CG-CG2 3.86Å; L162-I207 WeakPolarHBondContact CG-O 3.36Å; L162-I207 PolarHBondContact N-O 3.32Å; V184-I207 HydrophobicContact CG2-CD1 3.93Å; V184-I207 HydrophobicContact CG2-CG1 4.21Å; V184-I207 HydrophobicContact CG2-CG2 4.28Å; P204-I207 PolarHBondContact O-N 3.26Å; I207-I215 HydrophobicContact CG2-CG2 3.72Å; I207-L217 HydrophobicContact CG1-CD2 3.84Å |
| 208 | L | 97.7 | Very high | 94.8 | Very high | 30 Ų | 30 | 20.9 Ų | 20.9 | 16% | 0.157 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 148.9 | -176.8 | -54.4 | -169 | 0 | 0 | 0 | 111.7 | V138 M157 L160 I215 K216 C218 | V138-L208 HydrophobicContact CG2-CB 4.35Å; V138-L208 HydrophobicContact CG2-CD1 3.94Å; V138-L208 HydrophobicContact CG2-CG 4.28Å; M157-L208 HydrophobicContact CB-CB 3.75Å; M157-L208 HydrophobicContact CB-CD1 4Å; M157-L208 HydrophobicContact CB-CG 4.5Å; M157-L208 HydrophobicContact CE-CB 4.32Å; M157-L208 HydrophobicContact CG-CB 3.72Å; M157-L208 HydrophobicContact CG-CD1 3.84Å; M157-L208 HydrophobicContact CG-CG 4.44Å; L160-L208 CarbonylContact O-C 3.56Å; L160-L208 WeakPolarHBondContact O-CA 3.24Å; L208-I215 CarbonylContact O-C 3.36Å; L208-I215 WeakPolarHBondContact O-CA 3.49Å; L208-K216 PolarHBondContact N-O 2.93Å; L208-K216 PolarHBondContact O-N 2.97Å; L208-C218 HydrophobicContact CD1-CB 4.19Å; L208-C218 HydrophobicContact CG-CB 4.33Å |
| 209 | V | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 158.3 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 112 | G159 L160 L162 V165 E214 I215 F405 V409 | G159-V209 CarbonylContact C-O 3.44Å; G159-V209 WeakPolarHBondContact CA-O 3.28Å; G159-V209 PolarHBondContact N-O 2.89Å; L160-V209 PolarHBondContact N-O 2.92Å; L160-V209 PolarHBondContact O-N 3.24Å; L162-V209 HydrophobicContact CD2-CG1 3.56Å; L162-V209 HydrophobicContact CD2-CG2 4.23Å; L162-V209 HydrophobicContact CG-CG1 4.48Å; V165-V209 HydrophobicContact CG2-CG2 4.07Å; V209-E214 VanDerWaalsContact CA-O 3.25Å; V209-E214 WeakPolarHBondContact CA-O 3.43Å; V209-I215 HydrophobicContact CG1-CB 4.44Å; V209-I215 HydrophobicContact CG1-CG1 4.08Å; V209-I215 HydrophobicContact CG1-CG2 4.28Å; V209-F405 HydrophobicContact CB-CE1 4.41Å; V209-F405 HydrophobicContact CG1-CE1 4.08Å; V209-F405 HydrophobicContact CG1-CZ 3.98Å; V209-V409 HydrophobicContact CB-CG2 4.16Å; V209-V409 HydrophobicContact CG2-CG1 4.12Å; V209-V409 HydrophobicContact CG2-CG2 4.1Å |
| 210 | N | 96.7 | Very high | 94.2 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 7% | 0.07 | 12% | 0.124 | C | C | . | . | trans | -134.8 | 166.3 | 176.5 | 75.9 | 10.2 | 0 | 0 | 0 | 113.1 | M157 D158 Q212 G213 E214 V409 | M157-N210 HydrophobicContact CE-CB 3.93Å; M157-N210 HydrophobicContact SD-CB 4.18Å; D158-N210 WeakPolarHBondContact OD1-CA 3.27Å; D158-N210 WeakPolarHBondContact OD1-CB 3.33Å; N210-Q212 PolarHBondContact O-N 2.86Å; N210-Q212 VanDerWaalsContact O-N 3.1Å; N210-Q212 WeakPolarHBondContact OD1-CA 3.34Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.23Å; N210-Q212 PolarHBondContact OD1-N 3.45Å; N210-Q212 VanDerWaalsContact OD1-N 3.13Å; N210-G213 PolarHBondContact O-N 3.11Å; N210-G213 PolarHBondContact OD1-N 3.19Å; N210-G213 VanDerWaalsContact OD1-N 3.16Å; N210-E214 PolarHBondContact N-O 2.86Å; N210-E214 PolarHBondContact ND2-OE2 2.91Å; N210-E214 WeakPolarHBondContact OD1-CB 3.47Å; N210-E214 PolarHBondContact OD1-N 3.48Å; N210-V409 WeakPolarHBondContact O-CG1 3.37Å | ||
| 211 | S | 96.2 | Very high | 93.6 | Very high | 22 Ų | 22 | 21 Ų | 21 | 15% | 0.154 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.8 | -179.6 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | D158 G213 R410 | D158-S211 PolarHBondContact OD1-N 3.02Å; D158-S211 PolarHBondContact OD1-OG 2.76Å; D158-S211 WeakPolarHBondContact OD2-CB 3.48Å; D158-S211 PolarHBondContact OD2-OG 3.23Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-R410 PolarHBondContact O-NH1 3.1Å |
| 212 | Q | 95.2 | Very high | 92.7 | Very high | 106 Ų | 106 | 20.9 Ų | 20.9 | 50% | 0.495 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.6 | 172.9 | -56.8 | -57.6 | -46.6 | 0 | 0 | 112.6 | R60 N210 | R60-Q212 PolarHBondContact NH1-O 3.24Å; R60-Q212 PolarHBondContact NH2-O 2.57Å; N210-Q212 PolarHBondContact O-N 2.86Å; N210-Q212 VanDerWaalsContact O-N 3.1Å; N210-Q212 WeakPolarHBondContact OD1-CA 3.34Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.23Å; N210-Q212 PolarHBondContact OD1-N 3.45Å; N210-Q212 VanDerWaalsContact OD1-N 3.13Å |
| 213 | G | 95.2 | Very high | 91.7 | Very high | 23 Ų | 23 | 21 Ų | 21 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | trans | 77.9 | 21.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N210 S211 | N210-G213 PolarHBondContact O-N 3.11Å; N210-G213 PolarHBondContact OD1-N 3.19Å; N210-G213 VanDerWaalsContact OD1-N 3.16Å; S211-G213 VanDerWaalsContact C-N 3.33Å | ||
| 214 | E | 97.3 | Very high | 90.6 | Very high | 29 Ų | 29 | 21.1 Ų | 21.1 | 14% | 0.136 | 13% | 0.127 | C | C | . | . | trans | -79.5 | 147.6 | 170.4 | -60.1 | 173.3 | 85.5 | 0 | 0 | 110.3 | M157 V209 N210 K216 | M157-E214 HydrophobicContact CE-CB 4.26Å; V209-E214 VanDerWaalsContact CA-O 3.25Å; V209-E214 WeakPolarHBondContact CA-O 3.43Å; N210-E214 PolarHBondContact N-O 2.86Å; N210-E214 PolarHBondContact ND2-OE2 2.91Å; N210-E214 WeakPolarHBondContact OD1-CB 3.47Å; N210-E214 PolarHBondContact OD1-N 3.48Å; E214-K216 WeakPolarHBondContact OE1-CE 3.38Å; E214-K216 IonicContact OE1-NZ 2.74Å; E214-K216 PolarHBondContact OE1-NZ 3.14Å; E214-K216 VanDerWaalsContact OE1-NZ 3.16Å | ||
| 215 | I | 98.3 | Very high | 89.2 | Confident | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.4 | 176.9 | -51.5 | 170.4 | 0 | 0 | 0 | 106.3 | K179 I180 A183 I207 L208 V209 F405 | K179-I215 HydrophobicContact CB-CD1 4.18Å; I180-I215 HydrophobicContact CG1-CD1 3.96Å; A183-I215 HydrophobicContact CB-CB 3.55Å; A183-I215 HydrophobicContact CB-CD1 4.16Å; A183-I215 HydrophobicContact CB-CG1 4.4Å; A183-I215 HydrophobicContact CB-CG2 3.73Å; I207-I215 HydrophobicContact CG2-CG2 3.72Å; L208-I215 CarbonylContact O-C 3.36Å; L208-I215 WeakPolarHBondContact O-CA 3.49Å; V209-I215 HydrophobicContact CG1-CB 4.44Å; V209-I215 HydrophobicContact CG1-CG1 4.08Å; V209-I215 HydrophobicContact CG1-CG2 4.28Å; I215-F405 HydrophobicContact CD1-CD1 4.35Å; I215-F405 HydrophobicContact CD1-CD2 4.35Å; I215-F405 HydrophobicContact CD1-CE1 3.75Å; I215-F405 HydrophobicContact CD1-CE2 3.72Å; I215-F405 HydrophobicContact CD1-CZ 3.4Å; I215-F405 HydrophobicContact CG1-CD1 4.33Å; I215-F405 HydrophobicContact CG1-CE1 3.53Å; I215-F405 HydrophobicContact CG1-CE2 4.37Å; I215-F405 HydrophobicContact CG1-CZ 3.56Å |
| 216 | K | 98.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 22.7 Ų | 22.7 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.7 | -170.4 | -61.7 | -175.4 | -178.9 | -173.7 | 0 | 112.4 | P135 Y136 V138 E155 M157 L208 E214 | P135-K216 WeakPolarHBondContact O-CE 3.36Å; P135-K216 WeakPolarHBondContact O-CG 3.32Å; Y136-K216 CarbonylContact O-C 3.47Å; Y136-K216 VanDerWaalsContact O-CA 3.32Å; Y136-K216 WeakPolarHBondContact O-CA 3.49Å; V138-K216 HydrophobicContact CG2-CB 3.59Å; E155-K216 WeakPolarHBondContact OE1-CD 3.22Å; E155-K216 WeakPolarHBondContact OE1-CE 3.49Å; E155-K216 IonicContact OE1-NZ 3.07Å; E155-K216 PolarHBondContact OE1-NZ 3.06Å; E155-K216 IonicContact OE2-NZ 2.63Å; E155-K216 PolarHBondContact OE2-NZ 2.94Å; M157-K216 HydrophobicContact CE-CB 4.09Å; M157-K216 HydrophobicContact CE-CD 3.95Å; M157-K216 HydrophobicContact CE-CG 3.98Å; M157-K216 HydrophobicContact SD-CD 4.13Å; L208-K216 PolarHBondContact N-O 2.93Å; L208-K216 PolarHBondContact O-N 2.97Å; E214-K216 WeakPolarHBondContact OE1-CE 3.38Å; E214-K216 IonicContact OE1-NZ 2.74Å; E214-K216 PolarHBondContact OE1-NZ 3.14Å; E214-K216 VanDerWaalsContact OE1-NZ 3.16Å |
| 217 | L | 96.9 | Very high | 87 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.3 | 174.3 | -63.7 | 169.6 | 0 | 0 | 0 | 110.8 | Y136 I137 V138 V184 L188 I207 | Y136-L217 PolarHBondContact O-N 2.89Å; I137-L217 HydrophobicContact CD1-CB 4.02Å; I137-L217 HydrophobicContact CD1-CD1 4.29Å; V138-L217 WeakPolarHBondContact CG2-O 3.34Å; V138-L217 PolarHBondContact N-O 3.36Å; V184-L217 HydrophobicContact CG1-CD1 4.47Å; V184-L217 HydrophobicContact CG1-CD2 4.22Å; V184-L217 HydrophobicContact CG2-CD2 4.17Å; L188-L217 HydrophobicContact CD2-CD1 4.15Å; L188-L217 HydrophobicContact CG-CD1 4.19Å; I207-L217 HydrophobicContact CG1-CD2 3.84Å |
| 218 | C | 93.2 | Very high | 85.6 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | trans | -126.4 | 174.6 | 171.1 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | V138 H199 N206 L208 F220 | V138-C218 HydrophobicContact CB-CB 3.99Å; V138-C218 HydrophobicContact CG1-CB 4.42Å; V138-C218 HydrophobicContact CG2-CB 3.79Å; H199-C218 PolarHBondContact CE1-O 3.26Å; H199-C218 VanDerWaalsContact CE1-O 3.23Å; H199-C218 PolarHBondContact NE2-O 3.02Å; H199-C218 VanDerWaalsContact NE2-O 3.14Å; N206-C218 PolarHBondContact O-N 3.48Å; L208-C218 HydrophobicContact CD1-CB 4.19Å; L208-C218 HydrophobicContact CG-CB 4.33Å; C218-F220 PolarHBondContact O-N 3.32Å; C218-F220 VanDerWaalsContact O-N 3.15Å | ||
| 219 | D | 85.3 | Confident | 84.1 | Confident | 55 Ų | 55 | 25.7 Ų | 25.7 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | trans | 55.9 | 33.8 | 172.4 | -74.2 | -19.2 | 0 | 0 | 0 | 114.8 | K108 | K108-D219 IonicContact NZ-OD1 3.67Å; K108-D219 PolarHBondContact NZ-OD1 2.72Å; K108-D219 IonicContact NZ-OD2 2.66Å; K108-D219 PolarHBondContact NZ-OD2 2.96Å | ||
| 220 | F | 83.7 | Confident | 82.6 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 9% | 0.088 | 16% | 0.161 | C | C | . | . | trans | -77.9 | 147.1 | 172.5 | 56.3 | -84.6 | 0 | 0 | 0 | 111.7 | L129 C132 I137 L191 I197 H199 C218 V222 | L129-F220 HydrophobicContact CD2-CD2 4.37Å; L129-F220 HydrophobicContact CD2-CE1 4.03Å; L129-F220 HydrophobicContact CD2-CE2 3.38Å; L129-F220 HydrophobicContact CD2-CZ 3.14Å; C132-F220 HydrophobicContact CB-CZ 4.35Å; I137-F220 HydrophobicContact CG2-CD1 4.22Å; I137-F220 HydrophobicContact CG2-CE1 3.32Å; I137-F220 HydrophobicContact CG2-CZ 3.74Å; L191-F220 HydrophobicContact CD1-CB 3.99Å; L191-F220 HydrophobicContact CD1-CD1 4.47Å; L191-F220 HydrophobicContact CD1-CD2 4.3Å; L191-F220 HydrophobicContact CD1-CG 4.02Å; L191-F220 HydrophobicContact CD2-CD1 4.45Å; L191-F220 HydrophobicContact CD2-CD2 3.67Å; L191-F220 HydrophobicContact CD2-CE1 4.46Å; L191-F220 HydrophobicContact CD2-CE2 3.63Å; L191-F220 HydrophobicContact CD2-CG 4.09Å; L191-F220 HydrophobicContact CD2-CZ 4.06Å; I197-F220 HydrophobicContact CG2-CD2 4.06Å; H199-F220 HydrophobicContact CB-CB 4.28Å; C218-F220 PolarHBondContact O-N 3.32Å; C218-F220 VanDerWaalsContact O-N 3.15Å; F220-V222 HydrophobicContact CD2-CG2 3.38Å; F220-V222 HydrophobicContact CE2-CG2 3.25Å; F220-V222 HydrophobicContact CG-CG2 4.49Å; F220-V222 HydrophobicContact CZ-CG2 4.28Å; F220-V222 PolarHBondContact O-N 3.3Å | ||
| 221 | G | 76.5 | Confident | 80.8 | Confident | 16 Ų | 16 | 28.2 Ų | 28.2 | 17% | 0.165 | 16% | 0.163 | C | C | . | . | trans | -74.7 | 83.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H199 | H199-G221 PolarHBondContact O-N 3.23Š| ||
| 222 | V | 70.6 | Confident | 78.7 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | trans | -86.1 | -35.7 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 113.4 | V128 L129 I197 F220 | V128-V222 HydrophobicContact CB-CG1 3.93Å; V128-V222 HydrophobicContact CG1-CG1 4.26Å; L129-V222 HydrophobicContact CD2-CB 4.36Å; L129-V222 HydrophobicContact CD2-CG2 3.43Å; L129-V222 VanDerWaalsContact CD2-CG2 3.43Å; L129-V222 HydrophobicContact CG-CB 4.4Å; L129-V222 HydrophobicContact CG-CG1 4.43Å; L129-V222 HydrophobicContact CG-CG2 3.97Å; I197-V222 HydrophobicContact CD1-CG1 4.39Å; I197-V222 HydrophobicContact CD1-CG2 4.15Å; F220-V222 HydrophobicContact CD2-CG2 3.38Å; F220-V222 HydrophobicContact CE2-CG2 3.25Å; F220-V222 HydrophobicContact CG-CG2 4.49Å; F220-V222 HydrophobicContact CZ-CG2 4.28Å; F220-V222 PolarHBondContact O-N 3.3Å | ||
| 223 | S | 73.2 | Confident | 76.6 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -106.5 | 110.4 | -179.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | E125 Q225 L226 I227 | E125-S223 VanDerWaalsContact OE2-CA 3.24Å; E125-S223 WeakPolarHBondContact OE2-CA 3.18Å; E125-S223 WeakPolarHBondContact OE2-CB 3.24Å; E125-S223 PolarHBondContact OE2-OG 2.91Å; S223-Q225 PolarHBondContact O-N 3.31Å; S223-L226 PolarHBondContact O-N 2.87Å; S223-L226 WeakPolarHBondContact OG-CB 3.29Å; S223-L226 PolarHBondContact OG-N 3.03Å; S223-I227 WeakPolarHBondContact O-CD1 3.42Å; S223-I227 WeakPolarHBondContact O-CG1 3.49Å; S223-I227 PolarHBondContact O-N 2.97Å | ||
| 224 | G | 71.2 | Confident | 74.6 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -38.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I227 N228 | G224-I227 PolarHBondContact O-N 3.36Å; G224-N228 WeakPolarHBondContact O-CB 3.42Å; G224-N228 PolarHBondContact O-N 3.44Å; G224-N228 PolarHBondContact O-ND2 2.8Å |
| 225 | Q | 65.9 | Low | 72.5 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 29% | 0.285 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 175.6 | -66.9 | -64.4 | -20.1 | 0 | 0 | 112.5 | Q121 I122 S223 N228 S229 | Q121-Q225 HydrophobicContact CG-CG 4.41Å; I122-Q225 HydrophobicContact CD1-CB 4.4Å; I122-Q225 HydrophobicContact CG1-CB 3.77Å; S223-Q225 PolarHBondContact O-N 3.31Å; Q225-N228 PolarHBondContact O-N 3.5Å; Q225-S229 WeakPolarHBondContact O-CB 3.33Å; Q225-S229 PolarHBondContact O-N 3.3Å; Q225-S229 PolarHBondContact O-OG 3.47Å |
| 226 | L | 70 | Confident | 70.4 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 176 | -172.6 | 66.3 | 0 | 0 | 0 | 111.1 | I110 L112 I122 L126 S223 N228 S229 M230 | I110-L226 HydrophobicContact CD1-CD1 4.33Å; I110-L226 HydrophobicContact CD1-CD2 4.16Å; I110-L226 HydrophobicContact CG2-CD1 4.31Å; L112-L226 HydrophobicContact CD1-CD1 3.58Å; L112-L226 HydrophobicContact CD2-CD1 4.41Å; I122-L226 HydrophobicContact CG2-CB 4.21Å; I122-L226 HydrophobicContact CG2-CD1 4.17Å; L126-L226 HydrophobicContact CD2-CD2 4.4Å; S223-L226 PolarHBondContact O-N 2.87Å; S223-L226 WeakPolarHBondContact OG-CB 3.29Å; S223-L226 PolarHBondContact OG-N 3.03Å; L226-N228 PolarHBondContact O-N 3.49Å; L226-S229 PolarHBondContact O-N 2.87Å; L226-M230 HydrophobicContact CD1-CG 4.35Å; L226-M230 HydrophobicContact CD1-SD 4.39Å; L226-M230 HydrophobicContact CD2-CE 4.35Å; L226-M230 HydrophobicContact CG-CE 4.01Å; L226-M230 HydrophobicContact CG-CG 4.42Å; L226-M230 HydrophobicContact CG-SD 4.22Å; L226-M230 WeakPolarHBondContact O-CB 3.36Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.94Å |
| 227 | I | 70.5 | Confident | 68.6 | Low | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -48.7 | 176.6 | -65.2 | 160.6 | 0 | 0 | 0 | 110 | V19 S223 G224 S229 M230 A231 | V19-I227 HydrophobicContact CG2-CG2 3.98Å; S223-I227 WeakPolarHBondContact O-CD1 3.42Å; S223-I227 WeakPolarHBondContact O-CG1 3.49Å; S223-I227 PolarHBondContact O-N 2.97Å; G224-I227 PolarHBondContact O-N 3.36Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.04Å; I227-M230 PolarHBondContact O-N 2.92Å; I227-A231 WeakPolarHBondContact O-CB 3.45Å; I227-A231 PolarHBondContact O-N 3.2Å |
| 228 | N | 68.4 | Low | 67.4 | Low | 46 Ų | 46 | 41.9 Ų | 41.9 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 178.4 | -75 | -23.9 | 0 | 0 | 0 | 112.1 | V19 G224 Q225 L226 | V19-N228 WeakPolarHBondContact CB-OD1 3.48Å; V19-N228 WeakPolarHBondContact CG2-OD1 3.38Å; G224-N228 WeakPolarHBondContact O-CB 3.42Å; G224-N228 PolarHBondContact O-N 3.44Å; G224-N228 PolarHBondContact O-ND2 2.8Å; Q225-N228 PolarHBondContact O-N 3.5Å; L226-N228 PolarHBondContact O-N 3.49Å |
| 229 | S | 66.1 | Low | 67 | Low | 34 Ų | 34 | 42.4 Ų | 42.4 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 179.2 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | Q225 L226 I227 | Q225-S229 WeakPolarHBondContact O-CB 3.33Å; Q225-S229 PolarHBondContact O-N 3.3Å; Q225-S229 PolarHBondContact O-OG 3.47Å; L226-S229 PolarHBondContact O-N 2.87Å; I227-S229 VanDerWaalsContact C-N 3.29Å; I227-S229 PolarHBondContact O-N 3.04Å |
| 230 | M | 66.3 | Low | 67.3 | Low | 51 Ų | 51 | 41.2 Ų | 41.2 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -79.1 | -28.4 | 179.4 | -67.3 | -168.4 | -51.8 | 0 | 0 | 113.4 | I110 L226 I227 N232 S233 | I110-M230 HydrophobicContact CG2-SD 4.4Å; L226-M230 HydrophobicContact CD1-CG 4.35Å; L226-M230 HydrophobicContact CD1-SD 4.39Å; L226-M230 HydrophobicContact CD2-CE 4.35Å; L226-M230 HydrophobicContact CG-CE 4.01Å; L226-M230 HydrophobicContact CG-CG 4.42Å; L226-M230 HydrophobicContact CG-SD 4.22Å; L226-M230 WeakPolarHBondContact O-CB 3.36Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.94Å; I227-M230 PolarHBondContact O-N 2.92Å; M230-N232 VanDerWaalsContact C-N 3.32Å; M230-N232 PolarHBondContact O-N 3.36Å; M230-S233 PolarHBondContact O-N 3.31Å; M230-S233 PolarHBondContact O-OG 2.69Å |
| 231 | A | 58.4 | Low | 67.7 | Low | 15 Ų | 15 | 41 Ų | 41 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -79.6 | -18 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T18 I227 S233 | T18-A231 HydrophobicContact CG2-CB 3.25Å; T18-A231 WeakPolarHBondContact OG1-CB 3.43Å; I227-A231 WeakPolarHBondContact O-CB 3.45Å; I227-A231 PolarHBondContact O-N 3.2Å; A231-S233 PolarHBondContact O-N 3.38Å |
| 232 | N | 52 | Low | 68.4 | Low | 140 Ų | 140 | 40.2 Ų | 40.2 | 75% | 0.749 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.3 | 169.6 | -74.5 | -20.5 | 0 | 0 | 0 | 112.7 | M230 | M230-N232 VanDerWaalsContact C-N 3.32Å; M230-N232 PolarHBondContact O-N 3.36Å |
| 233 | S | 51.3 | Low | 69.5 | Low | 70 Ų | 70 | 39.3 Ų | 39.3 | 49% | 0.49 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -12.9 | -170.1 | 29.2 | 0 | 0 | 0 | 0 | 115.2 | M230 A231 | M230-S233 PolarHBondContact O-N 3.31Å; M230-S233 PolarHBondContact O-OG 2.69Å; A231-S233 PolarHBondContact O-N 3.38Å |
| 234 | F | 54.3 | Low | 70.3 | Confident | 86 Ų | 86 | 39.7 Ų | 39.7 | 38% | 0.377 | 23% | 0.23 | S | C | . | . | trans | -136.5 | 125.4 | -170.2 | -62.6 | -82.1 | 0 | 0 | 0 | 116.1 | N89 | N89-F234 HydrophobicContact CB-CB 4.06Å; N89-F234 HydrophobicContact CB-CD1 4.08Å; N89-F234 HydrophobicContact CB-CD2 4.39Å; N89-F234 HydrophobicContact CB-CG 3.89Å; N89-F234 WeakPolarHBondContact O-CD2 3.28Å; N89-F234 WeakPolarHBondContact O-CE2 3.37Å; N89-F234 WeakPolarHBondContact O-CZ 3.42Å | ||
| 235 | V | 51.7 | Low | 71 | Confident | 77 Ų | 77 | 40.3 Ų | 40.3 | 47% | 0.467 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -86.2 | -33.3 | -178.1 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | T237 R238 I344 | V235-T237 VanDerWaalsContact C-N 3.34Å; V235-T237 PolarHBondContact O-N 2.87Å; V235-R238 WeakPolarHBondContact O-CB 3.41Å; V235-R238 WeakPolarHBondContact O-CG 3.37Å; V235-R238 PolarHBondContact O-N 3.46Å; V235-I344 HydrophobicContact CG1-CB 3.99Å; V235-I344 HydrophobicContact CG1-CD1 3.99Å; V235-I344 HydrophobicContact CG1-CG1 3.49Å; V235-I344 VanDerWaalsContact CG1-CG1 3.49Å; V235-I344 HydrophobicContact CG1-CG2 4.02Å |
| 236 | G | 54.2 | Low | 72 | Confident | 46 Ų | 46 | 38.6 Ų | 38.6 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -69.1 | -21.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R238 | G236-R238 PolarHBondContact O-N 2.99Š|
| 237 | T | 61.7 | Low | 72.6 | Confident | 25 Ų | 25 | 42 Ų | 42 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -69.1 | -15.2 | 175.6 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | N89 D201 K203 V235 S239 M241 | N89-T237 PolarHBondContact ND2-OG1 3.14Å; D201-T237 WeakPolarHBondContact OD1-CG2 3.28Å; K203-T237 PolarHBondContact NZ-OG1 3.26Å; V235-T237 VanDerWaalsContact C-N 3.34Å; V235-T237 PolarHBondContact O-N 2.87Å; T237-S239 PolarHBondContact O-N 3.02Å; T237-M241 HydrophobicContact CG2-CE 4.43Å |
| 238 | R | 71.1 | Confident | 73.1 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -79.9 | -17.1 | -169.4 | -57.8 | -178.2 | -176.1 | -179 | -1.4 | 114.3 | L15 V235 G236 Y240 M241 L348 | L15-R238 VanDerWaalsContact CD2-NH1 3.35Å; V235-R238 WeakPolarHBondContact O-CB 3.41Å; V235-R238 WeakPolarHBondContact O-CG 3.37Å; V235-R238 PolarHBondContact O-N 3.46Å; G236-R238 PolarHBondContact O-N 2.99Å; R238-Y240 VanDerWaalsContact C-N 3.3Å; R238-Y240 PolarHBondContact O-N 3.33Å; R238-M241 HydrophobicContact CB-CE 4.27Å; R238-M241 HydrophobicContact CB-SD 3.96Å; R238-M241 HydrophobicContact CG-CE 3.74Å; R238-M241 HydrophobicContact CG-SD 3.91Å; R238-M241 VanDerWaalsContact O-CB 3.29Å; R238-M241 WeakPolarHBondContact O-CB 3.43Å; R238-M241 WeakPolarHBondContact O-CG 3.45Å; R238-M241 PolarHBondContact O-N 2.93Å; R238-M241 VanDerWaalsContact O-N 3.08Å; R238-L348 HydrophobicContact CB-CD2 3.98Å |
| 239 | S | 84.5 | Confident | 73.8 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -60.5 | -36.9 | -176.3 | -52.8 | 0 | 0 | 0 | 0 | 112.9 | T237 M241 Y272 L347 I351 | T237-S239 PolarHBondContact O-N 3.02Å; S239-M241 VanDerWaalsContact C-N 3.31Å; S239-M241 PolarHBondContact O-N 2.79Å; S239-Y272 VanDerWaalsContact C-OH 3.31Å; S239-Y272 WeakPolarHBondContact CB-OH 3.2Å; S239-Y272 PolarHBondContact O-OH 2.9Å; S239-L347 WeakPolarHBondContact OG-CD2 3.33Å; S239-I351 WeakPolarHBondContact O-CD1 3.44Å |
| 240 | Y | 92.3 | Very high | 74.6 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -84.8 | -2.7 | 179.8 | -57.8 | -91 | 0 | 0 | 0 | 113.5 | K203 R238 S259 L262 E266 Y272 | K203-Y240 HydrophobicContact CB-CD1 4.07Å; K203-Y240 HydrophobicContact CB-CD2 3.76Å; K203-Y240 HydrophobicContact CB-CE1 4.14Å; K203-Y240 HydrophobicContact CB-CE2 3.85Å; K203-Y240 HydrophobicContact CB-CG 3.89Å; K203-Y240 HydrophobicContact CD-CD2 4.03Å; K203-Y240 HydrophobicContact CD-CE2 4.08Å; R238-Y240 VanDerWaalsContact C-N 3.3Å; R238-Y240 PolarHBondContact O-N 3.33Å; Y240-S259 WeakPolarHBondContact O-CA 3.38Å; Y240-S259 WeakPolarHBondContact O-CB 3.41Å; Y240-S259 PolarHBondContact O-OG 2.64Å; Y240-L262 HydrophobicContact CD1-CB 4.19Å; Y240-E266 VanDerWaalsContact CE1-OE2 3.25Å; Y240-E266 WeakPolarHBondContact CE1-OE2 3.25Å; Y240-E266 PolarHBondContact OH-OE1 3.49Å; Y240-E266 PolarHBondContact OH-OE2 3.2Å; Y240-Y272 HydrophobicContact CD1-CE2 4.28Å; Y240-Y272 HydrophobicContact CE1-CD2 4.09Å; Y240-Y272 AromaticContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE2-CE2 4.44Å; Y240-Y272 AromaticContact CZ-CD2 3.97Å; Y240-Y272 AromaticContact CZ-CE2 3.95Å |
| 241 | M | 90.6 | Very high | 75.3 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.069 | 28% | 0.28 | C | S | . | . | trans | -66.2 | 139.8 | -175.1 | -70.7 | -177 | 179.3 | 0 | 0 | 111.6 | T237 R238 S239 R245 L246 W258 | T237-M241 HydrophobicContact CG2-CE 4.43Å; R238-M241 HydrophobicContact CB-CE 4.27Å; R238-M241 HydrophobicContact CB-SD 3.96Å; R238-M241 HydrophobicContact CG-CE 3.74Å; R238-M241 HydrophobicContact CG-SD 3.91Å; R238-M241 VanDerWaalsContact O-CB 3.29Å; R238-M241 WeakPolarHBondContact O-CB 3.43Å; R238-M241 WeakPolarHBondContact O-CG 3.45Å; R238-M241 PolarHBondContact O-N 2.93Å; R238-M241 VanDerWaalsContact O-N 3.08Å; S239-M241 VanDerWaalsContact C-N 3.31Å; S239-M241 PolarHBondContact O-N 2.79Å; M241-R245 HydrophobicContact SD-CG 4.46Å; M241-L246 HydrophobicContact CB-CD2 3.86Å; M241-L246 HydrophobicContact CB-CG 4.1Å; M241-L246 HydrophobicContact SD-CD2 3.96Å; M241-W258 PolarHBondContact O-NE1 3.07Å | ||
| 242 | A | 92.1 | Very high | 76.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -67.2 | 148.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E244 R245 L246 W258 | A242-E244 HydrophobicContact CB-CG 4.5Å; A242-E244 WeakPolarHBondContact CB-OE1 3.25Å; A242-E244 VanDerWaalsContact CB-OE2 3.24Å; A242-E244 WeakPolarHBondContact CB-OE2 3.42Å; A242-E244 PolarHBondContact O-N 3.41Å; A242-R245 WeakPolarHBondContact O-CB 3.17Å; A242-R245 PolarHBondContact O-N 3.46Å; A242-L246 PolarHBondContact O-N 3.18Å; A242-W258 HydrophobicContact CB-CB 3.7Å; A242-W258 HydrophobicContact CB-CD2 4.3Å; A242-W258 HydrophobicContact CB-CG 3.64Å | ||
| 243 | P | 92.7 | Very high | 78.7 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.1 | -41.8 | -177 | -25.6 | 33.1 | 0 | 0 | 0 | 112.7 | R245 L246 T247 W258 I351 K378 | P243-R245 PolarHBondContact O-N 3Å; P243-L246 PolarHBondContact O-N 2.72Å; P243-L246 VanDerWaalsContact O-N 3.07Å; P243-T247 PolarHBondContact O-N 2.96Å; P243-T247 VanDerWaalsContact O-N 3.07Å; P243-T247 PolarHBondContact O-OG1 2.85Å; P243-W258 HydrophobicContact CG-CD2 4.47Å; P243-W258 HydrophobicContact CG-CE3 4.28Å; P243-W258 HydrophobicContact CG-CH2 3.6Å; P243-W258 HydrophobicContact CG-CZ2 3.83Å; P243-W258 HydrophobicContact CG-CZ3 3.84Å; P243-I351 HydrophobicContact CB-CG2 4.5Å; P243-I351 HydrophobicContact CG-CG2 3.96Å; P243-K378 HydrophobicContact CG-CG 4.36Å |
| 244 | E | 91.5 | Very high | 80.9 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -32.7 | -178.8 | 70.8 | -83.9 | -170.6 | 0 | 0 | 112.5 | A242 T247 G248 S249 S255 P380 R383 | A242-E244 HydrophobicContact CB-CG 4.5Å; A242-E244 WeakPolarHBondContact CB-OE1 3.25Å; A242-E244 VanDerWaalsContact CB-OE2 3.24Å; A242-E244 WeakPolarHBondContact CB-OE2 3.42Å; A242-E244 PolarHBondContact O-N 3.41Å; E244-T247 WeakPolarHBondContact CA-OG1 2.83Å; E244-T247 PolarHBondContact O-OG1 3.39Å; E244-T247 VanDerWaalsContact O-OG1 3.09Å; E244-G248 PolarHBondContact O-N 3.42Å; E244-S249 WeakPolarHBondContact O-CA 3.49Å; E244-S249 WeakPolarHBondContact O-CB 3.25Å; E244-S249 PolarHBondContact O-N 3.43Å; E244-S255 WeakPolarHBondContact OE1-CA 3.16Å; E244-S255 WeakPolarHBondContact OE1-CB 3.46Å; E244-S255 PolarHBondContact OE1-OG 3.09Å; E244-P380 HydrophobicContact CB-CG 3.73Å; E244-P380 VanDerWaalsContact CD-CG 3.49Å; E244-P380 HydrophobicContact CG-CG 3.58Å; E244-R383 IonicContact OE1-CZ 3.8Å; E244-R383 IonicContact OE1-NH1 2.72Å; E244-R383 PolarHBondContact OE1-NH1 2.98Å; E244-R383 IonicContact OE1-NH2 2.97Å; E244-R383 IonicContact OE2-CZ 2.75Å; E244-R383 IonicContact OE2-NH1 3.44Å; E244-R383 PolarHBondContact OE2-NH1 3.01Å; E244-R383 IonicContact OE2-NH2 3.92Å; E244-R383 PolarHBondContact OE2-NH2 3.28Å |
| 245 | R | 86 | Confident | 82.8 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.4 | -37.8 | 176.6 | -171.5 | -171.4 | -169.6 | 166.9 | -5.6 | 111 | R200 M241 A242 P243 T247 G248 Y251 | R200-R245 PolarHBondContact O-NH1 3.41Å; M241-R245 HydrophobicContact SD-CG 4.46Å; A242-R245 WeakPolarHBondContact O-CB 3.17Å; A242-R245 PolarHBondContact O-N 3.46Å; P243-R245 PolarHBondContact O-N 3Å; R245-T247 VanDerWaalsContact C-N 3.29Å; R245-T247 PolarHBondContact O-N 3.33Å; R245-G248 PolarHBondContact O-N 2.89Å; R245-Y251 HydrophobicContact CB-CD2 4.18Å; R245-Y251 VanDerWaalsContact CD-CD2 3.44Å; R245-Y251 HydrophobicContact CG-CD2 3.84Å; R245-Y251 HydrophobicContact CG-CE2 4.39Å |
| 246 | L | 85.4 | Confident | 84.8 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.9 | -28.9 | 179.5 | -62.8 | 177.7 | 0 | 0 | 0 | 112 | M241 A242 P243 G248 L348 I351 V352 | M241-L246 HydrophobicContact CB-CD2 3.86Å; M241-L246 HydrophobicContact CB-CG 4.1Å; M241-L246 HydrophobicContact SD-CD2 3.96Å; A242-L246 PolarHBondContact O-N 3.18Å; P243-L246 PolarHBondContact O-N 2.72Å; P243-L246 VanDerWaalsContact O-N 3.07Å; L246-G248 VanDerWaalsContact C-N 3.32Å; L246-L348 HydrophobicContact CD1-CB 4.37Å; L246-L348 HydrophobicContact CD1-CD2 3.9Å; L246-L348 HydrophobicContact CD2-CD1 4.5Å; L246-L348 HydrophobicContact CD2-CD2 3.82Å; L246-I351 HydrophobicContact CD1-CB 3.96Å; L246-I351 HydrophobicContact CD1-CD1 4.31Å; L246-I351 HydrophobicContact CD1-CG2 3.66Å; L246-V352 HydrophobicContact CB-CG2 3.65Å; L246-V352 HydrophobicContact CD1-CG2 3.91Å; L246-V352 HydrophobicContact CG-CG2 4.44Å |
| 247 | T | 84.3 | Confident | 86.9 | Confident | 85 Ų | 85 | 32 Ų | 32 | 52% | 0.521 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 4.1 | 174.9 | 58 | 0 | 0 | 0 | 0 | 113.7 | P243 E244 R245 V352 | P243-T247 PolarHBondContact O-N 2.96Å; P243-T247 VanDerWaalsContact O-N 3.07Å; P243-T247 PolarHBondContact O-OG1 2.85Å; E244-T247 WeakPolarHBondContact CA-OG1 2.83Å; E244-T247 PolarHBondContact O-OG1 3.39Å; E244-T247 VanDerWaalsContact O-OG1 3.09Å; R245-T247 VanDerWaalsContact C-N 3.29Å; R245-T247 PolarHBondContact O-N 3.33Å; T247-V352 HydrophobicContact CG2-CG1 3.63Å; T247-V352 HydrophobicContact CG2-CG2 4.17Å |
| 248 | G | 80.8 | Confident | 88.6 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 14.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E244 R245 L246 | E244-G248 PolarHBondContact O-N 3.42Å; R245-G248 PolarHBondContact O-N 2.89Å; L246-G248 VanDerWaalsContact C-N 3.32Å |
| 249 | S | 83.4 | Confident | 89.8 | Confident | 65 Ų | 65 | 28.9 Ų | 28.9 | 46% | 0.455 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -76.4 | 163.8 | 169.2 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | E244 Y251 | E244-S249 WeakPolarHBondContact O-CA 3.49Å; E244-S249 WeakPolarHBondContact O-CB 3.25Å; E244-S249 PolarHBondContact O-N 3.43Å; S249-Y251 PolarHBondContact O-N 2.83Å |
| 250 | H | 81.9 | Confident | 90.4 | Very high | 139 Ų | 139 | 27.9 Ų | 27.9 | 64% | 0.644 | 16% | 0.157 | S | C | * | . | P | Polyproline II helix | trans | -62.1 | 131.4 | -177.2 | -68.9 | 85.1 | 0 | 0 | 0 | 112.5 | ||
| 251 | Y | 81.3 | Confident | 90.7 | Very high | 40 Ų | 40 | 26.5 Ų | 26.5 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 133 | 173 | -162 | -90.9 | 0 | 0 | 0 | 110.2 | L198 R200 R245 S249 D256 | L198-Y251 HydrophobicContact CB-CD1 4.27Å; L198-Y251 HydrophobicContact CB-CE1 4.22Å; L198-Y251 HydrophobicContact CD1-CD1 3.79Å; L198-Y251 HydrophobicContact CD1-CE1 4.43Å; R200-Y251 VanDerWaalsContact CA-OH 3.31Å; R200-Y251 WeakPolarHBondContact CA-OH 3.46Å; R200-Y251 HydrophobicContact CB-CE1 4.14Å; R200-Y251 HydrophobicContact CG-CD1 3.81Å; R200-Y251 HydrophobicContact CG-CE1 3.62Å; R245-Y251 HydrophobicContact CB-CD2 4.18Å; R245-Y251 VanDerWaalsContact CD-CD2 3.44Å; R245-Y251 HydrophobicContact CG-CD2 3.84Å; R245-Y251 HydrophobicContact CG-CE2 4.39Å; S249-Y251 PolarHBondContact O-N 2.83Å; Y251-D256 WeakPolarHBondContact CE1-OD1 3.35Å; Y251-D256 PolarHBondContact OH-N 3.02Å; Y251-D256 PolarHBondContact OH-OD1 2.63Å |
| 252 | S | 89.4 | Confident | 91 | Very high | 39 Ų | 39 | 25.8 Ų | 25.8 | 27% | 0.273 | 15% | 0.148 | S | C | . | . | trans | -138 | 178.3 | 177.2 | 71.4 | 0 | 0 | 0 | 0 | 110.8 | Q254 S255 | S252-Q254 PolarHBondContact O-N 3.25Å; S252-Q254 VanDerWaalsContact O-N 3.12Å; S252-Q254 WeakPolarHBondContact OG-CB 3.02Å; S252-Q254 PolarHBondContact OG-N 3.39Å; S252-S255 PolarHBondContact N-OG 2.75Å; S252-S255 VanDerWaalsContact O-CB 3.32Å; S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 2.99Å | ||
| 253 | I | 93 | Very high | 91.3 | Very high | 28 Ų | 28 | 25.8 Ų | 25.8 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.4 | -25.9 | 173.4 | -166.3 | 62.7 | 0 | 0 | 0 | 111.9 | L188 K192 L198 S255 D256 I257 V386 | L188-I253 HydrophobicContact CB-CD1 4.3Å; K192-I253 HydrophobicContact CB-CD1 4.14Å; L198-I253 HydrophobicContact CD2-CB 3.9Å; L198-I253 HydrophobicContact CD2-CD1 4.17Å; I253-S255 PolarHBondContact O-N 3.49Å; I253-D256 HydrophobicContact CD1-CB 4.29Å; I253-D256 WeakPolarHBondContact O-CB 3.39Å; I253-D256 PolarHBondContact O-N 3.3Å; I253-D256 VanDerWaalsContact O-N 3.15Å; I253-I257 PolarHBondContact O-N 2.73Å; I253-I257 VanDerWaalsContact O-N 3.1Å; I253-V386 HydrophobicContact CD1-CG2 4.41Å; I253-V386 HydrophobicContact CG1-CG2 3.84Å |
| 254 | Q | 96 | Very high | 91.6 | Very high | 24 Ų | 24 | 25.3 Ų | 25.3 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -33.1 | 175.7 | -56.7 | -62.4 | 94.4 | 0 | 0 | 111.4 | S252 D256 I257 W258 P380 R383 | S252-Q254 PolarHBondContact O-N 3.25Å; S252-Q254 VanDerWaalsContact O-N 3.12Å; S252-Q254 WeakPolarHBondContact OG-CB 3.02Å; S252-Q254 PolarHBondContact OG-N 3.39Å; Q254-D256 VanDerWaalsContact C-N 3.34Å; Q254-I257 WeakPolarHBondContact O-CB 3.39Å; Q254-I257 PolarHBondContact O-N 3.44Å; Q254-W258 PolarHBondContact O-N 3.33Å; Q254-W258 VanDerWaalsContact O-N 3.08Å; Q254-P380 HydrophobicContact CB-CB 4.14Å; Q254-P380 PolarHBondContact NE2-O 3.29Å; Q254-R383 PolarHBondContact NE2-O 2.8Å; Q254-R383 WeakPolarHBondContact O-CD 3.45Å; Q254-R383 PolarHBondContact O-NH1 3.32Å |
| 255 | S | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.9 | -32.6 | 177.8 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | E244 S252 I253 W258 S259 | E244-S255 WeakPolarHBondContact OE1-CA 3.16Å; E244-S255 WeakPolarHBondContact OE1-CB 3.46Å; E244-S255 PolarHBondContact OE1-OG 3.09Å; S252-S255 PolarHBondContact N-OG 2.75Å; S252-S255 VanDerWaalsContact O-CB 3.32Å; S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 2.99Å; I253-S255 PolarHBondContact O-N 3.49Å; S255-W258 PolarHBondContact O-N 2.87Å; S255-S259 PolarHBondContact O-N 2.9Å; S255-S259 PolarHBondContact O-OG 3.17Å |
| 256 | D | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 170.8 | -67.3 | -32.3 | 0 | 0 | 0 | 111.2 | L188 H199 R200 V202 Y251 I253 Q254 W258 S259 F260 | L188-D256 HydrophobicContact CD1-CB 4.2Å; L188-D256 HydrophobicContact CD2-CB 4.04Å; H199-D256 PolarHBondContact N-OD2 3.35Å; R200-D256 PolarHBondContact N-OD1 3.15Å; V202-D256 HydrophobicContact CG2-CB 4.03Å; Y251-D256 WeakPolarHBondContact CE1-OD1 3.35Å; Y251-D256 PolarHBondContact OH-N 3.02Å; Y251-D256 PolarHBondContact OH-OD1 2.63Å; I253-D256 HydrophobicContact CD1-CB 4.29Å; I253-D256 WeakPolarHBondContact O-CB 3.39Å; I253-D256 PolarHBondContact O-N 3.3Å; I253-D256 VanDerWaalsContact O-N 3.15Å; Q254-D256 VanDerWaalsContact C-N 3.34Å; D256-W258 PolarHBondContact O-N 3.33Å; D256-S259 PolarHBondContact O-N 2.74Å; D256-F260 WeakPolarHBondContact O-CB 3.17Å; D256-F260 PolarHBondContact O-N 2.59Å |
| 257 | I | 98 | Very high | 93 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 175.2 | -66.8 | -54.1 | 0 | 0 | 0 | 112.3 | L185 L188 I253 Q254 F260 G261 C375 R383 V386 L389 | L185-I257 HydrophobicContact CD2-CD1 3.96Å; L188-I257 HydrophobicContact CD1-CD1 4.15Å; I253-I257 PolarHBondContact O-N 2.73Å; I253-I257 VanDerWaalsContact O-N 3.1Å; Q254-I257 WeakPolarHBondContact O-CB 3.39Å; Q254-I257 PolarHBondContact O-N 3.44Å; I257-F260 PolarHBondContact O-N 3.25Å; I257-G261 PolarHBondContact O-N 2.94Å; I257-C375 HydrophobicContact CG2-CB 3.92Å; I257-R383 HydrophobicContact CG2-CG 4.02Å; I257-V386 HydrophobicContact CD1-CG2 3.75Å; I257-V386 HydrophobicContact CG1-CG2 4.34Å; I257-L389 HydrophobicContact CD1-CD1 3.67Å; I257-L389 HydrophobicContact CG1-CD1 4.2Å; I257-L389 HydrophobicContact CG2-CD1 3.72Å |
| 258 | W | 97.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 174.9 | 170.4 | -80 | 0 | 0 | 0 | 111.4 | M241 A242 P243 Q254 S255 D256 F260 G261 L262 I351 P356 C375 L376 K378 | M241-W258 PolarHBondContact O-NE1 3.07Å; A242-W258 HydrophobicContact CB-CB 3.7Å; A242-W258 HydrophobicContact CB-CD2 4.3Å; A242-W258 HydrophobicContact CB-CG 3.64Å; P243-W258 HydrophobicContact CG-CD2 4.47Å; P243-W258 HydrophobicContact CG-CE3 4.28Å; P243-W258 HydrophobicContact CG-CH2 3.6Å; P243-W258 HydrophobicContact CG-CZ2 3.83Å; P243-W258 HydrophobicContact CG-CZ3 3.84Å; Q254-W258 PolarHBondContact O-N 3.33Å; Q254-W258 VanDerWaalsContact O-N 3.08Å; S255-W258 PolarHBondContact O-N 2.87Å; D256-W258 PolarHBondContact O-N 3.33Å; W258-F260 PolarHBondContact O-N 3.19Å; W258-G261 PolarHBondContact O-N 3.41Å; W258-L262 HydrophobicContact CZ2-CD1 4.48Å; W258-L262 PolarHBondContact O-N 2.91Å; W258-I351 HydrophobicContact CZ2-CG2 4Å; W258-P356 HydrophobicContact CH2-CB 3.96Å; W258-P356 HydrophobicContact CZ3-CB 4.27Å; W258-C375 WeakPolarHBondContact CA-O 3.25Å; W258-L376 HydrophobicContact CD2-CD2 3.95Å; W258-L376 HydrophobicContact CE3-CD2 4.08Å; W258-L376 HydrophobicContact CG-CD2 4.39Å; W258-L376 HydrophobicContact CZ2-CD2 4.47Å; W258-L376 HydrophobicContact CZ3-CB 4.43Å; W258-L376 HydrophobicContact CZ3-CD2 4.42Å; W258-L376 WeakPolarHBondContact CZ3-O 3.33Å; W258-K378 HydrophobicContact CH2-CG 4.09Å; W258-K378 HydrophobicContact CZ3-CG 3.95Å |
| 259 | S | 96.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.3 | -38.6 | -179.2 | -49.8 | 0 | 0 | 0 | 0 | 110.6 | V202 Y240 S255 D256 S263 | V202-S259 VanDerWaalsContact O-CB 3.25Å; V202-S259 WeakPolarHBondContact O-CB 3.19Å; Y240-S259 WeakPolarHBondContact O-CA 3.38Å; Y240-S259 WeakPolarHBondContact O-CB 3.41Å; Y240-S259 PolarHBondContact O-OG 2.64Å; S255-S259 PolarHBondContact O-N 2.9Å; S255-S259 PolarHBondContact O-OG 3.17Å; D256-S259 PolarHBondContact O-N 2.74Å; S259-S263 PolarHBondContact O-N 3.35Å; S259-S263 VanDerWaalsContact O-N 3.09Å; S259-S263 PolarHBondContact O-OG 3.37Å |
| 260 | F | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 173.2 | -178.5 | -126.2 | 0 | 0 | 0 | 113.2 | S181 V184 L185 V202 D256 I257 W258 L262 S263 L264 F371 | S181-F260 WeakPolarHBondContact OG-CZ 3.35Å; V184-F260 HydrophobicContact CB-CD2 4.06Å; V184-F260 HydrophobicContact CB-CE2 3.73Å; V184-F260 HydrophobicContact CB-CZ 4.02Å; V184-F260 HydrophobicContact CG1-CD1 4.28Å; V184-F260 HydrophobicContact CG1-CD2 3.5Å; V184-F260 HydrophobicContact CG1-CE1 4.45Å; V184-F260 HydrophobicContact CG1-CE2 3.73Å; V184-F260 HydrophobicContact CG1-CG 3.83Å; V184-F260 HydrophobicContact CG1-CZ 4.23Å; V184-F260 HydrophobicContact CG2-CD2 4.27Å; V184-F260 HydrophobicContact CG2-CE2 3.83Å; V184-F260 HydrophobicContact CG2-CZ 4.47Å; L185-F260 HydrophobicContact CD2-CE1 4.49Å; L185-F260 HydrophobicContact CG-CE1 4.42Å; V202-F260 HydrophobicContact CG1-CB 4.03Å; V202-F260 HydrophobicContact CG1-CD2 4.36Å; D256-F260 WeakPolarHBondContact O-CB 3.17Å; D256-F260 PolarHBondContact O-N 2.59Å; I257-F260 PolarHBondContact O-N 3.25Å; W258-F260 PolarHBondContact O-N 3.19Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.3Å; F260-S263 WeakPolarHBondContact O-CB 3.45Å; F260-S263 PolarHBondContact O-N 3.3Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CD2-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.65Å; F260-L264 HydrophobicContact CE1-CG 4.24Å; F260-L264 HydrophobicContact CE2-CD1 4.1Å; F260-L264 HydrophobicContact CE2-CD2 3.92Å; F260-L264 HydrophobicContact CE2-CG 3.76Å; F260-L264 HydrophobicContact CZ-CD1 3.48Å; F260-L264 VanDerWaalsContact CZ-CD1 3.48Å; F260-L264 HydrophobicContact CZ-CD2 3.79Å; F260-L264 HydrophobicContact CZ-CG 3.64Å; F260-L264 PolarHBondContact O-N 3.2Å; F260-F371 HydrophobicContact CE1-CE1 4.07Å; F260-F371 HydrophobicContact CE1-CZ 4.2Å |
| 261 | G | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I257 W258 S263 L264 I265 | I257-G261 PolarHBondContact O-N 2.94Å; W258-G261 PolarHBondContact O-N 3.41Å; G261-S263 VanDerWaalsContact C-N 3.34Å; G261-S263 PolarHBondContact O-N 3.49Å; G261-L264 PolarHBondContact O-N 2.81Å; G261-I265 PolarHBondContact O-N 3.39Å |
| 262 | L | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 175.3 | -77.7 | -179.9 | 0 | 0 | 0 | 111.6 | Y240 W258 F260 L264 I265 E266 P273 I274 P357 L376 | Y240-L262 HydrophobicContact CD1-CB 4.19Å; W258-L262 HydrophobicContact CZ2-CD1 4.48Å; W258-L262 PolarHBondContact O-N 2.91Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.3Å; L262-L264 VanDerWaalsContact C-N 3.29Å; L262-L264 PolarHBondContact O-N 3Å; L262-I265 PolarHBondContact O-N 3.26Å; L262-E266 PolarHBondContact O-N 3.41Å; L262-P273 HydrophobicContact CD2-CG 3.97Å; L262-I274 HydrophobicContact CD2-CD1 4.06Å; L262-I274 HydrophobicContact CD2-CG1 4.49Å; L262-P357 HydrophobicContact CD2-CG 3.85Å; L262-L376 HydrophobicContact CD2-CD1 4.49Å; L262-L376 HydrophobicContact CD2-CD2 3.99Å; L262-L376 HydrophobicContact CG-CD2 3.8Å |
| 263 | S | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | K203 S259 F260 G261 E266 L267 | K203-S263 WeakPolarHBondContact CA-OG 3.34Å; S259-S263 PolarHBondContact O-N 3.35Å; S259-S263 VanDerWaalsContact O-N 3.09Å; S259-S263 PolarHBondContact O-OG 3.37Å; F260-S263 WeakPolarHBondContact O-CB 3.45Å; F260-S263 PolarHBondContact O-N 3.3Å; G261-S263 VanDerWaalsContact C-N 3.34Å; G261-S263 PolarHBondContact O-N 3.49Å; S263-E266 PolarHBondContact O-N 2.89Å; S263-L267 WeakPolarHBondContact O-CG 3.42Å; S263-L267 PolarHBondContact O-N 3.04Å |
| 264 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 178.5 | -75.6 | 176.7 | 0 | 0 | 0 | 112.8 | L177 F260 G261 L262 E266 L267 A268 F368 F371 V372 | L177-L264 HydrophobicContact CB-CD2 4.28Å; L177-L264 HydrophobicContact CD2-CD2 4.1Å; F260-L264 HydrophobicContact CD1-CD1 4.33Å; F260-L264 HydrophobicContact CD2-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.65Å; F260-L264 HydrophobicContact CE1-CG 4.24Å; F260-L264 HydrophobicContact CE2-CD1 4.1Å; F260-L264 HydrophobicContact CE2-CD2 3.92Å; F260-L264 HydrophobicContact CE2-CG 3.76Å; F260-L264 HydrophobicContact CZ-CD1 3.48Å; F260-L264 VanDerWaalsContact CZ-CD1 3.48Å; F260-L264 HydrophobicContact CZ-CD2 3.79Å; F260-L264 HydrophobicContact CZ-CG 3.64Å; F260-L264 PolarHBondContact O-N 3.2Å; G261-L264 PolarHBondContact O-N 2.81Å; L262-L264 VanDerWaalsContact C-N 3.29Å; L262-L264 PolarHBondContact O-N 3Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-L267 PolarHBondContact O-N 3.44Å; L264-A268 VanDerWaalsContact O-CB 3.25Å; L264-A268 WeakPolarHBondContact O-CB 3.42Å; L264-A268 PolarHBondContact O-N 3.32Å; L264-F368 HydrophobicContact CB-CE2 4.48Å; L264-F368 HydrophobicContact CB-CZ 4.32Å; L264-F368 HydrophobicContact CD1-CE2 4.45Å; L264-F371 HydrophobicContact CD1-CD1 3.98Å; L264-F371 HydrophobicContact CD1-CE1 3.53Å; L264-V372 HydrophobicContact CB-CG1 4.04Å; L264-V372 HydrophobicContact CD1-CG1 4.14Å |
| 265 | I | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.015 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.2 | -62.4 | -175.7 | 0 | 0 | 0 | 109.7 | G261 L262 L267 A268 I269 P273 P357 L359 V372 L376 | G261-I265 PolarHBondContact O-N 3.39Å; L262-I265 PolarHBondContact O-N 3.26Å; I265-L267 PolarHBondContact O-N 2.93Å; I265-A268 WeakPolarHBondContact O-CB 3.31Å; I265-A268 PolarHBondContact O-N 3.12Å; I265-I269 HydrophobicContact CG2-CD1 4.23Å; I265-I269 HydrophobicContact CG2-CG2 4.21Å; I265-I269 WeakPolarHBondContact O-CG1 3.45Å; I265-I269 WeakPolarHBondContact O-CG2 3.34Å; I265-I269 PolarHBondContact O-N 3.34Å; I265-P273 HydrophobicContact CB-CB 4.19Å; I265-P273 HydrophobicContact CB-CG 4.27Å; I265-P273 HydrophobicContact CG2-CB 3.52Å; I265-P273 HydrophobicContact CG2-CG 4.15Å; I265-P357 HydrophobicContact CD1-CB 3.96Å; I265-L359 HydrophobicContact CG1-CD1 4.45Å; I265-L359 HydrophobicContact CG1-CG 4.42Å; I265-L359 HydrophobicContact CG2-CD2 4.07Å; I265-L359 HydrophobicContact CG2-CG 4.43Å; I265-V372 HydrophobicContact CD1-CB 4.47Å; I265-V372 HydrophobicContact CD1-CG2 4.34Å; I265-V372 HydrophobicContact CG1-CB 4.27Å; I265-V372 HydrophobicContact CG1-CG1 4.39Å; I265-V372 HydrophobicContact CG1-CG2 4.33Å; I265-L376 HydrophobicContact CD1-CD1 3.36Å; I265-L376 HydrophobicContact CG1-CD1 4.31Å |
| 266 | E | 97 | Very high | 95.7 | Very high | 21 Ų | 21 | 13.9 Ų | 13.9 | 10% | 0.098 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.9 | -49.7 | 176.8 | 176.3 | 175.6 | -166.9 | 0 | 0 | 112.5 | L166 P204 Y240 L262 S263 L264 A268 I269 G270 K271 | L166-E266 HydrophobicContact CD2-CG 3.96Å; P204-E266 WeakPolarHBondContact CG-OE2 3.24Å; Y240-E266 VanDerWaalsContact CE1-OE2 3.25Å; Y240-E266 WeakPolarHBondContact CE1-OE2 3.25Å; Y240-E266 PolarHBondContact OH-OE1 3.49Å; Y240-E266 PolarHBondContact OH-OE2 3.2Å; L262-E266 PolarHBondContact O-N 3.41Å; S263-E266 PolarHBondContact O-N 2.89Å; L264-E266 VanDerWaalsContact C-N 3.34Å; E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 2.87Å; E266-I269 PolarHBondContact O-N 3.23Å; E266-G270 WeakPolarHBondContact O-CA 3.45Å; E266-G270 PolarHBondContact O-N 3.01Å; E266-K271 WeakPolarHBondContact CA-O 3.42Å; E266-K271 PolarHBondContact O-N 3.3Å |
| 267 | L | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -34.6 | 179.2 | -66.3 | 169.7 | 0 | 0 | 0 | 111.9 | L162 L166 F172 L177 P204 S263 L264 I265 | L162-L267 HydrophobicContact CB-CD2 4.11Å; L162-L267 HydrophobicContact CD1-CD1 3.85Å; L166-L267 HydrophobicContact CB-CD2 4.24Å; L166-L267 HydrophobicContact CD1-CD2 4.07Å; L166-L267 HydrophobicContact CD2-CD2 4.24Å; L166-L267 HydrophobicContact CG-CD2 4.42Å; F172-L267 HydrophobicContact CB-CB 4.4Å; F172-L267 HydrophobicContact CD1-CD2 4.48Å; F172-L267 HydrophobicContact CD2-CB 4.19Å; F172-L267 HydrophobicContact CD2-CD1 4.42Å; F172-L267 HydrophobicContact CD2-CD2 4.18Å; F172-L267 HydrophobicContact CE1-CD2 4.16Å; F172-L267 HydrophobicContact CE2-CD1 4.34Å; F172-L267 HydrophobicContact CE2-CD2 3.81Å; F172-L267 HydrophobicContact CE2-CG 4.5Å; F172-L267 HydrophobicContact CG-CB 4.22Å; F172-L267 HydrophobicContact CG-CD2 4.5Å; F172-L267 HydrophobicContact CZ-CD2 3.79Å; F172-L267 PolarHBondContact N-O 2.75Å; L177-L267 HydrophobicContact CD2-CB 3.58Å; L177-L267 HydrophobicContact CD2-CD1 4.13Å; P204-L267 HydrophobicContact CB-CD2 4.18Å; P204-L267 HydrophobicContact CG-CD2 4.28Å; P204-L267 HydrophobicContact CG-CG 4.25Å; S263-L267 WeakPolarHBondContact O-CG 3.42Å; S263-L267 PolarHBondContact O-N 3.04Å; L264-L267 PolarHBondContact O-N 3.44Å; I265-L267 PolarHBondContact O-N 2.93Å |
| 268 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R171 L177 L264 I265 E266 M364 F368 | R171-A268 WeakPolarHBondContact CD-O 3.39Å; L177-A268 HydrophobicContact CD1-CB 3.74Å; L264-A268 VanDerWaalsContact O-CB 3.25Å; L264-A268 WeakPolarHBondContact O-CB 3.42Å; L264-A268 PolarHBondContact O-N 3.32Å; I265-A268 WeakPolarHBondContact O-CB 3.31Å; I265-A268 PolarHBondContact O-N 3.12Å; E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 2.87Å; A268-M364 HydrophobicContact CB-CE 3.62Å; A268-F368 HydrophobicContact CB-CE1 4.16Å; A268-F368 HydrophobicContact CB-CZ 4.27Å |
| 269 | I | 95.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -95.7 | -16.3 | -174.7 | 75.6 | 178.2 | 0 | 0 | 0 | 113.2 | R171 I265 E266 K271 P273 P277 F282 I285 F286 L359 | R171-I269 WeakPolarHBondContact CD-O 3.19Å; I265-I269 HydrophobicContact CG2-CD1 4.23Å; I265-I269 HydrophobicContact CG2-CG2 4.21Å; I265-I269 WeakPolarHBondContact O-CG1 3.45Å; I265-I269 WeakPolarHBondContact O-CG2 3.34Å; I265-I269 PolarHBondContact O-N 3.34Å; E266-I269 PolarHBondContact O-N 3.23Å; I269-K271 HydrophobicContact CD1-CG 3.85Å; I269-K271 VanDerWaalsContact CD1-O 3.29Å; I269-K271 WeakPolarHBondContact CD1-O 3.39Å; I269-K271 HydrophobicContact CG1-CG 3.88Å; I269-K271 WeakPolarHBondContact CG1-O 3.17Å; I269-P273 HydrophobicContact CD1-CB 3.99Å; I269-P277 HydrophobicContact CD1-CG 3.94Å; I269-F282 HydrophobicContact CG2-CE1 4.15Å; I269-I285 HydrophobicContact CB-CG2 4.47Å; I269-I285 WeakPolarHBondContact O-CG2 3.33Å; I269-F286 HydrophobicContact CG2-CE2 4.15Å; I269-F286 HydrophobicContact CG2-CZ 4.26Å; I269-L359 HydrophobicContact CG2-CD2 3.67Å |
| 270 | G | 94.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 25.5 Ų | 25.5 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 8.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G170 E266 | G170-G270 WeakPolarHBondContact O-CA 3.48Å; E266-G270 WeakPolarHBondContact O-CA 3.45Å; E266-G270 PolarHBondContact O-N 3.01Å |
| 271 | K | 93.5 | Very high | 93.9 | Very high | 63 Ų | 63 | 27.7 Ų | 27.7 | 27% | 0.274 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -156.2 | 157.9 | -179.8 | 64.4 | 168.5 | -165.5 | 156.5 | 0 | 110.5 | E266 I269 E281 I285 | E266-K271 WeakPolarHBondContact CA-O 3.42Å; E266-K271 PolarHBondContact O-N 3.3Å; I269-K271 HydrophobicContact CD1-CG 3.85Å; I269-K271 VanDerWaalsContact CD1-O 3.29Å; I269-K271 WeakPolarHBondContact CD1-O 3.39Å; I269-K271 HydrophobicContact CG1-CG 3.88Å; I269-K271 WeakPolarHBondContact CG1-O 3.17Å; K271-E281 WeakPolarHBondContact CE-OE1 3.49Å; K271-E281 IonicContact NZ-OE1 3.7Å; K271-E281 PolarHBondContact NZ-OE1 3.08Å; K271-E281 IonicContact NZ-OE2 3.99Å; K271-E281 PolarHBondContact NZ-OE2 3.15Å; K271-I285 HydrophobicContact CD-CD1 4.48Å |
| 272 | Y | 93.3 | Very high | 93.6 | Very high | 50 Ų | 50 | 28 Ų | 28 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | trans | -58.5 | 132.4 | 176.9 | -174.9 | -105.4 | 0 | 0 | 0 | 111.3 | S239 Y240 I274 L347 | S239-Y272 VanDerWaalsContact C-OH 3.31Å; S239-Y272 WeakPolarHBondContact CB-OH 3.2Å; S239-Y272 PolarHBondContact O-OH 2.9Å; Y240-Y272 HydrophobicContact CD1-CE2 4.28Å; Y240-Y272 HydrophobicContact CE1-CD2 4.09Å; Y240-Y272 AromaticContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE1-CE2 3.88Å; Y240-Y272 HydrophobicContact CE2-CE2 4.44Å; Y240-Y272 AromaticContact CZ-CD2 3.97Å; Y240-Y272 AromaticContact CZ-CE2 3.95Å; Y272-I274 VanDerWaalsContact C-N 3.35Å; Y272-I274 HydrophobicContact CD1-CB 4.37Å; Y272-I274 WeakPolarHBondContact CD1-O 3.4Å; Y272-I274 HydrophobicContact CE1-CB 3.68Å; Y272-I274 HydrophobicContact CE1-CG1 4.35Å; Y272-I274 WeakPolarHBondContact CE1-O 3.5Å; Y272-I274 PolarHBondContact O-N 3.29Å; Y272-L347 HydrophobicContact CE1-CD1 3.82Å; Y272-L347 HydrophobicContact CE1-CD2 4.13Å | ||
| 273 | P | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -88.2 | 7.8 | -163.8 | 35.4 | -39.4 | 0 | 0 | 0 | 115.2 | L262 I265 I269 P275 V276 P357 | L262-P273 HydrophobicContact CD2-CG 3.97Å; I265-P273 HydrophobicContact CB-CB 4.19Å; I265-P273 HydrophobicContact CB-CG 4.27Å; I265-P273 HydrophobicContact CG2-CB 3.52Å; I265-P273 HydrophobicContact CG2-CG 4.15Å; I269-P273 HydrophobicContact CD1-CB 3.99Å; P273-P275 CarbonylContact C-O 3.6Å; P273-P275 CarbonylContact O-C 3.29Å; P273-P275 VanDerWaalsContact O-C 3.29Å; P273-V276 WeakPolarHBondContact O-CA 3.12Å; P273-V276 PolarHBondContact O-N 2.95Å; P273-P357 HydrophobicContact CB-CB 4.18Å; P273-P357 HydrophobicContact CB-CG 4.32Å; P273-P357 HydrophobicContact CG-CG 4.41Å | ||
| 274 | I | 92.5 | Very high | 92.8 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -123.3 | 121.7 | 178.2 | -55 | 178 | 0 | 0 | 0 | 109.6 | L262 Y272 M342 L347 Y350 I351 P357 | L262-I274 HydrophobicContact CD2-CD1 4.06Å; L262-I274 HydrophobicContact CD2-CG1 4.49Å; Y272-I274 VanDerWaalsContact C-N 3.35Å; Y272-I274 HydrophobicContact CD1-CB 4.37Å; Y272-I274 WeakPolarHBondContact CD1-O 3.4Å; Y272-I274 HydrophobicContact CE1-CB 3.68Å; Y272-I274 HydrophobicContact CE1-CG1 4.35Å; Y272-I274 WeakPolarHBondContact CE1-O 3.5Å; Y272-I274 PolarHBondContact O-N 3.29Å; I274-M342 HydrophobicContact CG2-CE 4.05Å; I274-L347 HydrophobicContact CB-CD1 3.67Å; I274-L347 HydrophobicContact CG2-CD1 3.32Å; I274-Y350 HydrophobicContact CG2-CD1 3.36Å; I274-Y350 HydrophobicContact CG2-CD2 4.43Å; I274-Y350 HydrophobicContact CG2-CE1 3.84Å; I274-Y350 HydrophobicContact CG2-CG 3.73Å; I274-I351 HydrophobicContact CD1-CD1 4.27Å; I274-I351 HydrophobicContact CD1-CG1 3.55Å; I274-P357 HydrophobicContact CD1-CG 4.07Å; I274-P357 HydrophobicContact CG1-CG 3.63Å |
| 275 | P | 90.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | S | Bend | cis | -66.2 | 155.3 | 0.6 | 26.7 | -27.1 | 0 | 0 | 0 | 112 | P273 M342 Y350 | P273-P275 CarbonylContact C-O 3.6Å; P273-P275 CarbonylContact O-C 3.29Å; P273-P275 VanDerWaalsContact O-C 3.29Å; P275-M342 HydrophobicContact CB-CE 3.39Å; P275-M342 HydrophobicContact CG-CE 3.54Å; P275-Y350 HydrophobicContact CB-CE2 4.2Å |
| 276 | V | 91.3 | Very high | 91.9 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -61 | 129.7 | 178.8 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | P273 F282 Y350 P357 | P273-V276 WeakPolarHBondContact O-CA 3.12Å; P273-V276 PolarHBondContact O-N 2.95Å; V276-F282 HydrophobicContact CG1-CE2 4.24Å; V276-F282 HydrophobicContact CG1-CZ 4.35Å; V276-Y350 HydrophobicContact CG2-CE1 4.45Å; V276-P357 HydrophobicContact CG2-CB 3.96Å; V276-P357 HydrophobicContact CG2-CG 4.12Å |
| 277 | P | 91.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 144.1 | 174.7 | -21.4 | 31.7 | 0 | 0 | 0 | 111.1 | I269 E281 F282 | I269-P277 HydrophobicContact CD1-CG 3.94Å; P277-E281 HydrophobicContact CB-CB 4.08Å; P277-E281 HydrophobicContact CB-CG 4.19Å; P277-F282 HydrophobicContact CB-CD1 4.26Å; P277-F282 HydrophobicContact CB-CD2 4.03Å; P277-F282 HydrophobicContact CB-CE1 4.08Å; P277-F282 HydrophobicContact CB-CE2 3.86Å; P277-F282 HydrophobicContact CB-CG 4.24Å; P277-F282 HydrophobicContact CB-CZ 3.88Å; P277-F282 HydrophobicContact CG-CE1 3.96Å; P277-F282 HydrophobicContact CG-CE2 4.31Å; P277-F282 HydrophobicContact CG-CZ 3.84Å; P277-F282 WeakPolarHBondContact O-CD2 3.48Å; P277-F282 WeakPolarHBondContact O-CE2 3.41Å |
| 278 | D | 90 | Very high | 90.2 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 172.8 | 171.9 | 67.1 | 37.3 | 0 | 0 | 0 | 111.7 | T280 E281 F282 | D278-T280 PolarHBondContact O-N 3.28Å; D278-T280 WeakPolarHBondContact OD1-CA 3.31Å; D278-T280 WeakPolarHBondContact OD1-CB 3.22Å; D278-T280 PolarHBondContact OD1-N 3.16Å; D278-E281 PolarHBondContact O-N 2.9Å; D278-E281 VanDerWaalsContact O-N 3.15Å; D278-E281 PolarHBondContact OD1-N 3.23Å; D278-F282 VanDerWaalsContact O-CD2 3.29Å; D278-F282 WeakPolarHBondContact O-CD2 3.22Å; D278-F282 PolarHBondContact O-N 3.32Å |
| 279 | S | 85.6 | Confident | 88.5 | Confident | 49 Ų | 49 | 52 Ų | 52 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -33.2 | -179.1 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | A283 | S279-A283 VanDerWaalsContact O-CB 3.22Å; S279-A283 WeakPolarHBondContact O-CB 3.29Å; S279-A283 PolarHBondContact O-N 2.96Å |
| 280 | T | 88.6 | Confident | 86.9 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -71 | -39.1 | 178.5 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | D278 A283 R284 | D278-T280 PolarHBondContact O-N 3.28Å; D278-T280 WeakPolarHBondContact OD1-CA 3.31Å; D278-T280 WeakPolarHBondContact OD1-CB 3.22Å; D278-T280 PolarHBondContact OD1-N 3.16Å; T280-A283 WeakPolarHBondContact O-CB 3.34Å; T280-R284 WeakPolarHBondContact O-CB 3.14Å; T280-R284 PolarHBondContact O-N 2.8Å |
| 281 | E | 90.2 | Very high | 85.3 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.6 | -41.5 | 177.2 | -168.2 | 170.6 | -161 | 0 | 0 | 112.1 | K271 P277 D278 A283 R284 I285 | K271-E281 WeakPolarHBondContact CE-OE1 3.49Å; K271-E281 IonicContact NZ-OE1 3.7Å; K271-E281 PolarHBondContact NZ-OE1 3.08Å; K271-E281 IonicContact NZ-OE2 3.99Å; K271-E281 PolarHBondContact NZ-OE2 3.15Å; P277-E281 HydrophobicContact CB-CB 4.08Å; P277-E281 HydrophobicContact CB-CG 4.19Å; D278-E281 PolarHBondContact O-N 2.9Å; D278-E281 VanDerWaalsContact O-N 3.15Å; D278-E281 PolarHBondContact OD1-N 3.23Å; E281-A283 PolarHBondContact O-N 2.81Å; E281-R284 WeakPolarHBondContact O-CB 3.35Å; E281-R284 PolarHBondContact O-N 2.72Å; E281-R284 IonicContact OE1-NH2 2.85Å; E281-I285 HydrophobicContact CG-CD1 3.92Å; E281-I285 HydrophobicContact CG-CG1 4.35Å; E281-I285 WeakPolarHBondContact O-CB 3.46Å; E281-I285 WeakPolarHBondContact O-CG1 3.47Å; E281-I285 PolarHBondContact O-N 2.87Å |
| 282 | F | 91 | Very high | 83.9 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 171.9 | -80.4 | -58.8 | 0 | 0 | 0 | 112.1 | I269 V276 P277 D278 R284 I285 F286 L293 L359 P360 L363 | I269-F282 HydrophobicContact CG2-CE1 4.15Å; V276-F282 HydrophobicContact CG1-CE2 4.24Å; V276-F282 HydrophobicContact CG1-CZ 4.35Å; P277-F282 HydrophobicContact CB-CD1 4.26Å; P277-F282 HydrophobicContact CB-CD2 4.03Å; P277-F282 HydrophobicContact CB-CE1 4.08Å; P277-F282 HydrophobicContact CB-CE2 3.86Å; P277-F282 HydrophobicContact CB-CG 4.24Å; P277-F282 HydrophobicContact CB-CZ 3.88Å; P277-F282 HydrophobicContact CG-CE1 3.96Å; P277-F282 HydrophobicContact CG-CE2 4.31Å; P277-F282 HydrophobicContact CG-CZ 3.84Å; P277-F282 WeakPolarHBondContact O-CD2 3.48Å; P277-F282 WeakPolarHBondContact O-CE2 3.41Å; D278-F282 VanDerWaalsContact O-CD2 3.29Å; D278-F282 WeakPolarHBondContact O-CD2 3.22Å; D278-F282 PolarHBondContact O-N 3.32Å; F282-R284 VanDerWaalsContact C-N 3.29Å; F282-R284 PolarHBondContact O-N 3.36Å; F282-I285 PolarHBondContact O-N 3.21Å; F282-F286 HydrophobicContact CD1-CE2 4.22Å; F282-F286 WeakPolarHBondContact O-CD2 3.48Å; F282-F286 PolarHBondContact O-N 3.36Å; F282-L293 HydrophobicContact CB-CD1 4.31Å; F282-L359 HydrophobicContact CE1-CD2 4.23Å; F282-P360 HydrophobicContact CB-CG 4.29Å; F282-P360 HydrophobicContact CD1-CG 4.21Å; F282-P360 HydrophobicContact CD2-CG 3.38Å; F282-P360 HydrophobicContact CE1-CG 4.37Å; F282-P360 VanDerWaalsContact CE2-CD 3.49Å; F282-P360 HydrophobicContact CE2-CG 3.55Å; F282-P360 HydrophobicContact CG-CG 3.73Å; F282-P360 VanDerWaalsContact CZ-CD 3.5Å; F282-P360 HydrophobicContact CZ-CG 4.06Å; F282-L363 HydrophobicContact CB-CD1 4.12Å; F282-L363 HydrophobicContact CD1-CD1 3.73Å; F282-L363 HydrophobicContact CE1-CD1 4.37Å; F282-L363 HydrophobicContact CG-CD1 4.06Å |
| 283 | A | 87.9 | Confident | 82.3 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52.7 | -47.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S279 T280 E281 G287 K288 A290 L293 | S279-A283 VanDerWaalsContact O-CB 3.22Å; S279-A283 WeakPolarHBondContact O-CB 3.29Å; S279-A283 PolarHBondContact O-N 2.96Å; T280-A283 WeakPolarHBondContact O-CB 3.34Å; E281-A283 PolarHBondContact O-N 2.81Å; A283-G287 WeakPolarHBondContact O-CA 3.46Å; A283-G287 PolarHBondContact O-N 3.49Å; A283-K288 CarbonylContact C-O 3.58Å; A283-K288 VanDerWaalsContact CA-O 3.31Å; A283-K288 WeakPolarHBondContact CA-O 3.4Å; A283-K288 WeakPolarHBondContact CB-O 3.19Å; A283-K288 PolarHBondContact O-N 2.97Å; A283-A290 HydrophobicContact CB-CB 3.95Å; A283-L293 HydrophobicContact CB-CD1 3.83Å |
| 284 | R | 90.5 | Very high | 80.5 | Confident | 183 Ų | 183 | 63.9 Ų | 63.9 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 177.1 | -172 | -173.9 | 69.8 | 98.2 | -1.2 | 112.9 | T280 E281 F282 F286 | T280-R284 WeakPolarHBondContact O-CB 3.14Å; T280-R284 PolarHBondContact O-N 2.8Å; E281-R284 WeakPolarHBondContact O-CB 3.35Å; E281-R284 PolarHBondContact O-N 2.72Å; E281-R284 IonicContact OE1-NH2 2.85Å; F282-R284 VanDerWaalsContact C-N 3.29Å; F282-R284 PolarHBondContact O-N 3.36Å; R284-F286 VanDerWaalsContact C-N 3.33Å; R284-F286 PolarHBondContact O-N 3.16Å |
| 285 | I | 89.4 | Confident | 78.2 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | -177.7 | -71.9 | 168.8 | 0 | 0 | 0 | 111.2 | R171 I269 K271 E281 F282 | R171-I285 VanDerWaalsContact CZ-O 3.25Å; R171-I285 PolarHBondContact NE-O 3.21Å; R171-I285 PolarHBondContact NH2-O 3.03Å; R171-I285 VanDerWaalsContact NH2-O 3.14Å; I269-I285 HydrophobicContact CB-CG2 4.47Å; I269-I285 WeakPolarHBondContact O-CG2 3.33Å; K271-I285 HydrophobicContact CD-CD1 4.48Å; E281-I285 HydrophobicContact CG-CD1 3.92Å; E281-I285 HydrophobicContact CG-CG1 4.35Å; E281-I285 WeakPolarHBondContact O-CB 3.46Å; E281-I285 WeakPolarHBondContact O-CG1 3.47Å; E281-I285 PolarHBondContact O-N 2.87Å; F282-I285 PolarHBondContact O-N 3.21Å |
| 286 | F | 87.6 | Confident | 75.8 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -100.1 | -3.5 | -174.7 | -72.4 | -94.5 | 0 | 0 | 0 | 114.3 | R171 I269 F282 R284 K288 L363 M364 | R171-F286 VanDerWaalsContact NH1-CD1 3.33Å; R171-F286 VanDerWaalsContact NH1-CE1 3.33Å; I269-F286 HydrophobicContact CG2-CE2 4.15Å; I269-F286 HydrophobicContact CG2-CZ 4.26Å; F282-F286 HydrophobicContact CD1-CE2 4.22Å; F282-F286 WeakPolarHBondContact O-CD2 3.48Å; F282-F286 PolarHBondContact O-N 3.36Å; R284-F286 VanDerWaalsContact C-N 3.33Å; R284-F286 PolarHBondContact O-N 3.16Å; F286-K288 VanDerWaalsContact C-N 3.34Å; F286-K288 HydrophobicContact CB-CG 4.46Å; F286-L363 HydrophobicContact CB-CD2 3.58Å; F286-L363 HydrophobicContact CD1-CB 4.38Å; F286-L363 HydrophobicContact CD1-CD2 3.91Å; F286-L363 HydrophobicContact CD2-CD1 3.81Å; F286-L363 HydrophobicContact CD2-CD2 3.64Å; F286-L363 HydrophobicContact CD2-CG 4.24Å; F286-L363 HydrophobicContact CE1-CB 4.22Å; F286-L363 HydrophobicContact CE1-CD2 4.5Å; F286-L363 HydrophobicContact CE2-CB 4.5Å; F286-L363 HydrophobicContact CE2-CD1 3.75Å; F286-L363 HydrophobicContact CE2-CD2 4.28Å; F286-L363 HydrophobicContact CE2-CG 4.42Å; F286-L363 HydrophobicContact CG-CD1 4.42Å; F286-L363 HydrophobicContact CG-CD2 3.44Å; F286-L363 VanDerWaalsContact CG-CD2 3.44Å; F286-L363 HydrophobicContact CG-CG 4.37Å; F286-L363 HydrophobicContact CZ-CB 4.3Å; F286-L363 HydrophobicContact CZ-CD1 4.31Å; F286-M364 HydrophobicContact CE1-CE 3.71Å; F286-M364 HydrophobicContact CE1-SD 4.23Å; F286-M364 HydrophobicContact CZ-CE 4.01Å |
| 287 | G | 84 | Confident | 73.5 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 74% | 0.742 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 33.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A283 | A283-G287 WeakPolarHBondContact O-CA 3.46Å; A283-G287 PolarHBondContact O-N 3.49Å |
| 288 | K | 74.5 | Confident | 71.2 | Confident | 95 Ų | 95 | 79.5 Ų | 79.5 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | trans | -110.7 | 159.8 | 177.3 | -66.4 | -164.7 | 177.5 | -170.1 | 0 | 110.9 | A283 F286 L293 G362 L363 | A283-K288 CarbonylContact C-O 3.58Å; A283-K288 VanDerWaalsContact CA-O 3.31Å; A283-K288 WeakPolarHBondContact CA-O 3.4Å; A283-K288 WeakPolarHBondContact CB-O 3.19Å; A283-K288 PolarHBondContact O-N 2.97Å; F286-K288 VanDerWaalsContact C-N 3.34Å; F286-K288 HydrophobicContact CB-CG 4.46Å; K288-L293 HydrophobicContact CB-CD1 4.46Å; K288-G362 PolarHBondContact NZ-O 2.9Å; K288-L363 HydrophobicContact CD-CD2 4.16Å | ||
| 289 | N | 62.9 | Low | 68.7 | Low | 115 Ų | 115 | 82.2 Ų | 82.2 | 62% | 0.615 | 44% | 0.441 | S | S | * | . | trans | -74.6 | 141.2 | 170.9 | -72.4 | -37 | 0 | 0 | 0 | 110.6 | D291 D292 | N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 2.66Å; N289-D292 WeakPolarHBondContact O-CB 3.4Å; N289-D292 PolarHBondContact O-N 2.65Å; N289-D292 VanDerWaalsContact O-N 3.16Å | ||
| 290 | A | 62.3 | Low | 66.2 | Low | 36 Ų | 36 | 89.2 Ų | 89.2 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -33.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A283 D292 L293 | A283-A290 HydrophobicContact CB-CB 3.95Å; A290-D292 VanDerWaalsContact C-N 3.25Å; A290-D292 PolarHBondContact O-N 3.35Å; A290-L293 PolarHBondContact O-N 3.33Å |
| 291 | D | 61.6 | Low | 63.5 | Low | 115 Ų | 115 | 89.3 Ų | 89.3 | 62% | 0.615 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.6 | -22.6 | 177.7 | -71.2 | -49.2 | 0 | 0 | 0 | 112.9 | N289 K299 | N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 2.66Å; D291-K299 IonicContact OD1-NZ 3.84Å; D291-K299 PolarHBondContact OD1-NZ 3.21Å |
| 292 | D | 64.1 | Low | 60.9 | Low | 120 Ų | 120 | 93.5 Ų | 93.5 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -78.8 | -21.2 | 178.1 | -63.9 | -25.6 | 0 | 0 | 0 | 112.5 | N289 A290 | N289-D292 WeakPolarHBondContact O-CB 3.4Å; N289-D292 PolarHBondContact O-N 2.65Å; N289-D292 VanDerWaalsContact O-N 3.16Å; A290-D292 VanDerWaalsContact C-N 3.25Å; A290-D292 PolarHBondContact O-N 3.35Å |
| 293 | L | 59.3 | Low | 57.9 | Low | 11 Ų | 11 | 97.8 Ų | 97.8 | 6% | 0.058 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -81.1 | -33.1 | -174.6 | -84.1 | 153.2 | 0 | 0 | 0 | 113.4 | F282 A283 K288 A290 P360 L363 | F282-L293 HydrophobicContact CB-CD1 4.31Å; A283-L293 HydrophobicContact CB-CD1 3.83Å; K288-L293 HydrophobicContact CB-CD1 4.46Å; A290-L293 PolarHBondContact O-N 3.33Å; L293-P360 HydrophobicContact CD2-CB 3.69Å; L293-P360 HydrophobicContact CD2-CG 4.38Å; L293-L363 HydrophobicContact CD2-CD1 3.87Å; L293-L363 HydrophobicContact CD2-CD2 3.43Å; L293-L363 VanDerWaalsContact CD2-CD2 3.43Å; L293-L363 HydrophobicContact CD2-CG 3.45Å; L293-L363 VanDerWaalsContact CD2-CG 3.45Å |
| 294 | Y | 54.4 | Low | 55.1 | Low | 113 Ų | 113 | 102.3 Ų | 102.3 | 44% | 0.443 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -135.9 | 79.9 | 177.2 | -71.1 | -85 | 0 | 0 | 0 | 107.7 | S296 P360 | Y294-S296 PolarHBondContact O-N 2.75Å; Y294-P360 HydrophobicContact CE2-CB 3.88Å; Y294-P360 HydrophobicContact CE2-CG 3.91Å |
| 295 | G | 45.3 | Very low | 52.1 | Low | 49 Ų | 49 | 105.6 Ų | 105.6 | 51% | 0.505 | 57% | 0.567 | S | S | . | * | trans | -58.1 | 111.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E297 | G295-E297 PolarHBondContact O-N 3.34Š| ||
| 296 | S | 39.8 | Very low | 49.2 | Very low | 83 Ų | 83 | 111.7 Ų | 111.7 | 58% | 0.58 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 38.7 | -0.8 | 162.4 | 69 | 0 | 0 | 0 | 0 | 122.3 | Y294 | Y294-S296 PolarHBondContact O-N 2.75Š|
| 297 | E | 43.6 | Very low | 46.6 | Very low | 167 Ų | 167 | 117.8 Ų | 117.8 | 78% | 0.78 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -79.9 | -32.2 | -175 | -73.3 | -171.4 | 155 | 0 | 0 | 112.2 | G295 K299 R300 | G295-E297 PolarHBondContact O-N 3.34Å; E297-K299 VanDerWaalsContact C-N 3.33Å; E297-K299 PolarHBondContact O-N 3.26Å; E297-R300 PolarHBondContact O-N 3.3Å |
| 298 | E | 42.9 | Very low | 43.9 | Very low | 154 Ų | 154 | 118.2 Ų | 118.2 | 72% | 0.72 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -73.6 | -21.7 | 173.6 | -87 | -174.5 | 156.1 | 0 | 0 | 113.7 | R300 S301 | E298-R300 VanDerWaalsContact C-N 3.29Å; E298-R300 PolarHBondContact O-N 3.45Å; E298-S301 PolarHBondContact O-OG 3.45Å |
| 299 | K | 37.2 | Very low | 42 | Very low | 154 Ų | 154 | 118.7 Ų | 118.7 | 67% | 0.67 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -78.2 | -11.4 | 175.5 | -74.8 | 177.4 | -179.5 | 162.9 | 0 | 112.9 | D291 E297 | D291-K299 IonicContact OD1-NZ 3.84Å; D291-K299 PolarHBondContact OD1-NZ 3.21Å; E297-K299 VanDerWaalsContact C-N 3.33Å; E297-K299 PolarHBondContact O-N 3.26Å |
| 300 | R | 32 | Very low | 40.5 | Very low | 196 Ų | 196 | 118.5 Ų | 118.5 | 74% | 0.74 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -92.3 | -10.8 | 179.6 | -82.3 | -177.1 | 175.6 | 172.9 | 0.5 | 115 | E297 E298 | E297-R300 PolarHBondContact O-N 3.3Å; E298-R300 VanDerWaalsContact C-N 3.29Å; E298-R300 PolarHBondContact O-N 3.45Å |
| 301 | S | 33.5 | Very low | 38.9 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -87.7 | -2.7 | -179.7 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | E298 | E298-S301 PolarHBondContact O-OG 3.45Š|
| 302 | V | 35.2 | Very low | 37.6 | Very low | 135 Ų | 135 | 127 Ų | 127 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -112.4 | -3.5 | -178.3 | -171.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 303 | S | 28.8 | Very low | 35.8 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -131.1 | 56.6 | -179.6 | 71.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 304 | S | 28.3 | Very low | 34.6 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -164.4 | 63.9 | 169 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 305 | R | 27.2 | Very low | 33.4 | Very low | 252 Ų | 252 | 129.3 Ų | 129.3 | 95% | 0.951 | 77% | 0.767 | S | S | * | * | trans | -145.3 | 75.6 | 157.4 | -76.5 | -166.2 | 172.9 | 163.3 | -2.2 | 109.4 | ||||
| 306 | N | 29.4 | Very low | 32.7 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -133.1 | 102.9 | 156.2 | -146.8 | 32.3 | 0 | 0 | 0 | 105.2 | ||||
| 307 | D | 32 | Very low | 32.4 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 165.9 | 119.1 | 142.9 | -79.5 | -20.8 | 0 | 0 | 0 | 111.1 | ||||
| 308 | G | 28.6 | Very low | 31.6 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 78.9 | 97 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 309 | A | 33.4 | Very low | 31.2 | Very low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -165.9 | 126.8 | 130.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 310 | S | 32 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -71.8 | 142.9 | -178.8 | -28.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 311 | S | 28.1 | Very low | 30.5 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 42.5 | 113.2 | 138.3 | -42.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 312 | K | 35 | Very low | 30.5 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | -171.9 | 133 | 119.3 | -99.8 | 167.3 | -169.2 | -174.8 | 0 | 112.1 | |||||
| 313 | S | 26.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -96.6 | 140.2 | -176.6 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 314 | A | 34.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | 176.6 | 115.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 315 | G | 27.5 | Very low | 30.4 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | cis | 107.9 | 107.1 | 49.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 316 | L | 31.8 | Very low | 30.7 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | trans | 174.4 | 132.3 | 139.7 | -89.9 | 160.7 | 0 | 0 | 0 | 112.9 | ||||
| 317 | S | 32.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | 57.6 | 96.7 | 161.8 | 68.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 318 | A | 27.4 | Very low | 30.6 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 126.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 319 | Q | 33.5 | Very low | 30.5 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 124.2 | 151.8 | -82.2 | -178.6 | -18.3 | 0 | 0 | 107.7 | ||
| 320 | S | 27.6 | Very low | 30.3 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 159.2 | -178.6 | 40 | 0 | 0 | 0 | 0 | 111.4 | ||
| 321 | W | 26.4 | Very low | 30 | Very low | 236 Ų | 236 | 139.2 Ų | 139.2 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | 154.8 | 146.3 | 131.9 | -87.5 | 57.7 | 0 | 0 | 0 | 110.3 | ||||
| 322 | P | 35 | Very low | 30.2 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 63% | 0.63 | 83% | 0.826 | S | S | * | * | -133.6 | 174.5 | -95.8 | 31.9 | -11.2 | 0 | 0 | 0 | 116.1 | |||||
| 323 | N | 33.1 | Very low | 29.9 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | 66.8 | 114.5 | 151.1 | -70.8 | -13.2 | 0 | 0 | 0 | 121.2 | ||||
| 324 | R | 26.3 | Very low | 29.9 | Very low | 239 Ų | 239 | 133.8 Ų | 133.8 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -64.9 | 147.7 | 147.8 | -71.7 | -179.3 | -165.6 | -125.9 | -0.3 | 110.5 | ||||
| 325 | L | 30.5 | Very low | 29.7 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | -148.9 | 142.6 | 123.6 | -99.4 | 154 | 0 | 0 | 0 | 108.3 | |||||
| 326 | P | 33 | Very low | 29.7 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -91.6 | 140.9 | -169.3 | 35.5 | -28.9 | 0 | 0 | 0 | 111.1 | ||||
| 327 | S | 30.4 | Very low | 29.7 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -144.5 | 121.7 | 165.8 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 328 | A | 28.1 | Very low | 29.7 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 50.1 | 119.2 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 329 | G | 27.8 | Very low | 30.6 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 82.8 | 77.9 | 130.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 330 | Q | 28 | Very low | 31.7 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -161.1 | 103 | 146.9 | -108.7 | 160.5 | 71.3 | 0 | 0 | 108.5 | P332 | Q330-P332 VanDerWaalsContact O-CD 3.31Å; Q330-P332 WeakPolarHBondContact O-CD 3.42Å | ||
| 331 | S | 27.4 | Very low | 33.6 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -63.2 | 118.8 | 157.2 | -55.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 332 | P | 32 | Very low | 36.1 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -85 | 128 | 168.6 | 12.6 | 5.3 | 0 | 0 | 0 | 108.9 | Q330 | Q330-P332 VanDerWaalsContact O-CD 3.31Å; Q330-P332 WeakPolarHBondContact O-CD 3.42Å | ||
| 333 | A | 27.2 | Very low | 38.6 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -38.1 | 159.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 334 | P | 26.9 | Very low | 41 | Very low | 121 Ų | 121 | 118 Ų | 118 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -59.2 | 145.3 | -177.5 | 26.7 | -35.7 | 0 | 0 | 0 | 111.3 | N336 | P334-N336 VanDerWaalsContact C-N 3.29Å; P334-N336 PolarHBondContact O-N 3.44Å | ||
| 335 | A | 30.8 | Very low | 43.8 | Very low | 100 Ų | 100 | 112.1 Ų | 112.1 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | trans | -56.4 | 89.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S337 | A335-S337 PolarHBondContact O-N 3.2Š| ||
| 336 | N | 27.7 | Very low | 46.6 | Very low | 155 Ų | 155 | 109.2 Ų | 109.2 | 83% | 0.829 | 69% | 0.69 | S | S | * | * | trans | -81.7 | 76.6 | 171.5 | -158.7 | 20.2 | 0 | 0 | 0 | 107.6 | P334 G338 | P334-N336 VanDerWaalsContact C-N 3.29Å; P334-N336 PolarHBondContact O-N 3.44Å; N336-G338 PolarHBondContact O-N 3.36Å | ||
| 337 | S | 32.3 | Very low | 49.3 | Very low | 114 Ų | 114 | 104.4 Ų | 104.4 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | trans | -80.7 | 65.1 | 173.2 | 58.7 | 0 | 0 | 0 | 0 | 110 | A335 | A335-S337 PolarHBondContact O-N 3.2Š| ||
| 338 | G | 33.5 | Very low | 52.1 | Low | 41 Ų | 41 | 99.7 Ų | 99.7 | 42% | 0.423 | 62% | 0.624 | S | S | . | * | trans | -71.6 | 150.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | N336 K340 | N336-G338 PolarHBondContact O-N 3.36Å; G338-K340 PolarHBondContact O-N 3.01Å | ||
| 339 | P | 45.9 | Very low | 55.1 | Low | 126 Ų | 126 | 96.8 Ų | 96.8 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | trans | -60.2 | 111.3 | 178.7 | 24.6 | -30.8 | 0 | 0 | 0 | 108.4 | T341 | P339-T341 PolarHBondContact O-N 3.22Š| ||
| 340 | K | 55.3 | Low | 58.2 | Low | 192 Ų | 192 | 96.1 Ų | 96.1 | 84% | 0.835 | 57% | 0.572 | S | S | * | * | trans | -62.6 | 106.9 | 175 | -87.6 | -179.9 | 174.8 | 178.1 | 0 | 107.9 | G338 M342 | G338-K340 PolarHBondContact O-N 3.01Å; K340-M342 PolarHBondContact O-N 2.98Å; K340-M342 VanDerWaalsContact O-N 3.12Å | ||
| 341 | T | 68.5 | Low | 61.2 | Low | 140 Ų | 140 | 87.2 Ų | 87.2 | 86% | 0.859 | 53% | 0.53 | S | S | * | . | trans | -62.8 | 109.6 | 165.2 | 38.5 | 0 | 0 | 0 | 0 | 108.4 | P339 | P339-T341 PolarHBondContact O-N 3.22Š| ||
| 342 | M | 78 | Confident | 64.3 | Low | 56 Ų | 56 | 82.5 Ų | 82.5 | 28% | 0.276 | 50% | 0.496 | S | S | . | . | trans | -62.5 | 139.9 | 174.7 | -102.5 | -168.6 | -78.3 | 0 | 0 | 110.6 | I274 P275 K340 E346 Y350 | I274-M342 HydrophobicContact CG2-CE 4.05Å; P275-M342 HydrophobicContact CB-CE 3.39Å; P275-M342 HydrophobicContact CG-CE 3.54Å; K340-M342 PolarHBondContact O-N 2.98Å; K340-M342 VanDerWaalsContact O-N 3.12Å; M342-E346 HydrophobicContact CB-CB 4.31Å; M342-E346 HydrophobicContact CG-CB 3.91Å; M342-E346 HydrophobicContact SD-CB 3.92Å; M342-Y350 HydrophobicContact CE-CD2 3.84Å; M342-Y350 HydrophobicContact CE-CE2 4.38Å; M342-Y350 HydrophobicContact CE-CG 4.27Å; M342-Y350 HydrophobicContact SD-CD2 4.15Å | ||
| 343 | A | 87.2 | Confident | 67.2 | Low | 53 Ų | 53 | 81.1 Ų | 81.1 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | trans | -67.8 | 155.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F345 E346 L347 | A343-F345 VanDerWaalsContact C-N 3.29Å; A343-F345 PolarHBondContact O-N 3.43Å; A343-E346 HydrophobicContact CB-CG 4.2Å; A343-E346 PolarHBondContact N-OE2 2.88Å; A343-E346 WeakPolarHBondContact O-CB 3.47Å; A343-E346 PolarHBondContact O-N 3.08Å; A343-L347 PolarHBondContact O-N 3.39Å | ||
| 344 | I | 84.5 | Confident | 70.4 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 25% | 0.246 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -55.8 | -42.2 | -176.5 | -175.9 | 68.1 | 0 | 0 | 0 | 112.9 | V235 E346 L347 L348 | V235-I344 HydrophobicContact CG1-CB 3.99Å; V235-I344 HydrophobicContact CG1-CD1 3.99Å; V235-I344 HydrophobicContact CG1-CG1 3.49Å; V235-I344 VanDerWaalsContact CG1-CG1 3.49Å; V235-I344 HydrophobicContact CG1-CG2 4.02Å; I344-E346 VanDerWaalsContact C-N 3.29Å; I344-E346 PolarHBondContact O-N 2.98Å; I344-L347 HydrophobicContact CD1-CD2 4.27Å; I344-L347 WeakPolarHBondContact O-CB 3.48Å; I344-L347 PolarHBondContact O-N 3.45Å; I344-L348 HydrophobicContact CD1-CD2 4.35Å; I344-L348 HydrophobicContact CD1-CG 4.26Å; I344-L348 HydrophobicContact CG1-CD1 4.21Å; I344-L348 HydrophobicContact CG1-CG 4.21Å; I344-L348 VanDerWaalsContact O-CG 3.3Å; I344-L348 WeakPolarHBondContact O-CG 3.14Å; I344-L348 PolarHBondContact O-N 3Å |
| 345 | F | 85.3 | Confident | 73.5 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 50% | 0.504 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.3 | -32.8 | -179.5 | -68.9 | -71 | 0 | 0 | 0 | 112.3 | L15 A343 D349 | L15-F345 HydrophobicContact CD1-CE1 4.25Å; A343-F345 VanDerWaalsContact C-N 3.29Å; A343-F345 PolarHBondContact O-N 3.43Å; F345-D349 VanDerWaalsContact O-CB 3.27Å; F345-D349 WeakPolarHBondContact O-CB 3.46Å; F345-D349 PolarHBondContact O-N 3.01Å |
| 346 | E | 90.1 | Very high | 76.6 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 173.7 | -59.1 | 174.5 | 148.2 | 0 | 0 | 110.3 | M342 A343 I344 D349 Y350 | M342-E346 HydrophobicContact CB-CB 4.31Å; M342-E346 HydrophobicContact CG-CB 3.91Å; M342-E346 HydrophobicContact SD-CB 3.92Å; A343-E346 HydrophobicContact CB-CG 4.2Å; A343-E346 PolarHBondContact N-OE2 2.88Å; A343-E346 WeakPolarHBondContact O-CB 3.47Å; A343-E346 PolarHBondContact O-N 3.08Å; I344-E346 VanDerWaalsContact C-N 3.29Å; I344-E346 PolarHBondContact O-N 2.98Å; E346-D349 PolarHBondContact O-N 3.31Å; E346-Y350 WeakPolarHBondContact O-CB 3.47Å; E346-Y350 PolarHBondContact O-N 2.79Å |
| 347 | L | 89.7 | Confident | 79.7 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.9 | 174.1 | 61.1 | 0 | 0 | 0 | 111.9 | S239 Y272 I274 A343 I344 Y350 I351 | S239-L347 WeakPolarHBondContact OG-CD2 3.33Å; Y272-L347 HydrophobicContact CE1-CD1 3.82Å; Y272-L347 HydrophobicContact CE1-CD2 4.13Å; I274-L347 HydrophobicContact CB-CD1 3.67Å; I274-L347 HydrophobicContact CG2-CD1 3.32Å; A343-L347 PolarHBondContact O-N 3.39Å; I344-L347 HydrophobicContact CD1-CD2 4.27Å; I344-L347 WeakPolarHBondContact O-CB 3.48Å; I344-L347 PolarHBondContact O-N 3.45Å; L347-Y350 WeakPolarHBondContact O-CB 3.21Å; L347-Y350 PolarHBondContact O-N 3.13Å; L347-I351 HydrophobicContact CD1-CD1 4.25Å; L347-I351 HydrophobicContact CG-CD1 4.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.96Å |
| 348 | L | 89 | Confident | 82.5 | Confident | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 177.7 | -61.7 | -177 | 0 | 0 | 0 | 111.5 | L15 R238 L246 I344 Y350 I351 V352 | L15-L348 HydrophobicContact CD2-CD1 4.09Å; R238-L348 HydrophobicContact CB-CD2 3.98Å; L246-L348 HydrophobicContact CD1-CB 4.37Å; L246-L348 HydrophobicContact CD1-CD2 3.9Å; L246-L348 HydrophobicContact CD2-CD1 4.5Å; L246-L348 HydrophobicContact CD2-CD2 3.82Å; I344-L348 HydrophobicContact CD1-CD2 4.35Å; I344-L348 HydrophobicContact CD1-CG 4.26Å; I344-L348 HydrophobicContact CG1-CD1 4.21Å; I344-L348 HydrophobicContact CG1-CG 4.21Å; I344-L348 VanDerWaalsContact O-CG 3.3Å; I344-L348 WeakPolarHBondContact O-CG 3.14Å; I344-L348 PolarHBondContact O-N 3Å; L348-Y350 VanDerWaalsContact C-N 3.31Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 3.36Å; L348-V352 WeakPolarHBondContact O-CG2 3.01Å; L348-V352 PolarHBondContact O-N 3.2Å; L348-V352 VanDerWaalsContact O-N 3.13Å |
| 349 | D | 90.2 | Very high | 85.2 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 173.7 | -163.3 | 48.3 | 0 | 0 | 0 | 110.7 | K11 F345 E346 V352 N353 | K11-D349 IonicContact NZ-OD1 3.77Å; K11-D349 IonicContact NZ-OD2 2.77Å; K11-D349 PolarHBondContact NZ-OD2 2.98Å; F345-D349 VanDerWaalsContact O-CB 3.27Å; F345-D349 WeakPolarHBondContact O-CB 3.46Å; F345-D349 PolarHBondContact O-N 3.01Å; E346-D349 PolarHBondContact O-N 3.31Å; D349-V352 PolarHBondContact O-N 3.48Å; D349-N353 WeakPolarHBondContact O-CB 3.02Å; D349-N353 PolarHBondContact O-N 3.48Å; D349-N353 PolarHBondContact O-ND2 2.98Å; D349-N353 PolarHBondContact OD1-ND2 3.37Å |
| 350 | Y | 92.4 | Very high | 87.2 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 176.4 | -165.1 | -70.5 | 0 | 0 | 0 | 111.1 | I274 P275 V276 M342 E346 L347 L348 V352 N353 E354 | I274-Y350 HydrophobicContact CG2-CD1 3.36Å; I274-Y350 HydrophobicContact CG2-CD2 4.43Å; I274-Y350 HydrophobicContact CG2-CE1 3.84Å; I274-Y350 HydrophobicContact CG2-CG 3.73Å; P275-Y350 HydrophobicContact CB-CE2 4.2Å; V276-Y350 HydrophobicContact CG2-CE1 4.45Å; M342-Y350 HydrophobicContact CE-CD2 3.84Å; M342-Y350 HydrophobicContact CE-CE2 4.38Å; M342-Y350 HydrophobicContact CE-CG 4.27Å; M342-Y350 HydrophobicContact SD-CD2 4.15Å; E346-Y350 WeakPolarHBondContact O-CB 3.47Å; E346-Y350 PolarHBondContact O-N 2.79Å; L347-Y350 WeakPolarHBondContact O-CB 3.21Å; L347-Y350 PolarHBondContact O-N 3.13Å; L348-Y350 VanDerWaalsContact C-N 3.31Å; Y350-V352 PolarHBondContact O-N 3.19Å; Y350-N353 PolarHBondContact O-N 3.48Å; Y350-E354 HydrophobicContact CD1-CB 3.65Å; Y350-E354 HydrophobicContact CD1-CG 4.05Å; Y350-E354 HydrophobicContact CD2-CB 4.19Å; Y350-E354 HydrophobicContact CD2-CG 3.69Å; Y350-E354 HydrophobicContact CE1-CB 3.58Å; Y350-E354 HydrophobicContact CE1-CG 4.17Å; Y350-E354 HydrophobicContact CE2-CB 4.15Å; Y350-E354 HydrophobicContact CE2-CG 3.85Å; Y350-E354 HydrophobicContact CG-CB 3.95Å; Y350-E354 HydrophobicContact CG-CG 3.79Å; Y350-E354 WeakPolarHBondContact O-CA 3.4Å; Y350-E354 VanDerWaalsContact O-CB 3.28Å; Y350-E354 WeakPolarHBondContact O-CB 3.35Å; Y350-E354 PolarHBondContact O-N 3.43Å |
| 351 | I | 92.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.2 | -41.2 | 178.6 | -68.8 | 162.7 | 0 | 0 | 0 | 111.1 | S239 P243 L246 W258 I274 L347 L348 | S239-I351 WeakPolarHBondContact O-CD1 3.44Å; P243-I351 HydrophobicContact CB-CG2 4.5Å; P243-I351 HydrophobicContact CG-CG2 3.96Å; L246-I351 HydrophobicContact CD1-CB 3.96Å; L246-I351 HydrophobicContact CD1-CD1 4.31Å; L246-I351 HydrophobicContact CD1-CG2 3.66Å; W258-I351 HydrophobicContact CZ2-CG2 4Å; I274-I351 HydrophobicContact CD1-CD1 4.27Å; I274-I351 HydrophobicContact CD1-CG1 3.55Å; L347-I351 HydrophobicContact CD1-CD1 4.25Å; L347-I351 HydrophobicContact CG-CD1 4.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 2.96Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 3.36Å |
| 352 | V | 91.8 | Very high | 89.6 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.3 | -37.7 | -176.6 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | L246 T247 L348 D349 Y350 K378 | L246-V352 HydrophobicContact CB-CG2 3.65Å; L246-V352 HydrophobicContact CD1-CG2 3.91Å; L246-V352 HydrophobicContact CG-CG2 4.44Å; T247-V352 HydrophobicContact CG2-CG1 3.63Å; T247-V352 HydrophobicContact CG2-CG2 4.17Å; L348-V352 WeakPolarHBondContact O-CG2 3.01Å; L348-V352 PolarHBondContact O-N 3.2Å; L348-V352 VanDerWaalsContact O-N 3.13Å; D349-V352 PolarHBondContact O-N 3.48Å; Y350-V352 PolarHBondContact O-N 3.19Å; V352-K378 VanDerWaalsContact C-NZ 3.25Å; V352-K378 VanDerWaalsContact O-CE 3.29Å; V352-K378 WeakPolarHBondContact O-CE 3.35Å; V352-K378 PolarHBondContact O-NZ 3.33Å |
| 353 | N | 92.7 | Very high | 90.1 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 51% | 0.508 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -111.2 | -29.9 | -166.8 | -66.8 | -51.9 | 0 | 0 | 0 | 114.3 | D349 Y350 | D349-N353 WeakPolarHBondContact O-CB 3.02Å; D349-N353 PolarHBondContact O-N 3.48Å; D349-N353 PolarHBondContact O-ND2 2.98Å; D349-N353 PolarHBondContact OD1-ND2 3.37Å; Y350-N353 PolarHBondContact O-N 3.48Å |
| 354 | E | 93.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -86.8 | 161.7 | -179.5 | -61.7 | -60.1 | 150 | 0 | 0 | 112.2 | Y350 K378 | Y350-E354 HydrophobicContact CD1-CB 3.65Å; Y350-E354 HydrophobicContact CD1-CG 4.05Å; Y350-E354 HydrophobicContact CD2-CB 4.19Å; Y350-E354 HydrophobicContact CD2-CG 3.69Å; Y350-E354 HydrophobicContact CE1-CB 3.58Å; Y350-E354 HydrophobicContact CE1-CG 4.17Å; Y350-E354 HydrophobicContact CE2-CB 4.15Å; Y350-E354 HydrophobicContact CE2-CG 3.85Å; Y350-E354 HydrophobicContact CG-CB 3.95Å; Y350-E354 HydrophobicContact CG-CG 3.79Å; Y350-E354 WeakPolarHBondContact O-CA 3.4Å; Y350-E354 VanDerWaalsContact O-CB 3.28Å; Y350-E354 WeakPolarHBondContact O-CB 3.35Å; Y350-E354 PolarHBondContact O-N 3.43Å; E354-K378 PolarHBondContact O-NZ 3.37Å |
| 355 | P | 93.4 | Very high | 91 | Very high | 87 Ų | 87 | 49 Ų | 49 | 57% | 0.565 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 146.8 | 171.2 | -23.9 | 34.6 | 0 | 0 | 0 | 111.8 | ||
| 356 | P | 94.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 155.6 | 175.1 | 29.3 | -34.2 | 0 | 0 | 0 | 110.8 | W258 V358 L376 K378 | W258-P356 HydrophobicContact CH2-CB 3.96Å; W258-P356 HydrophobicContact CZ3-CB 4.27Å; P356-V358 PolarHBondContact O-N 2.9Å; P356-L376 HydrophobicContact CB-CB 4Å; P356-L376 VanDerWaalsContact CB-O 3.27Å; P356-L376 WeakPolarHBondContact CB-O 3.4Å; P356-L376 WeakPolarHBondContact CG-O 3.46Å; P356-K378 HydrophobicContact CG-CG 4.45Å |
| 357 | P | 93.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 133.8 | 173.5 | -23.7 | 34.6 | 0 | 0 | 0 | 112.1 | L262 I265 P273 I274 V276 L376 | L262-P357 HydrophobicContact CD2-CG 3.85Å; I265-P357 HydrophobicContact CD1-CB 3.96Å; P273-P357 HydrophobicContact CB-CB 4.18Å; P273-P357 HydrophobicContact CB-CG 4.32Å; P273-P357 HydrophobicContact CG-CG 4.41Å; I274-P357 HydrophobicContact CD1-CG 4.07Å; I274-P357 HydrophobicContact CG1-CG 3.63Å; V276-P357 HydrophobicContact CG2-CB 3.96Å; V276-P357 HydrophobicContact CG2-CG 4.12Å; P357-L376 WeakPolarHBondContact O-CD1 3.49Å |
| 358 | V | 91 | Very high | 92.3 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | trans | -125.1 | 139.3 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | P356 E373 | P356-V358 PolarHBondContact O-N 2.9Å; V358-E373 HydrophobicContact CG1-CG 4.43Å; V358-E373 WeakPolarHBondContact CG1-OE1 3.42Å | ||
| 359 | L | 90.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 128.9 | 172.4 | -72.5 | 170.9 | 0 | 0 | 0 | 109.6 | I265 I269 F282 M364 F368 T369 V372 | I265-L359 HydrophobicContact CG1-CD1 4.45Å; I265-L359 HydrophobicContact CG1-CG 4.42Å; I265-L359 HydrophobicContact CG2-CD2 4.07Å; I265-L359 HydrophobicContact CG2-CG 4.43Å; I269-L359 HydrophobicContact CG2-CD2 3.67Å; F282-L359 HydrophobicContact CE1-CD2 4.23Å; L359-M364 HydrophobicContact CD1-CG 4.27Å; L359-F368 HydrophobicContact CD1-CD1 3.9Å; L359-F368 HydrophobicContact CD1-CE1 3.45Å; L359-F368 VanDerWaalsContact CD1-CE1 3.45Å; L359-F368 HydrophobicContact CD1-CZ 4.5Å; L359-T369 HydrophobicContact CB-CG2 4.42Å; L359-V372 HydrophobicContact CD1-CG2 4.26Å |
| 360 | P | 88.7 | Confident | 93 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 141.4 | 171.8 | -24.7 | 27 | 0 | 0 | 0 | 112.4 | F282 L293 Y294 L363 | F282-P360 HydrophobicContact CB-CG 4.29Å; F282-P360 HydrophobicContact CD1-CG 4.21Å; F282-P360 HydrophobicContact CD2-CG 3.38Å; F282-P360 HydrophobicContact CE1-CG 4.37Å; F282-P360 VanDerWaalsContact CE2-CD 3.49Å; F282-P360 HydrophobicContact CE2-CG 3.55Å; F282-P360 HydrophobicContact CG-CG 3.73Å; F282-P360 VanDerWaalsContact CZ-CD 3.5Å; F282-P360 HydrophobicContact CZ-CG 4.06Å; L293-P360 HydrophobicContact CD2-CB 3.69Å; L293-P360 HydrophobicContact CD2-CG 4.38Å; Y294-P360 HydrophobicContact CE2-CB 3.88Å; Y294-P360 HydrophobicContact CE2-CG 3.91Å; P360-L363 HydrophobicContact CB-CD1 3.78Å; P360-L363 HydrophobicContact CB-CG 4.17Å; P360-L363 HydrophobicContact CG-CD1 3.67Å; P360-L363 WeakPolarHBondContact O-CB 3.5Å; P360-L363 PolarHBondContact O-N 3.05Å |
| 361 | K | 86.8 | Confident | 93.3 | Very high | 165 Ų | 165 | 44.5 Ų | 44.5 | 72% | 0.717 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 144.8 | 177.3 | -70.5 | -171.9 | 177.3 | -176.6 | 0 | 111 | L363 | K361-L363 VanDerWaalsContact C-N 3.25Å; K361-L363 PolarHBondContact O-N 3.19Å |
| 362 | G | 86.1 | Confident | 93.5 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -2.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K288 | K288-G362 PolarHBondContact NZ-O 2.9Š|
| 363 | L | 89.5 | Confident | 93.8 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -77.2 | -42.6 | 170.8 | -73 | -177.6 | 0 | 0 | 0 | 113 | F282 F286 K288 L293 P360 K361 | F282-L363 HydrophobicContact CB-CD1 4.12Å; F282-L363 HydrophobicContact CD1-CD1 3.73Å; F282-L363 HydrophobicContact CE1-CD1 4.37Å; F282-L363 HydrophobicContact CG-CD1 4.06Å; F286-L363 HydrophobicContact CB-CD2 3.58Å; F286-L363 HydrophobicContact CD1-CB 4.38Å; F286-L363 HydrophobicContact CD1-CD2 3.91Å; F286-L363 HydrophobicContact CD2-CD1 3.81Å; F286-L363 HydrophobicContact CD2-CD2 3.64Å; F286-L363 HydrophobicContact CD2-CG 4.24Å; F286-L363 HydrophobicContact CE1-CB 4.22Å; F286-L363 HydrophobicContact CE1-CD2 4.5Å; F286-L363 HydrophobicContact CE2-CB 4.5Å; F286-L363 HydrophobicContact CE2-CD1 3.75Å; F286-L363 HydrophobicContact CE2-CD2 4.28Å; F286-L363 HydrophobicContact CE2-CG 4.42Å; F286-L363 HydrophobicContact CG-CD1 4.42Å; F286-L363 HydrophobicContact CG-CD2 3.44Å; F286-L363 VanDerWaalsContact CG-CD2 3.44Å; F286-L363 HydrophobicContact CG-CG 4.37Å; F286-L363 HydrophobicContact CZ-CB 4.3Å; F286-L363 HydrophobicContact CZ-CD1 4.31Å; K288-L363 HydrophobicContact CD-CD2 4.16Å; L293-L363 HydrophobicContact CD2-CD1 3.87Å; L293-L363 HydrophobicContact CD2-CD2 3.43Å; L293-L363 VanDerWaalsContact CD2-CD2 3.43Å; L293-L363 HydrophobicContact CD2-CG 3.45Å; L293-L363 VanDerWaalsContact CD2-CG 3.45Å; P360-L363 HydrophobicContact CB-CD1 3.78Å; P360-L363 HydrophobicContact CB-CG 4.17Å; P360-L363 HydrophobicContact CG-CD1 3.67Å; P360-L363 WeakPolarHBondContact O-CB 3.5Å; P360-L363 PolarHBondContact O-N 3.05Å; K361-L363 VanDerWaalsContact C-N 3.25Å; K361-L363 PolarHBondContact O-N 3.19Å |
| 364 | M | 93.4 | Very high | 94 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -127.6 | 175.5 | 174.8 | -62.4 | -60.6 | -164.7 | 0 | 0 | 108.2 | E174 A268 F286 L359 F368 | E174-M364 HydrophobicContact CB-SD 4.19Å; E174-M364 WeakPolarHBondContact OE2-CB 3.32Å; A268-M364 HydrophobicContact CB-CE 3.62Å; F286-M364 HydrophobicContact CE1-CE 3.71Å; F286-M364 HydrophobicContact CE1-SD 4.23Å; F286-M364 HydrophobicContact CZ-CE 4.01Å; L359-M364 HydrophobicContact CD1-CG 4.27Å; M364-F368 HydrophobicContact CB-CB 4.38Å; M364-F368 HydrophobicContact CB-CD1 3.54Å; M364-F368 HydrophobicContact CB-CE1 4.3Å; M364-F368 HydrophobicContact CB-CG 4.36Å; M364-F368 HydrophobicContact CG-CD1 3.7Å; M364-F368 HydrophobicContact CG-CE1 3.95Å |
| 365 | S | 96.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | trans | -62.2 | 153.5 | 175.8 | 104.4 | 0 | 0 | 0 | 0 | 111.8 | E174 E367 F368 T369 R397 | E174-S365 WeakPolarHBondContact OE1-CB 3.43Å; E174-S365 PolarHBondContact OE1-OG 2.9Å; E174-S365 PolarHBondContact OE2-N 3.49Å; S365-E367 VanDerWaalsContact CB-OE2 3.24Å; S365-E367 WeakPolarHBondContact CB-OE2 3.18Å; S365-E367 PolarHBondContact O-N 3.08Å; S365-E367 PolarHBondContact OG-N 2.82Å; S365-E367 PolarHBondContact OG-OE2 2.7Å; S365-F368 PolarHBondContact O-N 2.81Å; S365-F368 PolarHBondContact OG-N 2.86Å; S365-T369 PolarHBondContact O-N 3.43Å; S365-T369 PolarHBondContact O-OG1 2.54Å; S365-R397 PolarHBondContact OG-NH1 2.89Å | ||
| 366 | D | 96.5 | Very high | 94.5 | Very high | 110 Ų | 110 | 35.7 Ų | 35.7 | 59% | 0.588 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -61.1 | -36.4 | 176.6 | -71 | -27 | 0 | 0 | 0 | 110.7 | T369 D370 | D366-T369 PolarHBondContact O-N 3.12Å; D366-D370 WeakPolarHBondContact O-CB 2.96Å; D366-D370 PolarHBondContact O-N 3Å |
| 367 | E | 97.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 39 Ų | 39 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 176.7 | -52.5 | 93.9 | 142.6 | 0 | 0 | 112.8 | S365 F371 H392 P393 R397 | S365-E367 VanDerWaalsContact CB-OE2 3.24Å; S365-E367 WeakPolarHBondContact CB-OE2 3.18Å; S365-E367 PolarHBondContact O-N 3.08Å; S365-E367 PolarHBondContact OG-N 2.82Å; S365-E367 PolarHBondContact OG-OE2 2.7Å; E367-F371 VanDerWaalsContact O-CB 3.25Å; E367-F371 WeakPolarHBondContact O-CB 3.32Å; E367-F371 PolarHBondContact O-N 3.3Å; E367-H392 PolarHBondContact O-CE1 2.6Å; E367-P393 HydrophobicContact CG-CB 4.3Å; E367-R397 IonicContact OE1-NH1 3.57Å; E367-R397 IonicContact OE2-NH1 2.65Å; E367-R397 PolarHBondContact OE2-NH1 3.2Å |
| 368 | F | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -44.4 | 174.9 | 178.1 | -109.7 | 0 | 0 | 0 | 111.3 | E174 L177 L264 A268 L359 M364 S365 D370 F371 V372 Y394 | E174-F368 HydrophobicContact CG-CB 4.03Å; E174-F368 HydrophobicContact CG-CD2 4.33Å; E174-F368 HydrophobicContact CG-CG 4.04Å; E174-F368 WeakPolarHBondContact OE1-CB 3.37Å; L177-F368 HydrophobicContact CB-CE2 4.27Å; L177-F368 HydrophobicContact CD1-CE1 4.34Å; L177-F368 HydrophobicContact CD1-CE2 4.05Å; L177-F368 HydrophobicContact CD1-CZ 3.64Å; L264-F368 HydrophobicContact CB-CE2 4.48Å; L264-F368 HydrophobicContact CB-CZ 4.32Å; L264-F368 HydrophobicContact CD1-CE2 4.45Å; A268-F368 HydrophobicContact CB-CE1 4.16Å; A268-F368 HydrophobicContact CB-CZ 4.27Å; L359-F368 HydrophobicContact CD1-CD1 3.9Å; L359-F368 HydrophobicContact CD1-CE1 3.45Å; L359-F368 VanDerWaalsContact CD1-CE1 3.45Å; L359-F368 HydrophobicContact CD1-CZ 4.5Å; M364-F368 HydrophobicContact CB-CB 4.38Å; M364-F368 HydrophobicContact CB-CD1 3.54Å; M364-F368 HydrophobicContact CB-CE1 4.3Å; M364-F368 HydrophobicContact CB-CG 4.36Å; M364-F368 HydrophobicContact CG-CD1 3.7Å; M364-F368 HydrophobicContact CG-CE1 3.95Å; S365-F368 PolarHBondContact O-N 2.81Å; S365-F368 PolarHBondContact OG-N 2.86Å; F368-D370 PolarHBondContact O-N 2.93Å; F368-F371 WeakPolarHBondContact O-CB 3.43Å; F368-F371 PolarHBondContact O-N 3.12Å; F368-V372 HydrophobicContact CD2-CG1 4.37Å; F368-V372 HydrophobicContact CE1-CG1 4.2Å; F368-V372 HydrophobicContact CE2-CG1 3.87Å; F368-V372 HydrophobicContact CZ-CG1 3.78Å; F368-V372 PolarHBondContact O-N 3.3Å; F368-Y394 HydrophobicContact CB-CD2 3.87Å; F368-Y394 HydrophobicContact CB-CE2 3.77Å; F368-Y394 HydrophobicContact CD2-CD1 4.45Å; F368-Y394 HydrophobicContact CD2-CD2 4.24Å; F368-Y394 AromaticContact CD2-CE1 3.86Å; F368-Y394 HydrophobicContact CD2-CE1 3.86Å; F368-Y394 AromaticContact CD2-CE2 3.61Å; F368-Y394 HydrophobicContact CD2-CE2 3.61Å; F368-Y394 AromaticContact CD2-CZ 3.38Å; F368-Y394 WeakPolarHBondContact CD2-OH 3.33Å; F368-Y394 HydrophobicContact CE2-CE1 4.4Å; F368-Y394 HydrophobicContact CG-CE2 4.12Å |
| 369 | T | 97.2 | Very high | 94.7 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 178.3 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | L359 S365 D366 F371 V372 E373 | L359-T369 HydrophobicContact CB-CG2 4.42Å; S365-T369 PolarHBondContact O-N 3.43Å; S365-T369 PolarHBondContact O-OG1 2.54Å; D366-T369 PolarHBondContact O-N 3.12Å; T369-F371 PolarHBondContact O-N 3.15Å; T369-V372 WeakPolarHBondContact O-CG2 2.99Å; T369-V372 PolarHBondContact O-N 3.1Å; T369-E373 WeakPolarHBondContact O-CB 3.39Å; T369-E373 WeakPolarHBondContact O-CG 3.47Å; T369-E373 PolarHBondContact O-N 3.33Å |
| 370 | D | 97.5 | Very high | 94.9 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 175.8 | 176.7 | 48.6 | 0 | 0 | 0 | 112.6 | D366 F368 E373 K374 H392 | D366-D370 WeakPolarHBondContact O-CB 2.96Å; D366-D370 PolarHBondContact O-N 3Å; F368-D370 PolarHBondContact O-N 2.93Å; D370-E373 PolarHBondContact O-N 2.77Å; D370-K374 WeakPolarHBondContact O-CG 3.2Å; D370-K374 PolarHBondContact O-N 3.27Å; D370-K374 IonicContact OD1-NZ 3.85Å; D370-K374 PolarHBondContact OD1-NZ 2.99Å; D370-K374 IonicContact OD2-NZ 2.68Å; D370-K374 PolarHBondContact OD2-NZ 2.8Å; D370-H392 IonicContact OD2-CE1 2.85Å; D370-H392 PolarHBondContact OD2-CE1 3.12Å; D370-H392 VanDerWaalsContact OD2-CE1 3.3Å; D370-H392 IonicContact OD2-NE2 2.72Å; D370-H392 PolarHBondContact OD2-NE2 3.36Å |
| 371 | F | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 174.8 | -179.8 | -92.8 | 0 | 0 | 0 | 111.8 | L185 F260 L264 E367 F368 T369 K374 C375 L389 H392 Y394 I395 | L185-F371 HydrophobicContact CD1-CE2 4.18Å; L185-F371 HydrophobicContact CD1-CZ 3.97Å; F260-F371 HydrophobicContact CE1-CE1 4.07Å; F260-F371 HydrophobicContact CE1-CZ 4.2Å; L264-F371 HydrophobicContact CD1-CD1 3.98Å; L264-F371 HydrophobicContact CD1-CE1 3.53Å; E367-F371 VanDerWaalsContact O-CB 3.25Å; E367-F371 WeakPolarHBondContact O-CB 3.32Å; E367-F371 PolarHBondContact O-N 3.3Å; F368-F371 WeakPolarHBondContact O-CB 3.43Å; F368-F371 PolarHBondContact O-N 3.12Å; T369-F371 PolarHBondContact O-N 3.15Å; F371-K374 PolarHBondContact O-N 3.49Å; F371-C375 PolarHBondContact O-N 3.15Å; F371-C375 PolarHBondContact O-SG 3.23Å; F371-C375 VanDerWaalsContact O-SG 3.37Å; F371-L389 HydrophobicContact CD2-CD2 3.86Å; F371-L389 HydrophobicContact CE2-CB 3.99Å; F371-L389 HydrophobicContact CE2-CD2 3.57Å; F371-L389 HydrophobicContact CE2-CG 4.32Å; F371-L389 HydrophobicContact CZ-CB 4.49Å; F371-L389 HydrophobicContact CZ-CD2 4.12Å; F371-H392 HydrophobicContact CD2-CB 3.85Å; F371-H392 AromaticContact CD2-CG 3.7Å; F371-H392 AromaticContact CD2-ND1 3.67Å; F371-H392 HydrophobicContact CE2-CB 4.26Å; F371-Y394 HydrophobicContact CB-CD1 4.03Å; F371-Y394 HydrophobicContact CB-CG 4.17Å; F371-Y394 AromaticContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CE1 4.27Å; F371-Y394 AromaticContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CE1-CD1 4.43Å; F371-Y394 HydrophobicContact CE2-CD1 4.4Å; F371-Y394 AromaticContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CE1 4.46Å; F371-Y394 HydrophobicContact CG-CG 4.32Å; F371-I395 HydrophobicContact CD2-CG1 4.19Å; F371-I395 HydrophobicContact CE2-CD1 3.89Å; F371-I395 HydrophobicContact CE2-CG1 3.57Å; F371-I395 HydrophobicContact CZ-CD1 4.04Å; F371-I395 HydrophobicContact CZ-CG1 4.22Å |
| 372 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 179.4 | -62 | 0 | 0 | 0 | 0 | 112 | L264 I265 L359 F368 T369 K374 C375 L376 | L264-V372 HydrophobicContact CB-CG1 4.04Å; L264-V372 HydrophobicContact CD1-CG1 4.14Å; I265-V372 HydrophobicContact CD1-CB 4.47Å; I265-V372 HydrophobicContact CD1-CG2 4.34Å; I265-V372 HydrophobicContact CG1-CB 4.27Å; I265-V372 HydrophobicContact CG1-CG1 4.39Å; I265-V372 HydrophobicContact CG1-CG2 4.33Å; L359-V372 HydrophobicContact CD1-CG2 4.26Å; F368-V372 HydrophobicContact CD2-CG1 4.37Å; F368-V372 HydrophobicContact CE1-CG1 4.2Å; F368-V372 HydrophobicContact CE2-CG1 3.87Å; F368-V372 HydrophobicContact CZ-CG1 3.78Å; F368-V372 PolarHBondContact O-N 3.3Å; T369-V372 WeakPolarHBondContact O-CG2 2.99Å; T369-V372 PolarHBondContact O-N 3.1Å; V372-K374 VanDerWaalsContact C-N 3.33Å; V372-K374 PolarHBondContact O-N 3.46Å; V372-C375 WeakPolarHBondContact O-CB 3.47Å; V372-C375 PolarHBondContact O-N 2.99Å; V372-C375 VanDerWaalsContact O-N 3.13Å; V372-L376 WeakPolarHBondContact O-CB 3.35Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3.27Å |
| 373 | E | 97.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 174.4 | -78.7 | -176.8 | -168.6 | 0 | 0 | 112.2 | V358 T369 D370 C375 L376 R377 | V358-E373 HydrophobicContact CG1-CG 4.43Å; V358-E373 WeakPolarHBondContact CG1-OE1 3.42Å; T369-E373 WeakPolarHBondContact O-CB 3.39Å; T369-E373 WeakPolarHBondContact O-CG 3.47Å; T369-E373 PolarHBondContact O-N 3.33Å; D370-E373 PolarHBondContact O-N 2.77Å; E373-C375 VanDerWaalsContact C-N 3.31Å; E373-C375 PolarHBondContact O-N 3.27Å; E373-L376 PolarHBondContact O-N 3.05Å; E373-R377 PolarHBondContact O-N 2.93Å |
| 374 | K | 98 | Very high | 96.5 | Very high | 58 Ų | 58 | 46 Ų | 46 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -33 | 174.4 | -78 | -170.4 | -177.4 | 78.6 | 0 | 112.9 | D370 F371 V372 R383 A384 L389 H392 | D370-K374 WeakPolarHBondContact O-CG 3.2Å; D370-K374 PolarHBondContact O-N 3.27Å; D370-K374 IonicContact OD1-NZ 3.85Å; D370-K374 PolarHBondContact OD1-NZ 2.99Å; D370-K374 IonicContact OD2-NZ 2.68Å; D370-K374 PolarHBondContact OD2-NZ 2.8Å; F371-K374 PolarHBondContact O-N 3.49Å; V372-K374 VanDerWaalsContact C-N 3.33Å; V372-K374 PolarHBondContact O-N 3.46Å; K374-R383 WeakPolarHBondContact O-CG 3.47Å; K374-A384 HydrophobicContact CB-CB 3.9Å; K374-A384 HydrophobicContact CD-CB 4.39Å; K374-A384 PolarHBondContact O-N 3.04Å; K374-A384 VanDerWaalsContact O-N 3.09Å; K374-L389 HydrophobicContact CB-CD2 4.45Å; K374-H392 PolarHBondContact NZ-NE2 2.84Å; K374-H392 VanDerWaalsContact NZ-NE2 3.12Å |
| 375 | C | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.3 | -31.5 | 173.2 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | I257 W258 F371 V372 E373 R383 | I257-C375 HydrophobicContact CG2-CB 3.92Å; W258-C375 WeakPolarHBondContact CA-O 3.25Å; F371-C375 PolarHBondContact O-N 3.15Å; F371-C375 PolarHBondContact O-SG 3.23Å; F371-C375 VanDerWaalsContact O-SG 3.37Å; V372-C375 WeakPolarHBondContact O-CB 3.47Å; V372-C375 PolarHBondContact O-N 2.99Å; V372-C375 VanDerWaalsContact O-N 3.13Å; E373-C375 VanDerWaalsContact C-N 3.31Å; E373-C375 PolarHBondContact O-N 3.27Å; C375-R383 WeakPolarHBondContact O-CD 3.37Å; C375-R383 VanDerWaalsContact O-CG 3.26Å; C375-R383 WeakPolarHBondContact O-CG 3.29Å |
| 376 | L | 97.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 19.4 | -172.7 | -65.3 | 176.9 | 0 | 0 | 0 | 114.4 | W258 L262 I265 P356 P357 V372 E373 K378 | W258-L376 HydrophobicContact CD2-CD2 3.95Å; W258-L376 HydrophobicContact CE3-CD2 4.08Å; W258-L376 HydrophobicContact CG-CD2 4.39Å; W258-L376 HydrophobicContact CZ2-CD2 4.47Å; W258-L376 HydrophobicContact CZ3-CB 4.43Å; W258-L376 HydrophobicContact CZ3-CD2 4.42Å; W258-L376 WeakPolarHBondContact CZ3-O 3.33Å; L262-L376 HydrophobicContact CD2-CD1 4.49Å; L262-L376 HydrophobicContact CD2-CD2 3.99Å; L262-L376 HydrophobicContact CG-CD2 3.8Å; I265-L376 HydrophobicContact CD1-CD1 3.36Å; I265-L376 HydrophobicContact CG1-CD1 4.31Å; P356-L376 HydrophobicContact CB-CB 4Å; P356-L376 VanDerWaalsContact CB-O 3.27Å; P356-L376 WeakPolarHBondContact CB-O 3.4Å; P356-L376 WeakPolarHBondContact CG-O 3.46Å; P357-L376 WeakPolarHBondContact O-CD1 3.49Å; V372-L376 WeakPolarHBondContact O-CB 3.35Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3.27Å; E373-L376 PolarHBondContact O-N 3.05Å; L376-K378 PolarHBondContact O-N 3.12Å |
| 377 | R | 96.8 | Very high | 96.6 | Very high | 108 Ų | 108 | 48.7 Ų | 48.7 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | trans | -61.9 | 125.9 | 167.6 | -62 | -68.8 | 173.1 | 178.6 | -7.7 | 109.3 | E373 E382 R383 | E373-R377 PolarHBondContact O-N 2.93Å; R377-E382 HydrophobicContact CB-CB 4.32Å; R377-R383 HydrophobicContact CB-CB 4.05Å; R377-R383 HydrophobicContact CB-CG 4.44Å; R377-R383 VanDerWaalsContact O-CZ 3.29Å; R377-R383 PolarHBondContact O-NE 3.32Å; R377-R383 PolarHBondContact O-NH2 3.37Å | ||
| 378 | K | 93.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 27% | 0.265 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -64.7 | -40.9 | -178.3 | -68 | -175.5 | 73.5 | 169.1 | 0 | 111.9 | P243 W258 V352 E354 P356 L376 P380 R383 | P243-K378 HydrophobicContact CG-CG 4.36Å; W258-K378 HydrophobicContact CH2-CG 4.09Å; W258-K378 HydrophobicContact CZ3-CG 3.95Å; V352-K378 VanDerWaalsContact C-NZ 3.25Å; V352-K378 VanDerWaalsContact O-CE 3.29Å; V352-K378 WeakPolarHBondContact O-CE 3.35Å; V352-K378 PolarHBondContact O-NZ 3.33Å; E354-K378 PolarHBondContact O-NZ 3.37Å; P356-K378 HydrophobicContact CG-CG 4.45Å; L376-K378 PolarHBondContact O-N 3.12Å; K378-P380 VanDerWaalsContact O-CD 3.32Å; K378-P380 WeakPolarHBondContact O-CD 3.44Å; K378-R383 PolarHBondContact O-NH2 2.88Å |
| 379 | S | 94 | Very high | 96.6 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -68.1 | 118.7 | 172 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | Q381 E382 R383 | S379-Q381 PolarHBondContact O-N 3.41Å; S379-Q381 PolarHBondContact OG-OE1 3.47Å; S379-E382 PolarHBondContact O-N 3.36Å; S379-R383 PolarHBondContact O-N 3.24Å |
| 380 | P | 94.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 16% | 0.156 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29.2 | 178.2 | -23.7 | 34.4 | 0 | 0 | 0 | 113.2 | E244 Q254 K378 | E244-P380 HydrophobicContact CB-CG 3.73Å; E244-P380 VanDerWaalsContact CD-CG 3.49Å; E244-P380 HydrophobicContact CG-CG 3.58Å; Q254-P380 HydrophobicContact CB-CB 4.14Å; Q254-P380 PolarHBondContact NE2-O 3.29Å; K378-P380 VanDerWaalsContact O-CD 3.32Å; K378-P380 WeakPolarHBondContact O-CD 3.44Å |
| 381 | Q | 93.9 | Very high | 96.6 | Very high | 161 Ų | 161 | 52.2 Ų | 52.2 | 75% | 0.752 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -31.4 | 179.8 | -64.3 | 77.8 | 10.1 | 0 | 0 | 112.4 | S379 | S379-Q381 PolarHBondContact O-N 3.41Å; S379-Q381 PolarHBondContact OG-OE1 3.47Å |
| 382 | E | 96.1 | Very high | 96.6 | Very high | 139 Ų | 139 | 52.6 Ų | 52.6 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -19.9 | 176.7 | -64.2 | 174 | -172.3 | 0 | 0 | 112.4 | R377 S379 | R377-E382 HydrophobicContact CB-CB 4.32Å; S379-E382 PolarHBondContact O-N 3.36Å |
| 383 | R | 97.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -64.2 | 136.3 | 177.1 | -163.3 | -179.9 | -60.4 | 146.6 | 6.7 | 110.1 | E244 Q254 I257 K374 C375 R377 K378 S379 N385 | E244-R383 IonicContact OE1-CZ 3.8Å; E244-R383 IonicContact OE1-NH1 2.72Å; E244-R383 PolarHBondContact OE1-NH1 2.98Å; E244-R383 IonicContact OE1-NH2 2.97Å; E244-R383 IonicContact OE2-CZ 2.75Å; E244-R383 IonicContact OE2-NH1 3.44Å; E244-R383 PolarHBondContact OE2-NH1 3.01Å; E244-R383 IonicContact OE2-NH2 3.92Å; E244-R383 PolarHBondContact OE2-NH2 3.28Å; Q254-R383 PolarHBondContact NE2-O 2.8Å; Q254-R383 WeakPolarHBondContact O-CD 3.45Å; Q254-R383 PolarHBondContact O-NH1 3.32Å; I257-R383 HydrophobicContact CG2-CG 4.02Å; K374-R383 WeakPolarHBondContact O-CG 3.47Å; C375-R383 WeakPolarHBondContact O-CD 3.37Å; C375-R383 VanDerWaalsContact O-CG 3.26Å; C375-R383 WeakPolarHBondContact O-CG 3.29Å; R377-R383 HydrophobicContact CB-CB 4.05Å; R377-R383 HydrophobicContact CB-CG 4.44Å; R377-R383 VanDerWaalsContact O-CZ 3.29Å; R377-R383 PolarHBondContact O-NE 3.32Å; R377-R383 PolarHBondContact O-NH2 3.37Å; K378-R383 PolarHBondContact O-NH2 2.88Å; S379-R383 PolarHBondContact O-N 3.24Å; R383-N385 PolarHBondContact O-N 3.4Å |
| 384 | A | 97 | Very high | 96.7 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K374 L389 | K374-A384 HydrophobicContact CB-CB 3.9Å; K374-A384 HydrophobicContact CD-CB 4.39Å; K374-A384 PolarHBondContact O-N 3.04Å; K374-A384 VanDerWaalsContact O-N 3.09Å; A384-L389 HydrophobicContact CB-CD1 4.26Å; A384-L389 HydrophobicContact CB-CD2 3.68Å; A384-L389 HydrophobicContact CB-CG 3.72Å |
| 385 | N | 95.7 | Very high | 96.7 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 165.7 | 173.2 | 66 | 57.9 | 0 | 0 | 0 | 110.9 | R383 K387 T388 L389 | R383-N385 PolarHBondContact O-N 3.4Å; N385-K387 VanDerWaalsContact C-N 3.27Å; N385-K387 PolarHBondContact O-N 3.01Å; N385-K387 WeakPolarHBondContact OD1-CB 3.27Å; N385-K387 PolarHBondContact OD1-N 3.26Å; N385-K387 VanDerWaalsContact OD1-N 3.08Å; N385-T388 PolarHBondContact ND2-OG1 2.91Å; N385-T388 PolarHBondContact O-N 3.31Å; N385-T388 VanDerWaalsContact O-N 3.16Å; N385-T388 PolarHBondContact OD1-N 3.21Å; N385-T388 PolarHBondContact OD1-OG1 3.09Å; N385-L389 WeakPolarHBondContact O-CG 3.29Å; N385-L389 PolarHBondContact O-N 3.04Å |
| 386 | V | 96.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.6 | -43.6 | -178.6 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | L185 L188 Q189 I253 I257 L389 L390 | L185-V386 HydrophobicContact CB-CG1 4.49Å; L185-V386 HydrophobicContact CD2-CG1 4.43Å; L185-V386 WeakPolarHBondContact O-CG1 3.28Å; L188-V386 HydrophobicContact CB-CG2 4.35Å; Q189-V386 HydrophobicContact CB-CG1 3.77Å; Q189-V386 HydrophobicContact CG-CG1 4.36Å; I253-V386 HydrophobicContact CD1-CG2 4.41Å; I253-V386 HydrophobicContact CG1-CG2 3.84Å; I257-V386 HydrophobicContact CD1-CG2 3.75Å; I257-V386 HydrophobicContact CG1-CG2 4.34Å; V386-L389 PolarHBondContact O-N 2.75Å; V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.33Å; V386-L390 WeakPolarHBondContact O-CB 3.18Å; V386-L390 WeakPolarHBondContact O-CG 3.15Å; V386-L390 PolarHBondContact O-N 3.44Å |
| 387 | K | 95.4 | Very high | 96.7 | Very high | 141 Ų | 141 | 56.9 Ų | 56.9 | 61% | 0.613 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | -178.5 | -173.6 | 177.1 | -178.7 | 177 | 0 | 111.8 | N385 H391 | N385-K387 VanDerWaalsContact C-N 3.27Å; N385-K387 PolarHBondContact O-N 3.01Å; N385-K387 WeakPolarHBondContact OD1-CB 3.27Å; N385-K387 PolarHBondContact OD1-N 3.26Å; N385-K387 VanDerWaalsContact OD1-N 3.08Å; K387-H391 PolarHBondContact O-ND1 3.29Å |
| 388 | T | 97.2 | Very high | 96.7 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 111 | N385 H391 H392 | N385-T388 PolarHBondContact ND2-OG1 2.91Å; N385-T388 PolarHBondContact O-N 3.31Å; N385-T388 VanDerWaalsContact O-N 3.16Å; N385-T388 PolarHBondContact OD1-N 3.21Å; N385-T388 PolarHBondContact OD1-OG1 3.09Å; T388-H391 PolarHBondContact O-N 2.65Å; T388-H392 PolarHBondContact O-N 2.8Å |
| 389 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 179.5 | -70.5 | 169.8 | 0 | 0 | 0 | 112.5 | L185 I257 F371 K374 A384 N385 V386 H391 H392 I395 | L185-L389 HydrophobicContact CD1-CB 3.78Å; L185-L389 HydrophobicContact CD2-CB 3.91Å; L185-L389 HydrophobicContact CD2-CD1 3.93Å; I257-L389 HydrophobicContact CD1-CD1 3.67Å; I257-L389 HydrophobicContact CG1-CD1 4.2Å; I257-L389 HydrophobicContact CG2-CD1 3.72Å; F371-L389 HydrophobicContact CD2-CD2 3.86Å; F371-L389 HydrophobicContact CE2-CB 3.99Å; F371-L389 HydrophobicContact CE2-CD2 3.57Å; F371-L389 HydrophobicContact CE2-CG 4.32Å; F371-L389 HydrophobicContact CZ-CB 4.49Å; F371-L389 HydrophobicContact CZ-CD2 4.12Å; K374-L389 HydrophobicContact CB-CD2 4.45Å; A384-L389 HydrophobicContact CB-CD1 4.26Å; A384-L389 HydrophobicContact CB-CD2 3.68Å; A384-L389 HydrophobicContact CB-CG 3.72Å; N385-L389 WeakPolarHBondContact O-CG 3.29Å; N385-L389 PolarHBondContact O-N 3.04Å; V386-L389 PolarHBondContact O-N 2.75Å; L389-H391 PolarHBondContact O-N 3.45Å; L389-H391 VanDerWaalsContact O-N 3.15Å; L389-H392 WeakPolarHBondContact O-CB 3.26Å; L389-H392 PolarHBondContact O-N 2.85Å; L389-I395 VanDerWaalsContact O-CG1 3.23Å; L389-I395 WeakPolarHBondContact O-CG1 3.33Å |
| 390 | L | 97.2 | Very high | 96.8 | Very high | 13 Ų | 13 | 59 Ų | 59 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -18.5 | 177.5 | -80.6 | 170.4 | 0 | 0 | 0 | 114.4 | L185 Q189 V386 I395 K399 | L185-L390 HydrophobicContact CB-CD2 3.62Å; L185-L390 HydrophobicContact CB-CG 4Å; L185-L390 HydrophobicContact CD1-CD2 4.13Å; L185-L390 HydrophobicContact CD1-CG 4.3Å; Q189-L390 VanDerWaalsContact OE1-CD1 3.24Å; V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.33Å; V386-L390 WeakPolarHBondContact O-CB 3.18Å; V386-L390 WeakPolarHBondContact O-CG 3.15Å; V386-L390 PolarHBondContact O-N 3.44Å; L390-I395 WeakPolarHBondContact O-CG2 3.41Å; L390-K399 PolarHBondContact O-NZ 3.32Å |
| 391 | H | 97.6 | Very high | 96.8 | Very high | 126 Ų | 126 | 59.8 Ų | 59.8 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 11.7 | 176.1 | -59.5 | 86.8 | 0 | 0 | 0 | 112.3 | K387 T388 L389 | K387-H391 PolarHBondContact O-ND1 3.29Å; T388-H391 PolarHBondContact O-N 2.65Å; L389-H391 PolarHBondContact O-N 3.45Å; L389-H391 VanDerWaalsContact O-N 3.15Å |
| 392 | H | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -67.1 | 144 | 178.1 | -165.3 | -94.3 | 0 | 0 | 0 | 110.7 | E367 D370 F371 K374 T388 L389 Y394 I395 E396 | E367-H392 PolarHBondContact O-CE1 2.6Å; D370-H392 IonicContact OD2-CE1 2.85Å; D370-H392 PolarHBondContact OD2-CE1 3.12Å; D370-H392 VanDerWaalsContact OD2-CE1 3.3Å; D370-H392 IonicContact OD2-NE2 2.72Å; D370-H392 PolarHBondContact OD2-NE2 3.36Å; F371-H392 HydrophobicContact CD2-CB 3.85Å; F371-H392 AromaticContact CD2-CG 3.7Å; F371-H392 AromaticContact CD2-ND1 3.67Å; F371-H392 HydrophobicContact CE2-CB 4.26Å; K374-H392 PolarHBondContact NZ-NE2 2.84Å; K374-H392 VanDerWaalsContact NZ-NE2 3.12Å; T388-H392 PolarHBondContact O-N 2.8Å; L389-H392 WeakPolarHBondContact O-CB 3.26Å; L389-H392 PolarHBondContact O-N 2.85Å; H392-Y394 WeakPolarHBondContact ND1-CB 3.24Å; H392-Y394 PolarHBondContact ND1-N 3.44Å; H392-Y394 PolarHBondContact O-N 3.05Å; H392-Y394 VanDerWaalsContact O-N 3.12Å; H392-I395 HydrophobicContact CB-CG1 4.36Å; H392-I395 WeakPolarHBondContact O-CA 3.13Å; H392-I395 WeakPolarHBondContact O-CB 3.48Å; H392-I395 PolarHBondContact O-N 3.01Å; H392-E396 PolarHBondContact O-N 3.2Å |
| 393 | P | 98.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -50 | -40.9 | 178.5 | -30.9 | 36.1 | 0 | 0 | 0 | 114.2 | E367 I395 E396 R397 | E367-P393 HydrophobicContact CG-CB 4.3Å; P393-I395 PolarHBondContact O-N 2.77Å; P393-E396 PolarHBondContact O-N 2.76Å; P393-R397 WeakPolarHBondContact O-CB 3.3Å; P393-R397 PolarHBondContact O-N 3.34Å |
| 394 | Y | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 173.7 | 175.8 | -111 | 0 | 0 | 0 | 113.3 | E174 L177 G178 F368 F371 H392 S398 | E174-Y394 HydrophobicContact CG-CE2 3.97Å; E174-Y394 PolarHBondContact O-OH 3.37Å; L177-Y394 VanDerWaalsContact C-OH 3.29Å; G178-Y394 WeakPolarHBondContact CA-OH 3.39Å; G178-Y394 PolarHBondContact N-OH 2.88Å; F368-Y394 HydrophobicContact CB-CD2 3.87Å; F368-Y394 HydrophobicContact CB-CE2 3.77Å; F368-Y394 HydrophobicContact CD2-CD1 4.45Å; F368-Y394 HydrophobicContact CD2-CD2 4.24Å; F368-Y394 AromaticContact CD2-CE1 3.86Å; F368-Y394 HydrophobicContact CD2-CE1 3.86Å; F368-Y394 AromaticContact CD2-CE2 3.61Å; F368-Y394 HydrophobicContact CD2-CE2 3.61Å; F368-Y394 AromaticContact CD2-CZ 3.38Å; F368-Y394 WeakPolarHBondContact CD2-OH 3.33Å; F368-Y394 HydrophobicContact CE2-CE1 4.4Å; F368-Y394 HydrophobicContact CG-CE2 4.12Å; F371-Y394 HydrophobicContact CB-CD1 4.03Å; F371-Y394 HydrophobicContact CB-CG 4.17Å; F371-Y394 AromaticContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CD1 3.96Å; F371-Y394 HydrophobicContact CD1-CE1 4.27Å; F371-Y394 AromaticContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CD2-CD1 3.95Å; F371-Y394 HydrophobicContact CE1-CD1 4.43Å; F371-Y394 HydrophobicContact CE2-CD1 4.4Å; F371-Y394 AromaticContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CD1 3.7Å; F371-Y394 HydrophobicContact CG-CE1 4.46Å; F371-Y394 HydrophobicContact CG-CG 4.32Å; H392-Y394 WeakPolarHBondContact ND1-CB 3.24Å; H392-Y394 PolarHBondContact ND1-N 3.44Å; H392-Y394 PolarHBondContact O-N 3.05Å; H392-Y394 VanDerWaalsContact O-N 3.12Å; Y394-S398 VanDerWaalsContact O-CB 3.27Å; Y394-S398 WeakPolarHBondContact O-CB 3.28Å; Y394-S398 PolarHBondContact O-N 2.65Å; Y394-S398 PolarHBondContact O-OG 2.87Å |
| 395 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.8 | -42.2 | 179.9 | -67.2 | -59.5 | 0 | 0 | 0 | 110.6 | S181 I182 L185 F371 L389 L390 H392 P393 R397 S398 K399 | S181-I395 VanDerWaalsContact CB-CD1 3.5Å; I182-I395 HydrophobicContact CG1-CD1 4.26Å; I182-I395 HydrophobicContact CG1-CG2 4.09Å; L185-I395 HydrophobicContact CD1-CD1 4Å; L185-I395 HydrophobicContact CD1-CG1 4.07Å; F371-I395 HydrophobicContact CD2-CG1 4.19Å; F371-I395 HydrophobicContact CE2-CD1 3.89Å; F371-I395 HydrophobicContact CE2-CG1 3.57Å; F371-I395 HydrophobicContact CZ-CD1 4.04Å; F371-I395 HydrophobicContact CZ-CG1 4.22Å; L389-I395 VanDerWaalsContact O-CG1 3.23Å; L389-I395 WeakPolarHBondContact O-CG1 3.33Å; L390-I395 WeakPolarHBondContact O-CG2 3.41Å; H392-I395 HydrophobicContact CB-CG1 4.36Å; H392-I395 WeakPolarHBondContact O-CA 3.13Å; H392-I395 WeakPolarHBondContact O-CB 3.48Å; H392-I395 PolarHBondContact O-N 3.01Å; P393-I395 PolarHBondContact O-N 2.77Å; I395-R397 PolarHBondContact O-N 2.81Å; I395-S398 PolarHBondContact O-N 3.4Å; I395-K399 HydrophobicContact CG2-CD 4.4Å; I395-K399 WeakPolarHBondContact O-CG 3.38Å; I395-K399 PolarHBondContact O-N 3.38Å |
| 396 | E | 97.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.3 | -67.7 | -54.7 | 139.8 | 0 | 0 | 111.9 | H392 P393 K399 Q400 | H392-E396 PolarHBondContact O-N 3.2Å; P393-E396 PolarHBondContact O-N 2.76Å; E396-K399 PolarHBondContact O-N 3.27Å; E396-K399 IonicContact OE1-NZ 2.7Å; E396-K399 PolarHBondContact OE1-NZ 2.94Å; E396-K399 IonicContact OE2-NZ 2.6Å; E396-Q400 PolarHBondContact O-N 2.92Å |
| 397 | R | 97.7 | Very high | 96.4 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 23% | 0.234 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 172.9 | -166.9 | -173.3 | 75.9 | -153.7 | -6.2 | 111.4 | E174 S365 E367 P393 I395 K399 Q400 E401 | E174-R397 IonicContact OE1-CZ 3.72Å; E174-R397 IonicContact OE1-NH1 2.88Å; E174-R397 IonicContact OE1-NH2 3.62Å; E174-R397 PolarHBondContact OE1-NH2 2.75Å; S365-R397 PolarHBondContact OG-NH1 2.89Å; E367-R397 IonicContact OE1-NH1 3.57Å; E367-R397 IonicContact OE2-NH1 2.65Å; E367-R397 PolarHBondContact OE2-NH1 3.2Å; P393-R397 WeakPolarHBondContact O-CB 3.3Å; P393-R397 PolarHBondContact O-N 3.34Å; I395-R397 PolarHBondContact O-N 2.81Å; R397-K399 PolarHBondContact O-N 3.41Å; R397-Q400 PolarHBondContact O-N 3.03Å; R397-E401 IonicContact CZ-OE1 2.65Å; R397-E401 IonicContact NE-OE1 3.3Å; R397-E401 PolarHBondContact NE-OE1 3.09Å; R397-E401 IonicContact NH2-OE1 3Å; R397-E401 PolarHBondContact O-N 3.13Å; R397-E401 VanDerWaalsContact O-N 3.1Å |
| 398 | S | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -29.5 | 180 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | G178 K179 Y394 I395 Q400 | G178-S398 VanDerWaalsContact CA-OG 3.28Å; G178-S398 WeakPolarHBondContact CA-OG 3.49Å; K179-S398 PolarHBondContact NZ-O 3.02Å; Y394-S398 VanDerWaalsContact O-CB 3.27Å; Y394-S398 WeakPolarHBondContact O-CB 3.28Å; Y394-S398 PolarHBondContact O-N 2.65Å; Y394-S398 PolarHBondContact O-OG 2.87Å; I395-S398 PolarHBondContact O-N 3.4Å; S398-Q400 VanDerWaalsContact C-N 3.33Å |
| 399 | K | 94.8 | Very high | 96.4 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 174 | -75.4 | 170 | -172.7 | 163.1 | 0 | 111.5 | I182 L390 I395 E396 R397 | I182-K399 HydrophobicContact CD1-CB 4.44Å; I182-K399 HydrophobicContact CD1-CG 3.75Å; I182-K399 HydrophobicContact CG1-CG 4.3Å; L390-K399 PolarHBondContact O-NZ 3.32Å; I395-K399 HydrophobicContact CG2-CD 4.4Å; I395-K399 WeakPolarHBondContact O-CG 3.38Å; I395-K399 PolarHBondContact O-N 3.38Å; E396-K399 PolarHBondContact O-N 3.27Å; E396-K399 IonicContact OE1-NZ 2.7Å; E396-K399 PolarHBondContact OE1-NZ 2.94Å; E396-K399 IonicContact OE2-NZ 2.6Å; R397-K399 PolarHBondContact O-N 3.41Å |
| 400 | Q | 95 | Very high | 96.3 | Very high | 156 Ų | 156 | 55 Ų | 55 | 73% | 0.729 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -82.1 | -25.6 | -177.8 | -62.8 | 177.1 | 3.9 | 0 | 0 | 113.3 | E396 R397 S398 V402 | E396-Q400 PolarHBondContact O-N 2.92Å; R397-Q400 PolarHBondContact O-N 3.03Å; S398-Q400 VanDerWaalsContact C-N 3.33Å; Q400-V402 PolarHBondContact O-N 3.28Å |
| 401 | E | 94.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 59 Ų | 59 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | trans | -64.6 | 123.8 | 178.5 | -73.3 | 172.1 | -169.3 | 0 | 0 | 111.7 | Q175 K179 R397 I403 | Q175-E401 WeakPolarHBondContact CG-OE2 3.45Å; K179-E401 WeakPolarHBondContact CE-O 3.42Å; K179-E401 PolarHBondContact NZ-O 2.74Å; R397-E401 IonicContact CZ-OE1 2.65Å; R397-E401 IonicContact NE-OE1 3.3Å; R397-E401 PolarHBondContact NE-OE1 3.09Å; R397-E401 IonicContact NH2-OE1 3Å; R397-E401 PolarHBondContact O-N 3.13Å; R397-E401 VanDerWaalsContact O-N 3.1Å; E401-I403 HydrophobicContact CB-CD1 3.8Å; E401-I403 HydrophobicContact CB-CG1 4.31Å | ||
| 402 | V | 92.4 | Very high | 95.8 | Very high | 149 Ų | 149 | 53.3 Ų | 53.3 | 90% | 0.903 | 27% | 0.266 | S | S | * | . | trans | -89.7 | 108.8 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | Q400 | Q400-V402 PolarHBondContact O-N 3.28Š| ||
| 403 | I | 93.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 56.1 Ų | 56.1 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | trans | -130.7 | 131.3 | -176.5 | -63.5 | 151.3 | 0 | 0 | 0 | 108.4 | Q175 I176 K179 E401 F405 | Q175-I403 HydrophobicContact CB-CD1 3.47Å; Q175-I403 VanDerWaalsContact CB-CD1 3.47Å; Q175-I403 HydrophobicContact CB-CG1 4.18Å; Q175-I403 HydrophobicContact CG-CD1 4.03Å; Q175-I403 WeakPolarHBondContact O-CD1 3.36Å; I176-I403 HydrophobicContact CD1-CG2 3.84Å; K179-I403 HydrophobicContact CG-CD1 4.38Å; E401-I403 HydrophobicContact CB-CD1 3.8Å; E401-I403 HydrophobicContact CB-CG1 4.31Å; I403-F405 PolarHBondContact O-N 3.07Å | ||
| 404 | D | 95.4 | Very high | 94.7 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | trans | -77.7 | 71.1 | 171.6 | -174.4 | 14.5 | 0 | 0 | 0 | 110.7 | A406 G407 W408 R410 | D404-A406 PolarHBondContact O-N 2.82Å; D404-G407 VanDerWaalsContact CG-N 3.33Å; D404-G407 PolarHBondContact O-N 3.36Å; D404-G407 PolarHBondContact OD1-N 3.07Å; D404-G407 WeakPolarHBondContact OD2-CA 3.37Å; D404-W408 PolarHBondContact O-N 3.22Å; D404-R410 IonicContact OD1-NH2 2.76Å; D404-R410 IonicContact OD2-NH2 3.88Å | ||
| 405 | F | 96 | Very high | 94 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 178 | -172.5 | -86.2 | 0 | 0 | 0 | 111.3 | I176 K179 I180 V209 I215 I403 W408 V409 | I176-F405 HydrophobicContact CD1-CD2 3.99Å; I176-F405 HydrophobicContact CG2-CD2 4.13Å; I176-F405 HydrophobicContact CG2-CE2 3.66Å; K179-F405 HydrophobicContact CB-CD2 3.98Å; K179-F405 HydrophobicContact CB-CE2 4.34Å; K179-F405 HydrophobicContact CG-CD2 4.4Å; I180-F405 HydrophobicContact CD1-CE2 4.48Å; I180-F405 HydrophobicContact CG1-CE2 4.12Å; I180-F405 HydrophobicContact CG1-CZ 4.33Å; V209-F405 HydrophobicContact CB-CE1 4.41Å; V209-F405 HydrophobicContact CG1-CE1 4.08Å; V209-F405 HydrophobicContact CG1-CZ 3.98Å; I215-F405 HydrophobicContact CD1-CD1 4.35Å; I215-F405 HydrophobicContact CD1-CD2 4.35Å; I215-F405 HydrophobicContact CD1-CE1 3.75Å; I215-F405 HydrophobicContact CD1-CE2 3.72Å; I215-F405 HydrophobicContact CD1-CZ 3.4Å; I215-F405 HydrophobicContact CG1-CD1 4.33Å; I215-F405 HydrophobicContact CG1-CE1 3.53Å; I215-F405 HydrophobicContact CG1-CE2 4.37Å; I215-F405 HydrophobicContact CG1-CZ 3.56Å; I403-F405 PolarHBondContact O-N 3.07Å; F405-W408 HydrophobicContact CD2-CE3 4.33Å; F405-W408 HydrophobicContact CE2-CE3 4.07Å; F405-W408 AromaticContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CZ-CE3 4.21Å; F405-W408 AromaticContact CZ-CZ3 3.96Å; F405-W408 HydrophobicContact CZ-CZ3 3.96Å; F405-W408 PolarHBondContact O-N 3.19Å; F405-V409 HydrophobicContact CD1-CG2 3.84Å; F405-V409 HydrophobicContact CE1-CG2 3.47Å; F405-V409 VanDerWaalsContact CE1-CG2 3.47Å; F405-V409 HydrophobicContact CZ-CG2 4.16Å; F405-V409 WeakPolarHBondContact O-CG2 3.27Å; F405-V409 PolarHBondContact O-N 3.23Å |
| 406 | A | 95.6 | Very high | 93 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D404 V409 R410 | D404-A406 PolarHBondContact O-N 2.82Å; A406-V409 PolarHBondContact O-N 3.41Å; A406-R410 VanDerWaalsContact CB-NH1 3.29Å; A406-R410 WeakPolarHBondContact O-CG 3.32Å; A406-R410 PolarHBondContact O-N 3.09Å; A406-R410 PolarHBondContact O-NH1 3.28Å |
| 407 | G | 96 | Very high | 91.7 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D404 V409 R410 E411 | D404-G407 VanDerWaalsContact CG-N 3.33Å; D404-G407 PolarHBondContact O-N 3.36Å; D404-G407 PolarHBondContact OD1-N 3.07Å; D404-G407 WeakPolarHBondContact OD2-CA 3.37Å; G407-V409 PolarHBondContact O-N 3.25Å; G407-R410 PolarHBondContact O-N 3.49Å; G407-E411 PolarHBondContact O-N 3.46Å |
| 408 | W | 95.8 | Very high | 90.3 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 17% | 0.167 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 174.8 | 178.2 | 77.5 | 0 | 0 | 0 | 112.2 | V165 T169 F172 I176 D404 F405 E411 M412 | V165-W408 HydrophobicContact CG1-CH2 3.58Å; V165-W408 HydrophobicContact CG1-CZ2 4.09Å; V165-W408 HydrophobicContact CG1-CZ3 4.24Å; T169-W408 HydrophobicContact CG2-CZ2 3.83Å; F172-W408 HydrophobicContact CD1-CH2 4.36Å; F172-W408 HydrophobicContact CD1-CZ2 4.22Å; F172-W408 AromaticContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CH2 3.95Å; F172-W408 HydrophobicContact CD2-CZ2 4.38Å; F172-W408 HydrophobicContact CE1-CH2 4.03Å; F172-W408 HydrophobicContact CE1-CZ2 4.17Å; F172-W408 AromaticContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CH2 3.61Å; F172-W408 HydrophobicContact CE2-CZ2 4.37Å; F172-W408 HydrophobicContact CG-CH2 4.33Å; F172-W408 HydrophobicContact CG-CZ2 4.33Å; F172-W408 AromaticContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CH2 3.67Å; F172-W408 HydrophobicContact CZ-CZ2 4.27Å; I176-W408 HydrophobicContact CD1-CB 4.23Å; I176-W408 HydrophobicContact CD1-CD2 3.9Å; I176-W408 HydrophobicContact CD1-CE3 4.21Å; I176-W408 HydrophobicContact CD1-CG 3.9Å; I176-W408 HydrophobicContact CG1-CD2 4.27Å; I176-W408 HydrophobicContact CG2-CD2 4.24Å; I176-W408 HydrophobicContact CG2-CE3 3.96Å; I176-W408 HydrophobicContact CG2-CH2 3.65Å; I176-W408 HydrophobicContact CG2-CZ2 3.92Å; I176-W408 HydrophobicContact CG2-CZ3 3.67Å; D404-W408 PolarHBondContact O-N 3.22Å; F405-W408 HydrophobicContact CD2-CE3 4.33Å; F405-W408 HydrophobicContact CE2-CE3 4.07Å; F405-W408 AromaticContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CE2-CZ3 4Å; F405-W408 HydrophobicContact CZ-CE3 4.21Å; F405-W408 AromaticContact CZ-CZ3 3.96Å; F405-W408 HydrophobicContact CZ-CZ3 3.96Å; F405-W408 PolarHBondContact O-N 3.19Å; W408-E411 WeakPolarHBondContact O-CB 3.49Å; W408-E411 PolarHBondContact O-N 3.25Å; W408-M412 HydrophobicContact CZ2-CG 4.45Å; W408-M412 WeakPolarHBondContact O-CG 3.41Å; W408-M412 PolarHBondContact O-N 2.84Å; W408-M412 VanDerWaalsContact O-N 3.15Å |
| 409 | V | 95.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.7 | 176 | 0 | 0 | 0 | 0 | 111.6 | V209 N210 F405 A406 G407 E411 M412 I413 | V209-V409 HydrophobicContact CB-CG2 4.16Å; V209-V409 HydrophobicContact CG2-CG1 4.12Å; V209-V409 HydrophobicContact CG2-CG2 4.1Å; N210-V409 WeakPolarHBondContact O-CG1 3.37Å; F405-V409 HydrophobicContact CD1-CG2 3.84Å; F405-V409 HydrophobicContact CE1-CG2 3.47Å; F405-V409 VanDerWaalsContact CE1-CG2 3.47Å; F405-V409 HydrophobicContact CZ-CG2 4.16Å; F405-V409 WeakPolarHBondContact O-CG2 3.27Å; F405-V409 PolarHBondContact O-N 3.23Å; A406-V409 PolarHBondContact O-N 3.41Å; G407-V409 PolarHBondContact O-N 3.25Å; V409-E411 VanDerWaalsContact C-N 3.28Å; V409-E411 PolarHBondContact O-N 3.45Å; V409-M412 PolarHBondContact O-N 3.28Å; V409-I413 HydrophobicContact CG1-CD1 3.94Å; V409-I413 HydrophobicContact CG1-CG1 4.27Å; V409-I413 WeakPolarHBondContact O-CG1 3.29Å; V409-I413 PolarHBondContact O-N 2.77Å |
| 410 | R | 95.6 | Very high | 86.9 | Confident | 122 Ų | 122 | 77.7 Ų | 77.7 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 178.3 | -75.4 | -174 | -61.7 | -90 | 2.5 | 112.2 | S211 D404 A406 G407 M412 I413 G414 | S211-R410 PolarHBondContact O-NH1 3.1Å; D404-R410 IonicContact OD1-NH2 2.76Å; D404-R410 IonicContact OD2-NH2 3.88Å; A406-R410 VanDerWaalsContact CB-NH1 3.29Å; A406-R410 WeakPolarHBondContact O-CG 3.32Å; A406-R410 PolarHBondContact O-N 3.09Å; A406-R410 PolarHBondContact O-NH1 3.28Å; G407-R410 PolarHBondContact O-N 3.49Å; R410-M412 VanDerWaalsContact C-N 3.33Å; R410-M412 PolarHBondContact O-N 3.17Å; R410-I413 PolarHBondContact O-N 2.75Å; R410-G414 PolarHBondContact O-N 3.14Å |
| 411 | E | 94.2 | Very high | 84.2 | Confident | 98 Ų | 98 | 73.1 Ų | 73.1 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 174 | -169.4 | -167.7 | 161.3 | 0 | 0 | 111.1 | G407 W408 V409 G414 R415 | G407-E411 PolarHBondContact O-N 3.46Å; W408-E411 WeakPolarHBondContact O-CB 3.49Å; W408-E411 PolarHBondContact O-N 3.25Å; V409-E411 VanDerWaalsContact C-N 3.28Å; V409-E411 PolarHBondContact O-N 3.45Å; E411-G414 PolarHBondContact O-N 3.18Å; E411-R415 PolarHBondContact O-N 2.83Å; E411-R415 IonicContact OE1-CZ 3.48Å; E411-R415 IonicContact OE1-NE 3.16Å; E411-R415 IonicContact OE1-NH2 2.84Å; E411-R415 PolarHBondContact OE1-NH2 3.24Å |
| 412 | M | 91.4 | Very high | 81.3 | Confident | 5 Ų | 5 | 82.5 Ų | 82.5 | 3% | 0.025 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70.3 | -31.4 | 179.4 | -63.4 | -46.7 | 115.4 | 0 | 0 | 113.9 | V165 K168 T169 W408 V409 R410 G414 R415 | V165-M412 HydrophobicContact CG1-CB 4.27Å; V165-M412 HydrophobicContact CG1-CG 4.06Å; K168-M412 WeakPolarHBondContact CD-O 3.21Å; K168-M412 PolarHBondContact NZ-O 3.41Å; T169-M412 HydrophobicContact CG2-CE 4.32Å; T169-M412 HydrophobicContact CG2-CG 3.73Å; T169-M412 HydrophobicContact CG2-SD 3.18Å; T169-M412 WeakPolarHBondContact CG2-SD 3.34Å; W408-M412 HydrophobicContact CZ2-CG 4.45Å; W408-M412 WeakPolarHBondContact O-CG 3.41Å; W408-M412 PolarHBondContact O-N 2.84Å; W408-M412 VanDerWaalsContact O-N 3.15Å; V409-M412 PolarHBondContact O-N 3.28Å; R410-M412 VanDerWaalsContact C-N 3.33Å; R410-M412 PolarHBondContact O-N 3.17Å; M412-G414 VanDerWaalsContact C-N 3.27Å; M412-G414 PolarHBondContact O-N 2.94Å; M412-R415 PolarHBondContact O-N 2.7Å |
| 413 | I | 88.8 | Confident | 80.7 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 35% | 0.349 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 173 | -69.4 | 169.2 | 0 | 0 | 0 | 110 | V409 R410 R415 | V409-I413 HydrophobicContact CG1-CD1 3.94Å; V409-I413 HydrophobicContact CG1-CG1 4.27Å; V409-I413 WeakPolarHBondContact O-CG1 3.29Å; V409-I413 PolarHBondContact O-N 2.77Å; R410-I413 PolarHBondContact O-N 2.75Å; I413-R415 VanDerWaalsContact C-N 3.31Å; I413-R415 PolarHBondContact O-N 2.92Å |
| 414 | G | 85.4 | Confident | 80 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 71% | 0.711 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72.2 | -15.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R410 E411 M412 | R410-G414 PolarHBondContact O-N 3.14Å; E411-G414 PolarHBondContact O-N 3.18Å; M412-G414 VanDerWaalsContact C-N 3.27Å; M412-G414 PolarHBondContact O-N 2.94Å |
| 415 | R | 83.8 | Confident | 79.2 | Confident | 106 Ų | 106 | 79.9 Ų | 79.9 | 40% | 0.4 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -81.9 | 137.1 | 178.3 | -68.8 | -178.3 | -175.5 | -160.6 | 0.5 | 111.6 | K168 E411 M412 I413 | K168-R415 HydrophobicContact CD-CB 4.37Å; K168-R415 WeakPolarHBondContact CE-O 3.26Å; K168-R415 PolarHBondContact NZ-O 3.37Å; E411-R415 PolarHBondContact O-N 2.83Å; E411-R415 IonicContact OE1-CZ 3.48Å; E411-R415 IonicContact OE1-NE 3.16Å; E411-R415 IonicContact OE1-NH2 2.84Å; E411-R415 PolarHBondContact OE1-NH2 3.24Å; M412-R415 PolarHBondContact O-N 2.7Å; I413-R415 VanDerWaalsContact C-N 3.31Å; I413-R415 PolarHBondContact O-N 2.92Å |
| 416 | K | 76.1 | Confident | 78.2 | Confident | 160 Ų | 160 | 83.8 Ų | 83.8 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 154.1 | 169.4 | -69.7 | -170.2 | 174.5 | -171.3 | 0 | 111.1 | ||
| 417 | L | 71.8 | Confident | 77.1 | Confident | 49 Ų | 49 | 88.1 Ų | 88.1 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 148.5 | 169.9 | -74.1 | 167.5 | 0 | 0 | 0 | 110 | I164 K167 K168 D419 E420 | I164-L417 HydrophobicContact CG2-CD2 4.43Å; K167-L417 HydrophobicContact CB-CD2 3.98Å; K168-L417 HydrophobicContact CG-CD2 3.82Å; L417-D419 PolarHBondContact O-N 2.89Å; L417-D419 VanDerWaalsContact O-N 3.16Å; L417-E420 HydrophobicContact CB-CG 4.11Å; L417-E420 PolarHBondContact O-N 3.22Å |
| 418 | P | 66.6 | Low | 75.9 | Confident | 87 Ų | 87 | 92.8 Ų | 92.8 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -54.3 | -35.4 | 179.6 | -25.3 | 33.5 | 0 | 0 | 0 | 113.3 | K167 E420 | K167-P418 WeakPolarHBondContact O-CD 3.31Å; K167-P418 VanDerWaalsContact O-CG 3.28Å; K167-P418 WeakPolarHBondContact O-CG 3.39Å; P418-E420 VanDerWaalsContact C-N 3.32Å; P418-E420 PolarHBondContact O-N 3.11Å |
| 419 | D | 63.6 | Low | 74.4 | Confident | 160 Ų | 160 | 96.3 Ų | 96.3 | 86% | 0.856 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -82.6 | -6.6 | -176.6 | -54.7 | -31.8 | 0 | 0 | 0 | 113.6 | L417 G421 | L417-D419 PolarHBondContact O-N 2.89Å; L417-D419 VanDerWaalsContact O-N 3.16Å; D419-G421 VanDerWaalsContact C-N 3.3Å |
| 420 | E | 57.6 | Low | 72.8 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -92.2 | 10.5 | 176.4 | -68.7 | -177.6 | 160.1 | 0 | 0 | 112.9 | L417 P418 | L417-E420 HydrophobicContact CB-CG 4.11Å; L417-E420 PolarHBondContact O-N 3.22Å; P418-E420 VanDerWaalsContact C-N 3.32Å; P418-E420 PolarHBondContact O-N 3.11Å |
| 421 | G | 39.3 | Very low | 70.9 | Confident | 59 Ų | 59 | 102 Ų | 102 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | trans | -114.2 | 77.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | D419 | D419-G421 VanDerWaalsContact C-N 3.3Š| ||
| 422 | N | 32.4 | Very low | 68.8 | Low | 239 Ų | 239 | 102.4 Ų | 102.4 | 100% | 1.278 | 58% | 0.575 | S | S | * | * | trans | -154.8 | 0 | 150.4 | -132.3 | 12 | 0 | 0 | 0 | 110.7 |
Retrieved 422 of 422 residues in 582 ms
(Link to these results)