| 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 | D | 54.3 | Low | 53.6 | Low | 209 Ų | 209 | 164 Ų | 164 | 100% | 1.118 | 79% | 0.789 | S | S | * | * | 0 | 38.6 | 0 | -60.2 | -11 | 0 | 0 | 0 | 116.9 | |||||
| 2 | K | 59.3 | Low | 53.2 | Low | 191 Ų | 191 | 160.3 Ų | 160.3 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -139.9 | -4.5 | 170.7 | -122.8 | 177.7 | -178.1 | -178.6 | 0 | 115.3 | ||||
| 3 | I | 56.8 | Low | 52.3 | Low | 137 Ų | 137 | 160.8 Ų | 160.8 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -102.1 | -17.9 | -173.3 | -62.4 | 172.6 | 0 | 0 | 0 | 111.9 | ||
| 4 | L | 50.8 | Low | 51.4 | Low | 132 Ų | 132 | 155.8 Ų | 155.8 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -85 | -10.8 | -173.9 | -77.1 | 161.6 | 0 | 0 | 0 | 115.4 | ||
| 5 | Y | 58.7 | Low | 50.8 | Low | 224 Ų | 224 | 154.2 Ų | 154.2 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -91.9 | -20.3 | -177.6 | -155.1 | -95.6 | 0 | 0 | 0 | 113.7 | I7 | Y5-I7 VanDerWaalsContact C-N 3.33Å; Y5-I7 PolarHBondContact O-N 3.45Å |
| 6 | E | 61.1 | Low | 50.4 | Low | 177 Ų | 177 | 150.8 Ų | 150.8 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -6.1 | -176.6 | -75.6 | -179.2 | 161 | 0 | 0 | 114 | ||
| 7 | I | 52.5 | Low | 50 | Low | 124 Ų | 124 | 153.1 Ų | 153.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 2.8 | -172.5 | -47.6 | 175.8 | 0 | 0 | 0 | 112.8 | Y5 W9 | Y5-I7 VanDerWaalsContact C-N 3.33Å; Y5-I7 PolarHBondContact O-N 3.45Å; I7-W9 PolarHBondContact O-N 3.47Å |
| 8 | G | 52 | Low | 50 | Low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | trans | 65.8 | 36.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 9 | W | 48.8 | Very low | 50.4 | Low | 189 Ų | 189 | 146 Ų | 146 | 72% | 0.716 | 74% | 0.738 | S | S | * | * | trans | -93.4 | 114.1 | 178.1 | -112.6 | 3.2 | 0 | 0 | 0 | 111.8 | I7 | I7-W9 PolarHBondContact O-N 3.47Š| ||
| 10 | D | 42.4 | Very low | 51.3 | Low | 111 Ų | 111 | 145.2 Ų | 145.2 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | trans | -87.1 | 135.2 | 177.2 | -158.9 | -7.5 | 0 | 0 | 0 | 110.8 | T12 F13 | D10-T12 PolarHBondContact O-N 3.44Å; D10-F13 PolarHBondContact O-N 3.48Å | ||
| 11 | Y | 52.7 | Low | 52.2 | Low | 236 Ų | 236 | 140.7 Ų | 140.7 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 12.3 | -169.7 | -95.9 | -92.5 | 0 | 0 | 0 | 115 | ||
| 12 | T | 48.5 | Very low | 53 | Low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 3.5 | 179.9 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | D10 | D10-T12 PolarHBondContact O-N 3.44Š|
| 13 | F | 41.7 | Very low | 53.5 | Low | 167 Ų | 167 | 133 Ų | 133 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -82.4 | 116 | 165.5 | -92.7 | -96.7 | 0 | 0 | 0 | 109.8 | D10 L15 | D10-F13 PolarHBondContact O-N 3.48Å; F13-L15 PolarHBondContact O-N 3.24Å |
| 14 | A | 40.4 | Very low | 54.5 | Low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | trans | -50.3 | 118.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P16 | A14-P16 WeakPolarHBondContact O-CD 3.5Š| ||
| 15 | L | 42.4 | Very low | 55.9 | Low | 132 Ų | 132 | 126.9 Ų | 126.9 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | trans | -40.6 | 118.6 | 163.9 | -87.8 | 151.8 | 0 | 0 | 0 | 106.4 | F13 E17 | F13-L15 PolarHBondContact O-N 3.24Å; L15-E17 PolarHBondContact O-N 3.19Å | ||
| 16 | P | 43.3 | Very low | 56.8 | Low | 99 Ų | 99 | 121.7 Ų | 121.7 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | trans | -48.5 | 125.8 | 173.3 | -23.6 | 31.7 | 0 | 0 | 0 | 106.1 | A14 L18 | A14-P16 WeakPolarHBondContact O-CD 3.5Å; P16-L18 PolarHBondContact O-N 3.48Å | ||
| 17 | E | 43.6 | Very low | 57.6 | Low | 190 Ų | 190 | 119 Ų | 119 | 89% | 0.888 | 63% | 0.628 | S | S | * | * | trans | -41.5 | 109.5 | 174.1 | -73.1 | -178.2 | 154.9 | 0 | 0 | 106.3 | L15 N19 | L15-E17 PolarHBondContact O-N 3.19Å; E17-N19 VanDerWaalsContact C-N 3.32Å; E17-N19 PolarHBondContact O-N 3.33Å | ||
| 18 | L | 51.3 | Low | 58.9 | Low | 63 Ų | 63 | 119 Ų | 119 | 33% | 0.33 | 63% | 0.625 | S | S | . | * | trans | -57.2 | 108.9 | -177.3 | -94.2 | 92.4 | 0 | 0 | 0 | 104.3 | P16 D20 N22 | P16-L18 PolarHBondContact O-N 3.48Å; L18-D20 PolarHBondContact O-N 2.83Å; L18-N22 HydrophobicContact CB-CB 4.33Å; L18-N22 HydrophobicContact CD2-CB 3.69Å; L18-N22 HydrophobicContact CG-CB 4.11Å | ||
| 19 | N | 56.4 | Low | 60.3 | Low | 109 Ų | 109 | 118.9 Ų | 118.9 | 58% | 0.583 | 61% | 0.609 | S | S | * | * | trans | -42.8 | 136.2 | 166.2 | -178.8 | 0.8 | 0 | 0 | 0 | 106.5 | E17 A21 N22 | E17-N19 VanDerWaalsContact C-N 3.32Å; E17-N19 PolarHBondContact O-N 3.33Å; N19-A21 CarbonylContact O-C 3.56Å; N19-A21 PolarHBondContact O-N 3.49Å; N19-N22 PolarHBondContact O-N 3Å | ||
| 20 | D | 67.8 | Low | 61.9 | Low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -48.4 | -28.7 | -175.2 | -70.4 | -40.8 | 0 | 0 | 0 | 112.2 | L18 N22 R23 A24 | L18-D20 PolarHBondContact O-N 2.83Å; D20-N22 PolarHBondContact O-N 3.37Å; D20-R23 PolarHBondContact O-N 3.35Å; D20-A24 WeakPolarHBondContact O-CB 3.49Å; D20-A24 PolarHBondContact O-N 3.43Å |
| 21 | A | 71.3 | Confident | 63.8 | Low | 50 Ų | 50 | 117.7 Ų | 117.7 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -56.1 | -43.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N19 L25 | N19-A21 CarbonylContact O-C 3.56Å; N19-A21 PolarHBondContact O-N 3.49Å; A21-L25 WeakPolarHBondContact O-CB 3.37Å; A21-L25 PolarHBondContact O-N 3.44Å |
| 22 | N | 69.9 | Low | 65.3 | Low | 89 Ų | 89 | 108.6 Ų | 108.6 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.4 | -28.8 | -176.6 | -73 | -7.6 | 0 | 0 | 0 | 112.3 | L18 N19 D20 L26 | L18-N22 HydrophobicContact CB-CB 4.33Å; L18-N22 HydrophobicContact CD2-CB 3.69Å; L18-N22 HydrophobicContact CG-CB 4.11Å; N19-N22 PolarHBondContact O-N 3Å; D20-N22 PolarHBondContact O-N 3.37Å; N22-L26 PolarHBondContact O-N 3.21Å |
| 23 | R | 71.1 | Confident | 66.7 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.5 | -39.8 | 173 | -163.9 | -178.6 | -58.1 | 177.3 | 6.7 | 110.9 | D20 L25 L26 E27 | D20-R23 PolarHBondContact O-N 3.35Å; R23-L25 VanDerWaalsContact C-N 3.35Å; R23-L26 PolarHBondContact O-N 3.34Å; R23-E27 PolarHBondContact O-N 3.42Å; R23-E27 VanDerWaalsContact O-N 3.16Å |
| 24 | A | 78.1 | Confident | 68.8 | Low | 49 Ų | 49 | 104.1 Ų | 104.1 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | D20 L26 E27 E28 | D20-A24 WeakPolarHBondContact O-CB 3.49Å; D20-A24 PolarHBondContact O-N 3.43Å; A24-L26 PolarHBondContact O-N 3.24Å; A24-E27 PolarHBondContact O-N 3.23Å; A24-E28 WeakPolarHBondContact O-CG 3.47Å; A24-E28 PolarHBondContact O-N 3.08Å |
| 25 | L | 78.6 | Confident | 70.9 | Confident | 90 Ų | 90 | 104.9 Ų | 104.9 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 176.5 | -105.5 | 157.2 | 0 | 0 | 0 | 113.2 | A21 R23 E28 V29 | A21-L25 WeakPolarHBondContact O-CB 3.37Å; A21-L25 PolarHBondContact O-N 3.44Å; R23-L25 VanDerWaalsContact C-N 3.35Å; L25-E28 PolarHBondContact O-N 3.48Å; L25-V29 VanDerWaalsContact O-CG2 3.27Å; L25-V29 WeakPolarHBondContact O-CG2 3.47Å; L25-V29 PolarHBondContact O-N 3.39Å |
| 26 | L | 77.8 | Confident | 72.9 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.4 | -38.3 | 177.6 | -112.3 | 159.2 | 0 | 0 | 0 | 112.3 | N22 R23 A24 V29 Y30 | N22-L26 PolarHBondContact O-N 3.21Å; R23-L26 PolarHBondContact O-N 3.34Å; A24-L26 PolarHBondContact O-N 3.24Å; L26-V29 PolarHBondContact O-N 3.35Å; L26-Y30 WeakPolarHBondContact O-CB 3.31Å; L26-Y30 PolarHBondContact O-N 3.27Å |
| 27 | E | 78.7 | Confident | 75 | Confident | 121 Ų | 121 | 103.7 Ų | 103.7 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -37 | 171.1 | -78.6 | -174.9 | -179.1 | 0 | 0 | 112.1 | R23 A24 K31 | R23-E27 PolarHBondContact O-N 3.42Å; R23-E27 VanDerWaalsContact O-N 3.16Å; A24-E27 PolarHBondContact O-N 3.23Å; E27-K31 WeakPolarHBondContact O-CB 3.42Å; E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.44Å; E27-K31 PolarHBondContact O-N 3.34Å |
| 28 | E | 80.8 | Confident | 77 | Confident | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 172.3 | -81.4 | -176.9 | 170 | 0 | 0 | 111.9 | A24 L25 K31 A32 | A24-E28 WeakPolarHBondContact O-CG 3.47Å; A24-E28 PolarHBondContact O-N 3.08Å; L25-E28 PolarHBondContact O-N 3.48Å; E28-K31 PolarHBondContact O-N 3.13Å; E28-A32 WeakPolarHBondContact O-CB 3.45Å; E28-A32 PolarHBondContact O-N 3.19Å |
| 29 | V | 80.5 | Confident | 78.7 | Confident | 70 Ų | 70 | 101.9 Ų | 101.9 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | L25 L26 K31 A32 E33 | L25-V29 VanDerWaalsContact O-CG2 3.27Å; L25-V29 WeakPolarHBondContact O-CG2 3.47Å; L25-V29 PolarHBondContact O-N 3.39Å; L26-V29 PolarHBondContact O-N 3.35Å; V29-K31 VanDerWaalsContact C-N 3.35Å; V29-K31 PolarHBondContact O-N 3.39Å; V29-A32 PolarHBondContact O-N 3.13Å; V29-E33 HydrophobicContact CG1-CG 4.35Å; V29-E33 WeakPolarHBondContact O-CB 3.44Å; V29-E33 WeakPolarHBondContact O-CG 3.46Å; V29-E33 PolarHBondContact O-N 3.38Å |
| 30 | Y | 82.5 | Confident | 80.2 | Confident | 149 Ų | 149 | 98 Ų | 98 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 177.5 | -170.8 | -96.5 | 0 | 0 | 0 | 112.1 | L26 E33 M34 | L26-Y30 WeakPolarHBondContact O-CB 3.31Å; L26-Y30 PolarHBondContact O-N 3.27Å; Y30-E33 PolarHBondContact O-N 3.15Å; Y30-M34 HydrophobicContact CD1-CG 4.22Å; Y30-M34 HydrophobicContact CE1-CG 3.86Å; Y30-M34 WeakPolarHBondContact O-CB 3.44Å; Y30-M34 WeakPolarHBondContact O-CG 3.44Å; Y30-M34 PolarHBondContact O-N 3.2Å |
| 31 | K | 83.2 | Confident | 81.2 | Confident | 127 Ų | 127 | 95.7 Ų | 95.7 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -47 | 171.5 | -79 | 174.5 | -177.2 | 170.5 | 0 | 111.3 | E27 E28 V29 E33 M34 E35 | E27-K31 WeakPolarHBondContact O-CB 3.42Å; E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.44Å; E27-K31 PolarHBondContact O-N 3.34Å; E28-K31 PolarHBondContact O-N 3.13Å; V29-K31 VanDerWaalsContact C-N 3.35Å; V29-K31 PolarHBondContact O-N 3.39Å; K31-E33 VanDerWaalsContact C-N 3.34Å; K31-E33 PolarHBondContact O-N 3.17Å; K31-M34 PolarHBondContact O-N 3.05Å; K31-E35 WeakPolarHBondContact O-CB 3.46Å; K31-E35 VanDerWaalsContact O-CG 3.29Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 3.1Å |
| 32 | A | 82.3 | Confident | 82 | Confident | 45 Ų | 45 | 98 Ų | 98 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E28 V29 E35 V36 | E28-A32 WeakPolarHBondContact O-CB 3.45Å; E28-A32 PolarHBondContact O-N 3.19Å; V29-A32 PolarHBondContact O-N 3.13Å; A32-E35 PolarHBondContact O-N 3.48Å; A32-V36 WeakPolarHBondContact O-CB 3.45Å; A32-V36 VanDerWaalsContact O-CG2 3.23Å; A32-V36 WeakPolarHBondContact O-CG2 3.47Å; A32-V36 PolarHBondContact O-N 3.11Å |
| 33 | E | 79.6 | Confident | 82.9 | Confident | 116 Ų | 116 | 99 Ų | 99 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.3 | -76.9 | -178.9 | 166.8 | 0 | 0 | 111.8 | V29 Y30 K31 V36 L37 | V29-E33 HydrophobicContact CG1-CG 4.35Å; V29-E33 WeakPolarHBondContact O-CB 3.44Å; V29-E33 WeakPolarHBondContact O-CG 3.46Å; V29-E33 PolarHBondContact O-N 3.38Å; Y30-E33 PolarHBondContact O-N 3.15Å; K31-E33 VanDerWaalsContact C-N 3.34Å; K31-E33 PolarHBondContact O-N 3.17Å; E33-V36 PolarHBondContact O-N 2.91Å; E33-L37 WeakPolarHBondContact O-CB 3.37Å; E33-L37 PolarHBondContact O-N 3.4Å |
| 34 | M | 84.3 | Confident | 83.8 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.5 | -76.9 | -56.7 | -39.9 | 0 | 0 | 112.5 | Y30 K31 L37 Q38 | Y30-M34 HydrophobicContact CD1-CG 4.22Å; Y30-M34 HydrophobicContact CE1-CG 3.86Å; Y30-M34 WeakPolarHBondContact O-CB 3.44Å; Y30-M34 WeakPolarHBondContact O-CG 3.44Å; Y30-M34 PolarHBondContact O-N 3.2Å; K31-M34 PolarHBondContact O-N 3.05Å; M34-L37 PolarHBondContact O-N 3.45Å; M34-Q38 WeakPolarHBondContact O-CB 3.42Å; M34-Q38 WeakPolarHBondContact O-CG 3.36Å; M34-Q38 PolarHBondContact O-N 3.09Å |
| 35 | E | 84.7 | Confident | 84.3 | Confident | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 173.6 | -75.5 | 171.8 | -174.7 | 0 | 0 | 111.3 | K31 A32 L37 Q38 H39 | K31-E35 WeakPolarHBondContact O-CB 3.46Å; K31-E35 VanDerWaalsContact O-CG 3.29Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 3.1Å; A32-E35 PolarHBondContact O-N 3.48Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.27Å; E35-Q38 PolarHBondContact O-N 2.96Å; E35-H39 WeakPolarHBondContact O-CB 3.29Å; E35-H39 PolarHBondContact O-CD2 2.96Å; E35-H39 VanDerWaalsContact O-CD2 3.25Å; E35-H39 PolarHBondContact O-N 3.47Å |
| 36 | V | 84.4 | Confident | 84.8 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 174.5 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | A32 E33 G40 | A32-V36 WeakPolarHBondContact O-CB 3.45Å; A32-V36 VanDerWaalsContact O-CG2 3.23Å; A32-V36 WeakPolarHBondContact O-CG2 3.47Å; A32-V36 PolarHBondContact O-N 3.11Å; E33-V36 PolarHBondContact O-N 2.91Å; V36-G40 WeakPolarHBondContact O-CA 3.47Å; V36-G40 PolarHBondContact O-N 3.38Å |
| 37 | L | 87.4 | Confident | 85.5 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 174.7 | -109.8 | 154.1 | 0 | 0 | 0 | 112 | E33 M34 E35 G40 N41 | E33-L37 WeakPolarHBondContact O-CB 3.37Å; E33-L37 PolarHBondContact O-N 3.4Å; M34-L37 PolarHBondContact O-N 3.45Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.27Å; L37-G40 PolarHBondContact O-N 2.98Å; L37-N41 VanDerWaalsContact O-CG 3.32Å; L37-N41 PolarHBondContact O-N 3.45Å; L37-N41 PolarHBondContact O-ND2 3.11Å |
| 38 | Q | 86.9 | Confident | 86 | Confident | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -53.4 | 175.1 | -78.7 | -179.4 | -7.3 | 0 | 0 | 111.2 | M34 E35 G40 N41 E42 | M34-Q38 WeakPolarHBondContact O-CB 3.42Å; M34-Q38 WeakPolarHBondContact O-CG 3.36Å; M34-Q38 PolarHBondContact O-N 3.09Å; E35-Q38 PolarHBondContact O-N 2.96Å; Q38-G40 VanDerWaalsContact C-N 3.26Å; Q38-G40 PolarHBondContact O-N 3.39Å; Q38-N41 PolarHBondContact O-N 2.91Å; Q38-N41 VanDerWaalsContact O-N 3.07Å; Q38-E42 WeakPolarHBondContact O-CG 3.46Å; Q38-E42 PolarHBondContact O-N 3.12Å |
| 39 | H | 86.4 | Confident | 86.5 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 175.9 | -70.7 | -41.4 | 0 | 0 | 0 | 112.3 | E35 N41 E42 I43 | E35-H39 WeakPolarHBondContact O-CB 3.29Å; E35-H39 PolarHBondContact O-CD2 2.96Å; E35-H39 VanDerWaalsContact O-CD2 3.25Å; E35-H39 PolarHBondContact O-N 3.47Å; H39-N41 VanDerWaalsContact C-N 3.33Å; H39-N41 PolarHBondContact O-N 3.47Å; H39-E42 IonicContact CE1-OE2 2.72Å; H39-E42 IonicContact CG-OE2 3.94Å; H39-E42 IonicContact ND1-OE2 2.89Å; H39-E42 PolarHBondContact ND1-OE2 2.93Å; H39-E42 PolarHBondContact O-N 3.48Å; H39-I43 WeakPolarHBondContact O-CB 3.24Å; H39-I43 WeakPolarHBondContact O-CD1 3.29Å; H39-I43 WeakPolarHBondContact O-CG1 3.38Å; H39-I43 PolarHBondContact O-N 3.47Å |
| 40 | G | 88.8 | Confident | 87 | Confident | 27 Ų | 27 | 104.9 Ų | 104.9 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V36 L37 Q38 K44 | V36-G40 WeakPolarHBondContact O-CA 3.47Å; V36-G40 PolarHBondContact O-N 3.38Å; L37-G40 PolarHBondContact O-N 2.98Å; Q38-G40 VanDerWaalsContact C-N 3.26Å; Q38-G40 PolarHBondContact O-N 3.39Å; G40-K44 WeakPolarHBondContact O-CG 3.4Å; G40-K44 PolarHBondContact O-N 3.44Å; G40-K44 VanDerWaalsContact O-N 3.13Å |
| 41 | N | 87.8 | Confident | 87.4 | Confident | 81 Ų | 81 | 103 Ų | 103 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 174 | -71.4 | -22.6 | 0 | 0 | 0 | 111.8 | L37 Q38 H39 I43 K44 E45 | L37-N41 VanDerWaalsContact O-CG 3.32Å; L37-N41 PolarHBondContact O-N 3.45Å; L37-N41 PolarHBondContact O-ND2 3.11Å; Q38-N41 PolarHBondContact O-N 2.91Å; Q38-N41 VanDerWaalsContact O-N 3.07Å; H39-N41 VanDerWaalsContact C-N 3.33Å; H39-N41 PolarHBondContact O-N 3.47Å; N41-I43 VanDerWaalsContact C-N 3.33Å; N41-I43 PolarHBondContact O-N 3.21Å; N41-K44 WeakPolarHBondContact O-CB 3.41Å; N41-K44 PolarHBondContact O-N 2.87Å; N41-K44 VanDerWaalsContact O-N 3.15Å; N41-E45 PolarHBondContact O-N 3.45Å |
| 42 | E | 88.7 | Confident | 87.9 | Confident | 98 Ų | 98 | 101.9 Ų | 101.9 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 174.1 | -70.4 | 173.5 | 164.8 | 0 | 0 | 111.7 | Q38 H39 K44 E45 I46 | Q38-E42 WeakPolarHBondContact O-CG 3.46Å; Q38-E42 PolarHBondContact O-N 3.12Å; H39-E42 IonicContact CE1-OE2 2.72Å; H39-E42 IonicContact CG-OE2 3.94Å; H39-E42 IonicContact ND1-OE2 2.89Å; H39-E42 PolarHBondContact ND1-OE2 2.93Å; H39-E42 PolarHBondContact O-N 3.48Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.41Å; E42-E45 PolarHBondContact O-N 3.06Å; E42-I46 WeakPolarHBondContact O-CB 3.44Å; E42-I46 VanDerWaalsContact O-CG1 3.24Å; E42-I46 WeakPolarHBondContact O-CG1 3.49Å; E42-I46 PolarHBondContact O-N 3.22Å |
| 43 | I | 88.1 | Confident | 88.3 | Confident | 111 Ų | 111 | 104.8 Ų | 104.8 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 175.6 | -71.8 | 165.8 | 0 | 0 | 0 | 110.6 | H39 N41 I46 K47 | H39-I43 WeakPolarHBondContact O-CB 3.24Å; H39-I43 WeakPolarHBondContact O-CD1 3.29Å; H39-I43 WeakPolarHBondContact O-CG1 3.38Å; H39-I43 PolarHBondContact O-N 3.47Å; N41-I43 VanDerWaalsContact C-N 3.33Å; N41-I43 PolarHBondContact O-N 3.21Å; I43-I46 PolarHBondContact O-N 2.95Å; I43-K47 VanDerWaalsContact O-CB 3.28Å; I43-K47 WeakPolarHBondContact O-CB 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å |
| 44 | K | 89.5 | Confident | 88.9 | Confident | 135 Ų | 135 | 103.3 Ų | 103.3 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | 175.1 | -76.5 | 175.9 | -177.1 | 173.2 | 0 | 111.4 | G40 N41 E42 I46 K47 D48 | G40-K44 WeakPolarHBondContact O-CG 3.4Å; G40-K44 PolarHBondContact O-N 3.44Å; G40-K44 VanDerWaalsContact O-N 3.13Å; N41-K44 WeakPolarHBondContact O-CB 3.41Å; N41-K44 PolarHBondContact O-N 2.87Å; N41-K44 VanDerWaalsContact O-N 3.15Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 3.41Å; K44-I46 VanDerWaalsContact C-N 3.34Å; K44-I46 PolarHBondContact O-N 3.46Å; K44-K47 PolarHBondContact O-N 2.97Å; K44-K47 VanDerWaalsContact O-N 3.15Å; K44-D48 VanDerWaalsContact O-CG 3.3Å; K44-D48 PolarHBondContact O-N 3.2Å |
| 45 | E | 89.5 | Confident | 89.3 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.3 | -74.5 | -169.7 | -165 | 0 | 0 | 112.4 | N41 E42 K47 D48 R49 | N41-E45 PolarHBondContact O-N 3.45Å; E42-E45 PolarHBondContact O-N 3.06Å; E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 3.43Å; E45-D48 PolarHBondContact O-N 3Å; E45-R49 WeakPolarHBondContact O-CB 3.49Å; E45-R49 VanDerWaalsContact O-CG 3.26Å; E45-R49 WeakPolarHBondContact O-CG 3.46Å; E45-R49 PolarHBondContact O-N 2.97Å; E45-R49 IonicContact OE2-NH2 3.71Å; E45-R49 PolarHBondContact OE2-NH2 2.74Å; E45-R49 VanDerWaalsContact OE2-NH2 3.17Å |
| 46 | I | 88.1 | Confident | 89.6 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.5 | -70.4 | 167.3 | 0 | 0 | 0 | 110.3 | E42 I43 K44 R49 Q50 | E42-I46 WeakPolarHBondContact O-CB 3.44Å; E42-I46 VanDerWaalsContact O-CG1 3.24Å; E42-I46 WeakPolarHBondContact O-CG1 3.49Å; E42-I46 PolarHBondContact O-N 3.22Å; I43-I46 PolarHBondContact O-N 2.95Å; K44-I46 VanDerWaalsContact C-N 3.34Å; K44-I46 PolarHBondContact O-N 3.46Å; I46-R49 PolarHBondContact O-N 2.76Å; I46-Q50 VanDerWaalsContact O-CB 3.31Å; I46-Q50 WeakPolarHBondContact O-CB 3.44Å; I46-Q50 PolarHBondContact O-N 3.47Å |
| 47 | K | 92.6 | Very high | 90.1 | Very high | 140 Ų | 140 | 100.8 Ų | 100.8 | 61% | 0.609 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 179 | -167 | 176.5 | -177.7 | -178.9 | 0 | 112 | I43 K44 E45 Q50 Q51 | I43-K47 VanDerWaalsContact O-CB 3.28Å; I43-K47 WeakPolarHBondContact O-CB 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å; K44-K47 PolarHBondContact O-N 2.97Å; K44-K47 VanDerWaalsContact O-N 3.15Å; E45-K47 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 3.43Å; K47-Q50 PolarHBondContact O-N 3.44Å; K47-Q51 WeakPolarHBondContact O-CB 3.45Å; K47-Q51 PolarHBondContact O-N 2.93Å |
| 48 | D | 89.9 | Confident | 90.4 | Very high | 96 Ų | 96 | 102.7 Ų | 102.7 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.9 | -67.4 | -15.6 | 0 | 0 | 0 | 110.9 | K44 E45 Q51 L52 | K44-D48 VanDerWaalsContact O-CG 3.3Å; K44-D48 PolarHBondContact O-N 3.2Å; E45-D48 PolarHBondContact O-N 3Å; D48-Q51 PolarHBondContact O-N 3.37Å; D48-L52 WeakPolarHBondContact O-CG 3.41Å; D48-L52 PolarHBondContact O-N 3.42Å |
| 49 | R | 90.9 | Very high | 90.7 | Very high | 151 Ų | 151 | 104.4 Ų | 104.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 172.2 | -73.5 | 176.6 | -163.3 | -179.6 | 11.5 | 111.9 | E45 I46 Q51 L52 I53 | E45-R49 WeakPolarHBondContact O-CB 3.49Å; E45-R49 VanDerWaalsContact O-CG 3.26Å; E45-R49 WeakPolarHBondContact O-CG 3.46Å; E45-R49 PolarHBondContact O-N 2.97Å; E45-R49 IonicContact OE2-NH2 3.71Å; E45-R49 PolarHBondContact OE2-NH2 2.74Å; E45-R49 VanDerWaalsContact OE2-NH2 3.17Å; I46-R49 PolarHBondContact O-N 2.76Å; R49-Q51 VanDerWaalsContact C-N 3.31Å; R49-Q51 PolarHBondContact O-N 2.86Å; R49-L52 PolarHBondContact O-N 3.4Å; R49-I53 VanDerWaalsContact O-CG1 3.29Å; R49-I53 WeakPolarHBondContact O-CG1 3.45Å; R49-I53 PolarHBondContact O-N 2.84Å |
| 50 | Q | 90.8 | Very high | 91.1 | Very high | 115 Ų | 115 | 102.6 Ų | 102.6 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.4 | -172 | 179.8 | 6.1 | 0 | 0 | 111 | I46 K47 I53 N54 | I46-Q50 VanDerWaalsContact O-CB 3.31Å; I46-Q50 WeakPolarHBondContact O-CB 3.44Å; I46-Q50 PolarHBondContact O-N 3.47Å; K47-Q50 PolarHBondContact O-N 3.44Å; Q50-I53 PolarHBondContact O-N 2.89Å; Q50-N54 WeakPolarHBondContact O-CB 3.36Å; Q50-N54 VanDerWaalsContact O-CG 3.25Å; Q50-N54 PolarHBondContact O-N 3.49Å; Q50-N54 PolarHBondContact O-ND2 3.17Å |
| 51 | Q | 92 | Very high | 91.3 | Very high | 109 Ų | 109 | 104.6 Ų | 104.6 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 174.4 | -173.4 | 177.7 | -21.4 | 0 | 0 | 111.4 | K47 D48 R49 I53 N54 E55 | K47-Q51 WeakPolarHBondContact O-CB 3.45Å; K47-Q51 PolarHBondContact O-N 2.93Å; D48-Q51 PolarHBondContact O-N 3.37Å; R49-Q51 VanDerWaalsContact C-N 3.31Å; R49-Q51 PolarHBondContact O-N 2.86Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.31Å; Q51-N54 PolarHBondContact O-N 2.9Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.42Å; Q51-E55 PolarHBondContact NE2-OE1 3.11Å; Q51-E55 WeakPolarHBondContact O-CB 3.41Å; Q51-E55 WeakPolarHBondContact O-CG 3.38Å; Q51-E55 PolarHBondContact O-N 3.41Å |
| 52 | L | 92.2 | Very high | 91.7 | Very high | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 175.9 | -73.2 | 169.2 | 0 | 0 | 0 | 112.5 | D48 R49 E55 S56 | D48-L52 WeakPolarHBondContact O-CG 3.41Å; D48-L52 PolarHBondContact O-N 3.42Å; R49-L52 PolarHBondContact O-N 3.4Å; L52-E55 PolarHBondContact O-N 3.36Å; L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 3.45Å; L52-S56 PolarHBondContact O-OG 3.35Å |
| 53 | I | 91.3 | Very high | 91.9 | Very high | 105 Ų | 105 | 107 Ų | 107 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 176.6 | -69.6 | 167.8 | 0 | 0 | 0 | 110.1 | R49 Q50 Q51 E55 S56 L57 | R49-I53 VanDerWaalsContact O-CG1 3.29Å; R49-I53 WeakPolarHBondContact O-CG1 3.45Å; R49-I53 PolarHBondContact O-N 2.84Å; Q50-I53 PolarHBondContact O-N 2.89Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.31Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 2.88Å; I53-S56 WeakPolarHBondContact CA-OG 3.46Å; I53-S56 PolarHBondContact O-N 3.47Å; I53-S56 VanDerWaalsContact O-N 3.14Å; I53-S56 PolarHBondContact O-OG 2.91Å; I53-L57 WeakPolarHBondContact O-CB 3.47Å; I53-L57 PolarHBondContact O-N 3.33Å |
| 54 | N | 93 | Very high | 92.2 | Very high | 86 Ų | 86 | 106.4 Ų | 106.4 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177 | -74.8 | -20.6 | 0 | 0 | 0 | 111.9 | Q50 Q51 S56 L57 Q58 | Q50-N54 WeakPolarHBondContact O-CB 3.36Å; Q50-N54 VanDerWaalsContact O-CG 3.25Å; Q50-N54 PolarHBondContact O-N 3.49Å; Q50-N54 PolarHBondContact O-ND2 3.17Å; Q51-N54 PolarHBondContact O-N 2.9Å; N54-S56 VanDerWaalsContact C-N 3.32Å; N54-S56 PolarHBondContact O-N 3.43Å; N54-L57 PolarHBondContact O-N 3.22Å; N54-Q58 VanDerWaalsContact O-CB 3.29Å; N54-Q58 WeakPolarHBondContact O-CB 3.48Å; N54-Q58 PolarHBondContact O-N 3.49Å |
| 55 | E | 92.6 | Very high | 92.5 | Very high | 77 Ų | 77 | 103.5 Ų | 103.5 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 175 | -72.7 | 173.6 | -168.6 | 0 | 0 | 112.2 | Q51 L52 I53 R59 | Q51-E55 WeakPolarHBondContact CG-OE1 3.42Å; Q51-E55 PolarHBondContact NE2-OE1 3.11Å; Q51-E55 WeakPolarHBondContact O-CB 3.41Å; Q51-E55 WeakPolarHBondContact O-CG 3.38Å; Q51-E55 PolarHBondContact O-N 3.41Å; L52-E55 PolarHBondContact O-N 3.36Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 2.88Å; E55-R59 WeakPolarHBondContact O-CB 3.48Å; E55-R59 VanDerWaalsContact O-CG 3.3Å; E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 3.33Å; E55-R59 PolarHBondContact O-NE 2.89Å |
| 56 | S | 91.4 | Very high | 92.7 | Very high | 55 Ų | 55 | 102.2 Ų | 102.2 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.4 | -37.5 | 175.7 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | L52 I53 N54 R59 S60 | L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 3.45Å; L52-S56 PolarHBondContact O-OG 3.35Å; I53-S56 WeakPolarHBondContact CA-OG 3.46Å; I53-S56 PolarHBondContact O-N 3.47Å; I53-S56 VanDerWaalsContact O-N 3.14Å; I53-S56 PolarHBondContact O-OG 2.91Å; N54-S56 VanDerWaalsContact C-N 3.32Å; N54-S56 PolarHBondContact O-N 3.43Å; S56-R59 PolarHBondContact O-N 3.42Å; S56-S60 WeakPolarHBondContact O-CB 3.42Å; S56-S60 PolarHBondContact O-N 2.89Å |
| 57 | L | 93.3 | Very high | 93 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 172.6 | -176.7 | 66.3 | 0 | 0 | 0 | 110.8 | I53 N54 S60 T61 | I53-L57 WeakPolarHBondContact O-CB 3.47Å; I53-L57 PolarHBondContact O-N 3.33Å; N54-L57 PolarHBondContact O-N 3.22Å; L57-S60 PolarHBondContact O-N 3.34Å; L57-T61 HydrophobicContact CD1-CG2 4.34Å; L57-T61 HydrophobicContact CG-CG2 4.41Å; L57-T61 WeakPolarHBondContact O-CB 3.42Å; L57-T61 VanDerWaalsContact O-CG2 3.31Å; L57-T61 WeakPolarHBondContact O-CG2 3.31Å; L57-T61 PolarHBondContact O-N 3.12Å; L57-T61 PolarHBondContact O-OG1 2.88Å |
| 58 | Q | 94.5 | Very high | 93.2 | Very high | 141 Ų | 141 | 98.1 Ų | 98.1 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 174.2 | -170.4 | 177.9 | 0.8 | 0 | 0 | 111.1 | N54 T61 Q62 | N54-Q58 VanDerWaalsContact O-CB 3.29Å; N54-Q58 WeakPolarHBondContact O-CB 3.48Å; N54-Q58 PolarHBondContact O-N 3.49Å; Q58-T61 VanDerWaalsContact CA-OG1 3.31Å; Q58-T61 WeakPolarHBondContact CA-OG1 3.39Å; Q58-T61 PolarHBondContact O-OG1 3.12Å; Q58-Q62 VanDerWaalsContact O-CB 3.3Å; Q58-Q62 WeakPolarHBondContact O-CB 3.33Å; Q58-Q62 PolarHBondContact O-N 3.45Å |
| 59 | R | 94.4 | Very high | 93.4 | Very high | 148 Ų | 148 | 97.3 Ų | 97.3 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 172.4 | -79.8 | -179.7 | -82.1 | 166.5 | -11.4 | 112.1 | E55 S56 Q62 Q63 | E55-R59 WeakPolarHBondContact O-CB 3.48Å; E55-R59 VanDerWaalsContact O-CG 3.3Å; E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 3.33Å; E55-R59 PolarHBondContact O-NE 2.89Å; S56-R59 PolarHBondContact O-N 3.42Å; R59-Q62 PolarHBondContact O-N 3.5Å; R59-Q63 WeakPolarHBondContact O-CB 3.45Å; R59-Q63 VanDerWaalsContact O-CG 3.26Å; R59-Q63 WeakPolarHBondContact O-CG 3.38Å; R59-Q63 PolarHBondContact O-N 3.47Å |
| 60 | S | 93.4 | Very high | 93.6 | Very high | 66 Ų | 66 | 95.3 Ų | 95.3 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | -179.3 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | S56 L57 Q63 L64 | S56-S60 WeakPolarHBondContact O-CB 3.42Å; S56-S60 PolarHBondContact O-N 2.89Å; L57-S60 PolarHBondContact O-N 3.34Å; S60-Q63 WeakPolarHBondContact O-CB 3.34Å; S60-Q63 PolarHBondContact O-N 2.99Å; S60-L64 PolarHBondContact O-N 2.82Å |
| 61 | T | 94 | Very high | 93.9 | Very high | 69 Ų | 69 | 94.8 Ų | 94.8 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 174.6 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | L57 Q58 Q63 L64 V65 | L57-T61 HydrophobicContact CD1-CG2 4.34Å; L57-T61 HydrophobicContact CG-CG2 4.41Å; L57-T61 WeakPolarHBondContact O-CB 3.42Å; L57-T61 VanDerWaalsContact O-CG2 3.31Å; L57-T61 WeakPolarHBondContact O-CG2 3.31Å; L57-T61 PolarHBondContact O-N 3.12Å; L57-T61 PolarHBondContact O-OG1 2.88Å; Q58-T61 VanDerWaalsContact CA-OG1 3.31Å; Q58-T61 WeakPolarHBondContact CA-OG1 3.39Å; Q58-T61 PolarHBondContact O-OG1 3.12Å; T61-Q63 VanDerWaalsContact C-N 3.33Å; T61-Q63 PolarHBondContact O-N 3.39Å; T61-L64 PolarHBondContact O-N 3.46Å; T61-V65 WeakPolarHBondContact O-CG2 3.41Å; T61-V65 PolarHBondContact O-N 2.88Å |
| 62 | Q | 94.6 | Very high | 94.1 | Very high | 104 Ų | 104 | 95.2 Ų | 95.2 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 173 | -173 | 62.1 | 52.9 | 0 | 0 | 111.8 | Q58 R59 V65 N66 | Q58-Q62 VanDerWaalsContact O-CB 3.3Å; Q58-Q62 WeakPolarHBondContact O-CB 3.33Å; Q58-Q62 PolarHBondContact O-N 3.45Å; R59-Q62 PolarHBondContact O-N 3.5Å; Q62-V65 PolarHBondContact O-N 3.07Å; Q62-N66 PolarHBondContact NE2-OD1 2.94Å; Q62-N66 WeakPolarHBondContact O-CB 3.48Å; Q62-N66 PolarHBondContact O-N 3.26Å; Q62-N66 PolarHBondContact O-ND2 3.46Å; Q62-N66 PolarHBondContact O-OD1 3.5Å |
| 63 | Q | 93.8 | Very high | 94.2 | Very high | 126 Ų | 126 | 92.3 Ų | 92.3 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.5 | -43.5 | 174.2 | -78.9 | 176.2 | -10.2 | 0 | 0 | 111.9 | R59 S60 T61 N66 T67 | R59-Q63 WeakPolarHBondContact O-CB 3.45Å; R59-Q63 VanDerWaalsContact O-CG 3.26Å; R59-Q63 WeakPolarHBondContact O-CG 3.38Å; R59-Q63 PolarHBondContact O-N 3.47Å; S60-Q63 WeakPolarHBondContact O-CB 3.34Å; S60-Q63 PolarHBondContact O-N 2.99Å; T61-Q63 VanDerWaalsContact C-N 3.33Å; T61-Q63 PolarHBondContact O-N 3.39Å; Q63-N66 PolarHBondContact O-N 2.77Å; Q63-T67 WeakPolarHBondContact O-CG2 3.39Å; Q63-T67 PolarHBondContact O-N 3.39Å; Q63-T67 PolarHBondContact O-OG1 3.43Å |
| 64 | L | 94.3 | Very high | 94.4 | Very high | 98 Ų | 98 | 91.4 Ų | 91.4 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177 | -175.5 | 69.9 | 0 | 0 | 0 | 111.6 | S60 T61 N66 T67 E68 | S60-L64 PolarHBondContact O-N 2.82Å; T61-L64 PolarHBondContact O-N 3.46Å; L64-N66 VanDerWaalsContact C-N 3.3Å; L64-N66 PolarHBondContact O-N 2.95Å; L64-T67 WeakPolarHBondContact CA-OG1 3.5Å; L64-T67 PolarHBondContact O-N 3.41Å; L64-T67 PolarHBondContact O-OG1 2.86Å; L64-E68 WeakPolarHBondContact O-CB 3.25Å; L64-E68 WeakPolarHBondContact O-CG 3.47Å; L64-E68 PolarHBondContact O-N 3.49Å |
| 65 | V | 95.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 93.1 Ų | 93.1 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | T61 Q62 E68 T69 | T61-V65 WeakPolarHBondContact O-CG2 3.41Å; T61-V65 PolarHBondContact O-N 2.88Å; Q62-V65 PolarHBondContact O-N 3.07Å; V65-E68 PolarHBondContact O-N 2.85Å; V65-T69 VanDerWaalsContact O-CG2 3.32Å; V65-T69 WeakPolarHBondContact O-CG2 3.5Å; V65-T69 PolarHBondContact O-N 2.93Å; V65-T69 PolarHBondContact O-OG1 3.26Å |
| 66 | N | 94.8 | Very high | 94.7 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 176.4 | -69.3 | -5.5 | 0 | 0 | 0 | 111.8 | Q62 Q63 L64 T69 L70 | Q62-N66 PolarHBondContact NE2-OD1 2.94Å; Q62-N66 WeakPolarHBondContact O-CB 3.48Å; Q62-N66 PolarHBondContact O-N 3.26Å; Q62-N66 PolarHBondContact O-ND2 3.46Å; Q62-N66 PolarHBondContact O-OD1 3.5Å; Q63-N66 PolarHBondContact O-N 2.77Å; L64-N66 VanDerWaalsContact C-N 3.3Å; L64-N66 PolarHBondContact O-N 2.95Å; N66-T69 WeakPolarHBondContact CA-OG1 3.39Å; N66-T69 PolarHBondContact O-OG1 3.28Å; N66-L70 VanDerWaalsContact O-CG 3.31Å; N66-L70 WeakPolarHBondContact O-CG 3.5Å; N66-L70 PolarHBondContact O-N 2.92Å; N66-L70 VanDerWaalsContact O-N 3.08Å |
| 67 | T | 94.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 99.6 Ų | 99.6 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.1 | -39 | 177.4 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | Q63 L64 T69 L70 L71 | Q63-T67 WeakPolarHBondContact O-CG2 3.39Å; Q63-T67 PolarHBondContact O-N 3.39Å; Q63-T67 PolarHBondContact O-OG1 3.43Å; L64-T67 WeakPolarHBondContact CA-OG1 3.5Å; L64-T67 PolarHBondContact O-N 3.41Å; L64-T67 PolarHBondContact O-OG1 2.86Å; T67-T69 VanDerWaalsContact C-N 3.35Å; T67-T69 PolarHBondContact O-N 3.31Å; T67-L70 PolarHBondContact O-N 3.05Å; T67-L71 WeakPolarHBondContact O-CG 3.43Å; T67-L71 PolarHBondContact O-N 2.88Å |
| 68 | E | 95.3 | Very high | 95 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 174.6 | -77.1 | -177.9 | -176.2 | 0 | 0 | 112.4 | L64 V65 L71 K72 | L64-E68 WeakPolarHBondContact O-CB 3.25Å; L64-E68 WeakPolarHBondContact O-CG 3.47Å; L64-E68 PolarHBondContact O-N 3.49Å; V65-E68 PolarHBondContact O-N 2.85Å; E68-L71 PolarHBondContact O-N 2.89Å; E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 3.46Å |
| 69 | T | 95.3 | Very high | 95 | Very high | 79 Ų | 79 | 98.7 Ų | 98.7 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | V65 N66 T67 K72 A73 | V65-T69 VanDerWaalsContact O-CG2 3.32Å; V65-T69 WeakPolarHBondContact O-CG2 3.5Å; V65-T69 PolarHBondContact O-N 2.93Å; V65-T69 PolarHBondContact O-OG1 3.26Å; N66-T69 WeakPolarHBondContact CA-OG1 3.39Å; N66-T69 PolarHBondContact O-OG1 3.28Å; T67-T69 VanDerWaalsContact C-N 3.35Å; T67-T69 PolarHBondContact O-N 3.31Å; T69-K72 PolarHBondContact O-N 2.9Å; T69-A73 WeakPolarHBondContact O-CB 3.47Å; T69-A73 PolarHBondContact O-N 3.08Å |
| 70 | L | 95.7 | Very high | 95.1 | Very high | 108 Ų | 108 | 95.6 Ų | 95.6 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 172.1 | -74.8 | 170.9 | 0 | 0 | 0 | 112.5 | N66 T67 A73 N74 | N66-L70 VanDerWaalsContact O-CG 3.31Å; N66-L70 WeakPolarHBondContact O-CG 3.5Å; N66-L70 PolarHBondContact O-N 2.92Å; N66-L70 VanDerWaalsContact O-N 3.08Å; T67-L70 PolarHBondContact O-N 3.05Å; L70-A73 WeakPolarHBondContact O-CB 3.41Å; L70-A73 PolarHBondContact O-N 3.18Å; L70-N74 WeakPolarHBondContact O-CB 3.48Å; L70-N74 PolarHBondContact O-N 3.26Å |
| 71 | L | 95.4 | Very high | 95.3 | Very high | 104 Ų | 104 | 96.1 Ų | 96.1 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.2 | -76 | 173.2 | 0 | 0 | 0 | 111.2 | T67 E68 A73 N74 E75 | T67-L71 WeakPolarHBondContact O-CG 3.43Å; T67-L71 PolarHBondContact O-N 2.88Å; E68-L71 PolarHBondContact O-N 2.89Å; L71-A73 VanDerWaalsContact C-N 3.27Å; L71-A73 PolarHBondContact O-N 2.91Å; L71-N74 PolarHBondContact O-N 2.98Å; L71-E75 WeakPolarHBondContact O-CG 3.4Å; L71-E75 PolarHBondContact O-N 2.92Å |
| 72 | K | 96 | Very high | 95.4 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -34.2 | 175.4 | -73.3 | 172.6 | -178.8 | 167.5 | 0 | 112.6 | E68 T69 K76 | E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 3.46Å; T69-K72 PolarHBondContact O-N 2.9Å; K72-K76 WeakPolarHBondContact O-CG 3.33Å; K72-K76 PolarHBondContact O-N 3.41Å |
| 73 | A | 95.5 | Very high | 95.5 | Very high | 42 Ų | 42 | 99.1 Ų | 99.1 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -47 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T69 L70 L71 E75 K76 E77 | T69-A73 WeakPolarHBondContact O-CB 3.47Å; T69-A73 PolarHBondContact O-N 3.08Å; L70-A73 WeakPolarHBondContact O-CB 3.41Å; L70-A73 PolarHBondContact O-N 3.18Å; L71-A73 VanDerWaalsContact C-N 3.27Å; L71-A73 PolarHBondContact O-N 2.91Å; A73-E75 VanDerWaalsContact C-N 3.33Å; A73-E75 PolarHBondContact O-N 2.86Å; A73-K76 WeakPolarHBondContact O-CB 3.35Å; A73-K76 PolarHBondContact O-N 3.27Å; A73-E77 WeakPolarHBondContact O-CG 3.49Å; A73-E77 PolarHBondContact O-N 3.41Å |
| 74 | N | 95.6 | Very high | 95.6 | Very high | 87 Ų | 87 | 97.8 Ų | 97.8 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 177 | -72.3 | -11.7 | 0 | 0 | 0 | 112.7 | L70 L71 E77 L78 | L70-N74 WeakPolarHBondContact O-CB 3.48Å; L70-N74 PolarHBondContact O-N 3.26Å; L71-N74 PolarHBondContact O-N 2.98Å; N74-E77 PolarHBondContact O-N 3.45Å; N74-L78 WeakPolarHBondContact O-CB 3.4Å; N74-L78 PolarHBondContact O-N 2.9Å |
| 75 | E | 95.6 | Very high | 95.8 | Very high | 121 Ų | 121 | 99.5 Ų | 99.5 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -46.1 | 173.8 | -76.5 | 174.5 | 168.4 | 0 | 0 | 111.3 | L71 A73 E77 L78 E79 | L71-E75 WeakPolarHBondContact O-CG 3.4Å; L71-E75 PolarHBondContact O-N 2.92Å; A73-E75 VanDerWaalsContact C-N 3.33Å; A73-E75 PolarHBondContact O-N 2.86Å; E75-E77 PolarHBondContact O-N 3.31Å; E75-L78 WeakPolarHBondContact O-CB 3.5Å; E75-L78 PolarHBondContact O-N 3.27Å; E75-E79 WeakPolarHBondContact O-CG 3.46Å; E75-E79 PolarHBondContact O-N 3.4Å |
| 76 | K | 95.4 | Very high | 95.8 | Very high | 145 Ų | 145 | 98.7 Ų | 98.7 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 174.9 | -70.7 | 176.3 | -179.2 | -178 | 0 | 111.9 | K72 A73 L78 E79 V80 | K72-K76 WeakPolarHBondContact O-CG 3.33Å; K72-K76 PolarHBondContact O-N 3.41Å; A73-K76 WeakPolarHBondContact O-CB 3.35Å; A73-K76 PolarHBondContact O-N 3.27Å; K76-L78 VanDerWaalsContact C-N 3.31Å; K76-L78 PolarHBondContact O-N 2.98Å; K76-E79 PolarHBondContact O-N 3.35Å; K76-V80 WeakPolarHBondContact O-CG2 3.47Å; K76-V80 PolarHBondContact O-N 2.81Å |
| 77 | E | 94.5 | Very high | 95.9 | Very high | 123 Ų | 123 | 98.8 Ų | 98.8 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -38.7 | 174 | -72.4 | -176.9 | -178.3 | 0 | 0 | 111.8 | A73 N74 E75 E79 V80 T81 | A73-E77 WeakPolarHBondContact O-CG 3.49Å; A73-E77 PolarHBondContact O-N 3.41Å; N74-E77 PolarHBondContact O-N 3.45Å; E75-E77 PolarHBondContact O-N 3.31Å; E77-E79 PolarHBondContact O-N 2.9Å; E77-V80 PolarHBondContact O-N 3.47Å; E77-T81 WeakPolarHBondContact O-CG2 3.37Å; E77-T81 PolarHBondContact O-N 3.05Å; E77-T81 PolarHBondContact O-OG1 3.48Å; E77-T81 VanDerWaalsContact O-OG1 3.07Å |
| 78 | L | 96.1 | Very high | 96 | Very high | 93 Ų | 93 | 98.2 Ų | 98.2 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 174.6 | -174.5 | 67.4 | 0 | 0 | 0 | 111.9 | N74 E75 K76 T81 K82 | N74-L78 WeakPolarHBondContact O-CB 3.4Å; N74-L78 PolarHBondContact O-N 2.9Å; E75-L78 WeakPolarHBondContact O-CB 3.5Å; E75-L78 PolarHBondContact O-N 3.27Å; K76-L78 VanDerWaalsContact C-N 3.31Å; K76-L78 PolarHBondContact O-N 2.98Å; L78-T81 VanDerWaalsContact CA-OG1 3.3Å; L78-T81 WeakPolarHBondContact CA-OG1 3.34Å; L78-T81 PolarHBondContact O-OG1 2.86Å; L78-K82 WeakPolarHBondContact O-CB 3.49Å; L78-K82 VanDerWaalsContact O-CG 3.27Å; L78-K82 WeakPolarHBondContact O-CG 3.29Å; L78-K82 PolarHBondContact O-N 3.22Å |
| 79 | E | 96 | Very high | 96.1 | Very high | 131 Ų | 131 | 98.2 Ų | 98.2 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 173.8 | -71.1 | 176.8 | 175.8 | 0 | 0 | 111.8 | E75 K76 E77 K82 H83 | E75-E79 WeakPolarHBondContact O-CG 3.46Å; E75-E79 PolarHBondContact O-N 3.4Å; K76-E79 PolarHBondContact O-N 3.35Å; E77-E79 PolarHBondContact O-N 2.9Å; E79-K82 PolarHBondContact O-N 2.86Å; E79-H83 PolarHBondContact O-N 3.16Å |
| 80 | V | 96.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 102.5 Ų | 102.5 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111 | K76 E77 K82 H83 L84 | K76-V80 WeakPolarHBondContact O-CG2 3.47Å; K76-V80 PolarHBondContact O-N 2.81Å; E77-V80 PolarHBondContact O-N 3.47Å; V80-K82 PolarHBondContact O-N 3.18Å; V80-H83 PolarHBondContact O-N 2.85Å; V80-L84 HydrophobicContact CG1-CD1 4Å; V80-L84 HydrophobicContact CG1-CG 4.33Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 3.17Å |
| 81 | T | 95.9 | Very high | 96.1 | Very high | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 178.1 | 53 | 0 | 0 | 0 | 0 | 112.3 | E77 L78 L84 K85 | E77-T81 WeakPolarHBondContact O-CG2 3.37Å; E77-T81 PolarHBondContact O-N 3.05Å; E77-T81 PolarHBondContact O-OG1 3.48Å; E77-T81 VanDerWaalsContact O-OG1 3.07Å; L78-T81 VanDerWaalsContact CA-OG1 3.3Å; L78-T81 WeakPolarHBondContact CA-OG1 3.34Å; L78-T81 PolarHBondContact O-OG1 2.86Å; T81-L84 PolarHBondContact O-N 2.85Å; T81-K85 WeakPolarHBondContact O-CB 3.34Å; T81-K85 PolarHBondContact O-N 3.2Å |
| 82 | K | 96.9 | Very high | 96.1 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 170.9 | -76.2 | 170.9 | -178.5 | 172 | 0 | 111.2 | L78 E79 V80 K85 T86 | L78-K82 WeakPolarHBondContact O-CB 3.49Å; L78-K82 VanDerWaalsContact O-CG 3.27Å; L78-K82 WeakPolarHBondContact O-CG 3.29Å; L78-K82 PolarHBondContact O-N 3.22Å; E79-K82 PolarHBondContact O-N 2.86Å; V80-K82 PolarHBondContact O-N 3.18Å; K82-K85 PolarHBondContact O-N 3.16Å; K82-T86 WeakPolarHBondContact O-CG2 3.4Å; K82-T86 PolarHBondContact O-N 3.43Å |
| 83 | H | 96.6 | Very high | 96.2 | Very high | 112 Ų | 112 | 100.5 Ų | 100.5 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 176.9 | 177 | -88.7 | 0 | 0 | 0 | 111.6 | E79 V80 K85 T86 L87 | E79-H83 PolarHBondContact O-N 3.16Å; V80-H83 PolarHBondContact O-N 2.85Å; H83-K85 VanDerWaalsContact C-N 3.29Å; H83-K85 PolarHBondContact O-N 2.96Å; H83-T86 PolarHBondContact O-N 2.87Å; H83-T86 VanDerWaalsContact O-N 3.15Å; H83-T86 PolarHBondContact O-OG1 2.67Å; H83-L87 PolarHBondContact O-N 3.29Å |
| 84 | L | 96.9 | Very high | 96.3 | Very high | 98 Ų | 98 | 105.2 Ų | 105.2 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.1 | -72 | 174.5 | 0 | 0 | 0 | 112.2 | V80 T81 L87 A88 | V80-L84 HydrophobicContact CG1-CD1 4Å; V80-L84 HydrophobicContact CG1-CG 4.33Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 3.17Å; T81-L84 PolarHBondContact O-N 2.85Å; L84-L87 PolarHBondContact O-N 2.81Å; L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 3.24Å |
| 85 | K | 96.9 | Very high | 96.3 | Very high | 133 Ų | 133 | 107.9 Ų | 107.9 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -48.6 | 173.9 | 180 | 177.7 | 171.6 | 179.7 | 0 | 111.5 | T81 K82 H83 L87 A88 E89 | T81-K85 WeakPolarHBondContact O-CB 3.34Å; T81-K85 PolarHBondContact O-N 3.2Å; K82-K85 PolarHBondContact O-N 3.16Å; H83-K85 VanDerWaalsContact C-N 3.29Å; H83-K85 PolarHBondContact O-N 2.96Å; K85-L87 VanDerWaalsContact C-N 3.25Å; K85-L87 PolarHBondContact O-N 3.45Å; K85-A88 PolarHBondContact O-N 2.94Å; K85-A88 VanDerWaalsContact O-N 3.16Å; K85-E89 WeakPolarHBondContact CE-OE1 3.33Å; K85-E89 IonicContact NZ-OE1 3.17Å; K85-E89 WeakPolarHBondContact O-CG 3.32Å; K85-E89 PolarHBondContact O-N 3.41Å |
| 86 | T | 96.8 | Very high | 96.4 | Very high | 57 Ų | 57 | 105.2 Ų | 105.2 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 177.9 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | K82 H83 R90 | K82-T86 WeakPolarHBondContact O-CG2 3.4Å; K82-T86 PolarHBondContact O-N 3.43Å; H83-T86 PolarHBondContact O-N 2.87Å; H83-T86 VanDerWaalsContact O-N 3.15Å; H83-T86 PolarHBondContact O-OG1 2.67Å; T86-R90 VanDerWaalsContact O-CG 3.28Å; T86-R90 WeakPolarHBondContact O-CG 3.5Å; T86-R90 PolarHBondContact O-N 3.35Å; T86-R90 VanDerWaalsContact O-N 3.08Å |
| 87 | L | 96.9 | Very high | 96.4 | Very high | 78 Ų | 78 | 105 Ų | 105 | 41% | 0.408 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 174.8 | -171 | 69.5 | 0 | 0 | 0 | 111.1 | H83 L84 K85 R90 E91 | H83-L87 PolarHBondContact O-N 3.29Å; L84-L87 PolarHBondContact O-N 2.81Å; K85-L87 VanDerWaalsContact C-N 3.25Å; K85-L87 PolarHBondContact O-N 3.45Å; L87-R90 PolarHBondContact O-N 2.95Å; L87-E91 PolarHBondContact O-N 3.2Å |
| 88 | A | 95.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 103.2 Ų | 103.2 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L84 K85 E91 Q92 | L84-A88 WeakPolarHBondContact O-CB 3.46Å; L84-A88 PolarHBondContact O-N 3.24Å; K85-A88 PolarHBondContact O-N 2.94Å; K85-A88 VanDerWaalsContact O-N 3.16Å; A88-E91 PolarHBondContact O-N 3.28Å; A88-Q92 WeakPolarHBondContact O-CB 3.32Å; A88-Q92 PolarHBondContact O-N 3.34Å |
| 89 | E | 96.9 | Very high | 96.6 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175 | -73 | 170.6 | 171.2 | 0 | 0 | 111.4 | K85 E91 Q92 D93 | K85-E89 WeakPolarHBondContact CE-OE1 3.33Å; K85-E89 IonicContact NZ-OE1 3.17Å; K85-E89 WeakPolarHBondContact O-CG 3.32Å; K85-E89 PolarHBondContact O-N 3.41Å; E89-E91 PolarHBondContact O-N 3.45Å; E89-Q92 WeakPolarHBondContact O-CB 3.34Å; E89-Q92 PolarHBondContact O-N 2.99Å; E89-D93 PolarHBondContact O-N 3.08Å |
| 90 | R | 96.6 | Very high | 96.6 | Very high | 169 Ų | 169 | 98.7 Ų | 98.7 | 64% | 0.638 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 175.7 | -74.2 | 173.7 | -175.8 | 176.7 | 3.2 | 112.7 | T86 L87 D93 R94 | T86-R90 VanDerWaalsContact O-CG 3.28Å; T86-R90 WeakPolarHBondContact O-CG 3.5Å; T86-R90 PolarHBondContact O-N 3.35Å; T86-R90 VanDerWaalsContact O-N 3.08Å; L87-R90 PolarHBondContact O-N 2.95Å; R90-D93 PolarHBondContact O-N 3.48Å; R90-R94 WeakPolarHBondContact O-CB 3.27Å; R90-R94 PolarHBondContact O-N 2.88Å |
| 91 | E | 94.6 | Very high | 96.6 | Very high | 66 Ų | 66 | 99.7 Ų | 99.7 | 31% | 0.308 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 176.1 | -73 | -59.9 | 141.4 | 0 | 0 | 111.3 | L87 A88 E89 D93 R94 Y95 | L87-E91 PolarHBondContact O-N 3.2Å; A88-E91 PolarHBondContact O-N 3.28Å; E89-E91 PolarHBondContact O-N 3.45Å; E91-D93 PolarHBondContact O-N 2.91Å; E91-R94 WeakPolarHBondContact O-CB 3.46Å; E91-R94 PolarHBondContact O-N 3.49Å; E91-R94 IonicContact OE1-NH1 3.41Å; E91-R94 IonicContact OE2-NH1 2.7Å; E91-Y95 HydrophobicContact CB-CD2 4.47Å; E91-Y95 HydrophobicContact CB-CE2 4.21Å; E91-Y95 WeakPolarHBondContact O-CD2 3.49Å; E91-Y95 PolarHBondContact O-N 3.32Å |
| 92 | Q | 96.6 | Very high | 96.7 | Very high | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.9 | -44.2 | 173.3 | -179.6 | 179.5 | -5.2 | 0 | 0 | 111.9 | A88 E89 Y95 S96 | A88-Q92 WeakPolarHBondContact O-CB 3.32Å; A88-Q92 PolarHBondContact O-N 3.34Å; E89-Q92 WeakPolarHBondContact O-CB 3.34Å; E89-Q92 PolarHBondContact O-N 2.99Å; Q92-Y95 PolarHBondContact O-N 2.97Å; Q92-S96 WeakPolarHBondContact O-CB 3.31Å; Q92-S96 PolarHBondContact O-N 3.36Å; Q92-S96 PolarHBondContact O-OG 3.37Å |
| 93 | D | 96.9 | Very high | 96.6 | Very high | 97 Ų | 97 | 96 Ų | 96 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.3 | -74.6 | -21.8 | 0 | 0 | 0 | 111.3 | E89 R90 E91 S96 Q97 | E89-D93 PolarHBondContact O-N 3.08Å; R90-D93 PolarHBondContact O-N 3.48Å; E91-D93 PolarHBondContact O-N 2.91Å; D93-S96 PolarHBondContact O-N 3.37Å; D93-Q97 WeakPolarHBondContact O-CG 3.49Å; D93-Q97 PolarHBondContact O-N 2.84Å |
| 94 | R | 97.5 | Very high | 96.7 | Very high | 141 Ų | 141 | 98 Ų | 98 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 174.9 | -178.4 | -173 | 174.7 | -172.2 | -0.5 | 111.5 | R90 E91 S96 Q97 L98 | R90-R94 WeakPolarHBondContact O-CB 3.27Å; R90-R94 PolarHBondContact O-N 2.88Å; E91-R94 WeakPolarHBondContact O-CB 3.46Å; E91-R94 PolarHBondContact O-N 3.49Å; E91-R94 IonicContact OE1-NH1 3.41Å; E91-R94 IonicContact OE2-NH1 2.7Å; R94-S96 VanDerWaalsContact C-N 3.32Å; R94-S96 PolarHBondContact O-N 3.32Å; R94-Q97 PolarHBondContact O-N 2.86Å; R94-L98 HydrophobicContact CG-CD1 4.33Å; R94-L98 WeakPolarHBondContact O-CG 3.48Å; R94-L98 PolarHBondContact O-N 2.86Å |
| 95 | Y | 96.4 | Very high | 96.7 | Very high | 143 Ų | 143 | 98.4 Ų | 98.4 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 176.4 | -73 | -57.5 | 0 | 0 | 0 | 111.5 | E91 Q92 Q97 L98 T99 | E91-Y95 HydrophobicContact CB-CD2 4.47Å; E91-Y95 HydrophobicContact CB-CE2 4.21Å; E91-Y95 WeakPolarHBondContact O-CD2 3.49Å; E91-Y95 PolarHBondContact O-N 3.32Å; Q92-Y95 PolarHBondContact O-N 2.97Å; Y95-Q97 VanDerWaalsContact C-N 3.31Å; Y95-Q97 PolarHBondContact O-N 3.49Å; Y95-L98 PolarHBondContact O-N 3.46Å; Y95-T99 WeakPolarHBondContact O-CB 3.42Å; Y95-T99 PolarHBondContact O-N 2.91Å; Y95-T99 PolarHBondContact O-OG1 3.46Å |
| 96 | S | 97.1 | Very high | 96.7 | Very high | 66 Ų | 66 | 96.2 Ų | 96.2 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 177.2 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | Q92 D93 R94 A100 | Q92-S96 WeakPolarHBondContact O-CB 3.31Å; Q92-S96 PolarHBondContact O-N 3.36Å; Q92-S96 PolarHBondContact O-OG 3.37Å; D93-S96 PolarHBondContact O-N 3.37Å; R94-S96 VanDerWaalsContact C-N 3.32Å; R94-S96 PolarHBondContact O-N 3.32Å; S96-A100 WeakPolarHBondContact O-CB 3.48Å; S96-A100 PolarHBondContact O-N 3.41Å |
| 97 | Q | 96.7 | Very high | 96.7 | Very high | 139 Ų | 139 | 100.2 Ų | 100.2 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.5 | -45.4 | 174.2 | -70.7 | 174.2 | 18.9 | 0 | 0 | 112.1 | D93 R94 Y95 T99 A100 Q101 | D93-Q97 WeakPolarHBondContact O-CG 3.49Å; D93-Q97 PolarHBondContact O-N 2.84Å; R94-Q97 PolarHBondContact O-N 2.86Å; Y95-Q97 VanDerWaalsContact C-N 3.31Å; Y95-Q97 PolarHBondContact O-N 3.49Å; Q97-T99 PolarHBondContact O-N 3.22Å; Q97-A100 PolarHBondContact O-N 3.24Å; Q97-Q101 PolarHBondContact O-N 2.9Å |
| 98 | L | 96.9 | Very high | 96.7 | Very high | 87 Ų | 87 | 98.7 Ų | 98.7 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.8 | -71.8 | 172.9 | 0 | 0 | 0 | 111.7 | R94 Y95 Q101 A102 | R94-L98 HydrophobicContact CG-CD1 4.33Å; R94-L98 WeakPolarHBondContact O-CG 3.48Å; R94-L98 PolarHBondContact O-N 2.86Å; Y95-L98 PolarHBondContact O-N 3.46Å; L98-Q101 PolarHBondContact O-N 3.48Å; L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.82Å |
| 99 | T | 96.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 99.2 Ų | 99.2 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | Y95 Q97 Q101 A102 N103 | Y95-T99 WeakPolarHBondContact O-CB 3.42Å; Y95-T99 PolarHBondContact O-N 2.91Å; Y95-T99 PolarHBondContact O-OG1 3.46Å; Q97-T99 PolarHBondContact O-N 3.22Å; T99-Q101 VanDerWaalsContact C-N 3.35Å; T99-A102 PolarHBondContact O-N 2.92Å; T99-N103 WeakPolarHBondContact O-CB 3.45Å; T99-N103 VanDerWaalsContact O-CG 3.26Å; T99-N103 PolarHBondContact O-N 3.4Å; T99-N103 PolarHBondContact O-ND2 3.27Å |
| 100 | A | 96.9 | Very high | 96.7 | Very high | 47 Ų | 47 | 101.7 Ų | 101.7 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S96 Q97 K104 | S96-A100 WeakPolarHBondContact O-CB 3.48Å; S96-A100 PolarHBondContact O-N 3.41Å; Q97-A100 PolarHBondContact O-N 3.24Å; A100-K104 WeakPolarHBondContact O-CG 3.29Å; A100-K104 PolarHBondContact O-N 2.89Å; A100-K104 VanDerWaalsContact O-N 3.08Å |
| 101 | Q | 97.2 | Very high | 96.7 | Very high | 104 Ų | 104 | 98.6 Ų | 98.6 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -50.6 | 174.5 | -177.5 | 178.2 | -12.2 | 0 | 0 | 111.3 | Q97 L98 T99 N103 K104 E105 | Q97-Q101 PolarHBondContact O-N 2.9Å; L98-Q101 PolarHBondContact O-N 3.48Å; T99-Q101 VanDerWaalsContact C-N 3.35Å; Q101-N103 VanDerWaalsContact C-N 3.29Å; Q101-N103 PolarHBondContact O-N 2.91Å; Q101-K104 WeakPolarHBondContact O-CB 3.49Å; Q101-K104 PolarHBondContact O-N 2.92Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.42Å; Q101-E105 PolarHBondContact NE2-OE1 3.45Å; Q101-E105 PolarHBondContact O-N 2.83Å |
| 102 | A | 96.2 | Very high | 96.8 | Very high | 41 Ų | 41 | 101.6 Ų | 101.6 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L98 T99 K104 E105 I106 | L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.82Å; T99-A102 PolarHBondContact O-N 2.92Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.41Å; A102-E105 PolarHBondContact O-N 2.79Å; A102-I106 WeakPolarHBondContact O-CB 3.5Å; A102-I106 VanDerWaalsContact O-CG1 3.26Å; A102-I106 WeakPolarHBondContact O-CG1 3.31Å; A102-I106 PolarHBondContact O-N 2.88Å |
| 103 | N | 96.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 99.6 Ų | 99.6 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 175.9 | -77.9 | -29.7 | 0 | 0 | 0 | 113 | T99 Q101 K107 | T99-N103 WeakPolarHBondContact O-CB 3.45Å; T99-N103 VanDerWaalsContact O-CG 3.26Å; T99-N103 PolarHBondContact O-N 3.4Å; T99-N103 PolarHBondContact O-ND2 3.27Å; Q101-N103 VanDerWaalsContact C-N 3.29Å; Q101-N103 PolarHBondContact O-N 2.91Å; N103-K107 WeakPolarHBondContact O-CB 3.29Å; N103-K107 VanDerWaalsContact O-CG 3.3Å; N103-K107 WeakPolarHBondContact O-CG 3.38Å; N103-K107 PolarHBondContact O-N 3.4Å |
| 104 | K | 97.2 | Very high | 96.8 | Very high | 155 Ų | 155 | 98.4 Ų | 98.4 | 67% | 0.674 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 173.7 | -74.8 | 175.2 | -178.6 | 178.9 | 0 | 111.2 | A100 Q101 A102 K107 S108 | A100-K104 WeakPolarHBondContact O-CG 3.29Å; A100-K104 PolarHBondContact O-N 2.89Å; A100-K104 VanDerWaalsContact O-N 3.08Å; Q101-K104 WeakPolarHBondContact O-CB 3.49Å; Q101-K104 PolarHBondContact O-N 2.92Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.41Å; K104-K107 PolarHBondContact O-N 3.26Å; K104-S108 WeakPolarHBondContact O-CB 3.37Å; K104-S108 PolarHBondContact O-N 2.94Å |
| 105 | E | 97.3 | Very high | 96.8 | Very high | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 177.3 | -71.2 | 173.2 | -165.9 | 0 | 0 | 111.1 | Q101 A102 K107 S108 S109 | Q101-E105 WeakPolarHBondContact CG-OE1 3.42Å; Q101-E105 PolarHBondContact NE2-OE1 3.45Å; Q101-E105 PolarHBondContact O-N 2.83Å; A102-E105 PolarHBondContact O-N 2.79Å; E105-K107 PolarHBondContact O-N 3Å; E105-S108 PolarHBondContact O-N 3.42Å; E105-S108 PolarHBondContact O-OG 2.82Å; E105-S109 PolarHBondContact O-N 3.22Å |
| 106 | I | 96.6 | Very high | 96.8 | Very high | 86 Ų | 86 | 98 Ų | 98 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.2 | -50 | 174.4 | -71.5 | 167.6 | 0 | 0 | 0 | 110.9 | A102 S108 S109 Y110 | A102-I106 WeakPolarHBondContact O-CB 3.5Å; A102-I106 VanDerWaalsContact O-CG1 3.26Å; A102-I106 WeakPolarHBondContact O-CG1 3.31Å; A102-I106 PolarHBondContact O-N 2.88Å; I106-S108 VanDerWaalsContact C-N 3.35Å; I106-S108 PolarHBondContact O-N 3.33Å; I106-S109 WeakPolarHBondContact O-CB 3.33Å; I106-S109 PolarHBondContact O-N 3.18Å; I106-S109 VanDerWaalsContact O-N 3.11Å; I106-Y110 HydrophobicContact CG2-CD2 3.6Å; I106-Y110 HydrophobicContact CG2-CE2 3.4Å; I106-Y110 VanDerWaalsContact O-CD2 3.28Å; I106-Y110 WeakPolarHBondContact O-CD2 3.46Å; I106-Y110 PolarHBondContact O-N 2.81Å |
| 107 | K | 97.4 | Very high | 96.7 | Very high | 141 Ų | 141 | 99.3 Ų | 99.3 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.7 | -45.5 | 177 | -75.4 | 177.4 | -178.9 | -174.5 | 0 | 112 | N103 K104 E105 S109 Y110 E111 | N103-K107 WeakPolarHBondContact O-CB 3.29Å; N103-K107 VanDerWaalsContact O-CG 3.3Å; N103-K107 WeakPolarHBondContact O-CG 3.38Å; N103-K107 PolarHBondContact O-N 3.4Å; K104-K107 PolarHBondContact O-N 3.26Å; E105-K107 PolarHBondContact O-N 3Å; K107-S109 PolarHBondContact O-N 3.42Å; K107-Y110 PolarHBondContact O-N 2.92Å; K107-E111 WeakPolarHBondContact O-CG 3.38Å; K107-E111 PolarHBondContact O-N 3.27Å |
| 108 | S | 97.2 | Very high | 96.8 | Very high | 47 Ų | 47 | 99.2 Ų | 99.2 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | 177.1 | 81.7 | 0 | 0 | 0 | 0 | 112.6 | K104 E105 I106 K112 | K104-S108 WeakPolarHBondContact O-CB 3.37Å; K104-S108 PolarHBondContact O-N 2.94Å; E105-S108 PolarHBondContact O-N 3.42Å; E105-S108 PolarHBondContact O-OG 2.82Å; I106-S108 VanDerWaalsContact C-N 3.35Å; I106-S108 PolarHBondContact O-N 3.33Å; S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.36Å; S108-K112 PolarHBondContact O-N 3.26Å; S108-K112 VanDerWaalsContact O-N 3.09Å |
| 109 | S | 95.4 | Very high | 96.8 | Very high | 71 Ų | 71 | 98.3 Ų | 98.3 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.4 | -44.7 | 175.9 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | E105 I106 K107 E111 K112 M113 | E105-S109 PolarHBondContact O-N 3.22Å; I106-S109 WeakPolarHBondContact O-CB 3.33Å; I106-S109 PolarHBondContact O-N 3.18Å; I106-S109 VanDerWaalsContact O-N 3.11Å; K107-S109 PolarHBondContact O-N 3.42Å; S109-E111 PolarHBondContact O-N 3.31Å; S109-K112 WeakPolarHBondContact O-CB 3.45Å; S109-K112 PolarHBondContact O-N 3.03Å; S109-M113 WeakPolarHBondContact O-CB 3.44Å; S109-M113 PolarHBondContact O-N 2.92Å |
| 110 | Y | 96.8 | Very high | 96.8 | Very high | 139 Ų | 139 | 99.9 Ų | 99.9 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 174.4 | -80.5 | -64.8 | 0 | 0 | 0 | 111.9 | I106 K107 K112 M113 D114 | I106-Y110 HydrophobicContact CG2-CD2 3.6Å; I106-Y110 HydrophobicContact CG2-CE2 3.4Å; I106-Y110 VanDerWaalsContact O-CD2 3.28Å; I106-Y110 WeakPolarHBondContact O-CD2 3.46Å; I106-Y110 PolarHBondContact O-N 2.81Å; K107-Y110 PolarHBondContact O-N 2.92Å; Y110-K112 VanDerWaalsContact C-N 3.29Å; Y110-K112 PolarHBondContact O-N 3.45Å; Y110-M113 HydrophobicContact CD1-CE 3.77Å; Y110-M113 HydrophobicContact CE1-CE 4.11Å; Y110-M113 WeakPolarHBondContact O-CB 3.47Å; Y110-M113 PolarHBondContact O-N 3.48Å; Y110-M113 VanDerWaalsContact O-N 3.13Å; Y110-D114 PolarHBondContact O-N 2.95Å |
| 111 | E | 96.6 | Very high | 96.8 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 175.4 | -72.1 | 176.5 | -162.8 | 0 | 0 | 112.8 | K107 S109 R115 | K107-E111 WeakPolarHBondContact O-CG 3.38Å; K107-E111 PolarHBondContact O-N 3.27Å; S109-E111 PolarHBondContact O-N 3.31Å; E111-R115 VanDerWaalsContact O-CG 3.25Å; E111-R115 WeakPolarHBondContact O-CG 3.47Å; E111-R115 PolarHBondContact O-N 3.47Å; E111-R115 IonicContact OE2-NH2 2.88Å |
| 112 | K | 97 | Very high | 96.8 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.3 | -42.7 | 173.4 | -74.9 | 170.4 | -176.4 | 175.7 | 0 | 111.1 | S108 S109 Y110 R115 I116 | S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.36Å; S108-K112 PolarHBondContact O-N 3.26Å; S108-K112 VanDerWaalsContact O-N 3.09Å; S109-K112 WeakPolarHBondContact O-CB 3.45Å; S109-K112 PolarHBondContact O-N 3.03Å; Y110-K112 VanDerWaalsContact C-N 3.29Å; Y110-K112 PolarHBondContact O-N 3.45Å; K112-R115 PolarHBondContact O-N 2.93Å; K112-I116 WeakPolarHBondContact O-CG1 3.43Å; K112-I116 PolarHBondContact O-N 3.3Å |
| 113 | M | 97.3 | Very high | 96.8 | Very high | 83 Ų | 83 | 105.1 Ų | 105.1 | 41% | 0.409 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 176.5 | -168.2 | 180 | 81.6 | 0 | 0 | 110.7 | S109 Y110 R115 I116 E117 | S109-M113 WeakPolarHBondContact O-CB 3.44Å; S109-M113 PolarHBondContact O-N 2.92Å; Y110-M113 HydrophobicContact CD1-CE 3.77Å; Y110-M113 HydrophobicContact CE1-CE 4.11Å; Y110-M113 WeakPolarHBondContact O-CB 3.47Å; Y110-M113 PolarHBondContact O-N 3.48Å; Y110-M113 VanDerWaalsContact O-N 3.13Å; M113-R115 VanDerWaalsContact C-N 3.28Å; M113-R115 PolarHBondContact O-N 3.21Å; M113-I116 PolarHBondContact O-N 3.36Å; M113-E117 WeakPolarHBondContact O-CG 3.5Å; M113-E117 PolarHBondContact O-N 2.92Å |
| 114 | D | 96.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 106.7 Ų | 106.7 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 177.1 | -73.7 | -2.7 | 0 | 0 | 0 | 112.6 | Y110 K118 | Y110-D114 PolarHBondContact O-N 2.95Å; D114-K118 WeakPolarHBondContact O-CB 3.48Å; D114-K118 WeakPolarHBondContact O-CD 3.24Å; D114-K118 WeakPolarHBondContact O-CG 3.43Å; D114-K118 PolarHBondContact O-N 3.44Å |
| 115 | R | 96.9 | Very high | 96.8 | Very high | 170 Ų | 170 | 105.1 Ų | 105.1 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | 176.3 | -71.1 | 173 | -155.5 | -165.2 | 6.9 | 111.2 | E111 K112 M113 S119 | E111-R115 VanDerWaalsContact O-CG 3.25Å; E111-R115 WeakPolarHBondContact O-CG 3.47Å; E111-R115 PolarHBondContact O-N 3.47Å; E111-R115 IonicContact OE2-NH2 2.88Å; K112-R115 PolarHBondContact O-N 2.93Å; M113-R115 VanDerWaalsContact C-N 3.28Å; M113-R115 PolarHBondContact O-N 3.21Å; R115-S119 WeakPolarHBondContact O-CB 3.49Å; R115-S119 PolarHBondContact O-N 3.02Å; R115-S119 PolarHBondContact O-OG 2.88Å |
| 116 | I | 96.5 | Very high | 96.8 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 178.1 | -68.3 | 167.8 | 0 | 0 | 0 | 109.8 | K112 M113 K118 S119 Q120 | K112-I116 WeakPolarHBondContact O-CG1 3.43Å; K112-I116 PolarHBondContact O-N 3.3Å; M113-I116 PolarHBondContact O-N 3.36Å; I116-K118 VanDerWaalsContact C-N 3.34Å; I116-K118 PolarHBondContact O-N 2.95Å; I116-S119 WeakPolarHBondContact CA-OG 3.47Å; I116-S119 CarbonylContact O-C 3.59Å; I116-S119 PolarHBondContact O-N 3.29Å; I116-S119 PolarHBondContact O-OG 3.42Å; I116-Q120 WeakPolarHBondContact O-CB 3.32Å; I116-Q120 PolarHBondContact O-N 3.5Å |
| 117 | E | 96.2 | Very high | 96.8 | Very high | 94 Ų | 94 | 103.3 Ų | 103.3 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57 | -45.8 | 177.9 | -74.1 | -179.1 | -176 | 0 | 0 | 111.9 | M113 S119 Q120 L121 | M113-E117 WeakPolarHBondContact O-CG 3.5Å; M113-E117 PolarHBondContact O-N 2.92Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3Å; E117-Q120 PolarHBondContact O-N 3.34Å; E117-L121 WeakPolarHBondContact O-CB 3.39Å; E117-L121 WeakPolarHBondContact O-CG 3.33Å; E117-L121 PolarHBondContact O-N 2.98Å |
| 118 | K | 97.4 | Very high | 96.8 | Very high | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 175.3 | -73.6 | 171.7 | -173.2 | 172.3 | 0 | 112.3 | D114 I116 K122 | D114-K118 WeakPolarHBondContact O-CB 3.48Å; D114-K118 WeakPolarHBondContact O-CD 3.24Å; D114-K118 WeakPolarHBondContact O-CG 3.43Å; D114-K118 PolarHBondContact O-N 3.44Å; I116-K118 VanDerWaalsContact C-N 3.34Å; I116-K118 PolarHBondContact O-N 2.95Å; K118-K122 WeakPolarHBondContact O-CG 3.23Å; K118-K122 PolarHBondContact O-N 3.48Å; K118-K122 VanDerWaalsContact O-N 3.15Å |
| 119 | S | 96.7 | Very high | 96.8 | Very high | 69 Ų | 69 | 105.1 Ų | 105.1 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 176.8 | 74.7 | 0 | 0 | 0 | 0 | 112.1 | R115 I116 E117 K122 A123 | R115-S119 WeakPolarHBondContact O-CB 3.49Å; R115-S119 PolarHBondContact O-N 3.02Å; R115-S119 PolarHBondContact O-OG 2.88Å; I116-S119 WeakPolarHBondContact CA-OG 3.47Å; I116-S119 CarbonylContact O-C 3.59Å; I116-S119 PolarHBondContact O-N 3.29Å; I116-S119 PolarHBondContact O-OG 3.42Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3Å; S119-K122 PolarHBondContact O-N 3.32Å; S119-A123 WeakPolarHBondContact O-CB 3.4Å; S119-A123 PolarHBondContact O-N 3.38Å |
| 120 | Q | 96.8 | Very high | 96.8 | Very high | 114 Ų | 114 | 107.7 Ų | 107.7 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 177.7 | -175.7 | 177.7 | -4.9 | 0 | 0 | 111 | I116 E117 K122 A123 M124 | I116-Q120 WeakPolarHBondContact O-CB 3.32Å; I116-Q120 PolarHBondContact O-N 3.5Å; E117-Q120 PolarHBondContact O-N 3.34Å; Q120-K122 PolarHBondContact O-N 2.85Å; Q120-A123 PolarHBondContact O-N 2.97Å; Q120-M124 HydrophobicContact CG-SD 4.39Å; Q120-M124 WeakPolarHBondContact O-CB 3.42Å; Q120-M124 WeakPolarHBondContact O-CG 3.49Å; Q120-M124 PolarHBondContact O-N 2.85Å |
| 121 | L | 97.5 | Very high | 96.8 | Very high | 103 Ų | 103 | 107.4 Ų | 107.4 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.1 | -75.5 | 169.9 | 0 | 0 | 0 | 111.9 | E117 M124 Q125 | E117-L121 WeakPolarHBondContact O-CB 3.39Å; E117-L121 WeakPolarHBondContact O-CG 3.33Å; E117-L121 PolarHBondContact O-N 2.98Å; L121-M124 PolarHBondContact O-N 3.43Å; L121-Q125 WeakPolarHBondContact O-CG 3.44Å; L121-Q125 PolarHBondContact O-N 3.4Å |
| 122 | K | 97.4 | Very high | 96.8 | Very high | 146 Ų | 146 | 107.4 Ų | 107.4 | 64% | 0.635 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | 174.7 | -73.2 | 178.5 | -179.9 | -174 | 0 | 111.7 | K118 S119 Q120 M124 Q125 T126 | K118-K122 WeakPolarHBondContact O-CG 3.23Å; K118-K122 PolarHBondContact O-N 3.48Å; K118-K122 VanDerWaalsContact O-N 3.15Å; S119-K122 PolarHBondContact O-N 3.32Å; Q120-K122 PolarHBondContact O-N 2.85Å; K122-M124 VanDerWaalsContact C-N 3.31Å; K122-M124 PolarHBondContact O-N 3.07Å; K122-Q125 PolarHBondContact O-N 2.93Å; K122-T126 WeakPolarHBondContact O-CG2 3.46Å; K122-T126 PolarHBondContact O-N 2.97Å; K122-T126 PolarHBondContact O-OG1 3.08Å |
| 123 | A | 95.9 | Very high | 96.8 | Very high | 53 Ų | 53 | 105.9 Ų | 105.9 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S119 Q120 T126 L127 | S119-A123 WeakPolarHBondContact O-CB 3.4Å; S119-A123 PolarHBondContact O-N 3.38Å; Q120-A123 PolarHBondContact O-N 2.97Å; A123-T126 WeakPolarHBondContact CA-OG1 3.48Å; A123-T126 PolarHBondContact O-N 3.44Å; A123-T126 PolarHBondContact O-OG1 3.31Å; A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 2.95Å |
| 124 | M | 96.3 | Very high | 96.8 | Very high | 116 Ų | 116 | 107.3 Ų | 107.3 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 175.4 | -74.1 | -180 | 69.8 | 0 | 0 | 112.2 | Q120 L121 K122 L127 E128 | Q120-M124 HydrophobicContact CG-SD 4.39Å; Q120-M124 WeakPolarHBondContact O-CB 3.42Å; Q120-M124 WeakPolarHBondContact O-CG 3.49Å; Q120-M124 PolarHBondContact O-N 2.85Å; L121-M124 PolarHBondContact O-N 3.43Å; K122-M124 VanDerWaalsContact C-N 3.31Å; K122-M124 PolarHBondContact O-N 3.07Å; M124-L127 PolarHBondContact O-N 2.9Å; M124-E128 PolarHBondContact O-N 2.9Å |
| 125 | Q | 97.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 107.3 Ų | 107.3 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -48.2 | 175.1 | -73.1 | 171.8 | -14.7 | 0 | 0 | 111.4 | L121 K122 L127 E128 E129 | L121-Q125 WeakPolarHBondContact O-CG 3.44Å; L121-Q125 PolarHBondContact O-N 3.4Å; K122-Q125 PolarHBondContact O-N 2.93Å; Q125-L127 PolarHBondContact O-N 3.4Å; Q125-E128 PolarHBondContact O-N 3.36Å; Q125-E129 WeakPolarHBondContact O-CG 3.28Å; Q125-E129 PolarHBondContact O-N 3.31Å |
| 126 | T | 97.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 103.7 Ų | 103.7 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -33.6 | 177.7 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | K122 A123 L130 | K122-T126 WeakPolarHBondContact O-CG2 3.46Å; K122-T126 PolarHBondContact O-N 2.97Å; K122-T126 PolarHBondContact O-OG1 3.08Å; A123-T126 WeakPolarHBondContact CA-OG1 3.48Å; A123-T126 PolarHBondContact O-N 3.44Å; A123-T126 PolarHBondContact O-OG1 3.31Å; T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.38Å; T126-L130 PolarHBondContact O-N 2.93Å; T126-L130 VanDerWaalsContact O-N 3.08Å |
| 127 | L | 96.7 | Very high | 96.8 | Very high | 83 Ų | 83 | 102.7 Ų | 102.7 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 177.1 | -168.8 | 158.7 | 0 | 0 | 0 | 110.9 | A123 M124 Q125 L130 R131 | A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 2.95Å; M124-L127 PolarHBondContact O-N 2.9Å; Q125-L127 PolarHBondContact O-N 3.4Å; L127-L130 PolarHBondContact O-N 3.5Å; L127-R131 HydrophobicContact CD2-CG 4.11Å; L127-R131 VanDerWaalsContact CD2-NE 3.26Å; L127-R131 WeakPolarHBondContact O-CG 3.38Å; L127-R131 PolarHBondContact O-N 2.98Å |
| 128 | E | 96.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 103 Ų | 103 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 177.7 | -159.7 | 68.3 | -178.9 | 0 | 0 | 112 | M124 Q125 L130 R131 L132 | M124-E128 PolarHBondContact O-N 2.9Å; Q125-E128 PolarHBondContact O-N 3.36Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.14Å; E128-R131 PolarHBondContact O-N 2.98Å; E128-R131 IonicContact OE2-NH1 3.49Å; E128-R131 PolarHBondContact OE2-NH1 3.41Å; E128-L132 WeakPolarHBondContact O-CG 3.41Å; E128-L132 PolarHBondContact O-N 3.36Å |
| 129 | E | 97.1 | Very high | 96.8 | Very high | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 171.3 | -72.5 | 172 | -177.6 | 0 | 0 | 111.8 | Q125 R131 L132 Q133 | Q125-E129 WeakPolarHBondContact O-CG 3.28Å; Q125-E129 PolarHBondContact O-N 3.31Å; E129-R131 VanDerWaalsContact C-N 3.35Å; E129-R131 PolarHBondContact O-N 2.87Å; E129-L132 PolarHBondContact O-N 2.92Å; E129-Q133 WeakPolarHBondContact O-CB 3.33Å; E129-Q133 PolarHBondContact O-N 2.95Å |
| 130 | L | 96.1 | Very high | 96.7 | Very high | 124 Ų | 124 | 102 Ų | 102 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.6 | -35.8 | 176.7 | -72.8 | 172.9 | 0 | 0 | 0 | 112.7 | T126 L127 E128 Q133 M134 | T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.38Å; T126-L130 PolarHBondContact O-N 2.93Å; T126-L130 VanDerWaalsContact O-N 3.08Å; L127-L130 PolarHBondContact O-N 3.5Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.14Å; L130-Q133 PolarHBondContact O-N 2.93Å; L130-M134 WeakPolarHBondContact O-CB 3.45Å; L130-M134 PolarHBondContact O-N 3.18Å |
| 131 | R | 97.3 | Very high | 96.7 | Very high | 134 Ų | 134 | 102.2 Ų | 102.2 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 174.2 | -78.5 | 176.3 | 174.1 | 163.7 | -2.3 | 111.6 | L127 E128 E129 Q133 M134 D135 | L127-R131 HydrophobicContact CD2-CG 4.11Å; L127-R131 VanDerWaalsContact CD2-NE 3.26Å; L127-R131 WeakPolarHBondContact O-CG 3.38Å; L127-R131 PolarHBondContact O-N 2.98Å; E128-R131 PolarHBondContact O-N 2.98Å; E128-R131 IonicContact OE2-NH1 3.49Å; E128-R131 PolarHBondContact OE2-NH1 3.41Å; E129-R131 VanDerWaalsContact C-N 3.35Å; E129-R131 PolarHBondContact O-N 2.87Å; R131-Q133 VanDerWaalsContact C-N 3.27Å; R131-Q133 PolarHBondContact O-N 2.91Å; R131-M134 WeakPolarHBondContact O-CB 3.5Å; R131-M134 PolarHBondContact O-N 2.91Å; R131-M134 VanDerWaalsContact O-N 3.13Å; R131-D135 PolarHBondContact O-N 3.44Å |
| 132 | L | 97.1 | Very high | 96.6 | Very high | 104 Ų | 104 | 101.8 Ų | 101.8 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.2 | -70.5 | 171.6 | 0 | 0 | 0 | 111.4 | E128 E129 D135 L136 | E128-L132 WeakPolarHBondContact O-CG 3.41Å; E128-L132 PolarHBondContact O-N 3.36Å; E129-L132 PolarHBondContact O-N 2.92Å; L132-D135 PolarHBondContact O-N 3.2Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 3.4Å |
| 133 | Q | 97 | Very high | 96.6 | Very high | 97 Ų | 97 | 99.7 Ų | 99.7 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 174.5 | -176.5 | 60.1 | 37.3 | 0 | 0 | 111.7 | E129 L130 R131 D135 L136 D137 | E129-Q133 WeakPolarHBondContact O-CB 3.33Å; E129-Q133 PolarHBondContact O-N 2.95Å; L130-Q133 PolarHBondContact O-N 2.93Å; R131-Q133 VanDerWaalsContact C-N 3.27Å; R131-Q133 PolarHBondContact O-N 2.91Å; Q133-D135 VanDerWaalsContact C-N 3.35Å; Q133-D135 PolarHBondContact O-N 2.86Å; Q133-L136 PolarHBondContact O-N 3.16Å; Q133-D137 PolarHBondContact NE2-OD1 2.88Å; Q133-D137 PolarHBondContact NE2-OD2 2.9Å; Q133-D137 WeakPolarHBondContact O-CB 3.26Å; Q133-D137 VanDerWaalsContact O-CG 3.23Å; Q133-D137 PolarHBondContact O-N 3.43Å |
| 134 | M | 96.1 | Very high | 96.6 | Very high | 113 Ų | 113 | 102.1 Ų | 102.1 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 177.5 | -174.9 | -177.3 | 71.5 | 0 | 0 | 112 | L130 R131 D137 Q138 | L130-M134 WeakPolarHBondContact O-CB 3.45Å; L130-M134 PolarHBondContact O-N 3.18Å; R131-M134 WeakPolarHBondContact O-CB 3.5Å; R131-M134 PolarHBondContact O-N 2.91Å; R131-M134 VanDerWaalsContact O-N 3.13Å; M134-D137 PolarHBondContact O-N 2.74Å; M134-Q138 WeakPolarHBondContact O-CB 3.41Å; M134-Q138 PolarHBondContact O-N 3.38Å |
| 135 | D | 97.3 | Very high | 96.6 | Very high | 73 Ų | 73 | 101.7 Ų | 101.7 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 177.2 | -68.5 | -20.7 | 0 | 0 | 0 | 111.5 | R131 L132 Q133 Q138 Q139 | R131-D135 PolarHBondContact O-N 3.44Å; L132-D135 PolarHBondContact O-N 3.2Å; Q133-D135 VanDerWaalsContact C-N 3.35Å; Q133-D135 PolarHBondContact O-N 2.86Å; D135-Q138 PolarHBondContact O-N 3.46Å; D135-Q139 WeakPolarHBondContact O-CG 3.41Å; D135-Q139 PolarHBondContact O-N 3.44Å |
| 136 | L | 97.1 | Very high | 96.6 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 175 | -73.7 | 170.3 | 0 | 0 | 0 | 112 | L132 Q133 Q138 Q139 T140 | L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 3.4Å; Q133-L136 PolarHBondContact O-N 3.16Å; L136-Q138 VanDerWaalsContact C-N 3.33Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-T140 WeakPolarHBondContact O-CB 3.35Å; L136-T140 PolarHBondContact O-N 3.21Å; L136-T140 PolarHBondContact O-OG1 3.47Å |
| 137 | D | 95.7 | Very high | 96.5 | Very high | 84 Ų | 84 | 101.7 Ų | 101.7 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.8 | -70.9 | -23.2 | 0 | 0 | 0 | 110.6 | Q133 M134 T140 M141 | Q133-D137 PolarHBondContact NE2-OD1 2.88Å; Q133-D137 PolarHBondContact NE2-OD2 2.9Å; Q133-D137 WeakPolarHBondContact O-CB 3.26Å; Q133-D137 VanDerWaalsContact O-CG 3.23Å; Q133-D137 PolarHBondContact O-N 3.43Å; M134-D137 PolarHBondContact O-N 2.74Å; D137-T140 PolarHBondContact O-N 3.34Å; D137-M141 WeakPolarHBondContact O-CB 3.46Å; D137-M141 PolarHBondContact O-N 2.82Å |
| 138 | Q | 96.7 | Very high | 96.4 | Very high | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 174.5 | 179.8 | 175.4 | -14.3 | 0 | 0 | 111.6 | M134 D135 L136 T140 M141 E142 | M134-Q138 WeakPolarHBondContact O-CB 3.41Å; M134-Q138 PolarHBondContact O-N 3.38Å; D135-Q138 PolarHBondContact O-N 3.46Å; L136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-T140 VanDerWaalsContact C-N 3.27Å; Q138-T140 PolarHBondContact O-N 2.88Å; Q138-M141 PolarHBondContact O-N 3.36Å; Q138-M141 VanDerWaalsContact O-N 3.15Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.44Å; Q138-E142 PolarHBondContact NE2-OE1 2.92Å; Q138-E142 WeakPolarHBondContact O-CG 3.4Å; Q138-E142 PolarHBondContact O-N 3.49Å |
| 139 | Q | 96.4 | Very high | 96.3 | Very high | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 177.5 | -73.3 | 176.1 | 11.1 | 0 | 0 | 111.9 | D135 L136 E142 N143 | D135-Q139 WeakPolarHBondContact O-CG 3.41Å; D135-Q139 PolarHBondContact O-N 3.44Å; L136-Q139 PolarHBondContact O-N 2.9Å; Q139-E142 PolarHBondContact O-N 3.24Å; Q139-N143 WeakPolarHBondContact O-CB 3.46Å; Q139-N143 PolarHBondContact O-N 2.92Å; Q139-N143 PolarHBondContact O-ND2 2.86Å; Q139-N143 VanDerWaalsContact O-ND2 3.11Å |
| 140 | T | 95.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 97.6 Ų | 97.6 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -44 | 176.2 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | L136 D137 Q138 N143 L144 | L136-T140 WeakPolarHBondContact O-CB 3.35Å; L136-T140 PolarHBondContact O-N 3.21Å; L136-T140 PolarHBondContact O-OG1 3.47Å; D137-T140 PolarHBondContact O-N 3.34Å; Q138-T140 VanDerWaalsContact C-N 3.27Å; Q138-T140 PolarHBondContact O-N 2.88Å; T140-N143 PolarHBondContact O-N 3.42Å; T140-L144 HydrophobicContact CG2-CD1 4.38Å; T140-L144 WeakPolarHBondContact O-CG 3.4Å; T140-L144 PolarHBondContact O-N 3.01Å |
| 141 | M | 96.1 | Very high | 96.1 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 176.9 | -168.8 | 175.9 | 84.2 | 0 | 0 | 112 | D137 Q138 N143 L144 L145 | D137-M141 WeakPolarHBondContact O-CB 3.46Å; D137-M141 PolarHBondContact O-N 2.82Å; Q138-M141 PolarHBondContact O-N 3.36Å; Q138-M141 VanDerWaalsContact O-N 3.15Å; M141-N143 VanDerWaalsContact C-N 3.32Å; M141-N143 PolarHBondContact O-N 3.24Å; M141-L144 PolarHBondContact O-N 3.44Å; M141-L145 HydrophobicContact CG-CD1 4.47Å; M141-L145 WeakPolarHBondContact O-CG 3.33Å; M141-L145 PolarHBondContact O-N 3.47Å |
| 142 | E | 96.6 | Very high | 96.1 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 176.9 | -73.4 | 173.6 | -171 | 0 | 0 | 111.6 | Q138 Q139 L145 V146 | Q138-E142 WeakPolarHBondContact CG-OE1 3.44Å; Q138-E142 PolarHBondContact NE2-OE1 2.92Å; Q138-E142 WeakPolarHBondContact O-CG 3.4Å; Q138-E142 PolarHBondContact O-N 3.49Å; Q139-E142 PolarHBondContact O-N 3.24Å; E142-L145 PolarHBondContact O-N 2.98Å; E142-V146 WeakPolarHBondContact O-CG2 3.46Å; E142-V146 PolarHBondContact O-N 2.95Å |
| 143 | N | 96.9 | Very high | 96 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.8 | -72.7 | -31.3 | 0 | 0 | 0 | 112.2 | Q139 T140 M141 L145 V146 E147 | Q139-N143 WeakPolarHBondContact O-CB 3.46Å; Q139-N143 PolarHBondContact O-N 2.92Å; Q139-N143 PolarHBondContact O-ND2 2.86Å; Q139-N143 VanDerWaalsContact O-ND2 3.11Å; T140-N143 PolarHBondContact O-N 3.42Å; M141-N143 VanDerWaalsContact C-N 3.32Å; M141-N143 PolarHBondContact O-N 3.24Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 3.47Å; N143-V146 PolarHBondContact O-N 3.35Å; N143-E147 WeakPolarHBondContact O-CG 3.4Å; N143-E147 PolarHBondContact O-N 3.34Å |
| 144 | L | 96.6 | Very high | 96 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 177 | -71.8 | 173.7 | 0 | 0 | 0 | 112.1 | T140 M141 E147 A148 | T140-L144 HydrophobicContact CG2-CD1 4.38Å; T140-L144 WeakPolarHBondContact O-CG 3.4Å; T140-L144 PolarHBondContact O-N 3.01Å; M141-L144 PolarHBondContact O-N 3.44Å; L144-E147 PolarHBondContact O-N 3.15Å; L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 2.86Å |
| 145 | L | 96.4 | Very high | 96 | Very high | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 175.6 | -71.6 | 174.1 | 0 | 0 | 0 | 111.9 | M141 E142 N143 A148 A149 | M141-L145 HydrophobicContact CG-CD1 4.47Å; M141-L145 WeakPolarHBondContact O-CG 3.33Å; M141-L145 PolarHBondContact O-N 3.47Å; E142-L145 PolarHBondContact O-N 2.98Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 3.47Å; L145-A148 PolarHBondContact O-N 3.41Å; L145-A149 PolarHBondContact O-N 3.05Å |
| 146 | V | 96.6 | Very high | 96 | Very high | 75 Ų | 75 | 98.2 Ų | 98.2 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.6 | 171 | 0 | 0 | 0 | 0 | 111.3 | E142 N143 A149 K150 | E142-V146 WeakPolarHBondContact O-CG2 3.46Å; E142-V146 PolarHBondContact O-N 2.95Å; N143-V146 PolarHBondContact O-N 3.35Å; V146-A149 PolarHBondContact O-N 3.46Å; V146-K150 HydrophobicContact CG1-CD 4.33Å; V146-K150 WeakPolarHBondContact O-CG 3.49Å; V146-K150 PolarHBondContact O-N 3.28Å |
| 147 | E | 94.4 | Very high | 96 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 175 | -75 | -175.9 | 178.2 | 0 | 0 | 112.2 | N143 L144 K150 K151 | N143-E147 WeakPolarHBondContact O-CG 3.4Å; N143-E147 PolarHBondContact O-N 3.34Å; L144-E147 PolarHBondContact O-N 3.15Å; E147-K150 PolarHBondContact O-N 2.89Å; E147-K151 WeakPolarHBondContact O-CG 3.35Å; E147-K151 PolarHBondContact O-N 3.48Å |
| 148 | A | 94.4 | Very high | 96.1 | Very high | 47 Ų | 47 | 98.5 Ų | 98.5 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L144 L145 K150 K151 D152 | L144-A148 WeakPolarHBondContact O-CB 3.41Å; L144-A148 PolarHBondContact O-N 2.86Å; L145-A148 PolarHBondContact O-N 3.41Å; A148-K150 VanDerWaalsContact C-N 3.34Å; A148-K150 PolarHBondContact O-N 2.66Å; A148-K151 WeakPolarHBondContact O-CB 3.35Å; A148-K151 PolarHBondContact O-N 3.39Å; A148-K151 VanDerWaalsContact O-N 3.07Å; A148-D152 PolarHBondContact O-N 3.5Å |
| 149 | A | 95.3 | Very high | 96.1 | Very high | 50 Ų | 50 | 98.2 Ų | 98.2 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L145 V146 K151 D152 D153 | L145-A149 PolarHBondContact O-N 3.05Å; V146-A149 PolarHBondContact O-N 3.46Å; A149-K151 VanDerWaalsContact C-N 3.31Å; A149-K151 PolarHBondContact O-N 3.24Å; A149-D152 PolarHBondContact O-N 2.83Å; A149-D153 PolarHBondContact O-N 2.99Å |
| 150 | K | 93.9 | Very high | 96.1 | Very high | 126 Ų | 126 | 99.6 Ų | 99.6 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.4 | -72.9 | 171.3 | -177.8 | 171.7 | 0 | 112.2 | V146 E147 A148 D152 D153 D154 | V146-K150 HydrophobicContact CG1-CD 4.33Å; V146-K150 WeakPolarHBondContact O-CG 3.49Å; V146-K150 PolarHBondContact O-N 3.28Å; E147-K150 PolarHBondContact O-N 2.89Å; A148-K150 VanDerWaalsContact C-N 3.34Å; A148-K150 PolarHBondContact O-N 2.66Å; K150-D152 VanDerWaalsContact C-N 3.35Å; K150-D153 PolarHBondContact O-N 2.87Å; K150-D154 PolarHBondContact O-N 3.19Å |
| 151 | K | 95.9 | Very high | 96.2 | Very high | 141 Ų | 141 | 102.8 Ų | 102.8 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.1 | -36.8 | 176.7 | -71.5 | -68 | 178.9 | -167 | 0 | 112.1 | E147 A148 A149 D154 L155 | E147-K151 WeakPolarHBondContact O-CG 3.35Å; E147-K151 PolarHBondContact O-N 3.48Å; A148-K151 WeakPolarHBondContact O-CB 3.35Å; A148-K151 PolarHBondContact O-N 3.39Å; A148-K151 VanDerWaalsContact O-N 3.07Å; A149-K151 VanDerWaalsContact C-N 3.31Å; A149-K151 PolarHBondContact O-N 3.24Å; K151-D154 PolarHBondContact O-N 2.86Å; K151-L155 WeakPolarHBondContact O-CB 3.27Å; K151-L155 PolarHBondContact O-N 3.47Å |
| 152 | D | 95.6 | Very high | 96.3 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 174.2 | -70.3 | -18.9 | 0 | 0 | 0 | 111.1 | A148 A149 K150 L155 M156 | A148-D152 PolarHBondContact O-N 3.5Å; A149-D152 PolarHBondContact O-N 2.83Å; K150-D152 VanDerWaalsContact C-N 3.35Å; D152-L155 WeakPolarHBondContact O-CB 3.42Å; D152-L155 PolarHBondContact O-N 2.86Å; D152-M156 VanDerWaalsContact O-CG 3.29Å; D152-M156 WeakPolarHBondContact O-CG 3.41Å; D152-M156 PolarHBondContact O-N 3.4Å |
| 153 | D | 95.7 | Very high | 96.3 | Very high | 111 Ų | 111 | 100.6 Ų | 100.6 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 173.6 | -74.2 | -21.7 | 0 | 0 | 0 | 112 | A149 K150 L155 M156 V157 | A149-D153 PolarHBondContact O-N 2.99Å; K150-D153 PolarHBondContact O-N 2.87Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 3.27Å; D153-M156 WeakPolarHBondContact O-CB 3.5Å; D153-M156 PolarHBondContact O-N 3.39Å; D153-V157 WeakPolarHBondContact O-CG2 3.33Å; D153-V157 PolarHBondContact O-N 2.72Å; D153-V157 VanDerWaalsContact O-N 3.07Å |
| 154 | D | 96.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 175 | -76.3 | -19.6 | 0 | 0 | 0 | 111.1 | K150 K151 M156 V157 I158 | K150-D154 PolarHBondContact O-N 3.19Å; K151-D154 PolarHBondContact O-N 2.86Å; D154-M156 VanDerWaalsContact C-N 3.35Å; D154-M156 PolarHBondContact O-N 3.27Å; D154-V157 PolarHBondContact O-N 3.37Å; D154-I158 WeakPolarHBondContact O-CG1 3.32Å; D154-I158 PolarHBondContact O-N 3.01Å |
| 155 | L | 97.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 100.4 Ų | 100.4 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 178.2 | -177.1 | 65.5 | 0 | 0 | 0 | 111.3 | K151 D152 D153 V157 I158 M159 | K151-L155 WeakPolarHBondContact O-CB 3.27Å; K151-L155 PolarHBondContact O-N 3.47Å; D152-L155 WeakPolarHBondContact O-CB 3.42Å; D152-L155 PolarHBondContact O-N 2.86Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 3.27Å; L155-V157 VanDerWaalsContact C-N 3.31Å; L155-V157 PolarHBondContact O-N 2.91Å; L155-I158 PolarHBondContact O-N 3Å; L155-M159 HydrophobicContact CG-CG 4.48Å; L155-M159 HydrophobicContact CG-SD 4.28Å; L155-M159 WeakPolarHBondContact O-CB 3.46Å; L155-M159 VanDerWaalsContact O-CG 3.3Å; L155-M159 WeakPolarHBondContact O-CG 3.41Å; L155-M159 PolarHBondContact O-N 3.43Å |
| 156 | M | 96.3 | Very high | 96.4 | Very high | 125 Ų | 125 | 100 Ų | 100 | 62% | 0.616 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -39.6 | 176.3 | -72.2 | -65.4 | -69.9 | 0 | 0 | 112 | D152 D153 D154 K160 | D152-M156 VanDerWaalsContact O-CG 3.29Å; D152-M156 WeakPolarHBondContact O-CG 3.41Å; D152-M156 PolarHBondContact O-N 3.4Å; D153-M156 WeakPolarHBondContact O-CB 3.5Å; D153-M156 PolarHBondContact O-N 3.39Å; D154-M156 VanDerWaalsContact C-N 3.35Å; D154-M156 PolarHBondContact O-N 3.27Å; M156-K160 PolarHBondContact O-N 3.12Å |
| 157 | V | 97.3 | Very high | 96.4 | Very high | 77 Ų | 77 | 102.8 Ų | 102.8 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | D153 D154 L155 M159 K160 Y161 | D153-V157 WeakPolarHBondContact O-CG2 3.33Å; D153-V157 PolarHBondContact O-N 2.72Å; D153-V157 VanDerWaalsContact O-N 3.07Å; D154-V157 PolarHBondContact O-N 3.37Å; L155-V157 VanDerWaalsContact C-N 3.31Å; L155-V157 PolarHBondContact O-N 2.91Å; V157-M159 PolarHBondContact O-N 2.9Å; V157-K160 WeakPolarHBondContact O-CB 3.33Å; V157-K160 PolarHBondContact O-N 3.13Å; V157-Y161 HydrophobicContact CG1-CD2 3.78Å; V157-Y161 HydrophobicContact CG1-CE2 3.54Å; V157-Y161 VanDerWaalsContact O-CD2 3.24Å; V157-Y161 WeakPolarHBondContact O-CD2 3.31Å; V157-Y161 PolarHBondContact O-N 2.87Å |
| 158 | I | 97.3 | Very high | 96.6 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 55% | 0.554 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 177 | -68.7 | 167.3 | 0 | 0 | 0 | 110.8 | D154 L155 K160 Y161 A162 | D154-I158 WeakPolarHBondContact O-CG1 3.32Å; D154-I158 PolarHBondContact O-N 3.01Å; L155-I158 PolarHBondContact O-N 3Å; I158-K160 VanDerWaalsContact C-N 3.31Å; I158-K160 PolarHBondContact O-N 3.33Å; I158-Y161 PolarHBondContact O-N 3.15Å; I158-A162 WeakPolarHBondContact O-CB 3.36Å; I158-A162 PolarHBondContact O-N 2.85Å |
| 159 | M | 96.8 | Very high | 96.8 | Very high | 93 Ų | 93 | 106 Ų | 106 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 176.9 | -75.7 | 179.9 | 67.4 | 0 | 0 | 111.7 | L155 V157 A162 Q163 | L155-M159 HydrophobicContact CG-CG 4.48Å; L155-M159 HydrophobicContact CG-SD 4.28Å; L155-M159 WeakPolarHBondContact O-CB 3.46Å; L155-M159 VanDerWaalsContact O-CG 3.3Å; L155-M159 WeakPolarHBondContact O-CG 3.41Å; L155-M159 PolarHBondContact O-N 3.43Å; V157-M159 PolarHBondContact O-N 2.9Å; M159-A162 PolarHBondContact O-N 2.91Å; M159-Q163 WeakPolarHBondContact O-CG 3.49Å; M159-Q163 PolarHBondContact O-N 3.34Å |
| 160 | K | 97.5 | Very high | 96.9 | Very high | 137 Ų | 137 | 109 Ų | 109 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 175.5 | -176.9 | -179.8 | 177.2 | -179 | 0 | 111.7 | M156 V157 I158 Q163 M164 | M156-K160 PolarHBondContact O-N 3.12Å; V157-K160 WeakPolarHBondContact O-CB 3.33Å; V157-K160 PolarHBondContact O-N 3.13Å; I158-K160 VanDerWaalsContact C-N 3.31Å; I158-K160 PolarHBondContact O-N 3.33Å; K160-Q163 PolarHBondContact O-N 3.12Å; K160-M164 WeakPolarHBondContact O-CG 3.32Å; K160-M164 PolarHBondContact O-N 2.95Å |
| 161 | Y | 97.7 | Very high | 97.1 | Very high | 144 Ų | 144 | 105.4 Ų | 105.4 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 176.3 | -78.6 | -64.5 | 0 | 0 | 0 | 112.2 | V157 I158 Q163 M164 D165 | V157-Y161 HydrophobicContact CG1-CD2 3.78Å; V157-Y161 HydrophobicContact CG1-CE2 3.54Å; V157-Y161 VanDerWaalsContact O-CD2 3.24Å; V157-Y161 WeakPolarHBondContact O-CD2 3.31Å; V157-Y161 PolarHBondContact O-N 2.87Å; I158-Y161 PolarHBondContact O-N 3.15Å; Y161-Q163 VanDerWaalsContact C-N 3.31Å; Y161-Q163 PolarHBondContact O-N 3.46Å; Y161-M164 WeakPolarHBondContact O-CB 3.44Å; Y161-M164 PolarHBondContact O-N 3.25Å; Y161-M164 VanDerWaalsContact O-N 3.14Å; Y161-D165 WeakPolarHBondContact O-CB 3.46Å; Y161-D165 PolarHBondContact O-N 3.47Å |
| 162 | A | 97 | Very high | 97.1 | Very high | 55 Ų | 55 | 102.7 Ų | 102.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I158 M159 D165 E166 | I158-A162 WeakPolarHBondContact O-CB 3.36Å; I158-A162 PolarHBondContact O-N 2.85Å; M159-A162 PolarHBondContact O-N 2.91Å; A162-D165 PolarHBondContact O-N 3.48Å; A162-E166 WeakPolarHBondContact O-CB 3.43Å; A162-E166 PolarHBondContact O-N 3.26Å |
| 163 | Q | 97.3 | Very high | 97.2 | Very high | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 174.1 | -73 | 176.7 | -2.5 | 0 | 0 | 112.1 | M159 K160 Y161 D165 E166 H167 | M159-Q163 WeakPolarHBondContact O-CG 3.49Å; M159-Q163 PolarHBondContact O-N 3.34Å; K160-Q163 PolarHBondContact O-N 3.12Å; Y161-Q163 VanDerWaalsContact C-N 3.31Å; Y161-Q163 PolarHBondContact O-N 3.46Å; Q163-D165 VanDerWaalsContact C-N 3.33Å; Q163-D165 PolarHBondContact O-N 2.92Å; Q163-E166 PolarHBondContact O-N 2.92Å; Q163-H167 PolarHBondContact O-CD2 3.45Å; Q163-H167 PolarHBondContact O-N 3.44Å |
| 164 | M | 97.1 | Very high | 97.3 | Very high | 104 Ų | 104 | 104.5 Ų | 104.5 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.2 | -71.9 | 178.9 | 62.5 | 0 | 0 | 111.7 | K160 Y161 H167 K168 | K160-M164 WeakPolarHBondContact O-CG 3.32Å; K160-M164 PolarHBondContact O-N 2.95Å; Y161-M164 WeakPolarHBondContact O-CB 3.44Å; Y161-M164 PolarHBondContact O-N 3.25Å; Y161-M164 VanDerWaalsContact O-N 3.14Å; M164-H167 PolarHBondContact O-N 2.92Å; M164-K168 WeakPolarHBondContact O-CB 3.35Å; M164-K168 PolarHBondContact O-N 2.93Å |
| 165 | D | 97.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.5 | -73.8 | -17.5 | 0 | 0 | 0 | 111.2 | Y161 A162 Q163 H167 K168 I169 | Y161-D165 WeakPolarHBondContact O-CB 3.46Å; Y161-D165 PolarHBondContact O-N 3.47Å; A162-D165 PolarHBondContact O-N 3.48Å; Q163-D165 VanDerWaalsContact C-N 3.33Å; Q163-D165 PolarHBondContact O-N 2.92Å; D165-H167 PolarHBondContact O-N 3.38Å; D165-K168 CarbonylContact O-C 3.54Å; D165-K168 WeakPolarHBondContact O-CB 3.45Å; D165-K168 PolarHBondContact O-N 2.91Å; D165-K168 VanDerWaalsContact O-N 3.12Å; D165-I169 WeakPolarHBondContact O-CB 3.43Å; D165-I169 VanDerWaalsContact O-CG1 3.25Å; D165-I169 WeakPolarHBondContact O-CG1 3.37Å; D165-I169 PolarHBondContact O-N 3.09Å |
| 166 | E | 97.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.1 | -164.3 | -174.2 | 158.9 | 0 | 0 | 111.7 | A162 Q163 K168 I169 K170 | A162-E166 WeakPolarHBondContact O-CB 3.43Å; A162-E166 PolarHBondContact O-N 3.26Å; Q163-E166 PolarHBondContact O-N 2.92Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.37Å; E166-I169 PolarHBondContact O-N 2.67Å; E166-K170 WeakPolarHBondContact O-CB 3.43Å; E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.21Å; E166-K170 PolarHBondContact O-N 2.91Å; E166-K170 VanDerWaalsContact OE1-CE 3.24Å; E166-K170 WeakPolarHBondContact OE1-CE 3.39Å; E166-K170 IonicContact OE1-NZ 3.46Å; E166-K170 PolarHBondContact OE1-NZ 3.15Å |
| 167 | H | 96.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 104.6 Ų | 104.6 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 172.4 | -76.9 | -63.1 | 0 | 0 | 0 | 111.9 | Q163 M164 D165 K170 S171 | Q163-H167 PolarHBondContact O-CD2 3.45Å; Q163-H167 PolarHBondContact O-N 3.44Å; M164-H167 PolarHBondContact O-N 2.92Å; D165-H167 PolarHBondContact O-N 3.38Å; H167-K170 PolarHBondContact O-N 3.47Å; H167-S171 PolarHBondContact O-N 2.87Å |
| 168 | K | 98.3 | Very high | 97.5 | Very high | 120 Ų | 120 | 106.8 Ų | 106.8 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 178.2 | -173.8 | 60.5 | 176.4 | 179.3 | 0 | 111.3 | M164 D165 E166 S171 L172 | M164-K168 WeakPolarHBondContact O-CB 3.35Å; M164-K168 PolarHBondContact O-N 2.93Å; D165-K168 CarbonylContact O-C 3.54Å; D165-K168 WeakPolarHBondContact O-CB 3.45Å; D165-K168 PolarHBondContact O-N 2.91Å; D165-K168 VanDerWaalsContact O-N 3.12Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.37Å; K168-S171 PolarHBondContact O-N 2.89Å; K168-S171 PolarHBondContact O-OG 2.85Å; K168-L172 HydrophobicContact CG-CD1 4.24Å; K168-L172 WeakPolarHBondContact O-CG 3.37Å; K168-L172 PolarHBondContact O-N 3.38Å |
| 169 | I | 97.9 | Very high | 97.5 | Very high | 113 Ų | 113 | 107.3 Ų | 107.3 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.3 | -49 | 175.7 | -70.6 | 165.7 | 0 | 0 | 0 | 110.1 | D165 E166 S171 L172 F173 | D165-I169 WeakPolarHBondContact O-CB 3.43Å; D165-I169 VanDerWaalsContact O-CG1 3.25Å; D165-I169 WeakPolarHBondContact O-CG1 3.37Å; D165-I169 PolarHBondContact O-N 3.09Å; E166-I169 PolarHBondContact O-N 2.67Å; I169-S171 VanDerWaalsContact C-N 3.3Å; I169-S171 PolarHBondContact O-N 2.96Å; I169-L172 PolarHBondContact O-N 3.29Å; I169-F173 WeakPolarHBondContact O-CB 3.3Å; I169-F173 PolarHBondContact O-N 2.71Å |
| 170 | K | 97.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 106 Ų | 106 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 176.5 | -74 | 170.8 | -176.3 | 166 | 0 | 111.9 | E166 H167 F173 L174 | E166-K170 WeakPolarHBondContact O-CB 3.43Å; E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.21Å; E166-K170 PolarHBondContact O-N 2.91Å; E166-K170 VanDerWaalsContact OE1-CE 3.24Å; E166-K170 WeakPolarHBondContact OE1-CE 3.39Å; E166-K170 IonicContact OE1-NZ 3.46Å; E166-K170 PolarHBondContact OE1-NZ 3.15Å; H167-K170 PolarHBondContact O-N 3.47Å; K170-F173 PolarHBondContact O-N 3.25Å; K170-L174 PolarHBondContact O-N 3.48Å; K170-L174 VanDerWaalsContact O-N 3.09Å |
| 171 | S | 97.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 103.9 Ų | 103.9 | 34% | 0.343 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 177.6 | 78.6 | 0 | 0 | 0 | 0 | 113.2 | H167 K168 I169 N175 | H167-S171 PolarHBondContact O-N 2.87Å; K168-S171 PolarHBondContact O-N 2.89Å; K168-S171 PolarHBondContact O-OG 2.85Å; I169-S171 VanDerWaalsContact C-N 3.3Å; I169-S171 PolarHBondContact O-N 2.96Å; S171-N175 PolarHBondContact O-N 3.41Å; S171-N175 VanDerWaalsContact O-N 3.13Å |
| 172 | L | 97.5 | Very high | 97.4 | Very high | 84 Ų | 84 | 99.9 Ų | 99.9 | 44% | 0.44 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 178 | -72 | 175 | 0 | 0 | 0 | 110.9 | K168 I169 N175 I176 | K168-L172 HydrophobicContact CG-CD1 4.24Å; K168-L172 WeakPolarHBondContact O-CG 3.37Å; K168-L172 PolarHBondContact O-N 3.38Å; I169-L172 PolarHBondContact O-N 3.29Å; L172-N175 PolarHBondContact O-N 3.35Å; L172-I176 WeakPolarHBondContact O-CG1 3.36Å; L172-I176 PolarHBondContact O-N 2.9Å |
| 173 | F | 98 | Very high | 97.5 | Very high | 138 Ų | 138 | 101.9 Ų | 101.9 | 61% | 0.605 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -47.5 | 176 | -168 | -91.4 | 0 | 0 | 0 | 111.4 | I169 K170 N175 I176 E177 | I169-F173 WeakPolarHBondContact O-CB 3.3Å; I169-F173 PolarHBondContact O-N 2.71Å; K170-F173 PolarHBondContact O-N 3.25Å; F173-N175 VanDerWaalsContact C-N 3.31Å; F173-N175 PolarHBondContact O-N 2.81Å; F173-I176 PolarHBondContact O-N 2.97Å; F173-I176 VanDerWaalsContact O-N 3.16Å; F173-E177 PolarHBondContact O-N 3.38Å |
| 174 | L | 97.8 | Very high | 97.4 | Very high | 111 Ų | 111 | 102.8 Ų | 102.8 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -37.8 | 176.6 | -171.3 | 132.4 | 0 | 0 | 0 | 112.4 | K170 E177 K178 | K170-L174 PolarHBondContact O-N 3.48Å; K170-L174 VanDerWaalsContact O-N 3.09Å; L174-E177 PolarHBondContact O-N 3.01Å; L174-K178 WeakPolarHBondContact O-CB 3.47Å; L174-K178 PolarHBondContact O-N 2.68Å |
| 175 | N | 97.8 | Very high | 97.4 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 174.1 | -79 | -24.7 | 0 | 0 | 0 | 112.8 | S171 L172 F173 K178 K179 | S171-N175 PolarHBondContact O-N 3.41Å; S171-N175 VanDerWaalsContact O-N 3.13Å; L172-N175 PolarHBondContact O-N 3.35Å; F173-N175 VanDerWaalsContact C-N 3.31Å; F173-N175 PolarHBondContact O-N 2.81Å; N175-K178 PolarHBondContact O-N 3.32Å; N175-K179 WeakPolarHBondContact O-CB 3.28Å; N175-K179 WeakPolarHBondContact O-CG 3.37Å; N175-K179 PolarHBondContact O-N 3.34Å |
| 176 | I | 97.4 | Very high | 97.4 | Very high | 110 Ų | 110 | 107.1 Ų | 107.1 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 175.2 | -71.4 | 167.2 | 0 | 0 | 0 | 109.9 | L172 F173 K179 T180 | L172-I176 WeakPolarHBondContact O-CG1 3.36Å; L172-I176 PolarHBondContact O-N 2.9Å; F173-I176 PolarHBondContact O-N 2.97Å; F173-I176 VanDerWaalsContact O-N 3.16Å; I176-K179 PolarHBondContact O-N 2.89Å; I176-T180 WeakPolarHBondContact O-CB 3.46Å; I176-T180 PolarHBondContact O-N 3.25Å; I176-T180 PolarHBondContact O-OG1 3.45Å |
| 177 | E | 97.2 | Very high | 97.4 | Very high | 110 Ų | 110 | 110.5 Ų | 110.5 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 178.5 | -172.2 | 172.4 | -168.3 | 0 | 0 | 111.4 | F173 L174 K179 T180 L181 | F173-E177 PolarHBondContact O-N 3.38Å; L174-E177 PolarHBondContact O-N 3.01Å; E177-K179 PolarHBondContact O-N 3.42Å; E177-T180 WeakPolarHBondContact O-CB 3.47Å; E177-T180 PolarHBondContact O-N 2.66Å; E177-L181 PolarHBondContact O-N 3.49Å |
| 178 | K | 97.7 | Very high | 97.4 | Very high | 122 Ų | 122 | 111.8 Ų | 111.8 | 53% | 0.53 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 174.7 | -175.9 | 177.5 | 178.1 | 177.5 | 0 | 112 | L174 N175 T180 L181 E182 | L174-K178 WeakPolarHBondContact O-CB 3.47Å; L174-K178 PolarHBondContact O-N 2.68Å; N175-K178 PolarHBondContact O-N 3.32Å; K178-T180 VanDerWaalsContact C-N 3.29Å; K178-T180 PolarHBondContact O-N 3.23Å; K178-L181 PolarHBondContact O-N 3.5Å; K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 WeakPolarHBondContact O-CG 3.47Å; K178-E182 PolarHBondContact O-N 3.31Å |
| 179 | K | 97.3 | Very high | 97.3 | Very high | 120 Ų | 120 | 108.7 Ų | 108.7 | 52% | 0.522 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 178.5 | -71.6 | -70.8 | 163.9 | -157.8 | 0 | 112.3 | N175 I176 E177 E182 V183 | N175-K179 WeakPolarHBondContact O-CB 3.28Å; N175-K179 WeakPolarHBondContact O-CG 3.37Å; N175-K179 PolarHBondContact O-N 3.34Å; I176-K179 PolarHBondContact O-N 2.89Å; E177-K179 PolarHBondContact O-N 3.42Å; K179-E182 WeakPolarHBondContact CD-OE2 3.42Å; K179-E182 IonicContact NZ-OE1 3.81Å; K179-E182 PolarHBondContact NZ-OE1 2.77Å; K179-E182 IonicContact NZ-OE2 2.84Å; K179-E182 PolarHBondContact NZ-OE2 2.98Å; K179-E182 PolarHBondContact O-N 3.31Å; K179-V183 VanDerWaalsContact O-CG2 3.28Å; K179-V183 WeakPolarHBondContact O-CG2 3.47Å; K179-V183 PolarHBondContact O-N 3.4Å |
| 180 | T | 96.3 | Very high | 97.2 | Very high | 64 Ų | 64 | 108.1 Ų | 108.1 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | I176 E177 K178 V183 K184 | I176-T180 WeakPolarHBondContact O-CB 3.46Å; I176-T180 PolarHBondContact O-N 3.25Å; I176-T180 PolarHBondContact O-OG1 3.45Å; E177-T180 WeakPolarHBondContact O-CB 3.47Å; E177-T180 PolarHBondContact O-N 2.66Å; K178-T180 VanDerWaalsContact C-N 3.29Å; K178-T180 PolarHBondContact O-N 3.23Å; T180-V183 PolarHBondContact O-N 3.06Å; T180-K184 WeakPolarHBondContact O-CG 3.41Å; T180-K184 PolarHBondContact O-N 3.41Å |
| 181 | L | 97.4 | Very high | 97.2 | Very high | 93 Ų | 93 | 106.4 Ų | 106.4 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 172.9 | -74.1 | 170.7 | 0 | 0 | 0 | 111.6 | E177 K178 V183 K184 E185 | E177-L181 PolarHBondContact O-N 3.49Å; K178-L181 PolarHBondContact O-N 3.5Å; L181-V183 VanDerWaalsContact C-N 3.28Å; L181-V183 PolarHBondContact O-N 2.88Å; L181-K184 WeakPolarHBondContact O-CB 3.49Å; L181-K184 PolarHBondContact O-N 2.71Å; L181-E185 PolarHBondContact O-N 2.87Å |
| 182 | E | 97.2 | Very high | 97.2 | Very high | 60 Ų | 60 | 109.8 Ų | 109.8 | 28% | 0.28 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.4 | -41.6 | 175.9 | -72.2 | 174.9 | -160 | 0 | 0 | 111.8 | K178 K179 E185 K186 | K178-E182 WeakPolarHBondContact CE-OE1 3.28Å; K178-E182 WeakPolarHBondContact O-CG 3.47Å; K178-E182 PolarHBondContact O-N 3.31Å; K179-E182 WeakPolarHBondContact CD-OE2 3.42Å; K179-E182 IonicContact NZ-OE1 3.81Å; K179-E182 PolarHBondContact NZ-OE1 2.77Å; K179-E182 IonicContact NZ-OE2 2.84Å; K179-E182 PolarHBondContact NZ-OE2 2.98Å; K179-E182 PolarHBondContact O-N 3.31Å; E182-E185 PolarHBondContact O-N 3.27Å; E182-K186 WeakPolarHBondContact O-CG 3.34Å; E182-K186 PolarHBondContact O-N 3.4Å |
| 183 | V | 97.6 | Very high | 97 | Very high | 97 Ų | 97 | 110.8 Ų | 110.8 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 175.8 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | K179 T180 L181 E185 K186 R187 | K179-V183 VanDerWaalsContact O-CG2 3.28Å; K179-V183 WeakPolarHBondContact O-CG2 3.47Å; K179-V183 PolarHBondContact O-N 3.4Å; T180-V183 PolarHBondContact O-N 3.06Å; L181-V183 VanDerWaalsContact C-N 3.28Å; L181-V183 PolarHBondContact O-N 2.88Å; V183-E185 VanDerWaalsContact C-N 3.35Å; V183-E185 PolarHBondContact O-N 3.45Å; V183-K186 PolarHBondContact O-N 3.21Å; V183-R187 WeakPolarHBondContact O-CB 3.34Å; V183-R187 PolarHBondContact O-N 3.01Å |
| 184 | K | 96.1 | Very high | 97 | Very high | 131 Ų | 131 | 109 Ų | 109 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 176.7 | -76.4 | 175.5 | 179 | 178.6 | 0 | 111.5 | T180 L181 R187 K188 | T180-K184 WeakPolarHBondContact O-CG 3.41Å; T180-K184 PolarHBondContact O-N 3.41Å; L181-K184 WeakPolarHBondContact O-CB 3.49Å; L181-K184 PolarHBondContact O-N 2.71Å; K184-R187 PolarHBondContact O-N 2.98Å; K184-K188 WeakPolarHBondContact O-CG 3.47Å; K184-K188 PolarHBondContact O-N 3.16Å |
| 185 | E | 97.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 108.1 Ų | 108.1 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -48.1 | 176.5 | -72.1 | 179.8 | 165 | 0 | 0 | 111.8 | L181 E182 V183 R187 K188 A189 | L181-E185 PolarHBondContact O-N 2.87Å; E182-E185 PolarHBondContact O-N 3.27Å; V183-E185 VanDerWaalsContact C-N 3.35Å; V183-E185 PolarHBondContact O-N 3.45Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 3.45Å; E185-K188 PolarHBondContact O-N 2.83Å; E185-A189 PolarHBondContact O-N 2.84Å |
| 186 | K | 96.9 | Very high | 96.9 | Very high | 159 Ų | 159 | 107.7 Ų | 107.7 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -36.4 | 176.6 | -74.8 | -168.4 | 179.1 | -173 | 0 | 112.7 | E182 V183 A189 L190 | E182-K186 WeakPolarHBondContact O-CG 3.34Å; E182-K186 PolarHBondContact O-N 3.4Å; V183-K186 PolarHBondContact O-N 3.21Å; K186-A189 PolarHBondContact O-N 2.96Å; K186-L190 WeakPolarHBondContact O-CB 3.45Å; K186-L190 PolarHBondContact O-N 3.35Å |
| 187 | R | 96.9 | Very high | 96.8 | Very high | 172 Ų | 172 | 106.6 Ų | 106.6 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | 176.1 | -170.2 | 157.5 | -175.6 | 163.7 | -0.4 | 112 | V183 K184 E185 A189 L190 D191 | V183-R187 WeakPolarHBondContact O-CB 3.34Å; V183-R187 PolarHBondContact O-N 3.01Å; K184-R187 PolarHBondContact O-N 2.98Å; E185-R187 VanDerWaalsContact C-N 3.28Å; E185-R187 PolarHBondContact O-N 3.45Å; R187-A189 VanDerWaalsContact C-N 3.31Å; R187-A189 PolarHBondContact O-N 3.45Å; R187-L190 PolarHBondContact O-N 3.33Å; R187-D191 VanDerWaalsContact O-CG 3.29Å; R187-D191 PolarHBondContact O-N 3.22Å |
| 188 | K | 97 | Very high | 96.7 | Very high | 159 Ų | 159 | 110 Ų | 110 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59 | -42.2 | 172.7 | -73.9 | 179.5 | 178.3 | -176.6 | 0 | 112 | K184 E185 D191 K192 | K184-K188 WeakPolarHBondContact O-CG 3.47Å; K184-K188 PolarHBondContact O-N 3.16Å; E185-K188 PolarHBondContact O-N 2.83Å; K188-D191 PolarHBondContact O-N 3.02Å; K188-K192 PolarHBondContact O-N 3.34Å |
| 189 | A | 96.4 | Very high | 96.6 | Very high | 54 Ų | 54 | 107.7 Ų | 107.7 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E185 K186 R187 D191 K192 E193 | E185-A189 PolarHBondContact O-N 2.84Å; K186-A189 PolarHBondContact O-N 2.96Å; R187-A189 VanDerWaalsContact C-N 3.31Å; R187-A189 PolarHBondContact O-N 3.45Å; A189-D191 PolarHBondContact O-N 3.23Å; A189-K192 WeakPolarHBondContact O-CB 3.47Å; A189-K192 PolarHBondContact O-N 2.95Å; A189-E193 WeakPolarHBondContact O-CG 3.45Å; A189-E193 PolarHBondContact O-N 2.9Å |
| 190 | L | 96.9 | Very high | 96.5 | Very high | 101 Ų | 101 | 104.4 Ų | 104.4 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 176.6 | 178.3 | 64.2 | 0 | 0 | 0 | 112.4 | K186 R187 K192 E193 L194 | K186-L190 WeakPolarHBondContact O-CB 3.45Å; K186-L190 PolarHBondContact O-N 3.35Å; R187-L190 PolarHBondContact O-N 3.33Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.41Å; L190-E193 PolarHBondContact O-N 3.04Å; L190-L194 HydrophobicContact CD1-CD1 4.4Å; L190-L194 HydrophobicContact CD1-CG 4.36Å; L190-L194 HydrophobicContact CG-CD1 4.12Å; L190-L194 WeakPolarHBondContact O-CB 3.42Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 2.88Å |
| 191 | D | 96.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 107 Ų | 107 | 43% | 0.428 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 177.9 | -68.6 | -25.3 | 0 | 0 | 0 | 110.6 | R187 K188 A189 L194 T195 | R187-D191 VanDerWaalsContact O-CG 3.29Å; R187-D191 PolarHBondContact O-N 3.22Å; K188-D191 PolarHBondContact O-N 3.02Å; A189-D191 PolarHBondContact O-N 3.23Å; D191-L194 PolarHBondContact O-N 3.42Å; D191-T195 WeakPolarHBondContact O-CG2 3.27Å; D191-T195 PolarHBondContact O-N 2.92Å; D191-T195 PolarHBondContact O-OG1 2.88Å |
| 192 | K | 97.1 | Very high | 96.4 | Very high | 120 Ų | 120 | 107.9 Ų | 107.9 | 52% | 0.522 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -53.3 | 174 | -169.1 | -179 | -178.6 | -90.6 | 0 | 111.5 | K188 A189 L190 L194 T195 E196 | K188-K192 PolarHBondContact O-N 3.34Å; A189-K192 WeakPolarHBondContact O-CB 3.47Å; A189-K192 PolarHBondContact O-N 2.95Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 3.41Å; K192-L194 VanDerWaalsContact C-N 3.28Å; K192-L194 PolarHBondContact O-N 2.92Å; K192-T195 PolarHBondContact O-N 3.49Å; K192-T195 VanDerWaalsContact O-N 3.09Å; K192-T195 PolarHBondContact O-OG1 3.42Å; K192-E196 VanDerWaalsContact CE-OE1 3.32Å; K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 IonicContact NZ-OE1 2.66Å; K192-E196 PolarHBondContact NZ-OE1 3.47Å; K192-E196 WeakPolarHBondContact O-CG 3.45Å; K192-E196 PolarHBondContact O-N 2.83Å |
| 193 | E | 95 | Very high | 96.2 | Very high | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.3 | -37.7 | 178.3 | -67.1 | -59.9 | 144.9 | 0 | 0 | 112.3 | A189 L190 E196 T197 | A189-E193 WeakPolarHBondContact O-CG 3.45Å; A189-E193 PolarHBondContact O-N 2.9Å; L190-E193 PolarHBondContact O-N 3.04Å; E193-E196 PolarHBondContact O-N 3.4Å; E193-T197 WeakPolarHBondContact O-CB 3.36Å; E193-T197 PolarHBondContact O-N 3.18Å; E193-T197 PolarHBondContact O-OG1 3.4Å |
| 194 | L | 97.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 108.3 Ų | 108.3 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 174 | -80.6 | 172 | 0 | 0 | 0 | 111.9 | L190 D191 K192 R198 | L190-L194 HydrophobicContact CD1-CD1 4.4Å; L190-L194 HydrophobicContact CD1-CG 4.36Å; L190-L194 HydrophobicContact CG-CD1 4.12Å; L190-L194 WeakPolarHBondContact O-CB 3.42Å; L190-L194 WeakPolarHBondContact O-CG 3.36Å; L190-L194 PolarHBondContact O-N 2.88Å; D191-L194 PolarHBondContact O-N 3.42Å; K192-L194 VanDerWaalsContact C-N 3.28Å; K192-L194 PolarHBondContact O-N 2.92Å; L194-R198 VanDerWaalsContact O-CB 3.26Å; L194-R198 WeakPolarHBondContact O-CB 3.46Å; L194-R198 PolarHBondContact O-N 3.48Å |
| 195 | T | 96.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 105.6 Ų | 105.6 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | D191 K192 R198 S199 | D191-T195 WeakPolarHBondContact O-CG2 3.27Å; D191-T195 PolarHBondContact O-N 2.92Å; D191-T195 PolarHBondContact O-OG1 2.88Å; K192-T195 PolarHBondContact O-N 3.49Å; K192-T195 VanDerWaalsContact O-N 3.09Å; K192-T195 PolarHBondContact O-OG1 3.42Å; T195-R198 PolarHBondContact O-N 2.83Å; T195-S199 WeakPolarHBondContact O-CB 3.45Å; T195-S199 PolarHBondContact O-N 3.36Å |
| 196 | E | 96.7 | Very high | 96.2 | Very high | 80 Ų | 80 | 104.5 Ų | 104.5 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | 176.6 | -70.7 | 179.6 | -164.2 | 0 | 0 | 110.9 | K192 E193 R198 S199 A200 | K192-E196 VanDerWaalsContact CE-OE1 3.32Å; K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 IonicContact NZ-OE1 2.66Å; K192-E196 PolarHBondContact NZ-OE1 3.47Å; K192-E196 WeakPolarHBondContact O-CG 3.45Å; K192-E196 PolarHBondContact O-N 2.83Å; E193-E196 PolarHBondContact O-N 3.4Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 3.25Å; E196-S199 PolarHBondContact O-N 3.4Å; E196-S199 VanDerWaalsContact O-N 3.15Å; E196-S199 PolarHBondContact O-OG 2.68Å; E196-A200 PolarHBondContact O-N 3.1Å |
| 197 | T | 95.8 | Very high | 96.2 | Very high | 86 Ų | 86 | 100.1 Ų | 100.1 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | E193 S199 A200 Q201 | E193-T197 WeakPolarHBondContact O-CB 3.36Å; E193-T197 PolarHBondContact O-N 3.18Å; E193-T197 PolarHBondContact O-OG1 3.4Å; T197-S199 VanDerWaalsContact C-N 3.34Å; T197-S199 PolarHBondContact O-N 2.69Å; T197-A200 PolarHBondContact O-N 2.98Å; T197-Q201 WeakPolarHBondContact O-CB 3.48Å; T197-Q201 PolarHBondContact O-N 2.89Å |
| 198 | R | 95.4 | Very high | 96.1 | Very high | 183 Ų | 183 | 95.9 Ų | 95.9 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.2 | -36.8 | 178.4 | -166.3 | 169.8 | -174.2 | 162.2 | 1.1 | 112 | L194 T195 E196 Q201 L202 | L194-R198 VanDerWaalsContact O-CB 3.26Å; L194-R198 WeakPolarHBondContact O-CB 3.46Å; L194-R198 PolarHBondContact O-N 3.48Å; T195-R198 PolarHBondContact O-N 2.83Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 3.25Å; R198-Q201 PolarHBondContact O-N 2.96Å; R198-L202 WeakPolarHBondContact O-CG 3.36Å; R198-L202 PolarHBondContact O-N 2.95Å |
| 199 | S | 95.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 93.1 Ų | 93.1 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 174.5 | 76.7 | 0 | 0 | 0 | 0 | 112.2 | T195 E196 T197 L202 A203 | T195-S199 WeakPolarHBondContact O-CB 3.45Å; T195-S199 PolarHBondContact O-N 3.36Å; E196-S199 PolarHBondContact O-N 3.4Å; E196-S199 VanDerWaalsContact O-N 3.15Å; E196-S199 PolarHBondContact O-OG 2.68Å; T197-S199 VanDerWaalsContact C-N 3.34Å; T197-S199 PolarHBondContact O-N 2.69Å; S199-L202 PolarHBondContact O-N 3.45Å; S199-A203 PolarHBondContact O-N 3.01Å |
| 200 | A | 95.6 | Very high | 96.1 | Very high | 52 Ų | 52 | 94.3 Ų | 94.3 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E196 T197 A203 L204 | E196-A200 PolarHBondContact O-N 3.1Å; T197-A200 PolarHBondContact O-N 2.98Å; A200-A203 WeakPolarHBondContact O-CB 3.4Å; A200-A203 PolarHBondContact O-N 3.3Å; A200-L204 WeakPolarHBondContact O-CG 3.47Å; A200-L204 PolarHBondContact O-N 3.24Å |
| 201 | Q | 93.9 | Very high | 96 | Very high | 117 Ų | 117 | 93.7 Ų | 93.7 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.5 | -169.1 | 170.9 | 6.4 | 0 | 0 | 111.9 | T197 R198 A203 L204 D205 | T197-Q201 WeakPolarHBondContact O-CB 3.48Å; T197-Q201 PolarHBondContact O-N 2.89Å; R198-Q201 PolarHBondContact O-N 2.96Å; Q201-A203 VanDerWaalsContact C-N 3.3Å; Q201-A203 PolarHBondContact O-N 2.91Å; Q201-L204 WeakPolarHBondContact O-CB 3.44Å; Q201-L204 PolarHBondContact O-N 3.33Å; Q201-L204 VanDerWaalsContact O-N 3.15Å; Q201-D205 PolarHBondContact O-N 2.97Å |
| 202 | L | 96.4 | Very high | 95.9 | Very high | 113 Ų | 113 | 95.6 Ų | 95.6 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -39.1 | 174.1 | -74.4 | 169.3 | 0 | 0 | 0 | 112.4 | R198 S199 D205 K206 | R198-L202 WeakPolarHBondContact O-CG 3.36Å; R198-L202 PolarHBondContact O-N 2.95Å; S199-L202 PolarHBondContact O-N 3.45Å; L202-D205 PolarHBondContact O-N 3.07Å; L202-K206 WeakPolarHBondContact O-CB 3.46Å; L202-K206 PolarHBondContact O-N 3Å |
| 203 | A | 94.8 | Very high | 95.9 | Very high | 58 Ų | 58 | 95.3 Ų | 95.3 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S199 A200 Q201 K206 T207 | S199-A203 PolarHBondContact O-N 3.01Å; A200-A203 WeakPolarHBondContact O-CB 3.4Å; A200-A203 PolarHBondContact O-N 3.3Å; Q201-A203 VanDerWaalsContact C-N 3.3Å; Q201-A203 PolarHBondContact O-N 2.91Å; A203-K206 PolarHBondContact O-N 3.46Å; A203-T207 WeakPolarHBondContact O-CG2 3.49Å; A203-T207 PolarHBondContact O-N 3.21Å |
| 204 | L | 96.4 | Very high | 95.9 | Very high | 108 Ų | 108 | 92.3 Ų | 92.3 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 174.6 | -73.7 | 172.3 | 0 | 0 | 0 | 111.8 | A200 Q201 K206 T207 I208 | A200-L204 WeakPolarHBondContact O-CG 3.47Å; A200-L204 PolarHBondContact O-N 3.24Å; Q201-L204 WeakPolarHBondContact O-CB 3.44Å; Q201-L204 PolarHBondContact O-N 3.33Å; Q201-L204 VanDerWaalsContact O-N 3.15Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.5Å; L204-T207 WeakPolarHBondContact CA-OG1 3.34Å; L204-T207 CarbonylContact O-C 3.6Å; L204-T207 PolarHBondContact O-N 2.83Å; L204-T207 PolarHBondContact O-OG1 2.93Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.47Å |
| 205 | D | 96.5 | Very high | 95.8 | Very high | 74 Ų | 74 | 95.4 Ų | 95.4 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 176.6 | -68 | -25.2 | 0 | 0 | 0 | 111 | Q201 L202 T207 I208 E209 | Q201-D205 PolarHBondContact O-N 2.97Å; L202-D205 PolarHBondContact O-N 3.07Å; D205-T207 VanDerWaalsContact C-N 3.33Å; D205-T207 PolarHBondContact O-N 3.18Å; D205-I208 WeakPolarHBondContact O-CB 3.47Å; D205-I208 PolarHBondContact O-N 3.43Å; D205-I208 VanDerWaalsContact O-N 3.15Å; D205-E209 WeakPolarHBondContact O-CG 3.33Å; D205-E209 PolarHBondContact O-N 3.39Å |
| 206 | K | 97.3 | Very high | 95.8 | Very high | 109 Ų | 109 | 93.6 Ų | 93.6 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 174.7 | -168.5 | 70.8 | -149.5 | 158.2 | 0 | 112.4 | L202 A203 L204 I208 E209 N210 | L202-K206 WeakPolarHBondContact O-CB 3.46Å; L202-K206 PolarHBondContact O-N 3Å; A203-K206 PolarHBondContact O-N 3.46Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.5Å; K206-I208 VanDerWaalsContact C-N 3.34Å; K206-E209 IonicContact NZ-OE2 3.06Å; K206-E209 PolarHBondContact NZ-OE2 3.06Å; K206-E209 PolarHBondContact O-N 2.72Å; K206-N210 PolarHBondContact O-N 2.94Å; K206-N210 PolarHBondContact O-ND2 2.94Å; K206-N210 PolarHBondContact O-OD1 2.88Å |
| 207 | T | 96.1 | Very high | 95.7 | Very high | 67 Ų | 67 | 94.8 Ų | 94.8 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 174.8 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | A203 L204 D205 N210 I211 | A203-T207 WeakPolarHBondContact O-CG2 3.49Å; A203-T207 PolarHBondContact O-N 3.21Å; L204-T207 WeakPolarHBondContact CA-OG1 3.34Å; L204-T207 CarbonylContact O-C 3.6Å; L204-T207 PolarHBondContact O-N 2.83Å; L204-T207 PolarHBondContact O-OG1 2.93Å; D205-T207 VanDerWaalsContact C-N 3.33Å; D205-T207 PolarHBondContact O-N 3.18Å; T207-N210 PolarHBondContact O-N 3.34Å; T207-I211 VanDerWaalsContact O-CG1 3.28Å; T207-I211 WeakPolarHBondContact O-CG1 3.41Å; T207-I211 PolarHBondContact O-N 3.43Å |
| 208 | I | 95.8 | Very high | 95.7 | Very high | 83 Ų | 83 | 94.9 Ų | 94.9 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 175.2 | -69.4 | 166.6 | 0 | 0 | 0 | 110 | L204 D205 K206 N210 I211 Q212 | L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.47Å; D205-I208 WeakPolarHBondContact O-CB 3.47Å; D205-I208 PolarHBondContact O-N 3.43Å; D205-I208 VanDerWaalsContact O-N 3.15Å; K206-I208 VanDerWaalsContact C-N 3.34Å; I208-N210 VanDerWaalsContact C-N 3.32Å; I208-N210 PolarHBondContact O-N 2.9Å; I208-I211 PolarHBondContact O-N 3.19Å; I208-I211 VanDerWaalsContact O-N 3.16Å; I208-Q212 HydrophobicContact CG2-CG 4.46Å; I208-Q212 WeakPolarHBondContact O-CG 3.49Å; I208-Q212 PolarHBondContact O-N 3.46Å |
| 209 | E | 95.9 | Very high | 95.6 | Very high | 101 Ų | 101 | 92.3 Ų | 92.3 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 173.5 | -74.6 | 177.9 | -179.7 | 0 | 0 | 111.3 | D205 K206 I211 Q212 Q213 | D205-E209 WeakPolarHBondContact O-CG 3.33Å; D205-E209 PolarHBondContact O-N 3.39Å; K206-E209 IonicContact NZ-OE2 3.06Å; K206-E209 PolarHBondContact NZ-OE2 3.06Å; K206-E209 PolarHBondContact O-N 2.72Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3Å; E209-Q212 PolarHBondContact O-N 3.34Å; E209-Q213 PolarHBondContact O-N 3.03Å |
| 210 | N | 96.3 | Very high | 95.6 | Very high | 79 Ų | 79 | 95 Ų | 95 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 177.7 | -66.5 | -12.9 | 0 | 0 | 0 | 111.9 | K206 T207 I208 Q213 A214 | K206-N210 PolarHBondContact O-N 2.94Å; K206-N210 PolarHBondContact O-ND2 2.94Å; K206-N210 PolarHBondContact O-OD1 2.88Å; T207-N210 PolarHBondContact O-N 3.34Å; I208-N210 VanDerWaalsContact C-N 3.32Å; I208-N210 PolarHBondContact O-N 2.9Å; N210-Q213 PolarHBondContact O-N 3.18Å; N210-A214 WeakPolarHBondContact O-CB 3.23Å; N210-A214 PolarHBondContact O-N 3.07Å |
| 211 | I | 94.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 97.3 Ų | 97.3 | 46% | 0.456 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 175.5 | -71.3 | 165.1 | 0 | 0 | 0 | 111 | T207 I208 E209 Q213 A214 R215 | T207-I211 VanDerWaalsContact O-CG1 3.28Å; T207-I211 WeakPolarHBondContact O-CG1 3.41Å; T207-I211 PolarHBondContact O-N 3.43Å; I208-I211 PolarHBondContact O-N 3.19Å; I208-I211 VanDerWaalsContact O-N 3.16Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; I211-A214 PolarHBondContact O-N 2.92Å; I211-R215 HydrophobicContact CG2-CG 4.47Å; I211-R215 WeakPolarHBondContact O-CB 3.25Å; I211-R215 WeakPolarHBondContact O-CG 3.27Å; I211-R215 PolarHBondContact O-N 3.18Å |
| 212 | Q | 96 | Very high | 95.6 | Very high | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 176.7 | -72.6 | 177.8 | -1.3 | 0 | 0 | 111.2 | I208 E209 R215 A216 | I208-Q212 HydrophobicContact CG2-CG 4.46Å; I208-Q212 WeakPolarHBondContact O-CG 3.49Å; I208-Q212 PolarHBondContact O-N 3.46Å; E209-Q212 PolarHBondContact O-N 3.34Å; Q212-R215 WeakPolarHBondContact O-CB 3.45Å; Q212-R215 PolarHBondContact O-N 3.29Å; Q212-A216 PolarHBondContact O-N 3.44Å |
| 213 | Q | 96.3 | Very high | 95.5 | Very high | 114 Ų | 114 | 98.3 Ų | 98.3 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 173.9 | -174.9 | -178.4 | -17.3 | 0 | 0 | 111.4 | E209 N210 I211 R215 A216 E217 | E209-Q213 PolarHBondContact O-N 3.03Å; N210-Q213 PolarHBondContact O-N 3.18Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; Q213-R215 VanDerWaalsContact C-N 3.27Å; Q213-R215 PolarHBondContact O-N 2.82Å; Q213-A216 WeakPolarHBondContact O-CB 3.38Å; Q213-A216 PolarHBondContact O-N 2.67Å; Q213-A216 VanDerWaalsContact O-N 3.08Å; Q213-E217 PolarHBondContact NE2-OE1 3.03Å; Q213-E217 VanDerWaalsContact NE2-OE1 3.07Å; Q213-E217 WeakPolarHBondContact O-CG 3.39Å; Q213-E217 PolarHBondContact O-N 3.47Å |
| 214 | A | 94.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 100 Ų | 100 | 34% | 0.339 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N210 I211 E217 I218 | N210-A214 WeakPolarHBondContact O-CB 3.23Å; N210-A214 PolarHBondContact O-N 3.07Å; I211-A214 PolarHBondContact O-N 2.92Å; A214-E217 PolarHBondContact O-N 3.37Å; A214-I218 WeakPolarHBondContact O-CB 3.45Å; A214-I218 VanDerWaalsContact O-CG1 3.24Å; A214-I218 WeakPolarHBondContact O-CG1 3.34Å; A214-I218 PolarHBondContact O-N 3.35Å |
| 215 | R | 94.8 | Very high | 95.3 | Very high | 165 Ų | 165 | 98.3 Ų | 98.3 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 173.8 | -79.1 | 177.5 | 175.9 | -174.5 | -0.1 | 112.2 | I211 Q212 Q213 E217 I218 Q219 | I211-R215 HydrophobicContact CG2-CG 4.47Å; I211-R215 WeakPolarHBondContact O-CB 3.25Å; I211-R215 WeakPolarHBondContact O-CG 3.27Å; I211-R215 PolarHBondContact O-N 3.18Å; Q212-R215 WeakPolarHBondContact O-CB 3.45Å; Q212-R215 PolarHBondContact O-N 3.29Å; Q213-R215 VanDerWaalsContact C-N 3.27Å; Q213-R215 PolarHBondContact O-N 2.82Å; R215-E217 VanDerWaalsContact C-N 3.34Å; R215-I218 PolarHBondContact O-N 3.17Å; R215-Q219 WeakPolarHBondContact O-CB 3.3Å; R215-Q219 WeakPolarHBondContact O-CG 3.4Å; R215-Q219 PolarHBondContact O-N 3.18Å |
| 216 | A | 95.9 | Very high | 95.2 | Very high | 54 Ų | 54 | 99.6 Ų | 99.6 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q212 Q213 Q219 H220 | Q212-A216 PolarHBondContact O-N 3.44Å; Q213-A216 WeakPolarHBondContact O-CB 3.38Å; Q213-A216 PolarHBondContact O-N 2.67Å; Q213-A216 VanDerWaalsContact O-N 3.08Å; A216-Q219 PolarHBondContact O-N 2.95Å; A216-H220 WeakPolarHBondContact O-CB 3.4Å; A216-H220 PolarHBondContact O-N 3.42Å |
| 217 | E | 95.4 | Very high | 95.1 | Very high | 106 Ų | 106 | 98.1 Ų | 98.1 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.8 | -69.4 | 171.5 | -166.8 | 0 | 0 | 111.8 | Q213 A214 R215 H220 L221 | Q213-E217 PolarHBondContact NE2-OE1 3.03Å; Q213-E217 VanDerWaalsContact NE2-OE1 3.07Å; Q213-E217 WeakPolarHBondContact O-CG 3.39Å; Q213-E217 PolarHBondContact O-N 3.47Å; A214-E217 PolarHBondContact O-N 3.37Å; R215-E217 VanDerWaalsContact C-N 3.34Å; E217-H220 WeakPolarHBondContact O-CB 3.46Å; E217-H220 PolarHBondContact O-N 2.9Å; E217-L221 WeakPolarHBondContact O-CG 3.48Å; E217-L221 PolarHBondContact O-N 2.95Å |
| 218 | I | 94.9 | Very high | 95 | Very high | 88 Ų | 88 | 98 Ų | 98 | 45% | 0.451 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 175.4 | -71.7 | 166.3 | 0 | 0 | 0 | 111.2 | A214 R215 H220 L221 F222 | A214-I218 WeakPolarHBondContact O-CB 3.45Å; A214-I218 VanDerWaalsContact O-CG1 3.24Å; A214-I218 WeakPolarHBondContact O-CG1 3.34Å; A214-I218 PolarHBondContact O-N 3.35Å; R215-I218 PolarHBondContact O-N 3.17Å; I218-H220 VanDerWaalsContact C-N 3.31Å; I218-H220 PolarHBondContact O-N 2.83Å; I218-L221 PolarHBondContact O-N 3.41Å; I218-F222 HydrophobicContact CG2-CD2 3.61Å; I218-F222 HydrophobicContact CG2-CE2 3.37Å; I218-F222 HydrophobicContact CG2-CZ 4.43Å; I218-F222 VanDerWaalsContact O-CD2 3.29Å; I218-F222 WeakPolarHBondContact O-CD2 3.5Å; I218-F222 PolarHBondContact O-N 3.16Å |
| 219 | Q | 95.1 | Very high | 94.8 | Very high | 128 Ų | 128 | 98.6 Ų | 98.6 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -40.8 | 177.1 | -77.2 | 178 | -13.1 | 0 | 0 | 112.1 | R215 A216 F222 H223 | R215-Q219 WeakPolarHBondContact O-CB 3.3Å; R215-Q219 WeakPolarHBondContact O-CG 3.4Å; R215-Q219 PolarHBondContact O-N 3.18Å; A216-Q219 PolarHBondContact O-N 2.95Å; Q219-F222 PolarHBondContact O-N 3.47Å; Q219-H223 PolarHBondContact O-N 2.98Å; Q219-H223 PolarHBondContact O-ND1 3.47Å |
| 220 | H | 94.9 | Very high | 94.7 | Very high | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 174.2 | 177.9 | -89.6 | 0 | 0 | 0 | 111.7 | A216 E217 I218 F222 H223 L224 | A216-H220 WeakPolarHBondContact O-CB 3.4Å; A216-H220 PolarHBondContact O-N 3.42Å; E217-H220 WeakPolarHBondContact O-CB 3.46Å; E217-H220 PolarHBondContact O-N 2.9Å; I218-H220 VanDerWaalsContact C-N 3.31Å; I218-H220 PolarHBondContact O-N 2.83Å; H220-F222 PolarHBondContact O-N 3.3Å; H220-H223 PolarHBondContact O-N 2.9Å; H220-L224 PolarHBondContact O-N 3.44Å |
| 221 | L | 95.4 | Very high | 94.5 | Very high | 101 Ų | 101 | 102.4 Ų | 102.4 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.5 | -72 | 174.4 | 0 | 0 | 0 | 112.3 | E217 I218 L224 C225 | E217-L221 WeakPolarHBondContact O-CG 3.48Å; E217-L221 PolarHBondContact O-N 2.95Å; I218-L221 PolarHBondContact O-N 3.41Å; L221-L224 PolarHBondContact O-N 2.96Å; L221-C225 WeakPolarHBondContact O-CB 3.35Å; L221-C225 PolarHBondContact O-N 3.06Å |
| 222 | F | 93.6 | Very high | 94.2 | Very high | 132 Ų | 132 | 103.9 Ų | 103.9 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 173.7 | -83 | -57.8 | 0 | 0 | 0 | 111.8 | I218 Q219 H220 L224 C225 E226 | I218-F222 HydrophobicContact CG2-CD2 3.61Å; I218-F222 HydrophobicContact CG2-CE2 3.37Å; I218-F222 HydrophobicContact CG2-CZ 4.43Å; I218-F222 VanDerWaalsContact O-CD2 3.29Å; I218-F222 WeakPolarHBondContact O-CD2 3.5Å; I218-F222 PolarHBondContact O-N 3.16Å; Q219-F222 PolarHBondContact O-N 3.47Å; H220-F222 PolarHBondContact O-N 3.3Å; F222-L224 VanDerWaalsContact C-N 3.31Å; F222-L224 PolarHBondContact O-N 2.77Å; F222-C225 PolarHBondContact O-N 3.27Å; F222-E226 WeakPolarHBondContact O-CB 3.31Å; F222-E226 WeakPolarHBondContact O-CG 3.42Å; F222-E226 PolarHBondContact O-N 2.9Å |
| 223 | H | 93.9 | Very high | 93.9 | Very high | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 175.5 | -81.6 | 57.9 | 0 | 0 | 0 | 111.9 | Q219 H220 E226 N227 | Q219-H223 PolarHBondContact O-N 2.98Å; Q219-H223 PolarHBondContact O-ND1 3.47Å; H220-H223 PolarHBondContact O-N 2.9Å; H223-E226 PolarHBondContact O-N 2.7Å; H223-N227 WeakPolarHBondContact O-CB 3.3Å; H223-N227 PolarHBondContact O-N 3.41Å; H223-N227 PolarHBondContact O-ND2 3.28Å |
| 224 | L | 95 | Very high | 93.7 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.6 | -173 | 66.5 | 0 | 0 | 0 | 111.8 | H220 L221 F222 N227 T228 | H220-L224 PolarHBondContact O-N 3.44Å; L221-L224 PolarHBondContact O-N 2.96Å; F222-L224 VanDerWaalsContact C-N 3.31Å; F222-L224 PolarHBondContact O-N 2.77Å; L224-N227 PolarHBondContact O-N 3.01Å; L224-T228 WeakPolarHBondContact O-CB 3.49Å; L224-T228 PolarHBondContact O-N 3.27Å; L224-T228 PolarHBondContact O-OG1 2.96Å |
| 225 | C | 93.3 | Very high | 93.5 | Very high | 71 Ų | 71 | 107.7 Ų | 107.7 | 48% | 0.48 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 174.7 | -80.1 | 0 | 0 | 0 | 0 | 111.7 | L221 F222 N227 T228 I229 | L221-C225 WeakPolarHBondContact O-CB 3.35Å; L221-C225 PolarHBondContact O-N 3.06Å; F222-C225 PolarHBondContact O-N 3.27Å; C225-N227 VanDerWaalsContact C-N 3.32Å; C225-N227 PolarHBondContact O-N 3.45Å; C225-T228 PolarHBondContact O-N 2.85Å; C225-I229 WeakPolarHBondContact O-CB 3.36Å; C225-I229 VanDerWaalsContact O-CG1 3.27Å; C225-I229 WeakPolarHBondContact O-CG1 3.44Å; C225-I229 PolarHBondContact O-N 3.44Å |
| 226 | E | 94.4 | Very high | 93.4 | Very high | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 176 | -77.3 | -176.6 | 180 | 0 | 0 | 111.9 | F222 H223 T228 I229 K230 | F222-E226 WeakPolarHBondContact O-CB 3.31Å; F222-E226 WeakPolarHBondContact O-CG 3.42Å; F222-E226 PolarHBondContact O-N 2.9Å; H223-E226 PolarHBondContact O-N 2.7Å; E226-T228 VanDerWaalsContact C-N 3.35Å; E226-I229 PolarHBondContact O-N 3.15Å; E226-K230 WeakPolarHBondContact O-CB 3.1Å; E226-K230 WeakPolarHBondContact O-CG 3.3Å; E226-K230 PolarHBondContact O-N 3.06Å |
| 227 | N | 93.9 | Very high | 93.1 | Very high | 79 Ų | 79 | 103.2 Ų | 103.2 | 42% | 0.422 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.9 | -73.1 | -19.6 | 0 | 0 | 0 | 111.6 | H223 L224 C225 K230 Q231 | H223-N227 WeakPolarHBondContact O-CB 3.3Å; H223-N227 PolarHBondContact O-N 3.41Å; H223-N227 PolarHBondContact O-ND2 3.28Å; L224-N227 PolarHBondContact O-N 3.01Å; C225-N227 VanDerWaalsContact C-N 3.32Å; C225-N227 PolarHBondContact O-N 3.45Å; N227-K230 PolarHBondContact O-N 3.44Å; N227-Q231 WeakPolarHBondContact O-CG 3.3Å; N227-Q231 PolarHBondContact O-N 3.36Å |
| 228 | T | 93.7 | Very high | 92.9 | Very high | 64 Ų | 64 | 101 Ų | 101 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | L224 C225 E226 Q231 K232 | L224-T228 WeakPolarHBondContact O-CB 3.49Å; L224-T228 PolarHBondContact O-N 3.27Å; L224-T228 PolarHBondContact O-OG1 2.96Å; C225-T228 PolarHBondContact O-N 2.85Å; E226-T228 VanDerWaalsContact C-N 3.35Å; T228-Q231 PolarHBondContact O-N 2.98Å; T228-K232 WeakPolarHBondContact O-CB 2.98Å; T228-K232 WeakPolarHBondContact O-CG 3.43Å; T228-K232 PolarHBondContact O-N 2.88Å |
| 229 | I | 92.6 | Very high | 92.7 | Very high | 95 Ų | 95 | 102.5 Ų | 102.5 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.6 | -69.2 | 165.4 | 0 | 0 | 0 | 110.5 | C225 E226 Q231 K232 K233 | C225-I229 WeakPolarHBondContact O-CB 3.36Å; C225-I229 VanDerWaalsContact O-CG1 3.27Å; C225-I229 WeakPolarHBondContact O-CG1 3.44Å; C225-I229 PolarHBondContact O-N 3.44Å; E226-I229 PolarHBondContact O-N 3.15Å; I229-Q231 VanDerWaalsContact C-N 3.35Å; I229-Q231 PolarHBondContact O-N 3.3Å; I229-K232 PolarHBondContact O-N 3.09Å; I229-K233 HydrophobicContact CG2-CD 4.33Å; I229-K233 HydrophobicContact CG2-CG 4.43Å; I229-K233 WeakPolarHBondContact O-CG 3.24Å; I229-K233 PolarHBondContact O-N 2.85Å |
| 230 | K | 93.1 | Very high | 92.5 | Very high | 131 Ų | 131 | 102.5 Ų | 102.5 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.3 | -45.7 | 174.8 | -74.8 | 171.5 | -175.5 | 168.8 | 0 | 111.2 | E226 N227 K232 K233 Q234 | E226-K230 WeakPolarHBondContact O-CB 3.1Å; E226-K230 WeakPolarHBondContact O-CG 3.3Å; E226-K230 PolarHBondContact O-N 3.06Å; N227-K230 PolarHBondContact O-N 3.44Å; K230-K232 PolarHBondContact O-N 3.44Å; K230-K233 PolarHBondContact O-N 3.34Å; K230-Q234 PolarHBondContact O-N 3.18Å |
| 231 | Q | 93 | Very high | 92.2 | Very high | 129 Ų | 129 | 101.1 Ų | 101.1 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 174.9 | -73.4 | 176.3 | -0.4 | 0 | 0 | 111.9 | N227 T228 I229 Q234 L235 | N227-Q231 WeakPolarHBondContact O-CG 3.3Å; N227-Q231 PolarHBondContact O-N 3.36Å; T228-Q231 PolarHBondContact O-N 2.98Å; I229-Q231 VanDerWaalsContact C-N 3.35Å; I229-Q231 PolarHBondContact O-N 3.3Å; Q231-Q234 PolarHBondContact O-N 3.24Å; Q231-L235 WeakPolarHBondContact O-CG 3.39Å; Q231-L235 PolarHBondContact O-N 2.92Å |
| 232 | K | 87.9 | Confident | 91.9 | Very high | 121 Ų | 121 | 99.6 Ų | 99.6 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.3 | -75.5 | -72 | -177.3 | 179.7 | 0 | 112.4 | T228 I229 K230 Q234 L235 D236 | T228-K232 WeakPolarHBondContact O-CB 2.98Å; T228-K232 WeakPolarHBondContact O-CG 3.43Å; T228-K232 PolarHBondContact O-N 2.88Å; I229-K232 PolarHBondContact O-N 3.09Å; K230-K232 PolarHBondContact O-N 3.44Å; K232-Q234 VanDerWaalsContact C-N 3.29Å; K232-Q234 PolarHBondContact O-N 3.13Å; K232-L235 PolarHBondContact O-N 3.47Å; K232-L235 VanDerWaalsContact O-N 3.17Å; K232-D236 PolarHBondContact O-N 3.22Å |
| 233 | K | 90.4 | Very high | 91.6 | Very high | 144 Ų | 144 | 96.5 Ų | 96.5 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.9 | -39.5 | 174.5 | -75.2 | -177.4 | 177 | -175.4 | 0 | 112.3 | I229 K230 D236 S237 | I229-K233 HydrophobicContact CG2-CD 4.33Å; I229-K233 HydrophobicContact CG2-CG 4.43Å; I229-K233 WeakPolarHBondContact O-CG 3.24Å; I229-K233 PolarHBondContact O-N 2.85Å; K230-K233 PolarHBondContact O-N 3.34Å; K233-D236 PolarHBondContact O-N 3.05Å; K233-S237 WeakPolarHBondContact O-CB 3.18Å; K233-S237 PolarHBondContact O-N 3.47Å |
| 234 | Q | 91.5 | Very high | 91.4 | Very high | 107 Ų | 107 | 95.8 Ų | 95.8 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 175 | -174.5 | 60.7 | 41.5 | 0 | 0 | 111.2 | K230 Q231 K232 D236 S237 D238 | K230-Q234 PolarHBondContact O-N 3.18Å; Q231-Q234 PolarHBondContact O-N 3.24Å; K232-Q234 VanDerWaalsContact C-N 3.29Å; K232-Q234 PolarHBondContact O-N 3.13Å; Q234-D236 VanDerWaalsContact C-N 3.31Å; Q234-D236 PolarHBondContact O-N 2.94Å; Q234-S237 PolarHBondContact O-N 3.45Å; Q234-D238 PolarHBondContact NE2-OD1 3.24Å; Q234-D238 WeakPolarHBondContact O-CB 3.48Å; Q234-D238 PolarHBondContact O-N 2.82Å |
| 235 | L | 90.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 97.7 Ų | 97.7 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 176.4 | -71.9 | 172.1 | 0 | 0 | 0 | 112.3 | Q231 K232 D238 M239 | Q231-L235 WeakPolarHBondContact O-CG 3.39Å; Q231-L235 PolarHBondContact O-N 2.92Å; K232-L235 PolarHBondContact O-N 3.47Å; K232-L235 VanDerWaalsContact O-N 3.17Å; L235-D238 PolarHBondContact O-N 3.37Å; L235-M239 VanDerWaalsContact O-CB 3.25Å; L235-M239 WeakPolarHBondContact O-CB 3.36Å; L235-M239 PolarHBondContact O-N 3.42Å |
| 236 | D | 92.2 | Very high | 90.9 | Very high | 79 Ų | 79 | 99 Ų | 99 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.7 | -70.6 | -26.9 | 0 | 0 | 0 | 110.9 | K232 K233 Q234 M239 E240 | K232-D236 PolarHBondContact O-N 3.22Å; K233-D236 PolarHBondContact O-N 3.05Å; Q234-D236 VanDerWaalsContact C-N 3.31Å; Q234-D236 PolarHBondContact O-N 2.94Å; D236-M239 WeakPolarHBondContact O-CB 3.45Å; D236-M239 PolarHBondContact O-N 2.79Å; D236-E240 WeakPolarHBondContact O-CG 3.46Å; D236-E240 PolarHBondContact O-N 3.42Å |
| 237 | S | 90.9 | Very high | 90.6 | Very high | 46 Ų | 46 | 96.9 Ų | 96.9 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.4 | -169.7 | 0 | 0 | 0 | 0 | 112.2 | K233 Q234 M239 E240 Q241 | K233-S237 WeakPolarHBondContact O-CB 3.18Å; K233-S237 PolarHBondContact O-N 3.47Å; Q234-S237 PolarHBondContact O-N 3.45Å; S237-M239 VanDerWaalsContact C-N 3.3Å; S237-M239 PolarHBondContact O-N 2.86Å; S237-E240 PolarHBondContact O-N 3.49Å; S237-Q241 WeakPolarHBondContact O-CG 3.31Å; S237-Q241 PolarHBondContact O-N 3.18Å |
| 238 | D | 90.9 | Very high | 90.4 | Very high | 61 Ų | 61 | 98 Ų | 98 | 33% | 0.326 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 176 | -66.4 | -17.7 | 0 | 0 | 0 | 111 | Q234 L235 Q241 C242 | Q234-D238 PolarHBondContact NE2-OD1 3.24Å; Q234-D238 WeakPolarHBondContact O-CB 3.48Å; Q234-D238 PolarHBondContact O-N 2.82Å; L235-D238 PolarHBondContact O-N 3.37Å; D238-Q241 PolarHBondContact O-N 3.21Å; D238-C242 WeakPolarHBondContact O-CB 3.47Å; D238-C242 PolarHBondContact O-N 2.72Å; D238-C242 PolarHBondContact O-SG 3.47Å |
| 239 | M | 90.3 | Very high | 90.1 | Very high | 118 Ų | 118 | 96.5 Ų | 96.5 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.5 | -42.3 | 175 | -177.7 | 173.9 | 58.2 | 0 | 0 | 111.6 | L235 D236 S237 C242 S243 | L235-M239 VanDerWaalsContact O-CB 3.25Å; L235-M239 WeakPolarHBondContact O-CB 3.36Å; L235-M239 PolarHBondContact O-N 3.42Å; D236-M239 WeakPolarHBondContact O-CB 3.45Å; D236-M239 PolarHBondContact O-N 2.79Å; S237-M239 VanDerWaalsContact C-N 3.3Å; S237-M239 PolarHBondContact O-N 2.86Å; M239-C242 PolarHBondContact O-N 2.88Å; M239-S243 WeakPolarHBondContact O-CB 3.35Å; M239-S243 PolarHBondContact O-N 2.68Å |
| 240 | E | 90.6 | Very high | 89.9 | Confident | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.603 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.1 | -46.6 | 172.5 | -76.3 | 178.1 | 177.3 | 0 | 0 | 110.9 | D236 S237 C242 S243 L244 | D236-E240 WeakPolarHBondContact O-CG 3.46Å; D236-E240 PolarHBondContact O-N 3.42Å; S237-E240 PolarHBondContact O-N 3.49Å; E240-C242 VanDerWaalsContact C-N 3.33Å; E240-C242 PolarHBondContact O-N 3.27Å; E240-S243 WeakPolarHBondContact O-CB 3.29Å; E240-S243 PolarHBondContact O-N 3.3Å; E240-S243 VanDerWaalsContact O-N 3.16Å; E240-S243 PolarHBondContact O-OG 3.11Å; E240-L244 PolarHBondContact O-N 2.99Å |
| 241 | Q | 89.8 | Confident | 89.6 | Confident | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.7 | -72.6 | -177.6 | 19.6 | 0 | 0 | 112.1 | S237 D238 L244 K245 | S237-Q241 WeakPolarHBondContact O-CG 3.31Å; S237-Q241 PolarHBondContact O-N 3.18Å; D238-Q241 PolarHBondContact O-N 3.21Å; Q241-L244 PolarHBondContact O-N 2.88Å; Q241-K245 WeakPolarHBondContact O-CG 3.29Å; Q241-K245 PolarHBondContact O-N 3.2Å |
| 242 | C | 89.3 | Confident | 89.4 | Confident | 69 Ų | 69 | 98.3 Ų | 98.3 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 174.9 | -72.6 | 0 | 0 | 0 | 0 | 111.4 | D238 M239 E240 L244 K245 I246 | D238-C242 WeakPolarHBondContact O-CB 3.47Å; D238-C242 PolarHBondContact O-N 2.72Å; D238-C242 PolarHBondContact O-SG 3.47Å; M239-C242 PolarHBondContact O-N 2.88Å; E240-C242 VanDerWaalsContact C-N 3.33Å; E240-C242 PolarHBondContact O-N 3.27Å; C242-L244 VanDerWaalsContact C-N 3.29Å; C242-L244 PolarHBondContact O-N 2.83Å; C242-K245 PolarHBondContact O-N 3.49Å; C242-I246 VanDerWaalsContact O-CG1 3.31Å; C242-I246 WeakPolarHBondContact O-CG1 3.27Å; C242-I246 PolarHBondContact O-N 3.41Å |
| 243 | S | 86.4 | Confident | 89.3 | Confident | 67 Ų | 67 | 96.3 Ų | 96.3 | 47% | 0.469 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 176.8 | 83.3 | 0 | 0 | 0 | 0 | 111.7 | M239 E240 I246 A247 | M239-S243 WeakPolarHBondContact O-CB 3.35Å; M239-S243 PolarHBondContact O-N 2.68Å; E240-S243 WeakPolarHBondContact O-CB 3.29Å; E240-S243 PolarHBondContact O-N 3.3Å; E240-S243 VanDerWaalsContact O-N 3.16Å; E240-S243 PolarHBondContact O-OG 3.11Å; S243-I246 PolarHBondContact O-N 3.38Å; S243-A247 WeakPolarHBondContact O-CB 3.49Å; S243-A247 PolarHBondContact O-N 3.06Å |
| 244 | L | 90.6 | Very high | 89.1 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 176.9 | -164.4 | 113.9 | 0 | 0 | 0 | 111.2 | E240 Q241 C242 I246 A247 Q248 | E240-L244 PolarHBondContact O-N 2.99Å; Q241-L244 PolarHBondContact O-N 2.88Å; C242-L244 VanDerWaalsContact C-N 3.29Å; C242-L244 PolarHBondContact O-N 2.83Å; L244-I246 VanDerWaalsContact C-N 3.32Å; L244-I246 PolarHBondContact O-N 2.97Å; L244-A247 PolarHBondContact O-N 3.36Å; L244-Q248 WeakPolarHBondContact O-CB 3.43Å; L244-Q248 WeakPolarHBondContact O-CG 3.49Å; L244-Q248 PolarHBondContact O-N 3Å |
| 245 | K | 89.7 | Confident | 88.8 | Confident | 135 Ų | 135 | 96.8 Ų | 96.8 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.4 | -41.1 | 173.7 | -73.8 | 175 | -178 | 170.8 | 0 | 111.8 | Q241 C242 Q248 G249 | Q241-K245 WeakPolarHBondContact O-CG 3.29Å; Q241-K245 PolarHBondContact O-N 3.2Å; C242-K245 PolarHBondContact O-N 3.49Å; K245-Q248 PolarHBondContact O-N 3.36Å; K245-G249 PolarHBondContact O-N 2.95Å |
| 246 | I | 88.1 | Confident | 88.5 | Confident | 100 Ų | 100 | 99.3 Ų | 99.3 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 174.9 | -69.2 | 167.4 | 0 | 0 | 0 | 110.6 | C242 S243 L244 G249 R250 | C242-I246 VanDerWaalsContact O-CG1 3.31Å; C242-I246 WeakPolarHBondContact O-CG1 3.27Å; C242-I246 PolarHBondContact O-N 3.41Å; S243-I246 PolarHBondContact O-N 3.38Å; L244-I246 VanDerWaalsContact C-N 3.32Å; L244-I246 PolarHBondContact O-N 2.97Å; I246-G249 PolarHBondContact O-N 3.45Å; I246-R250 HydrophobicContact CG2-CG 4.47Å; I246-R250 WeakPolarHBondContact O-CG 3.47Å; I246-R250 PolarHBondContact O-N 3.26Å |
| 247 | A | 88.2 | Confident | 88.1 | Confident | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S243 L244 G249 R250 Q251 | S243-A247 WeakPolarHBondContact O-CB 3.49Å; S243-A247 PolarHBondContact O-N 3.06Å; L244-A247 PolarHBondContact O-N 3.36Å; A247-G249 VanDerWaalsContact C-N 3.34Å; A247-G249 PolarHBondContact O-N 2.99Å; A247-R250 PolarHBondContact O-N 3.16Å; A247-Q251 WeakPolarHBondContact O-CB 3.28Å; A247-Q251 PolarHBondContact O-N 3.34Å |
| 248 | Q | 89.2 | Confident | 87.6 | Confident | 102 Ų | 102 | 101.9 Ų | 101.9 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 173.2 | -72.6 | 176.7 | -5.3 | 0 | 0 | 111.8 | L244 K245 Q251 K252 | L244-Q248 WeakPolarHBondContact O-CB 3.43Å; L244-Q248 WeakPolarHBondContact O-CG 3.49Å; L244-Q248 PolarHBondContact O-N 3Å; K245-Q248 PolarHBondContact O-N 3.36Å; Q248-Q251 PolarHBondContact O-N 3.43Å; Q248-K252 WeakPolarHBondContact O-CG 3.41Å; Q248-K252 PolarHBondContact O-N 3.49Å |
| 249 | G | 87.3 | Confident | 87.4 | Confident | 32 Ų | 32 | 102.1 Ų | 102.1 | 33% | 0.33 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K245 I246 A247 Q251 K252 T253 | K245-G249 PolarHBondContact O-N 2.95Å; I246-G249 PolarHBondContact O-N 3.45Å; A247-G249 VanDerWaalsContact C-N 3.34Å; A247-G249 PolarHBondContact O-N 2.99Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; G249-Q251 PolarHBondContact O-N 3.22Å; G249-K252 PolarHBondContact O-N 2.66Å; G249-T253 WeakPolarHBondContact O-CB 3.47Å; G249-T253 PolarHBondContact O-N 2.66Å; G249-T253 PolarHBondContact O-OG1 3.3Å |
| 250 | R | 88.2 | Confident | 87 | Confident | 170 Ų | 170 | 100 Ų | 100 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 174.2 | -74.4 | 178.8 | 177.5 | -173.7 | 0.4 | 111.5 | I246 A247 T253 R254 | I246-R250 HydrophobicContact CG2-CG 4.47Å; I246-R250 WeakPolarHBondContact O-CG 3.47Å; I246-R250 PolarHBondContact O-N 3.26Å; A247-R250 PolarHBondContact O-N 3.16Å; R250-T253 WeakPolarHBondContact O-CB 3.33Å; R250-T253 PolarHBondContact O-N 2.79Å; R250-R254 WeakPolarHBondContact O-CG 3.43Å; R250-R254 PolarHBondContact O-N 2.93Å |
| 251 | Q | 87.4 | Confident | 86.5 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -49 | 177 | -178.8 | 59.5 | 19.9 | 0 | 0 | 111.8 | A247 Q248 G249 T253 R254 E255 | A247-Q251 WeakPolarHBondContact O-CB 3.28Å; A247-Q251 PolarHBondContact O-N 3.34Å; Q248-Q251 PolarHBondContact O-N 3.43Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; G249-Q251 PolarHBondContact O-N 3.22Å; Q251-T253 PolarHBondContact O-N 3.12Å; Q251-R254 WeakPolarHBondContact O-CA 3.25Å; Q251-R254 WeakPolarHBondContact O-CB 3.48Å; Q251-R254 PolarHBondContact O-N 3.39Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.27Å; Q251-E255 PolarHBondContact NE2-OE1 3.35Å; Q251-E255 WeakPolarHBondContact O-CG 3.4Å; Q251-E255 PolarHBondContact O-N 3.21Å |
| 252 | K | 87.6 | Confident | 86.2 | Confident | 135 Ų | 135 | 97.1 Ų | 97.1 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.8 | -36.9 | 173.4 | -73.2 | -180 | -179.5 | 179.3 | 0 | 112.4 | Q248 G249 E255 K256 | Q248-K252 WeakPolarHBondContact O-CG 3.41Å; Q248-K252 PolarHBondContact O-N 3.49Å; G249-K252 PolarHBondContact O-N 2.66Å; K252-E255 PolarHBondContact O-N 2.87Å; K252-K256 WeakPolarHBondContact O-CB 3.45Å; K252-K256 WeakPolarHBondContact O-CG 3.46Å; K252-K256 PolarHBondContact O-N 3.4Å |
| 253 | T | 85.9 | Confident | 85.7 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | G249 R250 Q251 K256 N257 | G249-T253 WeakPolarHBondContact O-CB 3.47Å; G249-T253 PolarHBondContact O-N 2.66Å; G249-T253 PolarHBondContact O-OG1 3.3Å; R250-T253 WeakPolarHBondContact O-CB 3.33Å; R250-T253 PolarHBondContact O-N 2.79Å; Q251-T253 PolarHBondContact O-N 3.12Å; T253-K256 PolarHBondContact O-N 2.92Å; T253-N257 WeakPolarHBondContact O-CB 3.38Å; T253-N257 PolarHBondContact O-N 2.89Å; T253-N257 PolarHBondContact O-ND2 2.81Å |
| 254 | R | 86 | Confident | 85.2 | Confident | 162 Ų | 162 | 102.6 Ų | 102.6 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -47.8 | 173.8 | -72.3 | 171.7 | 179.9 | 172.4 | -2.8 | 111.3 | R250 Q251 K256 N257 T258 | R250-R254 WeakPolarHBondContact O-CG 3.43Å; R250-R254 PolarHBondContact O-N 2.93Å; Q251-R254 WeakPolarHBondContact O-CA 3.25Å; Q251-R254 WeakPolarHBondContact O-CB 3.48Å; Q251-R254 PolarHBondContact O-N 3.39Å; R254-K256 PolarHBondContact O-N 2.87Å; R254-N257 WeakPolarHBondContact O-CB 3.23Å; R254-N257 PolarHBondContact O-N 3.29Å; R254-N257 VanDerWaalsContact O-N 3.12Å; R254-T258 PolarHBondContact O-N 3.42Å; R254-T258 PolarHBondContact O-OG1 3.15Å |
| 255 | E | 85.2 | Confident | 84.8 | Confident | 100 Ų | 100 | 103.8 Ų | 103.8 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.3 | -71 | 163.8 | -170 | 0 | 0 | 112.6 | Q251 K252 T258 C259 | Q251-E255 WeakPolarHBondContact CG-OE1 3.27Å; Q251-E255 PolarHBondContact NE2-OE1 3.35Å; Q251-E255 WeakPolarHBondContact O-CG 3.4Å; Q251-E255 PolarHBondContact O-N 3.21Å; K252-E255 PolarHBondContact O-N 2.87Å; E255-T258 WeakPolarHBondContact CA-OG1 3.34Å; E255-T258 PolarHBondContact O-N 3.48Å; E255-T258 PolarHBondContact O-OG1 2.84Å; E255-C259 WeakPolarHBondContact O-CB 3.44Å; E255-C259 PolarHBondContact O-N 2.69Å |
| 256 | K | 84.4 | Confident | 84.4 | Confident | 155 Ų | 155 | 103.1 Ų | 103.1 | 67% | 0.674 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.8 | -38.9 | 172.9 | -75.9 | -164.3 | 177.3 | -173 | 0 | 111.9 | K252 T253 R254 C259 V260 | K252-K256 WeakPolarHBondContact O-CB 3.45Å; K252-K256 WeakPolarHBondContact O-CG 3.46Å; K252-K256 PolarHBondContact O-N 3.4Å; T253-K256 PolarHBondContact O-N 2.92Å; R254-K256 PolarHBondContact O-N 2.87Å; K256-C259 PolarHBondContact O-N 3.34Å; K256-V260 WeakPolarHBondContact O-CB 3.25Å; K256-V260 VanDerWaalsContact O-CG2 3.24Å; K256-V260 WeakPolarHBondContact O-CG2 3.34Å; K256-V260 PolarHBondContact O-N 3.02Å |
| 257 | N | 84.4 | Confident | 84.1 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 177.2 | -74.5 | -17.9 | 0 | 0 | 0 | 112.3 | T253 R254 V260 A261 | T253-N257 WeakPolarHBondContact O-CB 3.38Å; T253-N257 PolarHBondContact O-N 2.89Å; T253-N257 PolarHBondContact O-ND2 2.81Å; R254-N257 WeakPolarHBondContact O-CB 3.23Å; R254-N257 PolarHBondContact O-N 3.29Å; R254-N257 VanDerWaalsContact O-N 3.12Å; N257-V260 PolarHBondContact O-N 2.98Å; N257-A261 WeakPolarHBondContact O-CB 3.24Å; N257-A261 PolarHBondContact O-N 2.9Å |
| 258 | T | 81.1 | Confident | 83.8 | Confident | 79 Ų | 79 | 103.9 Ų | 103.9 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 173.1 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | R254 E255 V260 A261 E262 | R254-T258 PolarHBondContact O-N 3.42Å; R254-T258 PolarHBondContact O-OG1 3.15Å; E255-T258 WeakPolarHBondContact CA-OG1 3.34Å; E255-T258 PolarHBondContact O-N 3.48Å; E255-T258 PolarHBondContact O-OG1 2.84Å; T258-V260 VanDerWaalsContact C-N 3.33Å; T258-V260 PolarHBondContact O-N 3.33Å; T258-A261 WeakPolarHBondContact O-CB 3.36Å; T258-A261 PolarHBondContact O-N 2.95Å; T258-A261 VanDerWaalsContact O-N 3.12Å; T258-E262 WeakPolarHBondContact O-CG 3.3Å; T258-E262 PolarHBondContact O-N 2.75Å |
| 259 | C | 85.1 | Confident | 83.4 | Confident | 67 Ų | 67 | 101.5 Ų | 101.5 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | E255 K256 E262 M263 | E255-C259 WeakPolarHBondContact O-CB 3.44Å; E255-C259 PolarHBondContact O-N 2.69Å; K256-C259 PolarHBondContact O-N 3.34Å; C259-E262 PolarHBondContact O-N 2.93Å; C259-M263 WeakPolarHBondContact O-CB 3.47Å; C259-M263 VanDerWaalsContact O-CG 3.29Å; C259-M263 WeakPolarHBondContact O-CG 3.29Å; C259-M263 PolarHBondContact O-N 2.73Å |
| 260 | V | 81.9 | Confident | 82.8 | Confident | 73 Ų | 73 | 105.4 Ų | 105.4 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 175 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | K256 N257 T258 M263 K264 | K256-V260 WeakPolarHBondContact O-CB 3.25Å; K256-V260 VanDerWaalsContact O-CG2 3.24Å; K256-V260 WeakPolarHBondContact O-CG2 3.34Å; K256-V260 PolarHBondContact O-N 3.02Å; N257-V260 PolarHBondContact O-N 2.98Å; T258-V260 VanDerWaalsContact C-N 3.33Å; T258-V260 PolarHBondContact O-N 3.33Å; V260-M263 PolarHBondContact O-N 3.14Å; V260-K264 HydrophobicContact CG1-CD 4.46Å; V260-K264 WeakPolarHBondContact O-CB 3.48Å; V260-K264 WeakPolarHBondContact O-CG 3.36Å; V260-K264 PolarHBondContact O-N 3.07Å |
| 261 | A | 81.1 | Confident | 82.4 | Confident | 57 Ų | 57 | 104 Ų | 104 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N257 T258 K264 H265 | N257-A261 WeakPolarHBondContact O-CB 3.24Å; N257-A261 PolarHBondContact O-N 2.9Å; T258-A261 WeakPolarHBondContact O-CB 3.36Å; T258-A261 PolarHBondContact O-N 2.95Å; T258-A261 VanDerWaalsContact O-N 3.12Å; A261-K264 PolarHBondContact O-N 3.45Å; A261-H265 WeakPolarHBondContact O-CB 3.36Å; A261-H265 PolarHBondContact O-N 2.95Å |
| 262 | E | 82.4 | Confident | 82.1 | Confident | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 173.2 | -72.2 | 172.2 | -165.3 | 0 | 0 | 111.9 | T258 C259 H265 K266 | T258-E262 WeakPolarHBondContact O-CG 3.3Å; T258-E262 PolarHBondContact O-N 2.75Å; C259-E262 PolarHBondContact O-N 2.93Å; E262-H265 PolarHBondContact O-N 3.05Å; E262-K266 WeakPolarHBondContact O-CG 3.23Å; E262-K266 PolarHBondContact O-N 3.32Å |
| 263 | M | 79.1 | Confident | 81.9 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -37.6 | 176.6 | -71.5 | -62 | -73.3 | 0 | 0 | 112.1 | C259 V260 K266 L267 | C259-M263 WeakPolarHBondContact O-CB 3.47Å; C259-M263 VanDerWaalsContact O-CG 3.29Å; C259-M263 WeakPolarHBondContact O-CG 3.29Å; C259-M263 PolarHBondContact O-N 2.73Å; V260-M263 PolarHBondContact O-N 3.14Å; M263-K266 PolarHBondContact O-N 3.24Å; M263-K266 HydrophobicContact SD-CD 4.38Å; M263-L267 WeakPolarHBondContact O-CB 3.41Å; M263-L267 PolarHBondContact O-N 2.85Å |
| 264 | K | 76.8 | Confident | 81.6 | Confident | 136 Ų | 136 | 101.6 Ų | 101.6 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -45.6 | 171.8 | -79.8 | -178.5 | 177 | -178.9 | 0 | 111.5 | V260 A261 K266 L267 D268 | V260-K264 HydrophobicContact CG1-CD 4.46Å; V260-K264 WeakPolarHBondContact O-CB 3.48Å; V260-K264 WeakPolarHBondContact O-CG 3.36Å; V260-K264 PolarHBondContact O-N 3.07Å; A261-K264 PolarHBondContact O-N 3.45Å; K264-K266 PolarHBondContact O-N 2.93Å; K264-L267 WeakPolarHBondContact O-CB 3.47Å; K264-L267 PolarHBondContact O-N 3.35Å; K264-D268 PolarHBondContact O-N 3.44Å |
| 265 | H | 82.6 | Confident | 81.3 | Confident | 126 Ų | 126 | 100.8 Ų | 100.8 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.6 | -46.3 | 176.4 | -177.2 | -77.4 | 0 | 0 | 0 | 111.4 | A261 E262 L267 D268 T269 | A261-H265 WeakPolarHBondContact O-CB 3.36Å; A261-H265 PolarHBondContact O-N 2.95Å; E262-H265 PolarHBondContact O-N 3.05Å; H265-L267 VanDerWaalsContact C-N 3.34Å; H265-L267 PolarHBondContact O-N 2.81Å; H265-D268 PolarHBondContact O-N 3.45Å; H265-T269 PolarHBondContact O-N 3.02Å; H265-T269 PolarHBondContact O-OG1 2.94Å |
| 266 | K | 80.1 | Confident | 80.9 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 174.9 | -74.9 | 175.4 | -179.1 | 173.4 | 0 | 112.1 | E262 M263 K264 D268 T269 E270 | E262-K266 WeakPolarHBondContact O-CG 3.23Å; E262-K266 PolarHBondContact O-N 3.32Å; M263-K266 PolarHBondContact O-N 3.24Å; M263-K266 HydrophobicContact SD-CD 4.38Å; K264-K266 PolarHBondContact O-N 2.93Å; K266-D268 VanDerWaalsContact C-N 3.35Å; K266-D268 PolarHBondContact O-N 3.23Å; K266-T269 VanDerWaalsContact CA-OG1 3.29Å; K266-T269 WeakPolarHBondContact CA-OG1 3.31Å; K266-T269 PolarHBondContact O-N 2.84Å; K266-T269 PolarHBondContact O-OG1 3.08Å; K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 3.36Å |
| 267 | L | 82.1 | Confident | 80.5 | Confident | 90 Ų | 90 | 98.5 Ų | 98.5 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.4 | -173.2 | 76.9 | 0 | 0 | 0 | 111.8 | M263 K264 H265 E270 R271 | M263-L267 WeakPolarHBondContact O-CB 3.41Å; M263-L267 PolarHBondContact O-N 2.85Å; K264-L267 WeakPolarHBondContact O-CB 3.47Å; K264-L267 PolarHBondContact O-N 3.35Å; H265-L267 VanDerWaalsContact C-N 3.34Å; H265-L267 PolarHBondContact O-N 2.81Å; L267-E270 PolarHBondContact O-N 3.21Å; L267-R271 WeakPolarHBondContact O-CB 3.29Å; L267-R271 WeakPolarHBondContact O-CG 3.49Å; L267-R271 PolarHBondContact O-N 3.09Å |
| 268 | D | 82.1 | Confident | 80 | Confident | 82 Ų | 82 | 100.2 Ų | 100.2 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.2 | -35.9 | 179.5 | -72.6 | -25.5 | 0 | 0 | 0 | 112 | K264 H265 K266 R271 N272 | K264-D268 PolarHBondContact O-N 3.44Å; H265-D268 PolarHBondContact O-N 3.45Å; K266-D268 VanDerWaalsContact C-N 3.35Å; K266-D268 PolarHBondContact O-N 3.23Å; D268-R271 PolarHBondContact O-N 3.49Å; D268-R271 IonicContact OD1-NH1 3.57Å; D268-N272 PolarHBondContact O-N 2.98Å; D268-N272 PolarHBondContact O-ND2 3.49Å |
| 269 | T | 79.9 | Confident | 79.9 | Confident | 52 Ų | 52 | 104 Ų | 104 | 32% | 0.319 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 169.9 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | H265 K266 R271 N272 N273 | H265-T269 PolarHBondContact O-N 3.02Å; H265-T269 PolarHBondContact O-OG1 2.94Å; K266-T269 VanDerWaalsContact CA-OG1 3.29Å; K266-T269 WeakPolarHBondContact CA-OG1 3.31Å; K266-T269 PolarHBondContact O-N 2.84Å; K266-T269 PolarHBondContact O-OG1 3.08Å; T269-R271 PolarHBondContact O-N 2.72Å; T269-N272 PolarHBondContact O-N 3.36Å; T269-N273 VanDerWaalsContact O-CG 3.32Å; T269-N273 PolarHBondContact O-N 2.83Å |
| 270 | E | 76.3 | Confident | 79.5 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 176.7 | -71.4 | -52.7 | 139.9 | 0 | 0 | 112.6 | K266 L267 N272 N273 N274 | K266-E270 WeakPolarHBondContact O-CG 3.4Å; K266-E270 PolarHBondContact O-N 3.36Å; L267-E270 PolarHBondContact O-N 3.21Å; E270-N272 VanDerWaalsContact C-N 3.34Å; E270-N273 PolarHBondContact O-N 3.14Å; E270-N274 PolarHBondContact O-N 3.37Å |
| 271 | R | 80.1 | Confident | 79 | Confident | 141 Ų | 141 | 106 Ų | 106 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 172.6 | -80.8 | 175.2 | 170.6 | 164.3 | -3.2 | 112.2 | L267 D268 T269 N274 R275 | L267-R271 WeakPolarHBondContact O-CB 3.29Å; L267-R271 WeakPolarHBondContact O-CG 3.49Å; L267-R271 PolarHBondContact O-N 3.09Å; D268-R271 PolarHBondContact O-N 3.49Å; D268-R271 IonicContact OD1-NH1 3.57Å; T269-R271 PolarHBondContact O-N 2.72Å; R271-N274 PolarHBondContact O-N 3.39Å; R271-R275 WeakPolarHBondContact O-CG 3.44Å; R271-R275 PolarHBondContact O-N 3.15Å |
| 272 | N | 80.8 | Confident | 78.6 | Confident | 80 Ų | 80 | 106 Ų | 106 | 43% | 0.428 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 176.5 | -74.2 | -23 | 0 | 0 | 0 | 111.7 | D268 T269 E270 N274 R275 E276 | D268-N272 PolarHBondContact O-N 2.98Å; D268-N272 PolarHBondContact O-ND2 3.49Å; T269-N272 PolarHBondContact O-N 3.36Å; E270-N272 VanDerWaalsContact C-N 3.34Å; N272-N274 VanDerWaalsContact C-N 3.3Å; N272-N274 PolarHBondContact O-N 2.86Å; N272-R275 WeakPolarHBondContact O-CB 3.48Å; N272-R275 PolarHBondContact O-N 3.42Å; N272-R275 VanDerWaalsContact O-N 3.12Å; N272-R275 PolarHBondContact OD1-NH1 3.06Å; N272-E276 PolarHBondContact O-N 2.96Å |
| 273 | N | 83.4 | Confident | 78.3 | Confident | 73 Ų | 73 | 104.6 Ų | 104.6 | 39% | 0.39 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 172.1 | -70.2 | -12.6 | 0 | 0 | 0 | 111.4 | T269 E270 R275 E276 L277 | T269-N273 VanDerWaalsContact O-CG 3.32Å; T269-N273 PolarHBondContact O-N 2.83Å; E270-N273 PolarHBondContact O-N 3.14Å; N273-R275 PolarHBondContact O-N 3.24Å; N273-E276 PolarHBondContact O-N 3.03Å; N273-L277 WeakPolarHBondContact O-CG 3.46Å; N273-L277 PolarHBondContact O-N 3.43Å |
| 274 | N | 77.9 | Confident | 78.2 | Confident | 99 Ų | 99 | 101.7 Ų | 101.7 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.2 | -107.6 | -39 | 0 | 0 | 0 | 113 | E270 R271 N272 E276 L277 Q278 | E270-N274 PolarHBondContact O-N 3.37Å; R271-N274 PolarHBondContact O-N 3.39Å; N272-N274 VanDerWaalsContact C-N 3.3Å; N272-N274 PolarHBondContact O-N 2.86Å; N274-E276 VanDerWaalsContact C-N 3.34Å; N274-L277 PolarHBondContact O-N 2.9Å; N274-Q278 WeakPolarHBondContact O-CG 3.35Å; N274-Q278 PolarHBondContact O-N 3.34Å |
| 275 | R | 81.2 | Confident | 78.1 | Confident | 144 Ų | 144 | 104 Ų | 104 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 173.9 | -76 | 174.7 | 179.3 | 163.8 | -3.4 | 111.9 | R271 N272 N273 Q278 R279 | R271-R275 WeakPolarHBondContact O-CG 3.44Å; R271-R275 PolarHBondContact O-N 3.15Å; N272-R275 WeakPolarHBondContact O-CB 3.48Å; N272-R275 PolarHBondContact O-N 3.42Å; N272-R275 VanDerWaalsContact O-N 3.12Å; N272-R275 PolarHBondContact OD1-NH1 3.06Å; N273-R275 PolarHBondContact O-N 3.24Å; R275-Q278 PolarHBondContact O-N 3.21Å; R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-N 2.95Å; R275-R279 VanDerWaalsContact O-N 3.11Å |
| 276 | E | 77.1 | Confident | 77.6 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 175.8 | -74.3 | -174.8 | 172.4 | 0 | 0 | 112.5 | N272 N273 N274 Q278 R279 N280 | N272-E276 PolarHBondContact O-N 2.96Å; N273-E276 PolarHBondContact O-N 3.03Å; N274-E276 VanDerWaalsContact C-N 3.34Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 2.84Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 3.27Å; E276-R279 VanDerWaalsContact O-N 3.09Å; E276-N280 PolarHBondContact O-N 2.89Å |
| 277 | L | 75.9 | Confident | 77.3 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 172.7 | -74.2 | 168.7 | 0 | 0 | 0 | 111.7 | N273 N274 R279 N280 I281 | N273-L277 WeakPolarHBondContact O-CG 3.46Å; N273-L277 PolarHBondContact O-N 3.43Å; N274-L277 PolarHBondContact O-N 2.9Å; L277-R279 PolarHBondContact O-N 2.98Å; L277-N280 PolarHBondContact O-N 2.93Å; L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.48Å; L277-I281 PolarHBondContact O-N 3.1Å |
| 278 | Q | 73.1 | Confident | 77.1 | Confident | 136 Ų | 136 | 106.5 Ų | 106.5 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -38.4 | 173.9 | -76.9 | -175.7 | -6.2 | 0 | 0 | 112.9 | N274 R275 E276 I281 A282 | N274-Q278 WeakPolarHBondContact O-CG 3.35Å; N274-Q278 PolarHBondContact O-N 3.34Å; R275-Q278 PolarHBondContact O-N 3.21Å; E276-Q278 VanDerWaalsContact C-N 3.29Å; E276-Q278 PolarHBondContact O-N 2.84Å; Q278-I281 PolarHBondContact O-N 2.99Å; Q278-A282 PolarHBondContact O-N 3.05Å; Q278-A282 VanDerWaalsContact O-N 3.13Å |
| 279 | R | 78.3 | Confident | 76.7 | Confident | 157 Ų | 157 | 105.4 Ų | 105.4 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 173.3 | -71.3 | -178.5 | -171.8 | 113.9 | -2.7 | 111.8 | R275 E276 L277 I281 A282 T283 | R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-N 2.95Å; R275-R279 VanDerWaalsContact O-N 3.11Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 3.27Å; E276-R279 VanDerWaalsContact O-N 3.09Å; L277-R279 PolarHBondContact O-N 2.98Å; R279-I281 VanDerWaalsContact C-N 3.34Å; R279-I281 PolarHBondContact O-N 2.99Å; R279-A282 WeakPolarHBondContact O-CB 3.37Å; R279-A282 PolarHBondContact O-N 3.26Å; R279-A282 VanDerWaalsContact O-N 3.15Å; R279-T283 PolarHBondContact O-N 3.4Å; R279-T283 PolarHBondContact O-OG1 2.95Å |
| 280 | N | 76.9 | Confident | 76.4 | Confident | 99 Ų | 99 | 106.9 Ų | 106.9 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -34.9 | 178.5 | -69 | -17.2 | 0 | 0 | 0 | 112.6 | E276 L277 A282 T283 A284 | E276-N280 PolarHBondContact O-N 2.89Å; L277-N280 PolarHBondContact O-N 2.93Å; N280-A282 VanDerWaalsContact C-N 3.34Å; N280-T283 WeakPolarHBondContact CA-OG1 3.43Å; N280-T283 PolarHBondContact O-OG1 2.89Å; N280-A284 WeakPolarHBondContact O-CB 3.32Å; N280-A284 PolarHBondContact O-N 3.29Å; N280-A284 VanDerWaalsContact O-N 3.11Å |
| 281 | I | 71 | Confident | 76.2 | Confident | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 172.7 | -68.5 | 165.9 | 0 | 0 | 0 | 111 | L277 Q278 R279 R285 | L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.48Å; L277-I281 PolarHBondContact O-N 3.1Å; Q278-I281 PolarHBondContact O-N 2.99Å; R279-I281 VanDerWaalsContact C-N 3.34Å; R279-I281 PolarHBondContact O-N 2.99Å; I281-R285 WeakPolarHBondContact O-CG 3.33Å; I281-R285 PolarHBondContact O-N 2.93Å; I281-R285 VanDerWaalsContact O-N 3.08Å |
| 282 | A | 73.2 | Confident | 75.9 | Confident | 57 Ų | 57 | 108.7 Ų | 108.7 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q278 R279 N280 R285 M286 | Q278-A282 PolarHBondContact O-N 3.05Å; Q278-A282 VanDerWaalsContact O-N 3.13Å; R279-A282 WeakPolarHBondContact O-CB 3.37Å; R279-A282 PolarHBondContact O-N 3.26Å; R279-A282 VanDerWaalsContact O-N 3.15Å; N280-A282 VanDerWaalsContact C-N 3.34Å; A282-R285 PolarHBondContact O-N 3.45Å; A282-M286 PolarHBondContact O-N 3.24Å; A282-M286 VanDerWaalsContact O-N 3.17Å |
| 283 | T | 76.9 | Confident | 75.5 | Confident | 80 Ų | 80 | 112 Ų | 112 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | R279 N280 R285 M286 Q287 | R279-T283 PolarHBondContact O-N 3.4Å; R279-T283 PolarHBondContact O-OG1 2.95Å; N280-T283 WeakPolarHBondContact CA-OG1 3.43Å; N280-T283 PolarHBondContact O-OG1 2.89Å; T283-R285 VanDerWaalsContact C-N 3.33Å; T283-R285 PolarHBondContact O-N 3.38Å; T283-M286 WeakPolarHBondContact O-CB 3.49Å; T283-M286 PolarHBondContact O-N 2.93Å; T283-Q287 PolarHBondContact O-N 3.25Å; T283-Q287 VanDerWaalsContact O-N 3.1Å |
| 284 | A | 75.7 | Confident | 74.9 | Confident | 55 Ų | 55 | 113.5 Ų | 113.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N280 Q287 K288 | N280-A284 WeakPolarHBondContact O-CB 3.32Å; N280-A284 PolarHBondContact O-N 3.29Å; N280-A284 VanDerWaalsContact O-N 3.11Å; A284-Q287 PolarHBondContact O-N 2.97Å; A284-K288 PolarHBondContact O-N 3.25Å |
| 285 | R | 75.1 | Confident | 74.5 | Confident | 184 Ų | 184 | 114.1 Ų | 114.1 | 69% | 0.694 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.3 | -37 | 174.2 | -77.8 | 176.5 | 179.6 | 145.8 | 1 | 112.5 | I281 A282 T283 K288 A289 | I281-R285 WeakPolarHBondContact O-CG 3.33Å; I281-R285 PolarHBondContact O-N 2.93Å; I281-R285 VanDerWaalsContact O-N 3.08Å; A282-R285 PolarHBondContact O-N 3.45Å; T283-R285 VanDerWaalsContact C-N 3.33Å; T283-R285 PolarHBondContact O-N 3.38Å; R285-K288 PolarHBondContact O-N 3.07Å; R285-A289 PolarHBondContact O-N 3.48Å |
| 286 | M | 72.8 | Confident | 74 | Confident | 136 Ų | 136 | 114 Ų | 114 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67 | -43.2 | 176.8 | -170.8 | 174.1 | 169.4 | 0 | 0 | 111.8 | A282 T283 K288 A289 I290 | A282-M286 PolarHBondContact O-N 3.24Å; A282-M286 VanDerWaalsContact O-N 3.17Å; T283-M286 WeakPolarHBondContact O-CB 3.49Å; T283-M286 PolarHBondContact O-N 2.93Å; M286-K288 VanDerWaalsContact C-N 3.32Å; M286-K288 PolarHBondContact O-N 3.42Å; M286-A289 WeakPolarHBondContact O-CB 3.23Å; M286-A289 PolarHBondContact O-N 3Å; M286-A289 VanDerWaalsContact O-N 3.13Å; M286-I290 PolarHBondContact O-N 3.26Å |
| 287 | Q | 73.6 | Confident | 73.7 | Confident | 132 Ų | 132 | 116 Ų | 116 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.8 | -37.6 | 175.8 | -73.3 | -178.5 | -18.2 | 0 | 0 | 112.9 | T283 A284 A289 I290 L291 | T283-Q287 PolarHBondContact O-N 3.25Å; T283-Q287 VanDerWaalsContact O-N 3.1Å; A284-Q287 PolarHBondContact O-N 2.97Å; Q287-A289 VanDerWaalsContact C-N 3.27Å; Q287-A289 PolarHBondContact O-N 3.36Å; Q287-I290 PolarHBondContact O-N 3.46Å; Q287-L291 PolarHBondContact O-N 2.92Å |
| 288 | K | 77 | Confident | 73 | Confident | 123 Ų | 123 | 117.6 Ų | 117.6 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.9 | -31 | 175 | -174.5 | 176.6 | -179.8 | 174.4 | 0 | 113.2 | A284 R285 M286 R292 | A284-K288 PolarHBondContact O-N 3.25Å; R285-K288 PolarHBondContact O-N 3.07Å; M286-K288 VanDerWaalsContact C-N 3.32Å; M286-K288 PolarHBondContact O-N 3.42Å; K288-R292 PolarHBondContact O-N 3.07Å |
| 289 | A | 73.9 | Confident | 72.6 | Confident | 60 Ų | 60 | 117.2 Ų | 117.2 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.8 | -38.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R285 M286 Q287 R292 Q293 | R285-A289 PolarHBondContact O-N 3.48Å; M286-A289 WeakPolarHBondContact O-CB 3.23Å; M286-A289 PolarHBondContact O-N 3Å; M286-A289 VanDerWaalsContact O-N 3.13Å; Q287-A289 VanDerWaalsContact C-N 3.27Å; Q287-A289 PolarHBondContact O-N 3.36Å; A289-R292 PolarHBondContact O-N 3.22Å; A289-Q293 PolarHBondContact O-N 2.96Å |
| 290 | I | 74.2 | Confident | 72 | Confident | 83 Ų | 83 | 115.5 Ų | 115.5 | 43% | 0.426 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.8 | -48 | 178.5 | -63.4 | 169.5 | 0 | 0 | 0 | 110.7 | M286 Q287 R292 Q293 E294 | M286-I290 PolarHBondContact O-N 3.26Å; Q287-I290 PolarHBondContact O-N 3.46Å; I290-R292 PolarHBondContact O-N 3.42Å; I290-Q293 WeakPolarHBondContact O-CB 3.39Å; I290-Q293 PolarHBondContact O-N 3.32Å; I290-E294 PolarHBondContact O-N 2.95Å |
| 291 | L | 72.4 | Confident | 71.3 | Confident | 116 Ų | 116 | 115 Ų | 115 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.6 | -27.4 | 178.6 | -70.6 | 167.5 | 0 | 0 | 0 | 113.2 | Q287 L295 | Q287-L291 PolarHBondContact O-N 2.92Å; L291-L295 PolarHBondContact O-N 3.33Å |
| 292 | R | 73.8 | Confident | 70.7 | Confident | 175 Ų | 175 | 117.1 Ų | 117.1 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.2 | -28.6 | 173.8 | -82.6 | 179.6 | 170.5 | 171.7 | -6.1 | 113.3 | K288 A289 I290 | K288-R292 PolarHBondContact O-N 3.07Å; A289-R292 PolarHBondContact O-N 3.22Å; I290-R292 PolarHBondContact O-N 3.42Å |
| 293 | Q | 72.6 | Confident | 70 | Confident | 151 Ų | 151 | 117.9 Ų | 117.9 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -79 | -33.8 | 179.5 | -164.9 | 170.9 | 11.6 | 0 | 0 | 111.7 | A289 I290 K296 K297 | A289-Q293 PolarHBondContact O-N 2.96Å; I290-Q293 WeakPolarHBondContact O-CB 3.39Å; I290-Q293 PolarHBondContact O-N 3.32Å; Q293-K296 PolarHBondContact O-N 3.44Å; Q293-K297 PolarHBondContact O-N 2.88Å |
| 294 | E | 70.8 | Confident | 69.1 | Low | 103 Ų | 103 | 122.1 Ų | 122.1 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.4 | -38.4 | 175.6 | -68.7 | 179.7 | 162.7 | 0 | 0 | 112.5 | I290 K296 K297 H298 | I290-E294 PolarHBondContact O-N 2.95Å; E294-K296 VanDerWaalsContact C-N 3.29Å; E294-K296 PolarHBondContact O-N 3.21Å; E294-K297 PolarHBondContact O-N 3.48Å; E294-H298 PolarHBondContact O-CD2 3.01Å; E294-H298 VanDerWaalsContact O-CD2 3.24Å; E294-H298 PolarHBondContact O-N 2.93Å |
| 295 | L | 68.4 | Low | 68.2 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.4 | -37.5 | 176.8 | -160.6 | 92.8 | 0 | 0 | 0 | 112.5 | L291 H298 Q299 | L291-L295 PolarHBondContact O-N 3.33Å; L295-H298 PolarHBondContact O-N 3.32Å; L295-Q299 WeakPolarHBondContact O-CG 3.37Å; L295-Q299 PolarHBondContact O-N 3.37Å |
| 296 | K | 71.1 | Confident | 67.3 | Low | 141 Ų | 141 | 124.4 Ų | 124.4 | 61% | 0.613 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.9 | -34.3 | 179.1 | -162.8 | 177 | -178.7 | -175.8 | 0 | 112.1 | Q293 E294 Q299 | Q293-K296 PolarHBondContact O-N 3.44Å; E294-K296 VanDerWaalsContact C-N 3.29Å; E294-K296 PolarHBondContact O-N 3.21Å; K296-Q299 PolarHBondContact O-N 2.97Å |
| 297 | K | 70.5 | Confident | 66.7 | Low | 152 Ų | 152 | 123.5 Ų | 123.5 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.7 | -33.5 | 178.3 | -131.6 | 177.9 | -176.3 | -178.4 | 0 | 112.7 | Q293 E294 | Q293-K297 PolarHBondContact O-N 2.88Å; E294-K297 PolarHBondContact O-N 3.48Å |
| 298 | H | 62.7 | Low | 65.8 | Low | 132 Ų | 132 | 124.9 Ų | 124.9 | 61% | 0.611 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.1 | -26.1 | 176.8 | -75.4 | -62 | 0 | 0 | 0 | 113.5 | E294 L295 | E294-H298 PolarHBondContact O-CD2 3.01Å; E294-H298 VanDerWaalsContact O-CD2 3.24Å; E294-H298 PolarHBondContact O-N 2.93Å; L295-H298 PolarHBondContact O-N 3.32Å |
| 299 | Q | 64.7 | Low | 64.5 | Low | 127 Ų | 127 | 125.6 Ų | 125.6 | 59% | 0.593 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74 | -32.6 | 178.5 | -73.2 | 174.2 | -22.8 | 0 | 0 | 113.3 | L295 K296 | L295-Q299 WeakPolarHBondContact O-CG 3.37Å; L295-Q299 PolarHBondContact O-N 3.37Å; K296-Q299 PolarHBondContact O-N 2.97Å |
| 300 | E | 64.6 | Low | 63.2 | Low | 122 Ų | 122 | 129 Ų | 129 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.4 | -22.4 | 179 | -71.4 | 170.9 | 176.6 | 0 | 0 | 113.4 | ||
| 301 | N | 61.7 | Low | 61.7 | Low | 88 Ų | 88 | 128.8 Ų | 128.8 | 47% | 0.471 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -83.3 | -25.2 | 179.1 | -76.4 | -19.3 | 0 | 0 | 0 | 113.6 | R304 | N301-R304 PolarHBondContact OD1-NH2 3.42Å |
| 302 | L | 59.4 | Low | 59.8 | Low | 129 Ų | 129 | 133.3 Ų | 133.3 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.1 | -26.3 | 177.2 | -92.1 | 158.9 | 0 | 0 | 0 | 113.6 | ||
| 303 | A | 58.2 | Low | 58.5 | Low | 73 Ų | 73 | 133.7 Ų | 133.7 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -21.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 304 | R | 57.7 | Low | 56.6 | Low | 169 Ų | 169 | 132.3 Ų | 132.3 | 64% | 0.638 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -30.9 | -178.4 | -83 | -176.6 | -69.8 | -154.9 | -1.3 | 114.3 | N301 | N301-R304 PolarHBondContact OD1-NH2 3.42Š|
| 305 | M | 56.5 | Low | 54.9 | Low | 152 Ų | 152 | 133.6 Ų | 133.6 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -4.2 | -176.8 | -65.1 | -153.7 | 171 | 0 | 0 | 114.1 | ||
| 306 | Q | 57.3 | Low | 53.5 | Low | 135 Ų | 135 | 135.5 Ų | 135.5 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -14.4 | 177.2 | -161.4 | 72.5 | 28 | 0 | 0 | 113.4 | ||
| 307 | V | 59.9 | Low | 51.7 | Low | 117 Ų | 117 | 134.8 Ų | 134.8 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -94.5 | -18.8 | -177.2 | 176.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 308 | E | 55 | Low | 49.6 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 76% | 0.757 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -92.6 | -6.1 | -179.9 | -68.4 | -178 | 169 | 0 | 0 | 113.7 | ||
| 309 | L | 49.3 | Very low | 48.1 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 72% | 0.723 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -85.2 | -11.3 | -177.4 | -148.8 | 94.5 | 0 | 0 | 0 | 114.3 | ||
| 310 | D | 46.7 | Very low | 46.6 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -103 | -1.2 | -172 | -83.2 | -26.1 | 0 | 0 | 0 | 115.4 | ||
| 311 | S | 43.1 | Very low | 45.3 | Very low | 79 Ų | 79 | 138 Ų | 138 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -103 | -4.6 | -175.5 | 77.9 | 0 | 0 | 0 | 0 | 117.7 | ||
| 312 | Y | 32.7 | Very low | 44.1 | Very low | 211 Ų | 211 | 141.1 Ų | 141.1 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | trans | -139.6 | 50.6 | 176.4 | -72.5 | -70 | 0 | 0 | 0 | 114.8 | T314 | Y312-T314 VanDerWaalsContact C-N 3.29Å; Y312-T314 PolarHBondContact O-N 2.99Å | ||
| 313 | K | 45.7 | Very low | 42.6 | Very low | 184 Ų | 184 | 142 Ų | 142 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | -84.4 | 18.8 | 170.2 | -141.8 | 174.2 | -171.7 | 171.6 | 0 | 114.3 | ||||
| 314 | T | 32.6 | Very low | 42.1 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | -144.4 | 73.9 | 179.5 | 35.6 | 0 | 0 | 0 | 0 | 113.9 | Y312 | Y312-T314 VanDerWaalsContact C-N 3.29Å; Y312-T314 PolarHBondContact O-N 2.99Å | ||
| 315 | T | 35.7 | Very low | 41.1 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | trans | -166 | 70.6 | 142.2 | 46.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 316 | L | 39.1 | Very low | 40.2 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | 35 | 70.9 | 80.7 | -156.2 | 100.7 | 0 | 0 | 0 | 114 | |||||
| 317 | N | 32.1 | Very low | 39.6 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | 159.1 | 151.9 | 113 | -84.7 | -37.1 | 0 | 0 | 0 | 113.3 | |||||
| 318 | Q | 27.8 | Very low | 39.1 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | 82.5 | 84.9 | 163.2 | -75.5 | 146.6 | -22 | 0 | 0 | 118.9 | ||||
| 319 | N | 29.5 | Very low | 37.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 143.6 | 122.7 | 111.6 | -76.3 | -27.9 | 0 | 0 | 0 | 110 | |||||
| 320 | R | 34.1 | Very low | 37.1 | Very low | 234 Ų | 234 | 144.8 Ų | 144.8 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 81.7 | 112.3 | 53.1 | -179.5 | -174.9 | 160.9 | -178.8 | -4.5 | 111.8 | |||||
| 321 | G | 36.7 | Very low | 36.6 | Very low | 61 Ų | 61 | 143.1 Ų | 143.1 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | 74.1 | 137.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 322 | D | 37.2 | Very low | 36.3 | Very low | 154 Ų | 154 | 151 Ų | 151 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | cis | -175.4 | 159.2 | 20.7 | -109 | -30.8 | 0 | 0 | 0 | 110.7 | ||||
| 323 | M | 27.8 | Very low | 36.4 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 78.2 | 101.2 | 147.9 | -69.6 | -73.7 | -72.8 | 0 | 0 | 119.3 | ||||
| 324 | K | 46.8 | Very low | 35.9 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | 47.4 | 109.9 | 73.7 | -67 | -176.2 | 176.3 | 176.1 | 0 | 114.7 | |||||
| 325 | S | 37.3 | Very low | 36 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | 165.3 | 150.2 | 112.4 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 326 | V | 38.8 | Very low | 36.1 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | 80.2 | 107.2 | 162.8 | -165.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 327 | T | 43.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | cis | 97.7 | 117.8 | 27 | -47.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 328 | S | 49.8 | Very low | 36.8 | Very low | 108 Ų | 108 | 154.3 Ų | 154.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 88.9 | 144.9 | 140.1 | 43.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 329 | Q | 29.2 | Very low | 37.3 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 100.9 | 81 | 165.5 | -70.7 | -170.4 | -1.6 | 0 | 0 | 118.8 | ||||
| 330 | I | 33.8 | Very low | 38.5 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -152.1 | 105.5 | 141.4 | -61.9 | -171.1 | 0 | 0 | 0 | 108.7 | ||||
| 331 | A | 36.3 | Very low | 38.7 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -163.1 | 45.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 332 | R | 36.1 | Very low | 38.9 | Very low | 244 Ų | 244 | 154.5 Ų | 154.5 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -150.4 | 15.2 | -177.9 | -120 | -168.3 | -66.1 | -172.7 | 2.9 | 125.5 | ||||
| 333 | M | 35 | Very low | 38.9 | Very low | 187 Ų | 187 | 156.8 Ų | 156.8 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -145.1 | 107 | 169.7 | -69.5 | -179.3 | 83.1 | 0 | 0 | 113.1 | ||||
| 334 | K | 35.1 | Very low | 39.3 | Very low | 198 Ų | 198 | 158.2 Ų | 158.2 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -177.2 | 97.1 | 155.2 | -107.5 | 178.4 | -178.4 | -171.1 | 0 | 112.9 | ||||
| 335 | M | 34.6 | Very low | 39.1 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | 178 | 86.8 | 157 | -110.6 | 179 | 159.2 | 0 | 0 | 106.4 | ||||
| 336 | D | 38.6 | Very low | 39.2 | Very low | 132 Ų | 132 | 160.2 Ų | 160.2 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | 68.2 | 106.4 | 78.1 | -64.7 | -22.7 | 0 | 0 | 0 | 113 | |||||
| 337 | M | 45.3 | Very low | 39.4 | Very low | 159 Ų | 159 | 159.4 Ų | 159.4 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | 79.4 | 108.7 | 103.5 | -80.3 | -176.9 | 54.7 | 0 | 0 | 115 | |||||
| 338 | D | 39 | Very low | 39.4 | Very low | 137 Ų | 137 | 161.6 Ų | 161.6 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | 165.8 | 131.7 | 129.6 | -92.4 | -14.5 | 0 | 0 | 0 | 117.2 | |||||
| 339 | I | 39.8 | Very low | 39.4 | Very low | 144 Ų | 144 | 160.9 Ų | 160.9 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | trans | 71.3 | 118 | 137.1 | -54.9 | 162.5 | 0 | 0 | 0 | 118.8 | ||||
| 340 | N | 53.8 | Low | 40.2 | Very low | 152 Ų | 152 | 161.6 Ų | 161.6 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | cis | 86.6 | 111 | 30.8 | -130.9 | 19.1 | 0 | 0 | 0 | 116.9 | ||||
| 341 | N | 38.6 | Very low | 41 | Very low | 145 Ų | 145 | 159.2 Ų | 159.2 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 95.8 | 141.1 | 145.6 | -132.1 | 17 | 0 | 0 | 0 | 123.4 | ||||
| 342 | E | 40.2 | Very low | 42.4 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 95.6 | 105.4 | 157.7 | -74.2 | 176.5 | 164.3 | 0 | 0 | 122.9 | ||||
| 343 | K | 37.4 | Very low | 43.1 | Very low | 203 Ų | 203 | 150.4 Ų | 150.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | -173.9 | 99.3 | 125.3 | -98.5 | 173.7 | -173.9 | -167.2 | 0 | 112.9 | |||||
| 344 | L | 36.8 | Very low | 44 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -125.8 | 8.7 | 173.1 | -166.8 | 72.3 | 0 | 0 | 0 | 112.6 | ||||
| 345 | L | 42.3 | Very low | 44.6 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -103.1 | 14.7 | -160 | -97.2 | 163.8 | 0 | 0 | 0 | 117.7 | ||||
| 346 | E | 40 | Very low | 45.7 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -103.6 | 1.1 | -174.6 | -84.1 | 177.2 | 171.5 | 0 | 0 | 116.3 | ||
| 347 | S | 42.3 | Very low | 46.4 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -91.3 | -6 | -173.2 | -169.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 348 | E | 44.1 | Very low | 46.6 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -91 | -12 | -167.9 | -70.6 | -177.8 | 156.6 | 0 | 0 | 115.5 | ||
| 349 | A | 48.5 | Very low | 47.3 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -87.8 | -14.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 350 | Y | 46.8 | Very low | 48 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -90.3 | -18.1 | -173.6 | -170.9 | -105 | 0 | 0 | 0 | 114.5 | ||
| 351 | N | 51.3 | Low | 47.7 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -84.8 | -18.7 | -175.7 | -81.2 | -28.3 | 0 | 0 | 0 | 115.1 | A353 | N351-A353 PolarHBondContact O-N 3.47Š|
| 352 | A | 64.4 | Low | 48.1 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -74.6 | -22.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 353 | A | 51.8 | Low | 48.5 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -82.1 | -12.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N351 | N351-A353 PolarHBondContact O-N 3.47Å |
| 354 | L | 52.4 | Low | 49.2 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -93.7 | -21.1 | -179.3 | -125.5 | 87.1 | 0 | 0 | 0 | 113.9 | ||
| 355 | Q | 49.5 | Very low | 49.5 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -75.5 | -27.1 | -179.6 | -84.3 | 179.2 | -24.6 | 0 | 0 | 113.6 | K357 L358 | Q355-K357 VanDerWaalsContact C-N 3.33Å; Q355-K357 PolarHBondContact O-N 3.4Å; Q355-L358 PolarHBondContact O-N 3.18Å |
| 356 | E | 56.3 | Low | 50 | Low | 106 Ų | 106 | 126.5 Ų | 126.5 | 50% | 0.495 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.5 | -22.8 | -178.7 | -167.1 | 59.9 | -164.8 | 0 | 0 | 113.1 | L358 R359 | E356-L358 VanDerWaalsContact C-N 3.31Å; E356-L358 PolarHBondContact O-N 2.93Å; E356-R359 IonicContact OE1-CZ 3.36Å; E356-R359 IonicContact OE1-NE 3.67Å; E356-R359 PolarHBondContact OE1-NE 2.96Å; E356-R359 VanDerWaalsContact OE1-NE 3.11Å; E356-R359 IonicContact OE1-NH2 2.74Å; E356-R359 PolarHBondContact OE1-NH2 3.31Å; E356-R359 IonicContact OE2-NE 3.87Å |
| 357 | K | 53 | Low | 51 | Low | 172 Ų | 172 | 120.6 Ų | 120.6 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.7 | -12 | 174.9 | -83.9 | -176.6 | 176.2 | 178.3 | 0 | 114.3 | Q355 | Q355-K357 VanDerWaalsContact C-N 3.33Å; Q355-K357 PolarHBondContact O-N 3.4Å |
| 358 | L | 49.3 | Very low | 51.6 | Low | 139 Ų | 139 | 122.9 Ų | 122.9 | 73% | 0.728 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -86.5 | -22.6 | 177.7 | -156.6 | 77.3 | 0 | 0 | 0 | 112.3 | Q355 E356 T362 | Q355-L358 PolarHBondContact O-N 3.18Å; E356-L358 VanDerWaalsContact C-N 3.31Å; E356-L358 PolarHBondContact O-N 2.93Å; L358-T362 PolarHBondContact O-OG1 3.45Å; L358-T362 VanDerWaalsContact O-OG1 3.07Å |
| 359 | R | 55.1 | Low | 52.2 | Low | 126 Ų | 126 | 123.1 Ų | 123.1 | 48% | 0.475 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -76.1 | -34.4 | -178.3 | -167 | 172.7 | 70.6 | 92.9 | -2.7 | 113.2 | E356 V361 T362 E363 | E356-R359 IonicContact OE1-CZ 3.36Å; E356-R359 IonicContact OE1-NE 3.67Å; E356-R359 PolarHBondContact OE1-NE 2.96Å; E356-R359 VanDerWaalsContact OE1-NE 3.11Å; E356-R359 IonicContact OE1-NH2 2.74Å; E356-R359 PolarHBondContact OE1-NH2 3.31Å; E356-R359 IonicContact OE2-NE 3.87Å; R359-V361 VanDerWaalsContact C-N 3.29Å; R359-V361 PolarHBondContact O-N 2.9Å; R359-T362 PolarHBondContact O-N 3.15Å; R359-T362 PolarHBondContact O-OG1 3.36Å; R359-E363 IonicContact NH1-OE1 2.68Å |
| 360 | T | 53.5 | Low | 52.8 | Low | 95 Ų | 95 | 125.9 Ų | 125.9 | 58% | 0.583 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -74.9 | -15.1 | -177.9 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 361 | V | 47.9 | Very low | 53.5 | Low | 105 Ų | 105 | 123.6 Ų | 123.6 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -90.2 | -22.2 | 178.5 | 178 | 0 | 0 | 0 | 0 | 111.7 | R359 | R359-V361 VanDerWaalsContact C-N 3.29Å; R359-V361 PolarHBondContact O-N 2.9Å |
| 362 | T | 48 | Very low | 54.3 | Low | 107 Ų | 107 | 120.3 Ų | 120.3 | 66% | 0.656 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.9 | -14.3 | -178.3 | 10.9 | 0 | 0 | 0 | 0 | 114.4 | L358 R359 | L358-T362 PolarHBondContact O-OG1 3.45Å; L358-T362 VanDerWaalsContact O-OG1 3.07Å; R359-T362 PolarHBondContact O-N 3.15Å; R359-T362 PolarHBondContact O-OG1 3.36Å |
| 363 | E | 48.3 | Very low | 54.7 | Low | 144 Ų | 144 | 119.4 Ų | 119.4 | 67% | 0.673 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 0.7 | 178.8 | -71.6 | 173.8 | 179.5 | 0 | 0 | 114 | R359 | R359-E363 IonicContact NH1-OE1 2.68Š|
| 364 | S | 51.1 | Low | 55.7 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 11.4 | 179.9 | 67.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 365 | A | 44.5 | Very low | 56.7 | Low | 83 Ų | 83 | 120.2 Ų | 120.2 | 69% | 0.686 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -103.9 | 16 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 366 | L | 51.2 | Low | 58.2 | Low | 154 Ų | 154 | 118.9 Ų | 118.9 | 81% | 0.806 | 62% | 0.622 | S | S | * | * | trans | -121.8 | 84.5 | 175.7 | -71.4 | 164.3 | 0 | 0 | 0 | 109.6 | ||||
| 367 | S | 61 | Low | 59.4 | Low | 62 Ų | 62 | 119.1 Ų | 119.1 | 43% | 0.434 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -166.4 | -5.4 | 167.1 | 121.2 | 0 | 0 | 0 | 0 | 117.2 | R371 | S367-R371 PolarHBondContact O-NH2 2.98Å; S367-R371 VanDerWaalsContact O-NH2 3.08Å; S367-R371 PolarHBondContact OG-NH2 2.89Å |
| 368 | E | 55 | Low | 60.9 | Low | 153 Ų | 153 | 114.6 Ų | 114.6 | 72% | 0.715 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -94.4 | -32.5 | 177.5 | -72.4 | -89.3 | 130.3 | 0 | 0 | 112.6 | A372 | E368-A372 PolarHBondContact O-N 3.42Å; E368-A372 VanDerWaalsContact O-N 3.16Å |
| 369 | E | 58.4 | Low | 62.4 | Low | 169 Ų | 169 | 112.8 Ų | 112.8 | 79% | 0.79 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.6 | -37.7 | -171.6 | -148.7 | 154.2 | -164.9 | 0 | 0 | 113 | R371 A372 A373 | E369-R371 VanDerWaalsContact C-N 3.32Å; E369-R371 PolarHBondContact O-N 3.42Å; E369-A372 PolarHBondContact O-N 3.23Å; E369-A373 WeakPolarHBondContact O-CB 3.43Å; E369-A373 PolarHBondContact O-N 3.03Å |
| 370 | E | 59.9 | Low | 64.1 | Low | 152 Ų | 152 | 111.2 Ų | 111.2 | 71% | 0.71 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.4 | -28.2 | 174.3 | -67.4 | 179.9 | 163.7 | 0 | 0 | 112.5 | H374 | E370-H374 WeakPolarHBondContact O-CB 3.35Å; E370-H374 PolarHBondContact O-N 3.43Å |
| 371 | R | 62.7 | Low | 65.7 | Low | 154 Ų | 154 | 111.2 Ų | 111.2 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78 | -34.6 | 177.7 | -149.5 | -177.7 | -57.9 | 148.7 | 7.7 | 111.7 | S367 E369 M375 | S367-R371 PolarHBondContact O-NH2 2.98Å; S367-R371 VanDerWaalsContact O-NH2 3.08Å; S367-R371 PolarHBondContact OG-NH2 2.89Å; E369-R371 VanDerWaalsContact C-N 3.32Å; E369-R371 PolarHBondContact O-N 3.42Å; R371-M375 WeakPolarHBondContact O-CB 3.45Å; R371-M375 PolarHBondContact O-N 3.28Å |
| 372 | A | 67.1 | Low | 67.3 | Low | 57 Ų | 57 | 108.8 Ų | 108.8 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.8 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E368 E369 H374 M375 E376 | E368-A372 PolarHBondContact O-N 3.42Å; E368-A372 VanDerWaalsContact O-N 3.16Å; E369-A372 PolarHBondContact O-N 3.23Å; A372-H374 PolarHBondContact O-N 2.9Å; A372-M375 PolarHBondContact O-N 3.01Å; A372-E376 WeakPolarHBondContact O-CB 3.35Å; A372-E376 PolarHBondContact O-N 3.06Å |
| 373 | A | 72.8 | Confident | 68.9 | Low | 55 Ų | 55 | 108.4 Ų | 108.4 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.3 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | E369 E376 Q377 | E369-A373 WeakPolarHBondContact O-CB 3.43Å; E369-A373 PolarHBondContact O-N 3.03Å; A373-E376 PolarHBondContact O-N 2.74Å; A373-Q377 WeakPolarHBondContact O-CB 3.45Å; A373-Q377 PolarHBondContact O-N 2.9Å |
| 374 | H | 72.6 | Confident | 70.9 | Confident | 121 Ų | 121 | 107.4 Ų | 107.4 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.4 | -38.3 | 175.6 | -175.7 | -82.6 | 0 | 0 | 0 | 112.6 | E370 A372 I378 | E370-H374 WeakPolarHBondContact O-CB 3.35Å; E370-H374 PolarHBondContact O-N 3.43Å; A372-H374 PolarHBondContact O-N 2.9Å; H374-I378 WeakPolarHBondContact CE1-CD1 3.4Å; H374-I378 WeakPolarHBondContact ND1-CD1 3.44Å; H374-I378 WeakPolarHBondContact O-CG1 3.37Å; H374-I378 PolarHBondContact O-N 3.11Å; H374-I378 VanDerWaalsContact O-N 3.08Å |
| 375 | M | 74.6 | Confident | 72.5 | Confident | 117 Ų | 117 | 107.7 Ų | 107.7 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.2 | -38.5 | 175.1 | -170 | 69.2 | 89.4 | 0 | 0 | 111.5 | R371 A372 I378 L379 | R371-M375 WeakPolarHBondContact O-CB 3.45Å; R371-M375 PolarHBondContact O-N 3.28Å; A372-M375 PolarHBondContact O-N 3.01Å; M375-I378 PolarHBondContact O-N 2.72Å; M375-L379 HydrophobicContact CG-CD1 4.41Å; M375-L379 WeakPolarHBondContact O-CB 3.41Å; M375-L379 WeakPolarHBondContact O-CG 3.29Å; M375-L379 PolarHBondContact O-N 3.12Å |
| 376 | E | 79.2 | Confident | 74.4 | Confident | 127 Ų | 127 | 108.6 Ų | 108.6 | 59% | 0.593 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -36.9 | 176.2 | -166.2 | 166.5 | -160.6 | 0 | 0 | 111.8 | A372 A373 L379 L380 | A372-E376 WeakPolarHBondContact O-CB 3.35Å; A372-E376 PolarHBondContact O-N 3.06Å; A373-E376 PolarHBondContact O-N 2.74Å; E376-L379 PolarHBondContact O-N 3.28Å; E376-L380 HydrophobicContact CG-CD1 4.46Å; E376-L380 WeakPolarHBondContact O-CB 3.44Å; E376-L380 PolarHBondContact O-N 3.46Å |
| 377 | Q | 83.3 | Confident | 76.2 | Confident | 111 Ų | 111 | 107.1 Ų | 107.1 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 172.1 | -173.9 | 176.3 | -12.6 | 0 | 0 | 112.3 | A373 L379 L380 E381 | A373-Q377 WeakPolarHBondContact O-CB 3.45Å; A373-Q377 PolarHBondContact O-N 2.9Å; Q377-L379 VanDerWaalsContact C-N 3.32Å; Q377-L379 PolarHBondContact O-N 2.96Å; Q377-L380 PolarHBondContact O-N 3.42Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.46Å; Q377-E381 PolarHBondContact NE2-OE1 2.87Å; Q377-E381 WeakPolarHBondContact O-CB 3.38Å; Q377-E381 WeakPolarHBondContact O-CG 3.38Å; Q377-E381 PolarHBondContact O-N 3.43Å |
| 378 | I | 82.6 | Confident | 77.6 | Confident | 78 Ų | 78 | 109.6 Ų | 109.6 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 175.5 | -71.3 | 173.2 | 0 | 0 | 0 | 111.3 | H374 M375 E381 A382 | H374-I378 WeakPolarHBondContact CE1-CD1 3.4Å; H374-I378 WeakPolarHBondContact ND1-CD1 3.44Å; H374-I378 WeakPolarHBondContact O-CG1 3.37Å; H374-I378 PolarHBondContact O-N 3.11Å; H374-I378 VanDerWaalsContact O-N 3.08Å; M375-I378 PolarHBondContact O-N 2.72Å; I378-E381 PolarHBondContact O-N 3.08Å; I378-A382 VanDerWaalsContact O-CB 3.29Å; I378-A382 WeakPolarHBondContact O-CB 3.3Å; I378-A382 PolarHBondContact O-N 3.44Å |
| 379 | L | 82.5 | Confident | 79.3 | Confident | 101 Ų | 101 | 107.6 Ų | 107.6 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 176 | -74.1 | 172.3 | 0 | 0 | 0 | 111.6 | M375 E376 Q377 A382 E383 | M375-L379 HydrophobicContact CG-CD1 4.41Å; M375-L379 WeakPolarHBondContact O-CB 3.41Å; M375-L379 WeakPolarHBondContact O-CG 3.29Å; M375-L379 PolarHBondContact O-N 3.12Å; E376-L379 PolarHBondContact O-N 3.28Å; Q377-L379 VanDerWaalsContact C-N 3.32Å; Q377-L379 PolarHBondContact O-N 2.96Å; L379-A382 PolarHBondContact O-N 3.39Å; L379-E383 WeakPolarHBondContact O-CB 3.37Å; L379-E383 WeakPolarHBondContact O-CG 3.45Å; L379-E383 PolarHBondContact O-N 2.97Å |
| 380 | L | 89.5 | Confident | 80.6 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.6 | -90.4 | 157.6 | 0 | 0 | 0 | 112.6 | E376 Q377 E383 Q384 | E376-L380 HydrophobicContact CG-CD1 4.46Å; E376-L380 WeakPolarHBondContact O-CB 3.44Å; E376-L380 PolarHBondContact O-N 3.46Å; Q377-L380 PolarHBondContact O-N 3.42Å; L380-E383 PolarHBondContact O-N 3.05Å; L380-Q384 WeakPolarHBondContact O-CB 3.42Å; L380-Q384 WeakPolarHBondContact O-CG 3.37Å; L380-Q384 PolarHBondContact O-N 2.87Å |
| 381 | E | 87.1 | Confident | 82.1 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 175.3 | -73.1 | 172.4 | -168 | 0 | 0 | 110.8 | Q377 I378 E383 Q384 D385 | Q377-E381 WeakPolarHBondContact CG-OE1 3.46Å; Q377-E381 PolarHBondContact NE2-OE1 2.87Å; Q377-E381 WeakPolarHBondContact O-CB 3.38Å; Q377-E381 WeakPolarHBondContact O-CG 3.38Å; Q377-E381 PolarHBondContact O-N 3.43Å; I378-E381 PolarHBondContact O-N 3.08Å; E381-E383 PolarHBondContact O-N 3.35Å; E381-Q384 PolarHBondContact O-N 2.67Å; E381-D385 PolarHBondContact O-N 3.49Å |
| 382 | A | 81.4 | Confident | 83.4 | Confident | 53 Ų | 53 | 97.1 Ų | 97.1 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | I378 L379 D385 M386 | I378-A382 VanDerWaalsContact O-CB 3.29Å; I378-A382 WeakPolarHBondContact O-CB 3.3Å; I378-A382 PolarHBondContact O-N 3.44Å; L379-A382 PolarHBondContact O-N 3.39Å; A382-D385 PolarHBondContact O-N 2.86Å; A382-M386 WeakPolarHBondContact O-CB 3.44Å; A382-M386 PolarHBondContact O-N 2.89Å |
| 383 | E | 82.6 | Confident | 84.3 | Confident | 99 Ų | 99 | 100.1 Ų | 100.1 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 173.6 | -80.4 | -175.4 | -174.3 | 0 | 0 | 112.4 | L379 L380 E381 K387 | L379-E383 WeakPolarHBondContact O-CB 3.37Å; L379-E383 WeakPolarHBondContact O-CG 3.45Å; L379-E383 PolarHBondContact O-N 2.97Å; L380-E383 PolarHBondContact O-N 3.05Å; E381-E383 PolarHBondContact O-N 3.35Å; E383-K387 WeakPolarHBondContact O-CB 3.32Å; E383-K387 VanDerWaalsContact O-CG 3.31Å; E383-K387 WeakPolarHBondContact O-CG 3.33Å; E383-K387 PolarHBondContact O-N 3.45Å |
| 384 | Q | 88.9 | Confident | 85.2 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | 173.2 | -82.2 | 179 | -12.6 | 0 | 0 | 111.4 | L380 E381 M386 K387 M388 | L380-Q384 WeakPolarHBondContact O-CB 3.42Å; L380-Q384 WeakPolarHBondContact O-CG 3.37Å; L380-Q384 PolarHBondContact O-N 2.87Å; E381-Q384 PolarHBondContact O-N 2.67Å; Q384-M386 VanDerWaalsContact C-N 3.33Å; Q384-M386 PolarHBondContact O-N 3.46Å; Q384-K387 PolarHBondContact O-N 2.77Å; Q384-M388 WeakPolarHBondContact O-CG 3.5Å; Q384-M388 PolarHBondContact O-N 3.36Å |
| 385 | D | 86.2 | Confident | 86.2 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 176 | -76.8 | -14.9 | 0 | 0 | 0 | 111.8 | E381 A382 M388 L389 | E381-D385 PolarHBondContact O-N 3.49Å; A382-D385 PolarHBondContact O-N 2.86Å; D385-M388 PolarHBondContact O-N 3.36Å; D385-L389 WeakPolarHBondContact O-CB 3.3Å; D385-L389 PolarHBondContact O-N 3.08Å |
| 386 | M | 83.8 | Confident | 86.9 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 50% | 0.502 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.2 | -166.6 | 179.1 | 76.1 | 0 | 0 | 111.5 | A382 Q384 M388 L389 E390 | A382-M386 WeakPolarHBondContact O-CB 3.44Å; A382-M386 PolarHBondContact O-N 2.89Å; Q384-M386 VanDerWaalsContact C-N 3.33Å; Q384-M386 PolarHBondContact O-N 3.46Å; M386-M388 VanDerWaalsContact C-N 3.32Å; M386-M388 PolarHBondContact O-N 3.27Å; M386-L389 PolarHBondContact O-N 3.31Å; M386-E390 WeakPolarHBondContact O-CB 3.47Å; M386-E390 WeakPolarHBondContact O-CG 3.4Å; M386-E390 PolarHBondContact O-N 3.47Å |
| 387 | K | 89.8 | Confident | 87.6 | Confident | 123 Ų | 123 | 100.8 Ų | 100.8 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 174.8 | -76.5 | 169.2 | -176.6 | 159.9 | 0 | 112.5 | E383 Q384 A391 | E383-K387 WeakPolarHBondContact O-CB 3.32Å; E383-K387 VanDerWaalsContact O-CG 3.31Å; E383-K387 WeakPolarHBondContact O-CG 3.33Å; E383-K387 PolarHBondContact O-N 3.45Å; Q384-K387 PolarHBondContact O-N 2.77Å; K387-A391 WeakPolarHBondContact O-CB 3.45Å; K387-A391 PolarHBondContact O-N 2.91Å |
| 388 | M | 90.4 | Very high | 88.1 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 175.4 | -73.2 | -64.8 | -63.4 | 0 | 0 | 111.7 | Q384 D385 M386 A391 Q392 | Q384-M388 WeakPolarHBondContact O-CG 3.5Å; Q384-M388 PolarHBondContact O-N 3.36Å; D385-M388 PolarHBondContact O-N 3.36Å; M386-M388 VanDerWaalsContact C-N 3.32Å; M386-M388 PolarHBondContact O-N 3.27Å; M388-A391 PolarHBondContact O-N 3.13Å; M388-Q392 VanDerWaalsContact O-CG 3.31Å; M388-Q392 WeakPolarHBondContact O-CG 3.26Å; M388-Q392 PolarHBondContact O-N 3.46Å |
| 389 | L | 89.3 | Confident | 88.5 | Confident | 111 Ų | 111 | 99.3 Ų | 99.3 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -39.8 | 175.1 | -80 | 163.2 | 0 | 0 | 0 | 112.3 | D385 M386 Q392 Q393 | D385-L389 WeakPolarHBondContact O-CB 3.3Å; D385-L389 PolarHBondContact O-N 3.08Å; M386-L389 PolarHBondContact O-N 3.31Å; L389-Q392 PolarHBondContact O-N 2.96Å; L389-Q393 WeakPolarHBondContact O-CB 3.34Å; L389-Q393 PolarHBondContact O-N 3.49Å |
| 390 | E | 85.5 | Confident | 89 | Confident | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 174.4 | -76 | 176.9 | 173.6 | 0 | 0 | 111.6 | M386 Q393 H394 | M386-E390 WeakPolarHBondContact O-CB 3.47Å; M386-E390 WeakPolarHBondContact O-CG 3.4Å; M386-E390 PolarHBondContact O-N 3.47Å; E390-Q393 PolarHBondContact O-N 2.87Å; E390-H394 WeakPolarHBondContact O-CB 3.5Å; E390-H394 PolarHBondContact O-N 3.05Å |
| 391 | A | 91.3 | Very high | 89.2 | Confident | 48 Ų | 48 | 102.3 Ų | 102.3 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | K387 M388 Q393 H394 D395 | K387-A391 WeakPolarHBondContact O-CB 3.45Å; K387-A391 PolarHBondContact O-N 2.91Å; M388-A391 PolarHBondContact O-N 3.13Å; A391-Q393 VanDerWaalsContact C-N 3.33Å; A391-Q393 PolarHBondContact O-N 3.28Å; A391-H394 WeakPolarHBondContact O-CB 3.45Å; A391-H394 PolarHBondContact O-N 3.46Å; A391-D395 PolarHBondContact O-N 2.92Å |
| 392 | Q | 90.9 | Very high | 89.6 | Confident | 103 Ų | 103 | 103.3 Ų | 103.3 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.1 | -73.7 | 176.1 | -1 | 0 | 0 | 112.4 | M388 L389 H394 D395 L396 | M388-Q392 VanDerWaalsContact O-CG 3.31Å; M388-Q392 WeakPolarHBondContact O-CG 3.26Å; M388-Q392 PolarHBondContact O-N 3.46Å; L389-Q392 PolarHBondContact O-N 2.96Å; Q392-H394 VanDerWaalsContact C-N 3.32Å; Q392-D395 PolarHBondContact O-N 3.37Å; Q392-L396 WeakPolarHBondContact O-CB 3.46Å; Q392-L396 VanDerWaalsContact O-CG 3.29Å; Q392-L396 WeakPolarHBondContact O-CG 3.43Å; Q392-L396 PolarHBondContact O-N 3.41Å |
| 393 | Q | 86.3 | Confident | 90.1 | Very high | 120 Ų | 120 | 105.8 Ų | 105.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -38.4 | 176.2 | -170.8 | -177.6 | 5.7 | 0 | 0 | 111.3 | L389 E390 A391 M397 | L389-Q393 WeakPolarHBondContact O-CB 3.34Å; L389-Q393 PolarHBondContact O-N 3.49Å; E390-Q393 PolarHBondContact O-N 2.87Å; A391-Q393 VanDerWaalsContact C-N 3.33Å; A391-Q393 PolarHBondContact O-N 3.28Å; Q393-M397 HydrophobicContact CG-CE 4.41Å; Q393-M397 WeakPolarHBondContact O-CB 3.43Å; Q393-M397 WeakPolarHBondContact O-CG 3.36Å; Q393-M397 PolarHBondContact O-N 3.48Å |
| 394 | H | 92.3 | Very high | 90.6 | Very high | 103 Ų | 103 | 107.1 Ų | 107.1 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 176 | -168 | 35.7 | 0 | 0 | 0 | 111.7 | E390 A391 Q392 L396 M397 E398 | E390-H394 WeakPolarHBondContact O-CB 3.5Å; E390-H394 PolarHBondContact O-N 3.05Å; A391-H394 WeakPolarHBondContact O-CB 3.45Å; A391-H394 PolarHBondContact O-N 3.46Å; Q392-H394 VanDerWaalsContact C-N 3.32Å; H394-L396 VanDerWaalsContact C-N 3.33Å; H394-L396 PolarHBondContact O-N 3.1Å; H394-M397 PolarHBondContact O-N 3Å; H394-M397 VanDerWaalsContact O-N 3.14Å; H394-E398 PolarHBondContact O-N 3.44Å |
| 395 | D | 91.8 | Very high | 90.9 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.8 | -70.4 | -18.6 | 0 | 0 | 0 | 111.8 | A391 Q392 E398 E399 | A391-D395 PolarHBondContact O-N 2.92Å; Q392-D395 PolarHBondContact O-N 3.37Å; D395-E398 PolarHBondContact O-N 2.97Å; D395-E399 PolarHBondContact O-N 2.96Å |
| 396 | L | 91.1 | Very high | 91.2 | Very high | 126 Ų | 126 | 106 Ų | 106 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 176.1 | -76.1 | 168.8 | 0 | 0 | 0 | 112.4 | Q392 H394 E399 L400 | Q392-L396 WeakPolarHBondContact O-CB 3.46Å; Q392-L396 VanDerWaalsContact O-CG 3.29Å; Q392-L396 WeakPolarHBondContact O-CG 3.43Å; Q392-L396 PolarHBondContact O-N 3.41Å; H394-L396 VanDerWaalsContact C-N 3.33Å; H394-L396 PolarHBondContact O-N 3.1Å; L396-E399 PolarHBondContact O-N 2.98Å; L396-L400 VanDerWaalsContact O-CB 3.32Å; L396-L400 WeakPolarHBondContact O-CB 3.49Å; L396-L400 PolarHBondContact O-N 3.44Å |
| 397 | M | 92.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 107.6 Ų | 107.6 | 52% | 0.522 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 174.8 | -81.6 | -169.1 | -62.4 | 0 | 0 | 112.2 | Q393 H394 L400 F401 | Q393-M397 HydrophobicContact CG-CE 4.41Å; Q393-M397 WeakPolarHBondContact O-CB 3.43Å; Q393-M397 WeakPolarHBondContact O-CG 3.36Å; Q393-M397 PolarHBondContact O-N 3.48Å; H394-M397 PolarHBondContact O-N 3Å; H394-M397 VanDerWaalsContact O-N 3.14Å; M397-L400 PolarHBondContact O-N 3.08Å; M397-F401 WeakPolarHBondContact O-CB 3.34Å; M397-F401 PolarHBondContact O-N 3.46Å |
| 398 | E | 93.3 | Very high | 91.9 | Very high | 77 Ų | 77 | 107.6 Ų | 107.6 | 36% | 0.36 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.6 | -75.6 | -158.4 | 168.5 | 0 | 0 | 111.8 | H394 D395 F401 R402 | H394-E398 PolarHBondContact O-N 3.44Å; D395-E398 PolarHBondContact O-N 2.97Å; E398-F401 PolarHBondContact O-N 3.36Å; E398-R402 PolarHBondContact O-N 3.04Å; E398-R402 IonicContact OE2-CZ 3.11Å; E398-R402 IonicContact OE2-NH1 2.66Å; E398-R402 PolarHBondContact OE2-NH1 3.42Å; E398-R402 IonicContact OE2-NH2 3.61Å; E398-R402 PolarHBondContact OE2-NH2 2.9Å |
| 399 | E | 92.5 | Very high | 92.1 | Very high | 82 Ų | 82 | 104.4 Ų | 104.4 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 178 | -173.6 | 54.2 | -151.1 | 0 | 0 | 111.1 | D395 L396 F401 R402 Q403 | D395-E399 PolarHBondContact O-N 2.96Å; L396-E399 PolarHBondContact O-N 2.98Å; E399-F401 VanDerWaalsContact C-N 3.28Å; E399-F401 PolarHBondContact O-N 2.84Å; E399-R402 PolarHBondContact O-N 2.9Å; E399-R402 IonicContact OE2-NE 2.74Å; E399-R402 PolarHBondContact OE2-NE 3.26Å; E399-Q403 HydrophobicContact CG-CG 4.43Å; E399-Q403 WeakPolarHBondContact O-CB 3.25Å; E399-Q403 VanDerWaalsContact O-CG 3.23Å; E399-Q403 WeakPolarHBondContact O-CG 3.36Å; E399-Q403 PolarHBondContact O-N 3.32Å; E399-Q403 PolarHBondContact OE1-NE2 3.48Å |
| 400 | L | 91.4 | Very high | 92.2 | Very high | 119 Ų | 119 | 101.6 Ų | 101.6 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 174.2 | -171.1 | 146 | 0 | 0 | 0 | 111.7 | L396 M397 K404 | L396-L400 VanDerWaalsContact O-CB 3.32Å; L396-L400 WeakPolarHBondContact O-CB 3.49Å; L396-L400 PolarHBondContact O-N 3.44Å; M397-L400 PolarHBondContact O-N 3.08Å; L400-K404 VanDerWaalsContact O-CB 3.3Å; L400-K404 WeakPolarHBondContact O-CB 3.43Å; L400-K404 PolarHBondContact O-N 3.42Å |
| 401 | F | 94.2 | Very high | 92.6 | Very high | 137 Ų | 137 | 101.4 Ų | 101.4 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -46.5 | 174.9 | -176.1 | -96.5 | 0 | 0 | 0 | 111.9 | M397 E398 E399 Q403 K404 Q405 | M397-F401 WeakPolarHBondContact O-CB 3.34Å; M397-F401 PolarHBondContact O-N 3.46Å; E398-F401 PolarHBondContact O-N 3.36Å; E399-F401 VanDerWaalsContact C-N 3.28Å; E399-F401 PolarHBondContact O-N 2.84Å; F401-Q403 PolarHBondContact O-N 2.86Å; F401-K404 PolarHBondContact O-N 2.97Å; F401-Q405 PolarHBondContact O-N 2.91Å |
| 402 | R | 95.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.8 | -48 | 173.9 | -83 | -170.3 | -91.4 | -90.4 | -3.3 | 111.3 | E398 E399 K404 Q405 N406 | E398-R402 PolarHBondContact O-N 3.04Å; E398-R402 IonicContact OE2-CZ 3.11Å; E398-R402 IonicContact OE2-NH1 2.66Å; E398-R402 PolarHBondContact OE2-NH1 3.42Å; E398-R402 IonicContact OE2-NH2 3.61Å; E398-R402 PolarHBondContact OE2-NH2 2.9Å; E399-R402 PolarHBondContact O-N 2.9Å; E399-R402 IonicContact OE2-NE 2.74Å; E399-R402 PolarHBondContact OE2-NE 3.26Å; R402-K404 PolarHBondContact O-N 3.12Å; R402-Q405 PolarHBondContact O-N 2.68Å; R402-N406 WeakPolarHBondContact O-CB 3.38Å; R402-N406 PolarHBondContact O-N 3.48Å; R402-N406 PolarHBondContact O-ND2 3.32Å |
| 403 | Q | 93.3 | Very high | 93 | Very high | 106 Ų | 106 | 104.4 Ų | 104.4 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.9 | -70.2 | -67.3 | -17.9 | 0 | 0 | 112 | E399 F401 N406 F407 | E399-Q403 HydrophobicContact CG-CG 4.43Å; E399-Q403 WeakPolarHBondContact O-CB 3.25Å; E399-Q403 VanDerWaalsContact O-CG 3.23Å; E399-Q403 WeakPolarHBondContact O-CG 3.36Å; E399-Q403 PolarHBondContact O-N 3.32Å; E399-Q403 PolarHBondContact OE1-NE2 3.48Å; F401-Q403 PolarHBondContact O-N 2.86Å; Q403-N406 PolarHBondContact O-N 2.93Å; Q403-F407 WeakPolarHBondContact O-CB 3.38Å; Q403-F407 PolarHBondContact O-N 2.84Å |
| 404 | K | 93.3 | Very high | 93.3 | Very high | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 177.1 | -169.8 | 173.5 | -177.1 | 176.9 | 0 | 112.1 | L400 F401 R402 F407 Q408 | L400-K404 VanDerWaalsContact O-CB 3.3Å; L400-K404 WeakPolarHBondContact O-CB 3.43Å; L400-K404 PolarHBondContact O-N 3.42Å; F401-K404 PolarHBondContact O-N 2.97Å; R402-K404 PolarHBondContact O-N 3.12Å; K404-F407 PolarHBondContact O-N 3.4Å; K404-Q408 WeakPolarHBondContact O-CG 3.45Å; K404-Q408 PolarHBondContact O-N 3.31Å |
| 405 | Q | 93.8 | Very high | 93.5 | Very high | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 175 | -169.2 | 178 | 17.7 | 0 | 0 | 111.3 | F401 R402 F407 Q408 S409 | F401-Q405 PolarHBondContact O-N 2.91Å; R402-Q405 PolarHBondContact O-N 2.68Å; Q405-F407 PolarHBondContact O-N 2.94Å; Q405-Q408 PolarHBondContact O-N 3.3Å; Q405-S409 PolarHBondContact O-N 2.98Å |
| 406 | N | 93.3 | Very high | 93.6 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 47% | 0.465 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.8 | -72.8 | -18.6 | 0 | 0 | 0 | 111.1 | R402 Q403 Q408 S409 A410 | R402-N406 WeakPolarHBondContact O-CB 3.38Å; R402-N406 PolarHBondContact O-N 3.48Å; R402-N406 PolarHBondContact O-ND2 3.32Å; Q403-N406 PolarHBondContact O-N 2.93Å; N406-Q408 PolarHBondContact O-N 2.99Å; N406-S409 PolarHBondContact O-N 3.25Å; N406-S409 PolarHBondContact O-OG 3.41Å; N406-A410 PolarHBondContact O-N 3.42Å |
| 407 | F | 94.4 | Very high | 93.8 | Very high | 135 Ų | 135 | 105.4 Ų | 105.4 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -43.9 | 175.6 | 176.4 | -102.7 | 0 | 0 | 0 | 112.3 | Q403 K404 Q405 S409 A410 K411 | Q403-F407 WeakPolarHBondContact O-CB 3.38Å; Q403-F407 PolarHBondContact O-N 2.84Å; K404-F407 PolarHBondContact O-N 3.4Å; Q405-F407 PolarHBondContact O-N 2.94Å; F407-S409 VanDerWaalsContact C-N 3.35Å; F407-S409 PolarHBondContact O-N 3.18Å; F407-A410 PolarHBondContact O-N 3Å; F407-K411 HydrophobicContact CE1-CD 4.24Å; F407-K411 HydrophobicContact CZ-CD 4.46Å; F407-K411 WeakPolarHBondContact O-CB 3.41Å; F407-K411 PolarHBondContact O-N 2.96Å |
| 408 | Q | 94.1 | Very high | 94 | Very high | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 175.2 | -74.3 | -160.1 | 9.7 | 0 | 0 | 112.2 | K404 Q405 N406 A410 K411 T412 | K404-Q408 WeakPolarHBondContact O-CG 3.45Å; K404-Q408 PolarHBondContact O-N 3.31Å; Q405-Q408 PolarHBondContact O-N 3.3Å; N406-Q408 PolarHBondContact O-N 2.99Å; Q408-A410 VanDerWaalsContact C-N 3.32Å; Q408-A410 PolarHBondContact O-N 3.15Å; Q408-K411 PolarHBondContact O-N 2.96Å; Q408-T412 WeakPolarHBondContact O-CG2 3.22Å; Q408-T412 PolarHBondContact O-N 3.24Å; Q408-T412 PolarHBondContact O-OG1 3.25Å |
| 409 | S | 93.6 | Very high | 94 | Very high | 47 Ų | 47 | 104.3 Ų | 104.3 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -37 | 175.8 | 84.3 | 0 | 0 | 0 | 0 | 112.4 | Q405 N406 F407 T412 K413 | Q405-S409 PolarHBondContact O-N 2.98Å; N406-S409 PolarHBondContact O-N 3.25Å; N406-S409 PolarHBondContact O-OG 3.41Å; F407-S409 VanDerWaalsContact C-N 3.35Å; F407-S409 PolarHBondContact O-N 3.18Å; S409-T412 PolarHBondContact O-OG1 3.42Å; S409-K413 VanDerWaalsContact O-CG 3.27Å; S409-K413 WeakPolarHBondContact O-CG 3.49Å; S409-K413 PolarHBondContact O-N 3.08Å; S409-K413 VanDerWaalsContact O-N 3.12Å |
| 410 | A | 91.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N406 F407 Q408 T412 K413 E414 | N406-A410 PolarHBondContact O-N 3.42Å; F407-A410 PolarHBondContact O-N 3Å; Q408-A410 VanDerWaalsContact C-N 3.32Å; Q408-A410 PolarHBondContact O-N 3.15Å; A410-T412 PolarHBondContact O-N 2.97Å; A410-K413 WeakPolarHBondContact O-CB 3.44Å; A410-K413 PolarHBondContact O-N 3.43Å; A410-E414 WeakPolarHBondContact O-CB 3.5Å; A410-E414 PolarHBondContact O-N 2.68Å |
| 411 | K | 95.1 | Very high | 94.2 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 177.6 | -170.2 | 169.9 | -172.3 | 169.6 | 0 | 113 | F407 Q408 K415 | F407-K411 HydrophobicContact CE1-CD 4.24Å; F407-K411 HydrophobicContact CZ-CD 4.46Å; F407-K411 WeakPolarHBondContact O-CB 3.41Å; F407-K411 PolarHBondContact O-N 2.96Å; Q408-K411 PolarHBondContact O-N 2.96Å; K411-K415 WeakPolarHBondContact O-CG 3.42Å; K411-K415 PolarHBondContact O-N 2.92Å; K411-K415 VanDerWaalsContact O-N 3.12Å |
| 412 | T | 94.4 | Very high | 94.2 | Very high | 78 Ų | 78 | 100 Ų | 100 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -40.7 | 173.6 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | Q408 S409 A410 E414 K415 N416 | Q408-T412 WeakPolarHBondContact O-CG2 3.22Å; Q408-T412 PolarHBondContact O-N 3.24Å; Q408-T412 PolarHBondContact O-OG1 3.25Å; S409-T412 PolarHBondContact O-OG1 3.42Å; A410-T412 PolarHBondContact O-N 2.97Å; T412-E414 VanDerWaalsContact C-N 3.34Å; T412-E414 PolarHBondContact O-N 3.01Å; T412-K415 PolarHBondContact O-N 3.15Å; T412-N416 VanDerWaalsContact O-CG 3.23Å; T412-N416 PolarHBondContact O-N 3.42Å; T412-N416 PolarHBondContact O-ND2 3.02Å |
| 413 | K | 94.9 | Very high | 94.2 | Very high | 136 Ų | 136 | 101.1 Ų | 101.1 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 172.2 | -73.1 | 171.4 | -177.3 | 175.7 | 0 | 111.7 | S409 A410 N416 L417 | S409-K413 VanDerWaalsContact O-CG 3.27Å; S409-K413 WeakPolarHBondContact O-CG 3.49Å; S409-K413 PolarHBondContact O-N 3.08Å; S409-K413 VanDerWaalsContact O-N 3.12Å; A410-K413 WeakPolarHBondContact O-CB 3.44Å; A410-K413 PolarHBondContact O-N 3.43Å; K413-N416 PolarHBondContact O-N 3.42Å; K413-L417 WeakPolarHBondContact O-CG 3.27Å; K413-L417 PolarHBondContact O-N 3.47Å |
| 414 | E | 94.1 | Very high | 94.2 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -50 | 176 | -175.1 | -169.9 | 179.6 | 0 | 0 | 111.6 | A410 T412 N416 L417 I418 | A410-E414 WeakPolarHBondContact O-CB 3.5Å; A410-E414 PolarHBondContact O-N 2.68Å; T412-E414 VanDerWaalsContact C-N 3.34Å; T412-E414 PolarHBondContact O-N 3.01Å; E414-N416 VanDerWaalsContact C-N 3.29Å; E414-N416 PolarHBondContact O-N 2.94Å; E414-L417 PolarHBondContact O-N 2.91Å; E414-L417 VanDerWaalsContact O-N 3.13Å; E414-I418 HydrophobicContact CG-CD1 4.03Å; E414-I418 WeakPolarHBondContact O-CG1 3.48Å; E414-I418 PolarHBondContact O-N 3.47Å |
| 415 | K | 95.4 | Very high | 94.4 | Very high | 133 Ų | 133 | 100.8 Ų | 100.8 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.8 | -42 | 176.3 | -74 | 179.2 | 178.7 | -173.3 | 0 | 112.5 | K411 T412 I418 A419 | K411-K415 WeakPolarHBondContact O-CG 3.42Å; K411-K415 PolarHBondContact O-N 2.92Å; K411-K415 VanDerWaalsContact O-N 3.12Å; T412-K415 PolarHBondContact O-N 3.15Å; K415-I418 PolarHBondContact O-N 2.92Å; K415-A419 WeakPolarHBondContact O-CB 3.35Å; K415-A419 PolarHBondContact O-N 2.84Å |
| 416 | N | 94.6 | Very high | 94.5 | Very high | 113 Ų | 113 | 102.1 Ų | 102.1 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 177.1 | -68.3 | -16 | 0 | 0 | 0 | 111.6 | T412 K413 E414 A419 L420 | T412-N416 VanDerWaalsContact O-CG 3.23Å; T412-N416 PolarHBondContact O-N 3.42Å; T412-N416 PolarHBondContact O-ND2 3.02Å; K413-N416 PolarHBondContact O-N 3.42Å; E414-N416 VanDerWaalsContact C-N 3.29Å; E414-N416 PolarHBondContact O-N 2.94Å; N416-A419 PolarHBondContact O-N 3.15Å; N416-L420 WeakPolarHBondContact O-CB 3.42Å; N416-L420 PolarHBondContact O-N 3.25Å |
| 417 | L | 94.9 | Very high | 94.6 | Very high | 110 Ų | 110 | 100.8 Ų | 100.8 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -38.6 | 175.5 | -71.6 | 173.1 | 0 | 0 | 0 | 112.1 | K413 E414 L420 T421 | K413-L417 WeakPolarHBondContact O-CG 3.27Å; K413-L417 PolarHBondContact O-N 3.47Å; E414-L417 PolarHBondContact O-N 2.91Å; E414-L417 VanDerWaalsContact O-N 3.13Å; L417-L420 PolarHBondContact O-N 3.39Å; L417-T421 WeakPolarHBondContact O-CB 3.33Å; L417-T421 PolarHBondContact O-N 3.16Å; L417-T421 PolarHBondContact O-OG1 3.05Å |
| 418 | I | 95.6 | Very high | 94.6 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 174.3 | -68.7 | 166.9 | 0 | 0 | 0 | 110.4 | E414 K415 L420 T421 S422 | E414-I418 HydrophobicContact CG-CD1 4.03Å; E414-I418 WeakPolarHBondContact O-CG1 3.48Å; E414-I418 PolarHBondContact O-N 3.47Å; K415-I418 PolarHBondContact O-N 2.92Å; I418-L420 VanDerWaalsContact C-N 3.34Å; I418-L420 PolarHBondContact O-N 3.48Å; I418-T421 PolarHBondContact O-N 3.27Å; I418-S422 PolarHBondContact O-N 2.81Å; I418-S422 PolarHBondContact O-OG 2.85Å |
| 419 | A | 93.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 97.1 Ų | 97.1 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K415 N416 S422 K423 | K415-A419 WeakPolarHBondContact O-CB 3.35Å; K415-A419 PolarHBondContact O-N 2.84Å; N416-A419 PolarHBondContact O-N 3.15Å; A419-S422 PolarHBondContact O-OG 3.16Å; A419-K423 WeakPolarHBondContact O-CB 3.49Å; A419-K423 PolarHBondContact O-N 3.46Å |
| 420 | L | 94.7 | Very high | 94.9 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 173.9 | -175.1 | 64.5 | 0 | 0 | 0 | 111.3 | N416 L417 I418 K423 N424 | N416-L420 WeakPolarHBondContact O-CB 3.42Å; N416-L420 PolarHBondContact O-N 3.25Å; L417-L420 PolarHBondContact O-N 3.39Å; I418-L420 VanDerWaalsContact C-N 3.34Å; I418-L420 PolarHBondContact O-N 3.48Å; L420-K423 PolarHBondContact O-N 3.26Å; L420-N424 WeakPolarHBondContact O-CB 3.49Å; L420-N424 PolarHBondContact O-N 3.09Å; L420-N424 PolarHBondContact O-OD1 3.34Å |
| 421 | T | 93.4 | Very high | 95 | Very high | 90 Ų | 90 | 100.8 Ų | 100.8 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.1 | L417 I418 N424 K425 | L417-T421 WeakPolarHBondContact O-CB 3.33Å; L417-T421 PolarHBondContact O-N 3.16Å; L417-T421 PolarHBondContact O-OG1 3.05Å; I418-T421 PolarHBondContact O-N 3.27Å; T421-N424 PolarHBondContact O-N 3.17Å; T421-K425 WeakPolarHBondContact O-CB 3.43Å; T421-K425 PolarHBondContact O-N 3.37Å |
| 422 | S | 94.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 100.7 Ų | 100.7 | 51% | 0.51 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 176.3 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | I418 A419 K425 F426 | I418-S422 PolarHBondContact O-N 2.81Å; I418-S422 PolarHBondContact O-OG 2.85Å; A419-S422 PolarHBondContact O-OG 3.16Å; S422-K425 PolarHBondContact O-N 3.5Å; S422-F426 PolarHBondContact O-N 3.06Å |
| 423 | K | 95.4 | Very high | 95.1 | Very high | 139 Ų | 139 | 99.2 Ų | 99.2 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.1 | -47.7 | 171.8 | -176.3 | -177.8 | 178 | -177.6 | 0 | 111.4 | A419 L420 K425 F426 T427 | A419-K423 WeakPolarHBondContact O-CB 3.49Å; A419-K423 PolarHBondContact O-N 3.46Å; L420-K423 PolarHBondContact O-N 3.26Å; K423-K425 VanDerWaalsContact C-N 3.34Å; K423-K425 PolarHBondContact O-N 2.95Å; K423-F426 WeakPolarHBondContact O-CB 3.32Å; K423-F426 PolarHBondContact O-N 2.98Å; K423-T427 PolarHBondContact O-N 3.04Å; K423-T427 PolarHBondContact O-OG1 3.26Å |
| 424 | N | 94.2 | Very high | 95.2 | Very high | 74 Ų | 74 | 97.2 Ų | 97.2 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.7 | -72.3 | -4.7 | 0 | 0 | 0 | 111.2 | L420 T421 F426 T427 I428 | L420-N424 WeakPolarHBondContact O-CB 3.49Å; L420-N424 PolarHBondContact O-N 3.09Å; L420-N424 PolarHBondContact O-OD1 3.34Å; T421-N424 PolarHBondContact O-N 3.17Å; N424-F426 VanDerWaalsContact C-N 3.32Å; N424-F426 PolarHBondContact O-N 3.26Å; N424-T427 VanDerWaalsContact CA-OG1 3.28Å; N424-T427 WeakPolarHBondContact CA-OG1 3.46Å; N424-T427 PolarHBondContact O-N 3.21Å; N424-T427 VanDerWaalsContact O-N 3.16Å; N424-T427 PolarHBondContact O-OG1 3.2Å; N424-I428 VanDerWaalsContact O-CG1 3.31Å; N424-I428 WeakPolarHBondContact O-CG1 3.38Å; N424-I428 PolarHBondContact O-N 2.87Å |
| 425 | K | 96.8 | Very high | 95.2 | Very high | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 175.3 | -171.3 | 176.1 | -178.5 | 178.2 | 0 | 111.8 | T421 S422 K423 I428 T429 | T421-K425 WeakPolarHBondContact O-CB 3.43Å; T421-K425 PolarHBondContact O-N 3.37Å; S422-K425 PolarHBondContact O-N 3.5Å; K423-K425 VanDerWaalsContact C-N 3.34Å; K423-K425 PolarHBondContact O-N 2.95Å; K425-I428 PolarHBondContact O-N 2.82Å; K425-T429 WeakPolarHBondContact O-CB 3.49Å; K425-T429 PolarHBondContact O-N 2.88Å; K425-T429 PolarHBondContact O-OG1 3.42Å |
| 426 | F | 95.5 | Very high | 95.2 | Very high | 146 Ų | 146 | 92.7 Ų | 92.7 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 174.1 | -177.7 | -97.4 | 0 | 0 | 0 | 111.7 | S422 K423 N424 I428 T429 N430 | S422-F426 PolarHBondContact O-N 3.06Å; K423-F426 WeakPolarHBondContact O-CB 3.32Å; K423-F426 PolarHBondContact O-N 2.98Å; N424-F426 VanDerWaalsContact C-N 3.32Å; N424-F426 PolarHBondContact O-N 3.26Å; F426-I428 PolarHBondContact O-N 3.13Å; F426-T429 PolarHBondContact O-N 2.97Å; F426-N430 PolarHBondContact O-N 2.99Å |
| 427 | T | 95.5 | Very high | 95.3 | Very high | 58 Ų | 58 | 94 Ų | 94 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.3 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | K423 N424 N430 L431 | K423-T427 PolarHBondContact O-N 3.04Å; K423-T427 PolarHBondContact O-OG1 3.26Å; N424-T427 VanDerWaalsContact CA-OG1 3.28Å; N424-T427 WeakPolarHBondContact CA-OG1 3.46Å; N424-T427 PolarHBondContact O-N 3.21Å; N424-T427 VanDerWaalsContact O-N 3.16Å; N424-T427 PolarHBondContact O-OG1 3.2Å; T427-N430 PolarHBondContact O-N 3.28Å; T427-L431 WeakPolarHBondContact O-CB 3.37Å; T427-L431 VanDerWaalsContact O-CG 3.3Å; T427-L431 WeakPolarHBondContact O-CG 3.49Å; T427-L431 PolarHBondContact O-N 3.38Å |
| 428 | I | 95.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 94.8 Ų | 94.8 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 176 | -70.2 | 166.1 | 0 | 0 | 0 | 110.2 | N424 K425 F426 N430 L431 L432 | N424-I428 VanDerWaalsContact O-CG1 3.31Å; N424-I428 WeakPolarHBondContact O-CG1 3.38Å; N424-I428 PolarHBondContact O-N 2.87Å; K425-I428 PolarHBondContact O-N 2.82Å; F426-I428 PolarHBondContact O-N 3.13Å; I428-N430 VanDerWaalsContact C-N 3.31Å; I428-N430 PolarHBondContact O-N 2.88Å; I428-L431 PolarHBondContact O-N 3.03Å; I428-L432 HydrophobicContact CG2-CD1 3.87Å; I428-L432 HydrophobicContact CG2-CG 4.31Å; I428-L432 WeakPolarHBondContact O-CB 3.42Å; I428-L432 WeakPolarHBondContact O-CG 3.5Å; I428-L432 PolarHBondContact O-N 3.22Å |
| 429 | T | 96.8 | Very high | 95.3 | Very high | 85 Ų | 85 | 94.7 Ų | 94.7 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 179.5 | -48 | 0 | 0 | 0 | 0 | 111.2 | K425 F426 L432 S433 | K425-T429 WeakPolarHBondContact O-CB 3.49Å; K425-T429 PolarHBondContact O-N 2.88Å; K425-T429 PolarHBondContact O-OG1 3.42Å; F426-T429 PolarHBondContact O-N 2.97Å; T429-L432 PolarHBondContact O-N 2.95Å; T429-S433 PolarHBondContact O-N 3.22Å |
| 430 | N | 95.7 | Very high | 95.4 | Very high | 71 Ų | 71 | 97 Ų | 97 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 174.5 | -173.9 | 12.3 | 0 | 0 | 0 | 111.5 | F426 T427 I428 L432 S433 Q434 | F426-N430 PolarHBondContact O-N 2.99Å; T427-N430 PolarHBondContact O-N 3.28Å; I428-N430 VanDerWaalsContact C-N 3.31Å; I428-N430 PolarHBondContact O-N 2.88Å; N430-L432 VanDerWaalsContact C-N 3.32Å; N430-L432 PolarHBondContact O-N 2.75Å; N430-S433 WeakPolarHBondContact O-CB 3.49Å; N430-S433 PolarHBondContact O-N 3.19Å; N430-S433 VanDerWaalsContact O-N 3.1Å; N430-S433 PolarHBondContact O-OG 2.83Å; N430-Q434 WeakPolarHBondContact O-CG 3.2Å; N430-Q434 PolarHBondContact O-N 3.01Å; N430-Q434 PolarHBondContact OD1-NE2 3.47Å |
| 431 | L | 95.5 | Very high | 95.5 | Very high | 106 Ų | 106 | 96 Ų | 96 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -40.8 | 176.8 | -71.1 | 172.8 | 0 | 0 | 0 | 112 | T427 I428 S433 Q434 L435 | T427-L431 WeakPolarHBondContact O-CB 3.37Å; T427-L431 VanDerWaalsContact O-CG 3.3Å; T427-L431 WeakPolarHBondContact O-CG 3.49Å; T427-L431 PolarHBondContact O-N 3.38Å; I428-L431 PolarHBondContact O-N 3.03Å; L431-S433 VanDerWaalsContact C-N 3.34Å; L431-S433 PolarHBondContact O-N 2.9Å; L431-Q434 PolarHBondContact O-N 2.96Å; L431-L435 WeakPolarHBondContact O-CB 3.47Å; L431-L435 PolarHBondContact O-N 3.11Å |
| 432 | L | 96.3 | Very high | 95.6 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 173.7 | -73.6 | 171 | 0 | 0 | 0 | 112 | I428 T429 N430 Q434 L435 T436 | I428-L432 HydrophobicContact CG2-CD1 3.87Å; I428-L432 HydrophobicContact CG2-CG 4.31Å; I428-L432 WeakPolarHBondContact O-CB 3.42Å; I428-L432 WeakPolarHBondContact O-CG 3.5Å; I428-L432 PolarHBondContact O-N 3.22Å; T429-L432 PolarHBondContact O-N 2.95Å; N430-L432 VanDerWaalsContact C-N 3.32Å; N430-L432 PolarHBondContact O-N 2.75Å; L432-Q434 VanDerWaalsContact C-N 3.28Å; L432-Q434 PolarHBondContact O-N 3.48Å; L432-L435 PolarHBondContact O-N 3.06Å; L432-T436 WeakPolarHBondContact O-CG2 3.49Å; L432-T436 PolarHBondContact O-N 3.3Å; L432-T436 PolarHBondContact O-OG1 3.43Å |
| 433 | S | 95.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 97.7 Ų | 97.7 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -31.3 | 174.7 | 82.7 | 0 | 0 | 0 | 0 | 112.8 | T429 N430 L431 T436 K437 | T429-S433 PolarHBondContact O-N 3.22Å; N430-S433 WeakPolarHBondContact O-CB 3.49Å; N430-S433 PolarHBondContact O-N 3.19Å; N430-S433 VanDerWaalsContact O-N 3.1Å; N430-S433 PolarHBondContact O-OG 2.83Å; L431-S433 VanDerWaalsContact C-N 3.34Å; L431-S433 PolarHBondContact O-N 2.9Å; S433-T436 WeakPolarHBondContact CA-OG1 3.37Å; S433-T436 PolarHBondContact O-OG1 3.08Å; S433-K437 VanDerWaalsContact O-CG 3.27Å; S433-K437 WeakPolarHBondContact O-CG 3.39Å; S433-K437 PolarHBondContact O-N 3.41Å |
| 434 | Q | 96.3 | Very high | 95.6 | Very high | 93 Ų | 93 | 99.7 Ų | 99.7 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.2 | -42.8 | 174.3 | -68.9 | 176.7 | 23.5 | 0 | 0 | 110.9 | N430 L431 L432 T436 K437 M438 | N430-Q434 WeakPolarHBondContact O-CG 3.2Å; N430-Q434 PolarHBondContact O-N 3.01Å; N430-Q434 PolarHBondContact OD1-NE2 3.47Å; L431-Q434 PolarHBondContact O-N 2.96Å; L432-Q434 VanDerWaalsContact C-N 3.28Å; L432-Q434 PolarHBondContact O-N 3.48Å; Q434-T436 PolarHBondContact O-N 3.01Å; Q434-K437 WeakPolarHBondContact O-CB 3.35Å; Q434-K437 PolarHBondContact O-N 3.27Å; Q434-M438 WeakPolarHBondContact O-CG 3.45Å; Q434-M438 PolarHBondContact O-N 2.96Å |
| 435 | L | 94.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 102.1 Ų | 102.1 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 177.5 | -174 | 145.4 | 0 | 0 | 0 | 111 | L431 L432 K437 M438 E439 | L431-L435 WeakPolarHBondContact O-CB 3.47Å; L431-L435 PolarHBondContact O-N 3.11Å; L432-L435 PolarHBondContact O-N 3.06Å; L435-K437 VanDerWaalsContact C-N 3.32Å; L435-K437 PolarHBondContact O-N 2.93Å; L435-M438 CarbonylContact O-C 3.6Å; L435-M438 WeakPolarHBondContact O-CB 3.48Å; L435-M438 PolarHBondContact O-N 2.72Å; L435-E439 HydrophobicContact CD2-CG 4.09Å; L435-E439 WeakPolarHBondContact CD2-OE1 3.42Å; L435-E439 WeakPolarHBondContact O-CG 3.38Å; L435-E439 PolarHBondContact O-N 2.93Å |
| 436 | T | 95.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 99.7 Ų | 99.7 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 175.3 | 48.5 | 0 | 0 | 0 | 0 | 113 | L432 S433 Q434 N440 | L432-T436 WeakPolarHBondContact O-CG2 3.49Å; L432-T436 PolarHBondContact O-N 3.3Å; L432-T436 PolarHBondContact O-OG1 3.43Å; S433-T436 WeakPolarHBondContact CA-OG1 3.37Å; S433-T436 PolarHBondContact O-OG1 3.08Å; Q434-T436 PolarHBondContact O-N 3.01Å; T436-N440 WeakPolarHBondContact O-CB 3.47Å; T436-N440 VanDerWaalsContact O-CG 3.25Å; T436-N440 PolarHBondContact O-N 3.42Å; T436-N440 PolarHBondContact O-ND2 3.04Å |
| 437 | K | 96.1 | Very high | 95.3 | Very high | 139 Ų | 139 | 98.3 Ų | 98.3 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 171.3 | -75.5 | 172.1 | -177.3 | 178.7 | 0 | 111.5 | S433 Q434 L435 N440 T441 | S433-K437 VanDerWaalsContact O-CG 3.27Å; S433-K437 WeakPolarHBondContact O-CG 3.39Å; S433-K437 PolarHBondContact O-N 3.41Å; Q434-K437 WeakPolarHBondContact O-CB 3.35Å; Q434-K437 PolarHBondContact O-N 3.27Å; L435-K437 VanDerWaalsContact C-N 3.32Å; L435-K437 PolarHBondContact O-N 2.93Å; K437-N440 PolarHBondContact O-N 3.45Å; K437-T441 WeakPolarHBondContact O-CG2 3.44Å; K437-T441 PolarHBondContact O-N 3.03Å; K437-T441 PolarHBondContact O-OG1 3.32Å |
| 438 | M | 95.2 | Very high | 95.3 | Very high | 128 Ų | 128 | 99.4 Ų | 99.4 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 178.1 | -67.2 | -59.5 | -65.6 | 0 | 0 | 111.9 | Q434 L435 N440 T441 L442 | Q434-M438 WeakPolarHBondContact O-CG 3.45Å; Q434-M438 PolarHBondContact O-N 2.96Å; L435-M438 CarbonylContact O-C 3.6Å; L435-M438 WeakPolarHBondContact O-CB 3.48Å; L435-M438 PolarHBondContact O-N 2.72Å; M438-N440 PolarHBondContact O-N 3.37Å; M438-T441 WeakPolarHBondContact CA-OG1 3.38Å; M438-T441 PolarHBondContact O-N 2.86Å; M438-T441 PolarHBondContact O-OG1 3.2Å; M438-L442 WeakPolarHBondContact O-CB 3.39Å; M438-L442 PolarHBondContact O-N 3.24Å |
| 439 | E | 96.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 174.3 | -73.4 | 175 | 155 | 0 | 0 | 111.7 | L435 T441 L442 I443 | L435-E439 HydrophobicContact CD2-CG 4.09Å; L435-E439 WeakPolarHBondContact CD2-OE1 3.42Å; L435-E439 WeakPolarHBondContact O-CG 3.38Å; L435-E439 PolarHBondContact O-N 2.93Å; E439-T441 VanDerWaalsContact C-N 3.33Å; E439-T441 PolarHBondContact O-N 2.88Å; E439-L442 WeakPolarHBondContact O-CB 3.45Å; E439-L442 PolarHBondContact O-N 3.25Å; E439-I443 WeakPolarHBondContact O-CG1 3.28Å; E439-I443 PolarHBondContact O-N 3.38Å |
| 440 | N | 95.6 | Very high | 95.2 | Very high | 106 Ų | 106 | 96.6 Ų | 96.6 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -39 | 176 | -74.6 | -36 | 0 | 0 | 0 | 112.2 | T436 K437 M438 R444 | T436-N440 WeakPolarHBondContact O-CB 3.47Å; T436-N440 VanDerWaalsContact O-CG 3.25Å; T436-N440 PolarHBondContact O-N 3.42Å; T436-N440 PolarHBondContact O-ND2 3.04Å; K437-N440 PolarHBondContact O-N 3.45Å; M438-N440 PolarHBondContact O-N 3.37Å; N440-R444 WeakPolarHBondContact O-CB 3.48Å; N440-R444 PolarHBondContact O-N 3.14Å |
| 441 | T | 95.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 98.5 Ų | 98.5 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 174.2 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | K437 M438 E439 R444 Q445 | K437-T441 WeakPolarHBondContact O-CG2 3.44Å; K437-T441 PolarHBondContact O-N 3.03Å; K437-T441 PolarHBondContact O-OG1 3.32Å; M438-T441 WeakPolarHBondContact CA-OG1 3.38Å; M438-T441 PolarHBondContact O-N 2.86Å; M438-T441 PolarHBondContact O-OG1 3.2Å; E439-T441 VanDerWaalsContact C-N 3.33Å; E439-T441 PolarHBondContact O-N 2.88Å; T441-R444 PolarHBondContact O-N 3.3Å; T441-Q445 WeakPolarHBondContact O-CB 3.49Å; T441-Q445 WeakPolarHBondContact O-CG 3.45Å; T441-Q445 PolarHBondContact O-N 2.97Å |
| 442 | L | 95.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -46 | 177.2 | -178.4 | 66.5 | 0 | 0 | 0 | 111.1 | M438 E439 R444 Q445 Q446 | M438-L442 WeakPolarHBondContact O-CB 3.39Å; M438-L442 PolarHBondContact O-N 3.24Å; E439-L442 WeakPolarHBondContact O-CB 3.45Å; E439-L442 PolarHBondContact O-N 3.25Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 2.94Å; L442-Q445 PolarHBondContact O-N 3.32Å; L442-Q446 PolarHBondContact O-N 3.11Å |
| 443 | I | 94.7 | Very high | 94.9 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 175.6 | -69.2 | 166.9 | 0 | 0 | 0 | 110.4 | E439 Q446 M447 | E439-I443 WeakPolarHBondContact O-CG1 3.28Å; E439-I443 PolarHBondContact O-N 3.38Å; I443-Q446 PolarHBondContact O-N 3.27Å; I443-M447 HydrophobicContact CG2-CE 3.75Å; I443-M447 WeakPolarHBondContact O-CG 3.35Å; I443-M447 PolarHBondContact O-N 3.1Å |
| 444 | R | 95.6 | Very high | 94.9 | Very high | 181 Ų | 181 | 98.5 Ų | 98.5 | 68% | 0.683 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 176.7 | -176.1 | 175.9 | 177.9 | 153.8 | -0.2 | 112 | N440 T441 L442 M447 I448 | N440-R444 WeakPolarHBondContact O-CB 3.48Å; N440-R444 PolarHBondContact O-N 3.14Å; T441-R444 PolarHBondContact O-N 3.3Å; L442-R444 VanDerWaalsContact C-N 3.3Å; L442-R444 PolarHBondContact O-N 2.94Å; R444-M447 PolarHBondContact O-N 3.43Å; R444-I448 HydrophobicContact CG-CD1 4.23Å; R444-I448 WeakPolarHBondContact O-CG1 3.3Å; R444-I448 PolarHBondContact O-N 3.3Å |
| 445 | Q | 94.2 | Very high | 94.8 | Very high | 125 Ų | 125 | 100.8 Ų | 100.8 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 175.5 | -76 | 176.5 | -9.6 | 0 | 0 | 111.4 | T441 L442 M447 I448 S449 | T441-Q445 WeakPolarHBondContact O-CB 3.49Å; T441-Q445 WeakPolarHBondContact O-CG 3.45Å; T441-Q445 PolarHBondContact O-N 2.97Å; L442-Q445 PolarHBondContact O-N 3.32Å; Q445-M447 VanDerWaalsContact C-N 3.35Å; Q445-M447 PolarHBondContact O-N 3.15Å; Q445-I448 PolarHBondContact O-N 3.44Å; Q445-I448 VanDerWaalsContact O-N 3.15Å; Q445-S449 PolarHBondContact O-N 3.24Å |
| 446 | Q | 93.6 | Very high | 94.8 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.7 | -169.9 | 65.3 | 42.7 | 0 | 0 | 111.7 | L442 I443 I448 S449 N450 | L442-Q446 PolarHBondContact O-N 3.11Å; I443-Q446 PolarHBondContact O-N 3.27Å; Q446-I448 VanDerWaalsContact C-N 3.32Å; Q446-I448 PolarHBondContact O-N 2.9Å; Q446-S449 PolarHBondContact O-N 3.4Å; Q446-N450 PolarHBondContact NE2-OD1 2.99Å; Q446-N450 WeakPolarHBondContact O-CB 3.38Å; Q446-N450 PolarHBondContact O-N 2.65Å; Q446-N450 PolarHBondContact O-OD1 3.17Å |
| 447 | M | 93.2 | Very high | 94.7 | Very high | 117 Ų | 117 | 102.3 Ų | 102.3 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 175 | -70.7 | 178.5 | -176.8 | 0 | 0 | 112.2 | I443 R444 Q445 N451 | I443-M447 HydrophobicContact CG2-CE 3.75Å; I443-M447 WeakPolarHBondContact O-CG 3.35Å; I443-M447 PolarHBondContact O-N 3.1Å; R444-M447 PolarHBondContact O-N 3.43Å; Q445-M447 VanDerWaalsContact C-N 3.35Å; Q445-M447 PolarHBondContact O-N 3.15Å; M447-N451 WeakPolarHBondContact O-CB 3.42Å; M447-N451 PolarHBondContact O-N 3.38Å; M447-N451 PolarHBondContact O-ND2 3.02Å |
| 448 | I | 94.8 | Very high | 94.5 | Very high | 81 Ų | 81 | 102.1 Ų | 102.1 | 42% | 0.415 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 175.9 | -66.3 | 165.1 | 0 | 0 | 0 | 110.3 | R444 Q445 Q446 N451 Q452 | R444-I448 HydrophobicContact CG-CD1 4.23Å; R444-I448 WeakPolarHBondContact O-CG1 3.3Å; R444-I448 PolarHBondContact O-N 3.3Å; Q445-I448 PolarHBondContact O-N 3.44Å; Q445-I448 VanDerWaalsContact O-N 3.15Å; Q446-I448 VanDerWaalsContact C-N 3.32Å; Q446-I448 PolarHBondContact O-N 2.9Å; I448-N451 PolarHBondContact O-N 3.4Å; I448-Q452 HydrophobicContact CG2-CG 4.39Å; I448-Q452 WeakPolarHBondContact O-CG 3.41Å; I448-Q452 PolarHBondContact O-N 2.84Å |
| 449 | S | 93.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 101.2 Ų | 101.2 | 30% | 0.301 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.7 | -51.8 | 176.3 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | Q445 Q446 N451 Q452 E453 | Q445-S449 PolarHBondContact O-N 3.24Å; Q446-S449 PolarHBondContact O-N 3.4Å; S449-N451 VanDerWaalsContact C-N 3.28Å; S449-N451 PolarHBondContact O-N 3.37Å; S449-Q452 CarbonylContact O-C 3.59Å; S449-Q452 WeakPolarHBondContact O-CA 3.45Å; S449-Q452 WeakPolarHBondContact O-CB 3.36Å; S449-Q452 PolarHBondContact O-N 2.99Å; S449-E453 WeakPolarHBondContact O-CB 3.33Å; S449-E453 WeakPolarHBondContact O-CG 3.44Å; S449-E453 PolarHBondContact O-N 2.88Å; S449-E453 PolarHBondContact OG-OE1 3.38Å |
| 450 | N | 95.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 101.9 Ų | 101.9 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 179.4 | -66.8 | 2.9 | 0 | 0 | 0 | 111.8 | Q446 E453 A454 | Q446-N450 PolarHBondContact NE2-OD1 2.99Å; Q446-N450 WeakPolarHBondContact O-CB 3.38Å; Q446-N450 PolarHBondContact O-N 2.65Å; Q446-N450 PolarHBondContact O-OD1 3.17Å; N450-E453 PolarHBondContact O-N 3.34Å; N450-A454 WeakPolarHBondContact O-CB 3.26Å; N450-A454 PolarHBondContact O-N 2.94Å |
| 451 | N | 95.3 | Very high | 93.3 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67 | -38.2 | 175.2 | -80 | -19.1 | 0 | 0 | 0 | 112.5 | M447 I448 S449 K455 | M447-N451 WeakPolarHBondContact O-CB 3.42Å; M447-N451 PolarHBondContact O-N 3.38Å; M447-N451 PolarHBondContact O-ND2 3.02Å; I448-N451 PolarHBondContact O-N 3.4Å; S449-N451 VanDerWaalsContact C-N 3.28Å; S449-N451 PolarHBondContact O-N 3.37Å; N451-K455 WeakPolarHBondContact O-CG 3.35Å; N451-K455 PolarHBondContact O-N 2.88Å |
| 452 | Q | 93.9 | Very high | 92.9 | Very high | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 175 | -74 | 177.6 | -21.3 | 0 | 0 | 111.2 | I448 S449 A454 K455 I456 | I448-Q452 HydrophobicContact CG2-CG 4.39Å; I448-Q452 WeakPolarHBondContact O-CG 3.41Å; I448-Q452 PolarHBondContact O-N 2.84Å; S449-Q452 CarbonylContact O-C 3.59Å; S449-Q452 WeakPolarHBondContact O-CA 3.45Å; S449-Q452 WeakPolarHBondContact O-CB 3.36Å; S449-Q452 PolarHBondContact O-N 2.99Å; Q452-A454 VanDerWaalsContact C-N 3.33Å; Q452-A454 PolarHBondContact O-N 3.3Å; Q452-K455 CarbonylContact O-C 3.57Å; Q452-K455 WeakPolarHBondContact O-CB 3.49Å; Q452-K455 PolarHBondContact O-N 3.41Å; Q452-K455 VanDerWaalsContact O-N 3.11Å; Q452-I456 VanDerWaalsContact O-CG1 3.31Å; Q452-I456 WeakPolarHBondContact O-CG1 3.33Å; Q452-I456 PolarHBondContact O-N 2.82Å |
| 453 | E | 93.6 | Very high | 92.4 | Very high | 96 Ų | 96 | 107.4 Ų | 107.4 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 174.1 | -74.9 | 166.9 | -148.2 | 0 | 0 | 111.6 | S449 N450 K455 I456 L457 | S449-E453 WeakPolarHBondContact O-CB 3.33Å; S449-E453 WeakPolarHBondContact O-CG 3.44Å; S449-E453 PolarHBondContact O-N 2.88Å; S449-E453 PolarHBondContact OG-OE1 3.38Å; N450-E453 PolarHBondContact O-N 3.34Å; E453-K455 VanDerWaalsContact C-N 3.33Å; E453-K455 PolarHBondContact O-N 2.99Å; E453-I456 PolarHBondContact O-N 2.89Å; E453-L457 WeakPolarHBondContact O-CB 3.41Å; E453-L457 WeakPolarHBondContact O-CG 3.4Å; E453-L457 PolarHBondContact O-N 2.98Å |
| 454 | A | 93.8 | Very high | 91.7 | Very high | 43 Ų | 43 | 104.5 Ų | 104.5 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | N450 Q452 L457 M458 | N450-A454 WeakPolarHBondContact O-CB 3.26Å; N450-A454 PolarHBondContact O-N 2.94Å; Q452-A454 VanDerWaalsContact C-N 3.33Å; Q452-A454 PolarHBondContact O-N 3.3Å; A454-L457 PolarHBondContact O-N 3.23Å; A454-M458 WeakPolarHBondContact O-CG 3.48Å; A454-M458 PolarHBondContact O-N 3.46Å |
| 455 | K | 95.3 | Very high | 90.9 | Very high | 141 Ų | 141 | 101.5 Ų | 101.5 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -43.1 | 174.5 | -73.8 | 177.8 | -178.8 | -179.3 | 0 | 111.9 | N451 Q452 E453 L457 M458 L459 | N451-K455 WeakPolarHBondContact O-CG 3.35Å; N451-K455 PolarHBondContact O-N 2.88Å; Q452-K455 CarbonylContact O-C 3.57Å; Q452-K455 WeakPolarHBondContact O-CB 3.49Å; Q452-K455 PolarHBondContact O-N 3.41Å; Q452-K455 VanDerWaalsContact O-N 3.11Å; E453-K455 VanDerWaalsContact C-N 3.33Å; E453-K455 PolarHBondContact O-N 2.99Å; K455-L457 VanDerWaalsContact C-N 3.32Å; K455-L457 PolarHBondContact O-N 2.91Å; K455-M458 PolarHBondContact O-N 2.92Å; K455-L459 WeakPolarHBondContact O-CB 3.45Å; K455-L459 WeakPolarHBondContact O-CG 3.38Å; K455-L459 PolarHBondContact O-N 3.49Å |
| 456 | I | 93.3 | Very high | 90.1 | Very high | 86 Ų | 86 | 102.3 Ų | 102.3 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 176.4 | -71 | 166.5 | 0 | 0 | 0 | 109.5 | Q452 E453 M458 L459 Q460 | Q452-I456 VanDerWaalsContact O-CG1 3.31Å; Q452-I456 WeakPolarHBondContact O-CG1 3.33Å; Q452-I456 PolarHBondContact O-N 2.82Å; E453-I456 PolarHBondContact O-N 2.89Å; I456-M458 VanDerWaalsContact C-N 3.35Å; I456-M458 PolarHBondContact O-N 3.38Å; I456-L459 CarbonylContact O-C 3.57Å; I456-L459 PolarHBondContact O-N 3.21Å; I456-Q460 HydrophobicContact CG2-CG 4.09Å; I456-Q460 VanDerWaalsContact O-CB 3.3Å; I456-Q460 WeakPolarHBondContact O-CB 3.48Å; I456-Q460 VanDerWaalsContact O-CG 3.25Å; I456-Q460 WeakPolarHBondContact O-CG 3.35Å; I456-Q460 PolarHBondContact O-N 3.26Å |
| 457 | L | 93.6 | Very high | 88.9 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.3 | -75.9 | 168.7 | 0 | 0 | 0 | 112.4 | E453 A454 K455 R461 | E453-L457 WeakPolarHBondContact O-CB 3.41Å; E453-L457 WeakPolarHBondContact O-CG 3.4Å; E453-L457 PolarHBondContact O-N 2.98Å; A454-L457 PolarHBondContact O-N 3.23Å; K455-L457 VanDerWaalsContact C-N 3.32Å; K455-L457 PolarHBondContact O-N 2.91Å; L457-R461 WeakPolarHBondContact O-CB 3.46Å; L457-R461 WeakPolarHBondContact O-CG 3.28Å; L457-R461 PolarHBondContact O-N 2.94Å |
| 458 | M | 91.6 | Very high | 87.7 | Confident | 136 Ų | 136 | 97.8 Ų | 97.8 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 174.6 | -71.6 | -176.5 | -175.3 | 0 | 0 | 111.9 | A454 K455 I456 R461 K462 | A454-M458 WeakPolarHBondContact O-CG 3.48Å; A454-M458 PolarHBondContact O-N 3.46Å; K455-M458 PolarHBondContact O-N 2.92Å; I456-M458 VanDerWaalsContact C-N 3.35Å; I456-M458 PolarHBondContact O-N 3.38Å; M458-R461 PolarHBondContact O-N 3.22Å; M458-K462 WeakPolarHBondContact O-CB 3.41Å; M458-K462 PolarHBondContact O-N 3.32Å |
| 459 | L | 90.3 | Very high | 86.1 | Confident | 108 Ų | 108 | 97.1 Ų | 97.1 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 177.3 | -71.2 | 173.9 | 0 | 0 | 0 | 111.3 | K455 I456 R461 K462 V463 | K455-L459 WeakPolarHBondContact O-CB 3.45Å; K455-L459 WeakPolarHBondContact O-CG 3.38Å; K455-L459 PolarHBondContact O-N 3.49Å; I456-L459 CarbonylContact O-C 3.57Å; I456-L459 PolarHBondContact O-N 3.21Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.38Å; L459-K462 CarbonylContact O-C 3.59Å; L459-K462 PolarHBondContact O-N 3.03Å; L459-K462 VanDerWaalsContact O-N 3.15Å; L459-V463 WeakPolarHBondContact O-CB 3.46Å; L459-V463 VanDerWaalsContact O-CG2 3.28Å; L459-V463 WeakPolarHBondContact O-CG2 3.5Å; L459-V463 PolarHBondContact O-N 3.19Å |
| 460 | Q | 88.3 | Confident | 84.2 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.2 | -77.4 | 175.1 | -15.9 | 0 | 0 | 111.3 | I456 V463 A464 | I456-Q460 HydrophobicContact CG2-CG 4.09Å; I456-Q460 VanDerWaalsContact O-CB 3.3Å; I456-Q460 WeakPolarHBondContact O-CB 3.48Å; I456-Q460 VanDerWaalsContact O-CG 3.25Å; I456-Q460 WeakPolarHBondContact O-CG 3.35Å; I456-Q460 PolarHBondContact O-N 3.26Å; Q460-V463 PolarHBondContact O-N 3.04Å; Q460-A464 VanDerWaalsContact O-CB 3.29Å; Q460-A464 WeakPolarHBondContact O-CB 3.46Å; Q460-A464 PolarHBondContact O-N 2.99Å |
| 461 | R | 85 | Confident | 82.4 | Confident | 174 Ų | 174 | 102.5 Ų | 102.5 | 66% | 0.657 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 172.3 | -77.8 | 179.9 | -175.2 | 172.7 | 2.2 | 111.7 | L457 M458 L459 A464 Q465 | L457-R461 WeakPolarHBondContact O-CB 3.46Å; L457-R461 WeakPolarHBondContact O-CG 3.28Å; L457-R461 PolarHBondContact O-N 2.94Å; M458-R461 PolarHBondContact O-N 3.22Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.38Å; R461-A464 PolarHBondContact O-N 3.41Å; R461-Q465 VanDerWaalsContact O-CG 3.29Å; R461-Q465 WeakPolarHBondContact O-CG 3.47Å; R461-Q465 PolarHBondContact O-N 2.87Å |
| 462 | K | 87.1 | Confident | 80.8 | Confident | 127 Ų | 127 | 100.8 Ų | 100.8 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -39.8 | 178.5 | -169 | 171.4 | -177.3 | 178.9 | 0 | 111.8 | M458 L459 Q465 L466 | M458-K462 WeakPolarHBondContact O-CB 3.41Å; M458-K462 PolarHBondContact O-N 3.32Å; L459-K462 CarbonylContact O-C 3.59Å; L459-K462 PolarHBondContact O-N 3.03Å; L459-K462 VanDerWaalsContact O-N 3.15Å; K462-Q465 WeakPolarHBondContact O-CB 2.94Å; K462-Q465 PolarHBondContact O-N 3.46Å; K462-L466 HydrophobicContact CG-CD1 4.24Å; K462-L466 WeakPolarHBondContact O-CB 3.4Å; K462-L466 VanDerWaalsContact O-CG 3.27Å; K462-L466 WeakPolarHBondContact O-CG 3.47Å; K462-L466 PolarHBondContact O-N 3.27Å |
| 463 | V | 84.3 | Confident | 79.2 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 109.9 | L459 Q460 Q465 L466 S467 | L459-V463 WeakPolarHBondContact O-CB 3.46Å; L459-V463 VanDerWaalsContact O-CG2 3.28Å; L459-V463 WeakPolarHBondContact O-CG2 3.5Å; L459-V463 PolarHBondContact O-N 3.19Å; Q460-V463 PolarHBondContact O-N 3.04Å; V463-Q465 VanDerWaalsContact C-N 3.28Å; V463-Q465 PolarHBondContact O-N 2.83Å; V463-L466 CarbonylContact O-C 3.58Å; V463-L466 PolarHBondContact O-N 3.15Å; V463-L466 VanDerWaalsContact O-N 3.15Å; V463-S467 VanDerWaalsContact O-CB 3.23Å; V463-S467 WeakPolarHBondContact O-CB 3.28Å; V463-S467 PolarHBondContact O-N 2.96Å; V463-S467 PolarHBondContact O-OG 3.33Å; V463-S467 VanDerWaalsContact O-OG 3.09Å |
| 464 | A | 80.3 | Confident | 77.6 | Confident | 31 Ų | 31 | 101.5 Ų | 101.5 | 26% | 0.256 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q460 R461 S467 G468 A469 | Q460-A464 VanDerWaalsContact O-CB 3.29Å; Q460-A464 WeakPolarHBondContact O-CB 3.46Å; Q460-A464 PolarHBondContact O-N 2.99Å; R461-A464 PolarHBondContact O-N 3.41Å; A464-S467 WeakPolarHBondContact CA-OG 3.37Å; A464-S467 PolarHBondContact O-OG 3.38Å; A464-G468 PolarHBondContact O-N 3.45Å; A464-A469 HydrophobicContact CB-CB 4.42Å; A464-A469 WeakPolarHBondContact O-CB 3.38Å; A464-A469 PolarHBondContact O-N 2.89Å |
| 465 | Q | 77.8 | Confident | 76.3 | Confident | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.7 | -48.5 | 172.2 | -73.6 | 173.9 | -14 | 0 | 0 | 111.6 | R461 K462 V463 S467 G468 L470 | R461-Q465 VanDerWaalsContact O-CG 3.29Å; R461-Q465 WeakPolarHBondContact O-CG 3.47Å; R461-Q465 PolarHBondContact O-N 2.87Å; K462-Q465 WeakPolarHBondContact O-CB 2.94Å; K462-Q465 PolarHBondContact O-N 3.46Å; V463-Q465 VanDerWaalsContact C-N 3.28Å; V463-Q465 PolarHBondContact O-N 2.83Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 3.41Å; Q465-G468 PolarHBondContact O-N 3.05Å; Q465-L470 HydrophobicContact CB-CD1 4.47Å; Q465-L470 HydrophobicContact CG-CB 4.31Å; Q465-L470 HydrophobicContact CG-CD1 3.37Å; Q465-L470 HydrophobicContact CG-CG 4.47Å |
| 466 | L | 77.3 | Confident | 75.2 | Confident | 141 Ų | 141 | 101.5 Ų | 101.5 | 74% | 0.738 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -31 | 179.7 | -70.3 | 171.7 | 0 | 0 | 0 | 112.7 | K462 V463 G468 | K462-L466 HydrophobicContact CG-CD1 4.24Å; K462-L466 WeakPolarHBondContact O-CB 3.4Å; K462-L466 VanDerWaalsContact O-CG 3.27Å; K462-L466 WeakPolarHBondContact O-CG 3.47Å; K462-L466 PolarHBondContact O-N 3.27Å; V463-L466 CarbonylContact O-C 3.58Å; V463-L466 PolarHBondContact O-N 3.15Å; V463-L466 VanDerWaalsContact O-N 3.15Å; L466-G468 PolarHBondContact O-N 3.45Å |
| 467 | S | 70 | Confident | 74.3 | Confident | 84 Ų | 84 | 104 Ų | 104 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 6.6 | 175.8 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | V463 A464 Q465 A469 | V463-S467 VanDerWaalsContact O-CB 3.23Å; V463-S467 WeakPolarHBondContact O-CB 3.28Å; V463-S467 PolarHBondContact O-N 2.96Å; V463-S467 PolarHBondContact O-OG 3.33Å; V463-S467 VanDerWaalsContact O-OG 3.09Å; A464-S467 WeakPolarHBondContact CA-OG 3.37Å; A464-S467 PolarHBondContact O-OG 3.38Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 3.41Å; S467-A469 VanDerWaalsContact C-N 3.32Å; S467-A469 PolarHBondContact O-N 3.06Å |
| 468 | G | 67.9 | Low | 73.5 | Confident | 39 Ų | 39 | 104 Ų | 104 | 40% | 0.402 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 2.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | A464 Q465 L466 L470 R471 | A464-G468 PolarHBondContact O-N 3.45Å; Q465-G468 PolarHBondContact O-N 3.05Å; L466-G468 PolarHBondContact O-N 3.45Å; G468-L470 PolarHBondContact O-N 3.37Å; G468-L470 VanDerWaalsContact O-N 3.16Å; G468-R471 PolarHBondContact O-N 2.99Å |
| 469 | A | 61 | Low | 72.9 | Confident | 67 Ų | 67 | 103.3 Ų | 103.3 | 55% | 0.554 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | A464 S467 | A464-A469 HydrophobicContact CB-CB 4.42Å; A464-A469 WeakPolarHBondContact O-CB 3.38Å; A464-A469 PolarHBondContact O-N 2.89Å; S467-A469 VanDerWaalsContact C-N 3.32Å; S467-A469 PolarHBondContact O-N 3.06Å |
| 470 | L | 54.3 | Low | 72.5 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 5 | 177.7 | -84.1 | 156.9 | 0 | 0 | 0 | 114.1 | Q465 G468 T472 | Q465-L470 HydrophobicContact CB-CD1 4.47Å; Q465-L470 HydrophobicContact CG-CB 4.31Å; Q465-L470 HydrophobicContact CG-CD1 3.37Å; Q465-L470 HydrophobicContact CG-CG 4.47Å; G468-L470 PolarHBondContact O-N 3.37Å; G468-L470 VanDerWaalsContact O-N 3.16Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 3.46Å |
| 471 | R | 56.8 | Low | 72.4 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 48% | 0.475 | 54% | 0.535 | S | S | . | . | trans | -93.1 | 50.6 | 171.2 | -66.5 | -174.6 | 76.2 | -144.2 | 4.3 | 110.5 | G468 E474 S475 | G468-R471 PolarHBondContact O-N 2.99Å; R471-E474 IonicContact CZ-OE2 3.88Å; R471-E474 IonicContact NE-OE2 3.74Å; R471-E474 PolarHBondContact NE-OE2 2.95Å; R471-E474 IonicContact NH2-OE2 3.57Å; R471-E474 PolarHBondContact NH2-OE2 3.39Å; R471-S475 WeakPolarHBondContact O-CB 3.46Å; R471-S475 PolarHBondContact O-N 2.85Å | ||
| 472 | T | 61.2 | Low | 72.3 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 175.5 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | L470 E474 S475 E476 | L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 3.46Å; T472-E474 PolarHBondContact O-N 3.43Å; T472-S475 PolarHBondContact O-N 3.47Å; T472-E476 VanDerWaalsContact O-CB 3.27Å; T472-E476 WeakPolarHBondContact O-CB 3.35Å; T472-E476 VanDerWaalsContact O-CG 3.23Å; T472-E476 WeakPolarHBondContact O-CG 3.47Å; T472-E476 PolarHBondContact O-N 3.3Å |
| 473 | D | 61.1 | Low | 72.3 | Confident | 115 Ų | 115 | 95.9 Ų | 95.9 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.8 | -40.9 | -173.5 | -57.5 | 6.7 | 0 | 0 | 0 | 112.1 | M477 | D473-M477 VanDerWaalsContact O-CB 3.3Å; D473-M477 WeakPolarHBondContact O-CB 3.4Å; D473-M477 WeakPolarHBondContact O-CG 2.99Å; D473-M477 PolarHBondContact O-N 3.08Å |
| 474 | E | 60.6 | Low | 72.4 | Confident | 109 Ų | 109 | 95.9 Ų | 95.9 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.9 | -31 | 177.6 | -67.3 | -176 | 143.7 | 0 | 0 | 112.2 | R471 T472 L478 | R471-E474 IonicContact CZ-OE2 3.88Å; R471-E474 IonicContact NE-OE2 3.74Å; R471-E474 PolarHBondContact NE-OE2 2.95Å; R471-E474 IonicContact NH2-OE2 3.57Å; R471-E474 PolarHBondContact NH2-OE2 3.39Å; T472-E474 PolarHBondContact O-N 3.43Å; E474-L478 WeakPolarHBondContact O-CB 3.44Å; E474-L478 WeakPolarHBondContact O-CD1 3.48Å; E474-L478 WeakPolarHBondContact O-CG 3.4Å; E474-L478 PolarHBondContact O-N 2.89Å |
| 475 | S | 65.1 | Low | 72.8 | Confident | 67 Ų | 67 | 99.3 Ų | 99.3 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -44.9 | 173.2 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | R471 T472 L478 E479 | R471-S475 WeakPolarHBondContact O-CB 3.46Å; R471-S475 PolarHBondContact O-N 2.85Å; T472-S475 PolarHBondContact O-N 3.47Å; S475-L478 PolarHBondContact O-N 3.25Å; S475-E479 VanDerWaalsContact O-CB 3.3Å; S475-E479 WeakPolarHBondContact O-CB 3.42Å; S475-E479 PolarHBondContact O-N 2.77Å |
| 476 | E | 72.3 | Confident | 73.1 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 176.4 | -75.7 | 174.3 | -170.3 | 0 | 0 | 111.3 | T472 L478 E479 V480 | T472-E476 VanDerWaalsContact O-CB 3.27Å; T472-E476 WeakPolarHBondContact O-CB 3.35Å; T472-E476 VanDerWaalsContact O-CG 3.23Å; T472-E476 WeakPolarHBondContact O-CG 3.47Å; T472-E476 PolarHBondContact O-N 3.3Å; E476-L478 PolarHBondContact O-N 3.28Å; E476-E479 PolarHBondContact O-N 3.34Å; E476-V480 VanDerWaalsContact O-CG2 3.3Å; E476-V480 WeakPolarHBondContact O-CG2 3.44Å; E476-V480 PolarHBondContact O-N 2.87Å |
| 477 | M | 74.9 | Confident | 73.7 | Confident | 137 Ų | 137 | 93 Ų | 93 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 175.7 | -75.4 | -71.4 | -70.2 | 0 | 0 | 112.7 | D473 K481 | D473-M477 VanDerWaalsContact O-CB 3.3Å; D473-M477 WeakPolarHBondContact O-CB 3.4Å; D473-M477 WeakPolarHBondContact O-CG 2.99Å; D473-M477 PolarHBondContact O-N 3.08Å; M477-K481 WeakPolarHBondContact O-CB 3.45Å; M477-K481 PolarHBondContact O-N 3.47Å |
| 478 | L | 76.2 | Confident | 74.6 | Confident | 99 Ų | 99 | 92.6 Ų | 92.6 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 175.3 | -73.6 | 170.1 | 0 | 0 | 0 | 111.5 | E474 S475 E476 K481 V482 | E474-L478 WeakPolarHBondContact O-CB 3.44Å; E474-L478 WeakPolarHBondContact O-CD1 3.48Å; E474-L478 WeakPolarHBondContact O-CG 3.4Å; E474-L478 PolarHBondContact O-N 2.89Å; S475-L478 PolarHBondContact O-N 3.25Å; E476-L478 PolarHBondContact O-N 3.28Å; L478-K481 PolarHBondContact O-N 2.87Å; L478-V482 WeakPolarHBondContact O-CB 3.45Å; L478-V482 VanDerWaalsContact O-CG2 3.25Å; L478-V482 WeakPolarHBondContact O-CG2 3.29Å; L478-V482 PolarHBondContact O-N 3.05Å |
| 479 | E | 78.6 | Confident | 75.5 | Confident | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -41.9 | 177 | -168.3 | 165.2 | -166.2 | 0 | 0 | 111.6 | S475 E476 K481 V482 N483 | S475-E479 VanDerWaalsContact O-CB 3.3Å; S475-E479 WeakPolarHBondContact O-CB 3.42Å; S475-E479 PolarHBondContact O-N 2.77Å; E476-E479 PolarHBondContact O-N 3.34Å; E479-K481 VanDerWaalsContact C-N 3.33Å; E479-K481 PolarHBondContact O-N 3.02Å; E479-V482 PolarHBondContact O-N 3.06Å; E479-N483 WeakPolarHBondContact O-CB 3.43Å; E479-N483 PolarHBondContact O-N 2.84Å; E479-N483 PolarHBondContact O-ND2 3.23Å |
| 480 | V | 83.4 | Confident | 76.8 | Confident | 92 Ų | 92 | 96.9 Ų | 96.9 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 170.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | E476 N483 E484 | E476-V480 VanDerWaalsContact O-CG2 3.3Å; E476-V480 WeakPolarHBondContact O-CG2 3.44Å; E476-V480 PolarHBondContact O-N 2.87Å; V480-N483 PolarHBondContact O-N 2.92Å; V480-E484 WeakPolarHBondContact O-CB 3.38Å; V480-E484 PolarHBondContact O-N 3.48Å |
| 481 | K | 85.9 | Confident | 78.4 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 179.4 | -159.4 | 74 | -162.4 | 161 | 0 | 112.7 | M477 L478 E479 E484 L485 | M477-K481 WeakPolarHBondContact O-CB 3.45Å; M477-K481 PolarHBondContact O-N 3.47Å; L478-K481 PolarHBondContact O-N 2.87Å; E479-K481 VanDerWaalsContact C-N 3.33Å; E479-K481 PolarHBondContact O-N 3.02Å; K481-E484 IonicContact NZ-OE1 3.04Å; K481-E484 IonicContact NZ-OE2 3.03Å; K481-E484 PolarHBondContact NZ-OE2 3.29Å; K481-E484 PolarHBondContact O-N 3.03Å; K481-L485 HydrophobicContact CG-CD1 4.36Å; K481-L485 WeakPolarHBondContact O-CB 3.49Å; K481-L485 VanDerWaalsContact O-CG 3.27Å; K481-L485 WeakPolarHBondContact O-CG 3.27Å; K481-L485 PolarHBondContact O-N 3.47Å |
| 482 | V | 82.1 | Confident | 79.9 | Confident | 82 Ų | 82 | 97.5 Ų | 97.5 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 174 | 167.3 | 0 | 0 | 0 | 0 | 109.9 | L478 E479 E484 L485 T486 | L478-V482 WeakPolarHBondContact O-CB 3.45Å; L478-V482 VanDerWaalsContact O-CG2 3.25Å; L478-V482 WeakPolarHBondContact O-CG2 3.29Å; L478-V482 PolarHBondContact O-N 3.05Å; E479-V482 PolarHBondContact O-N 3.06Å; V482-E484 VanDerWaalsContact C-N 3.34Å; V482-E484 PolarHBondContact O-N 3.5Å; V482-L485 PolarHBondContact O-N 3.17Å; V482-T486 HydrophobicContact CG1-CG2 4.32Å; V482-T486 WeakPolarHBondContact O-CG2 3.37Å; V482-T486 PolarHBondContact O-N 3.23Å; V482-T486 PolarHBondContact O-OG1 3.22Å; V482-T486 VanDerWaalsContact O-OG1 3.05Å |
| 483 | N | 86.2 | Confident | 81.1 | Confident | 95 Ų | 95 | 99 Ų | 99 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 178.2 | -69.8 | -25.2 | 0 | 0 | 0 | 112.7 | E479 V480 T486 A487 | E479-N483 WeakPolarHBondContact O-CB 3.43Å; E479-N483 PolarHBondContact O-N 2.84Å; E479-N483 PolarHBondContact O-ND2 3.23Å; V480-N483 PolarHBondContact O-N 2.92Å; N483-T486 WeakPolarHBondContact CA-OG1 3.42Å; N483-T486 PolarHBondContact O-OG1 3.3Å; N483-A487 WeakPolarHBondContact O-CB 3.41Å; N483-A487 PolarHBondContact O-N 3.44Å |
| 484 | E | 88.3 | Confident | 82.4 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 174.8 | -166.8 | -169.4 | 171.9 | 0 | 0 | 111.7 | V480 K481 V482 N488 | V480-E484 WeakPolarHBondContact O-CB 3.38Å; V480-E484 PolarHBondContact O-N 3.48Å; K481-E484 IonicContact NZ-OE1 3.04Å; K481-E484 IonicContact NZ-OE2 3.03Å; K481-E484 PolarHBondContact NZ-OE2 3.29Å; K481-E484 PolarHBondContact O-N 3.03Å; V482-E484 VanDerWaalsContact C-N 3.34Å; V482-E484 PolarHBondContact O-N 3.5Å; E484-N488 WeakPolarHBondContact O-CB 3.5Å; E484-N488 PolarHBondContact O-N 3.26Å; E484-N488 PolarHBondContact O-ND2 2.94Å |
| 485 | L | 87.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 96.1 Ų | 96.1 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71 | -35.2 | 178.4 | -73 | 173 | 0 | 0 | 0 | 112.4 | K481 V482 L489 | K481-L485 HydrophobicContact CG-CD1 4.36Å; K481-L485 WeakPolarHBondContact O-CB 3.49Å; K481-L485 VanDerWaalsContact O-CG 3.27Å; K481-L485 WeakPolarHBondContact O-CG 3.27Å; K481-L485 PolarHBondContact O-N 3.47Å; V482-L485 PolarHBondContact O-N 3.17Å; L485-L489 VanDerWaalsContact O-CB 3.31Å; L485-L489 WeakPolarHBondContact O-CB 3.47Å; L485-L489 PolarHBondContact O-N 2.71Å |
| 486 | T | 84.9 | Confident | 84.6 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 175.5 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | V482 N483 L489 E490 | V482-T486 HydrophobicContact CG1-CG2 4.32Å; V482-T486 WeakPolarHBondContact O-CG2 3.37Å; V482-T486 PolarHBondContact O-N 3.23Å; V482-T486 PolarHBondContact O-OG1 3.22Å; V482-T486 VanDerWaalsContact O-OG1 3.05Å; N483-T486 WeakPolarHBondContact CA-OG1 3.42Å; N483-T486 PolarHBondContact O-OG1 3.3Å; T486-L489 PolarHBondContact O-N 3.29Å; T486-E490 PolarHBondContact O-N 3.32Å |
| 487 | A | 90 | Very high | 85.4 | Confident | 52 Ų | 52 | 95.7 Ų | 95.7 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N483 L489 E490 D491 | N483-A487 WeakPolarHBondContact O-CB 3.41Å; N483-A487 PolarHBondContact O-N 3.44Å; A487-L489 VanDerWaalsContact C-N 3.29Å; A487-L489 PolarHBondContact O-N 2.87Å; A487-E490 PolarHBondContact O-N 3.4Å; A487-E490 VanDerWaalsContact O-N 3.14Å; A487-D491 PolarHBondContact O-N 2.94Å |
| 488 | N | 87.8 | Confident | 86.1 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 175.8 | -81 | -52.6 | 0 | 0 | 0 | 112.5 | E484 E490 K492 | E484-N488 WeakPolarHBondContact O-CB 3.5Å; E484-N488 PolarHBondContact O-N 3.26Å; E484-N488 PolarHBondContact O-ND2 2.94Å; N488-E490 VanDerWaalsContact C-N 3.35Å; N488-K492 WeakPolarHBondContact O-CB 3.4Å; N488-K492 VanDerWaalsContact O-CG 3.23Å; N488-K492 WeakPolarHBondContact O-CG 3.4Å; N488-K492 PolarHBondContact O-N 3.16Å |
| 489 | L | 87.9 | Confident | 86.6 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 177.2 | -179 | 66.4 | 0 | 0 | 0 | 111.3 | L485 T486 A487 K492 K493 | L485-L489 VanDerWaalsContact O-CB 3.31Å; L485-L489 WeakPolarHBondContact O-CB 3.47Å; L485-L489 PolarHBondContact O-N 2.71Å; T486-L489 PolarHBondContact O-N 3.29Å; A487-L489 VanDerWaalsContact C-N 3.29Å; A487-L489 PolarHBondContact O-N 2.87Å; L489-K492 PolarHBondContact O-N 3.35Å; L489-K493 WeakPolarHBondContact O-CG 3.35Å; L489-K493 PolarHBondContact O-N 2.97Å |
| 490 | E | 88.6 | Confident | 87.1 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 179.5 | -155.1 | 58.5 | -150.5 | 0 | 0 | 111.3 | T486 A487 N488 K492 K493 E494 | T486-E490 PolarHBondContact O-N 3.32Å; A487-E490 PolarHBondContact O-N 3.4Å; A487-E490 VanDerWaalsContact O-N 3.14Å; N488-E490 VanDerWaalsContact C-N 3.35Å; E490-K492 VanDerWaalsContact C-N 3.28Å; E490-K492 PolarHBondContact O-N 2.92Å; E490-K493 WeakPolarHBondContact O-CB 3.41Å; E490-K493 PolarHBondContact O-N 3.32Å; E490-K493 VanDerWaalsContact O-N 3.1Å; E490-K493 IonicContact OE2-NZ 3.77Å; E490-K493 PolarHBondContact OE2-NZ 3.15Å; E490-E494 PolarHBondContact O-N 2.91Å |
| 491 | D | 87.9 | Confident | 87.3 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 171.3 | -72.1 | -13.3 | 0 | 0 | 0 | 111.8 | A487 E494 T495 | A487-D491 PolarHBondContact O-N 2.94Å; D491-E494 PolarHBondContact O-N 3.01Å; D491-T495 WeakPolarHBondContact O-CG2 3.3Å; D491-T495 PolarHBondContact O-N 3.47Å; D491-T495 PolarHBondContact O-OG1 2.91Å |
| 492 | K | 87.6 | Confident | 87.3 | Confident | 145 Ų | 145 | 94.2 Ų | 94.2 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.7 | -34.3 | 175.6 | -69 | -60 | 178.4 | -168.5 | 0 | 113 | N488 L489 E490 T495 A496 | N488-K492 WeakPolarHBondContact O-CB 3.4Å; N488-K492 VanDerWaalsContact O-CG 3.23Å; N488-K492 WeakPolarHBondContact O-CG 3.4Å; N488-K492 PolarHBondContact O-N 3.16Å; L489-K492 PolarHBondContact O-N 3.35Å; E490-K492 VanDerWaalsContact C-N 3.28Å; E490-K492 PolarHBondContact O-N 2.92Å; K492-T495 VanDerWaalsContact CA-OG1 3.29Å; K492-T495 WeakPolarHBondContact CA-OG1 3.32Å; K492-T495 PolarHBondContact O-OG1 2.95Å; K492-A496 VanDerWaalsContact O-CB 3.23Å; K492-A496 WeakPolarHBondContact O-CB 3.49Å; K492-A496 PolarHBondContact O-N 3.48Å |
| 493 | K | 86.4 | Confident | 87.4 | Confident | 106 Ų | 106 | 95.1 Ų | 95.1 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 172.8 | -73.3 | 178.7 | -164.5 | 155.9 | 0 | 111.6 | L489 E490 A496 K497 | L489-K493 WeakPolarHBondContact O-CG 3.35Å; L489-K493 PolarHBondContact O-N 2.97Å; E490-K493 WeakPolarHBondContact O-CB 3.41Å; E490-K493 PolarHBondContact O-N 3.32Å; E490-K493 VanDerWaalsContact O-N 3.1Å; E490-K493 IonicContact OE2-NZ 3.77Å; E490-K493 PolarHBondContact OE2-NZ 3.15Å; K493-A496 PolarHBondContact O-N 3.27Å; K493-K497 WeakPolarHBondContact O-CB 3.39Å; K493-K497 PolarHBondContact O-N 2.84Å |
| 494 | E | 88.4 | Confident | 87.5 | Confident | 97 Ų | 97 | 93 Ų | 93 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 178.9 | -158.5 | 67.3 | -149.5 | 0 | 0 | 110.2 | E490 D491 A496 K497 I498 | E490-E494 PolarHBondContact O-N 2.91Å; D491-E494 PolarHBondContact O-N 3.01Å; E494-A496 PolarHBondContact O-N 3.4Å; E494-K497 WeakPolarHBondContact O-CB 3.49Å; E494-K497 PolarHBondContact O-N 3.4Å; E494-I498 WeakPolarHBondContact O-CG1 3.36Å; E494-I498 PolarHBondContact O-N 2.9Å |
| 495 | T | 86.4 | Confident | 87.5 | Confident | 67 Ų | 67 | 94.5 Ų | 94.5 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | D491 K492 K497 I498 L499 | D491-T495 WeakPolarHBondContact O-CG2 3.3Å; D491-T495 PolarHBondContact O-N 3.47Å; D491-T495 PolarHBondContact O-OG1 2.91Å; K492-T495 VanDerWaalsContact CA-OG1 3.29Å; K492-T495 WeakPolarHBondContact CA-OG1 3.32Å; K492-T495 PolarHBondContact O-OG1 2.95Å; T495-K497 VanDerWaalsContact C-N 3.31Å; T495-K497 PolarHBondContact O-N 3.17Å; T495-I498 PolarHBondContact O-N 3.39Å; T495-L499 WeakPolarHBondContact O-CB 3.37Å; T495-L499 WeakPolarHBondContact O-CG 3.32Å; T495-L499 PolarHBondContact O-N 3.31Å |
| 496 | A | 85.4 | Confident | 87.5 | Confident | 56 Ų | 56 | 92.5 Ų | 92.5 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K492 K493 E494 L499 K500 | K492-A496 VanDerWaalsContact O-CB 3.23Å; K492-A496 WeakPolarHBondContact O-CB 3.49Å; K492-A496 PolarHBondContact O-N 3.48Å; K493-A496 PolarHBondContact O-N 3.27Å; E494-A496 PolarHBondContact O-N 3.4Å; A496-L499 PolarHBondContact O-N 3.36Å; A496-K500 VanDerWaalsContact O-CB 3.29Å; A496-K500 WeakPolarHBondContact O-CB 3.41Å; A496-K500 PolarHBondContact O-N 2.94Å |
| 497 | K | 89.4 | Confident | 87.6 | Confident | 120 Ų | 120 | 93.9 Ų | 93.9 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.2 | -175.4 | -177.2 | 175.5 | -166.8 | 0 | 111.4 | K493 E494 T495 K500 N501 | K493-K497 WeakPolarHBondContact O-CB 3.39Å; K493-K497 PolarHBondContact O-N 2.84Å; E494-K497 WeakPolarHBondContact O-CB 3.49Å; E494-K497 PolarHBondContact O-N 3.4Å; T495-K497 VanDerWaalsContact C-N 3.31Å; T495-K497 PolarHBondContact O-N 3.17Å; K497-K500 PolarHBondContact O-N 2.98Å; K497-N501 PolarHBondContact O-N 3.3Å; K497-N501 PolarHBondContact O-OD1 3.5Å |
| 498 | I | 89.3 | Confident | 87.6 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 173.8 | -66.9 | 165.9 | 0 | 0 | 0 | 110.4 | E494 T495 K500 N501 A502 | E494-I498 WeakPolarHBondContact O-CG1 3.36Å; E494-I498 PolarHBondContact O-N 2.9Å; T495-I498 PolarHBondContact O-N 3.39Å; I498-K500 VanDerWaalsContact C-N 3.33Å; I498-K500 PolarHBondContact O-N 2.95Å; I498-N501 PolarHBondContact O-N 2.88Å; I498-A502 PolarHBondContact O-N 2.96Å |
| 499 | L | 86.8 | Confident | 87.6 | Confident | 122 Ų | 122 | 96.9 Ų | 96.9 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 178.8 | -72 | 172.9 | 0 | 0 | 0 | 112.4 | T495 A496 N501 A502 L503 | T495-L499 WeakPolarHBondContact O-CB 3.37Å; T495-L499 WeakPolarHBondContact O-CG 3.32Å; T495-L499 PolarHBondContact O-N 3.31Å; A496-L499 PolarHBondContact O-N 3.36Å; L499-N501 VanDerWaalsContact C-N 3.35Å; L499-A502 PolarHBondContact O-N 2.88Å; L499-L503 WeakPolarHBondContact O-CB 3.4Å; L499-L503 PolarHBondContact O-N 2.95Å |
| 500 | K | 88.4 | Confident | 87.4 | Confident | 156 Ų | 156 | 96.4 Ų | 96.4 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 175.7 | -174 | 177.9 | -179.6 | 179.3 | 0 | 111.8 | A496 K497 I498 L503 S504 | A496-K500 VanDerWaalsContact O-CB 3.29Å; A496-K500 WeakPolarHBondContact O-CB 3.41Å; A496-K500 PolarHBondContact O-N 2.94Å; K497-K500 PolarHBondContact O-N 2.98Å; I498-K500 VanDerWaalsContact C-N 3.33Å; I498-K500 PolarHBondContact O-N 2.95Å; K500-L503 PolarHBondContact O-N 3.5Å; K500-S504 PolarHBondContact O-N 2.85Å |
| 501 | N | 88.5 | Confident | 87.4 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.4 | -69.5 | -7.7 | 0 | 0 | 0 | 110.8 | K497 I498 L499 L503 S504 E505 | K497-N501 PolarHBondContact O-N 3.3Å; K497-N501 PolarHBondContact O-OD1 3.5Å; I498-N501 PolarHBondContact O-N 2.88Å; L499-N501 VanDerWaalsContact C-N 3.35Å; N501-L503 VanDerWaalsContact C-N 3.3Å; N501-L503 PolarHBondContact O-N 3.42Å; N501-S504 PolarHBondContact O-N 3.23Å; N501-S504 VanDerWaalsContact O-N 3.08Å; N501-S504 PolarHBondContact O-OG 2.86Å; N501-E505 PolarHBondContact O-N 2.98Å |
| 502 | A | 84.9 | Confident | 87.4 | Confident | 49 Ų | 49 | 97.2 Ų | 97.2 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I498 L499 E505 C506 | I498-A502 PolarHBondContact O-N 2.96Å; L499-A502 PolarHBondContact O-N 2.88Å; A502-E505 PolarHBondContact O-N 2.89Å; A502-C506 WeakPolarHBondContact O-CB 3.47Å; A502-C506 PolarHBondContact O-N 3.27Å |
| 503 | L | 85.8 | Confident | 87.2 | Confident | 101 Ų | 101 | 92.1 Ų | 92.1 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 173.6 | -176 | 68.8 | 0 | 0 | 0 | 111.1 | L499 K500 N501 E505 C506 E507 | L499-L503 WeakPolarHBondContact O-CB 3.4Å; L499-L503 PolarHBondContact O-N 2.95Å; K500-L503 PolarHBondContact O-N 3.5Å; N501-L503 VanDerWaalsContact C-N 3.3Å; N501-L503 PolarHBondContact O-N 3.42Å; L503-E505 VanDerWaalsContact C-N 3.33Å; L503-E505 PolarHBondContact O-N 3.07Å; L503-C506 PolarHBondContact O-N 3.2Å; L503-E507 WeakPolarHBondContact O-CG 3.5Å; L503-E507 PolarHBondContact O-N 3.44Å |
| 504 | S | 87.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 93.1 Ų | 93.1 | 36% | 0.357 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 178.6 | 71 | 0 | 0 | 0 | 0 | 113.1 | K500 N501 E507 I508 | K500-S504 PolarHBondContact O-N 2.85Å; N501-S504 PolarHBondContact O-N 3.23Å; N501-S504 VanDerWaalsContact O-N 3.08Å; N501-S504 PolarHBondContact O-OG 2.86Å; S504-E507 PolarHBondContact O-N 3.47Å; S504-I508 VanDerWaalsContact O-CG1 3.3Å; S504-I508 WeakPolarHBondContact O-CG1 3.39Å; S504-I508 PolarHBondContact O-N 3.27Å; S504-I508 VanDerWaalsContact O-N 3.12Å |
| 505 | E | 88.8 | Confident | 87.1 | Confident | 123 Ų | 123 | 95.3 Ų | 95.3 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -47.8 | 172.1 | -74.5 | 175.8 | 176.3 | 0 | 0 | 110.8 | N501 A502 L503 E507 I508 D509 | N501-E505 PolarHBondContact O-N 2.98Å; A502-E505 PolarHBondContact O-N 2.89Å; L503-E505 VanDerWaalsContact C-N 3.33Å; L503-E505 PolarHBondContact O-N 3.07Å; E505-E507 VanDerWaalsContact C-N 3.3Å; E505-E507 PolarHBondContact O-N 3.29Å; E505-I508 WeakPolarHBondContact O-CA 3.45Å; E505-I508 WeakPolarHBondContact O-CB 3.38Å; E505-I508 PolarHBondContact O-N 3.34Å; E505-D509 PolarHBondContact O-N 2.94Å |
| 506 | C | 86.1 | Confident | 87.1 | Confident | 61 Ų | 61 | 98.2 Ų | 98.2 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | A502 L503 I508 D509 I510 | A502-C506 WeakPolarHBondContact O-CB 3.47Å; A502-C506 PolarHBondContact O-N 3.27Å; L503-C506 PolarHBondContact O-N 3.2Å; C506-I508 VanDerWaalsContact C-N 3.29Å; C506-I508 PolarHBondContact O-N 3.31Å; C506-D509 PolarHBondContact O-N 3.46Å; C506-I510 WeakPolarHBondContact O-CB 3.48Å; C506-I510 VanDerWaalsContact O-CG1 3.26Å; C506-I510 WeakPolarHBondContact O-CG1 3.5Å; C506-I510 PolarHBondContact O-N 3.27Å |
| 507 | E | 87.9 | Confident | 87 | Confident | 102 Ų | 102 | 100.6 Ų | 100.6 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -30.2 | 173.3 | -76.3 | 178 | 174.4 | 0 | 0 | 113.3 | L503 S504 E505 R511 | L503-E507 WeakPolarHBondContact O-CG 3.5Å; L503-E507 PolarHBondContact O-N 3.44Å; S504-E507 PolarHBondContact O-N 3.47Å; E505-E507 VanDerWaalsContact C-N 3.3Å; E505-E507 PolarHBondContact O-N 3.29Å; E507-R511 WeakPolarHBondContact O-CB 3.43Å; E507-R511 WeakPolarHBondContact O-CG 3.3Å; E507-R511 PolarHBondContact O-N 3.19Å; E507-R511 PolarHBondContact O-NE 2.95Å; E507-R511 VanDerWaalsContact O-NE 3.17Å |
| 508 | I | 89.2 | Confident | 86.9 | Confident | 86 Ų | 86 | 100.6 Ų | 100.6 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.3 | -46.7 | 171.9 | -68.3 | 163.5 | 0 | 0 | 0 | 109.2 | S504 E505 C506 I510 R511 C512 | S504-I508 VanDerWaalsContact O-CG1 3.3Å; S504-I508 WeakPolarHBondContact O-CG1 3.39Å; S504-I508 PolarHBondContact O-N 3.27Å; S504-I508 VanDerWaalsContact O-N 3.12Å; E505-I508 WeakPolarHBondContact O-CA 3.45Å; E505-I508 WeakPolarHBondContact O-CB 3.38Å; E505-I508 PolarHBondContact O-N 3.34Å; C506-I508 VanDerWaalsContact C-N 3.29Å; C506-I508 PolarHBondContact O-N 3.31Å; I508-I510 PolarHBondContact O-N 2.95Å; I508-R511 WeakPolarHBondContact O-CA 3.37Å; I508-R511 WeakPolarHBondContact O-CB 3.32Å; I508-R511 PolarHBondContact O-N 2.99Å; I508-R511 VanDerWaalsContact O-N 3.08Å; I508-C512 PolarHBondContact O-N 3.21Å; I508-C512 PolarHBondContact O-SG 3.47Å; I508-C512 VanDerWaalsContact O-SG 3.42Å |
| 509 | D | 87.4 | Confident | 86.8 | Confident | 106 Ų | 106 | 102.2 Ų | 102.2 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 179.2 | -68.1 | -19.8 | 0 | 0 | 0 | 111.9 | E505 C506 R511 C512 A513 | E505-D509 PolarHBondContact O-N 2.94Å; C506-D509 PolarHBondContact O-N 3.46Å; D509-R511 VanDerWaalsContact C-N 3.29Å; D509-R511 PolarHBondContact O-N 3.3Å; D509-C512 WeakPolarHBondContact O-CB 3.38Å; D509-C512 PolarHBondContact O-N 3.5Å; D509-C512 VanDerWaalsContact O-N 3.16Å; D509-A513 WeakPolarHBondContact O-CB 3.45Å; D509-A513 PolarHBondContact O-N 3.25Å |
| 510 | I | 84.7 | Confident | 86.7 | Confident | 86 Ų | 86 | 101.4 Ų | 101.4 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 174.1 | -70.1 | 167.2 | 0 | 0 | 0 | 110.9 | C506 I508 K514 | C506-I510 WeakPolarHBondContact O-CB 3.48Å; C506-I510 VanDerWaalsContact O-CG1 3.26Å; C506-I510 WeakPolarHBondContact O-CG1 3.5Å; C506-I510 PolarHBondContact O-N 3.27Å; I508-I510 PolarHBondContact O-N 2.95Å; I510-K514 HydrophobicContact CG2-CD 4.29Å; I510-K514 WeakPolarHBondContact O-CB 3.31Å; I510-K514 WeakPolarHBondContact O-CG 3.46Å; I510-K514 PolarHBondContact O-N 3.18Å |
| 511 | R | 88.7 | Confident | 86.5 | Confident | 151 Ų | 151 | 98.5 Ų | 98.5 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -39.9 | 176.4 | -85.4 | -176.2 | -75.3 | 179.1 | -5.6 | 112 | E507 I508 D509 K515 | E507-R511 WeakPolarHBondContact O-CB 3.43Å; E507-R511 WeakPolarHBondContact O-CG 3.3Å; E507-R511 PolarHBondContact O-N 3.19Å; E507-R511 PolarHBondContact O-NE 2.95Å; E507-R511 VanDerWaalsContact O-NE 3.17Å; I508-R511 WeakPolarHBondContact O-CA 3.37Å; I508-R511 WeakPolarHBondContact O-CB 3.32Å; I508-R511 PolarHBondContact O-N 2.99Å; I508-R511 VanDerWaalsContact O-N 3.08Å; D509-R511 VanDerWaalsContact C-N 3.29Å; D509-R511 PolarHBondContact O-N 3.3Å; R511-K515 PolarHBondContact O-N 2.9Å; R511-K515 VanDerWaalsContact O-N 3.16Å |
| 512 | C | 87.1 | Confident | 86.3 | Confident | 67 Ų | 67 | 98.1 Ų | 98.1 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 174.5 | -70.2 | 0 | 0 | 0 | 0 | 111 | I508 D509 K514 K515 E516 | I508-C512 PolarHBondContact O-N 3.21Å; I508-C512 PolarHBondContact O-SG 3.47Å; I508-C512 VanDerWaalsContact O-SG 3.42Å; D509-C512 WeakPolarHBondContact O-CB 3.38Å; D509-C512 PolarHBondContact O-N 3.5Å; D509-C512 VanDerWaalsContact O-N 3.16Å; C512-K514 VanDerWaalsContact C-N 3.35Å; C512-K514 PolarHBondContact O-N 3.35Å; C512-K515 WeakPolarHBondContact O-CB 3.31Å; C512-K515 PolarHBondContact O-N 3.37Å; C512-K515 VanDerWaalsContact O-N 3.15Å; C512-E516 PolarHBondContact O-N 3.19Å |
| 513 | A | 84.1 | Confident | 86.3 | Confident | 39 Ų | 39 | 101.1 Ų | 101.1 | 32% | 0.322 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D509 K515 E516 M517 | D509-A513 WeakPolarHBondContact O-CB 3.45Å; D509-A513 PolarHBondContact O-N 3.25Å; A513-K515 PolarHBondContact O-N 2.85Å; A513-E516 PolarHBondContact O-N 2.85Å; A513-M517 WeakPolarHBondContact O-CB 3.31Å; A513-M517 PolarHBondContact O-N 3.4Å |
| 514 | K | 84.9 | Confident | 86.3 | Confident | 127 Ų | 127 | 103.2 Ų | 103.2 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 174.5 | -80 | -179.1 | 177.1 | -178.4 | 0 | 112.5 | I510 C512 E516 M517 E518 | I510-K514 HydrophobicContact CG2-CD 4.29Å; I510-K514 WeakPolarHBondContact O-CB 3.31Å; I510-K514 WeakPolarHBondContact O-CG 3.46Å; I510-K514 PolarHBondContact O-N 3.18Å; C512-K514 VanDerWaalsContact C-N 3.35Å; C512-K514 PolarHBondContact O-N 3.35Å; K514-E516 VanDerWaalsContact C-N 3.32Å; K514-E516 PolarHBondContact O-N 2.8Å; K514-M517 PolarHBondContact O-N 3.46Å; K514-E518 WeakPolarHBondContact O-CG 3.38Å; K514-E518 PolarHBondContact O-N 3.19Å |
| 515 | K | 88 | Confident | 86.1 | Confident | 143 Ų | 143 | 106.6 Ų | 106.6 | 62% | 0.622 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 175.8 | -77.5 | -177.9 | 177.5 | -179.9 | 0 | 112.2 | R511 C512 A513 K519 | R511-K515 PolarHBondContact O-N 2.9Å; R511-K515 VanDerWaalsContact O-N 3.16Å; C512-K515 WeakPolarHBondContact O-CB 3.31Å; C512-K515 PolarHBondContact O-N 3.37Å; C512-K515 VanDerWaalsContact O-N 3.15Å; A513-K515 PolarHBondContact O-N 2.85Å; K515-K519 WeakPolarHBondContact O-CG 3.41Å; K515-K519 PolarHBondContact O-N 3.48Å |
| 516 | E | 85.3 | Confident | 85.9 | Confident | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.7 | -42.1 | 174.7 | -71 | -173.2 | 161.4 | 0 | 0 | 111.8 | C512 A513 K514 E518 K519 L520 | C512-E516 PolarHBondContact O-N 3.19Å; A513-E516 PolarHBondContact O-N 2.85Å; K514-E516 VanDerWaalsContact C-N 3.32Å; K514-E516 PolarHBondContact O-N 2.8Å; E516-E518 PolarHBondContact O-N 2.98Å; E516-K519 WeakPolarHBondContact O-CB 3.26Å; E516-K519 PolarHBondContact O-N 3Å; E516-L520 WeakPolarHBondContact O-CG 3.29Å; E516-L520 PolarHBondContact O-N 3.48Å |
| 517 | M | 84.1 | Confident | 85.8 | Confident | 105 Ų | 105 | 107 Ų | 107 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 175.2 | -168 | -163.6 | 78.3 | 0 | 0 | 111.6 | A513 K514 K519 L520 E521 | A513-M517 WeakPolarHBondContact O-CB 3.31Å; A513-M517 PolarHBondContact O-N 3.4Å; K514-M517 PolarHBondContact O-N 3.46Å; M517-K519 VanDerWaalsContact C-N 3.34Å; M517-K519 PolarHBondContact O-N 3.42Å; M517-L520 PolarHBondContact O-N 2.84Å; M517-E521 WeakPolarHBondContact O-CB 3.46Å; M517-E521 PolarHBondContact O-N 3.08Å |
| 518 | E | 87.4 | Confident | 85.5 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.3 | -43 | 175.5 | -77.2 | 174.5 | -176.5 | 0 | 0 | 111.9 | K514 E516 E521 T522 | K514-E518 WeakPolarHBondContact O-CG 3.38Å; K514-E518 PolarHBondContact O-N 3.19Å; E516-E518 PolarHBondContact O-N 2.98Å; E518-E521 PolarHBondContact O-N 3.31Å; E518-T522 WeakPolarHBondContact O-CG2 3.3Å; E518-T522 PolarHBondContact O-N 2.88Å; E518-T522 PolarHBondContact O-OG1 2.99Å |
| 519 | K | 87.3 | Confident | 85.3 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 175.3 | -72.1 | 173.6 | -178.2 | 178.4 | 0 | 112.4 | K515 E516 M517 E521 T522 Q523 | K515-K519 WeakPolarHBondContact O-CG 3.41Å; K515-K519 PolarHBondContact O-N 3.48Å; E516-K519 WeakPolarHBondContact O-CB 3.26Å; E516-K519 PolarHBondContact O-N 3Å; M517-K519 VanDerWaalsContact C-N 3.34Å; M517-K519 PolarHBondContact O-N 3.42Å; K519-E521 VanDerWaalsContact C-N 3.32Å; K519-T522 WeakPolarHBondContact CA-OG1 3.4Å; K519-T522 PolarHBondContact O-N 2.87Å; K519-T522 PolarHBondContact O-OG1 3.21Å; K519-Q523 WeakPolarHBondContact O-CG 3.41Å; K519-Q523 PolarHBondContact O-N 2.99Å |
| 520 | L | 84.2 | Confident | 85.1 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 176.8 | -71.2 | 172.9 | 0 | 0 | 0 | 111.2 | E516 M517 Q523 K524 | E516-L520 WeakPolarHBondContact O-CG 3.29Å; E516-L520 PolarHBondContact O-N 3.48Å; M517-L520 PolarHBondContact O-N 2.84Å; L520-Q523 PolarHBondContact O-N 3.27Å; L520-K524 WeakPolarHBondContact O-CB 3.34Å; L520-K524 PolarHBondContact O-N 3.42Å |
| 521 | E | 83.4 | Confident | 84.9 | Confident | 95 Ų | 95 | 107.1 Ų | 107.1 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 177.3 | -165 | 169.8 | -170.9 | 0 | 0 | 111.9 | M517 E518 K519 K524 K525 | M517-E521 WeakPolarHBondContact O-CB 3.46Å; M517-E521 PolarHBondContact O-N 3.08Å; E518-E521 PolarHBondContact O-N 3.31Å; K519-E521 VanDerWaalsContact C-N 3.32Å; E521-K524 PolarHBondContact O-N 3.48Å; E521-K525 WeakPolarHBondContact O-CG 3.4Å; E521-K525 PolarHBondContact O-N 3.25Å |
| 522 | T | 85.1 | Confident | 84.6 | Confident | 78 Ų | 78 | 104.1 Ų | 104.1 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 170.2 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | E518 K519 K524 K525 D526 | E518-T522 WeakPolarHBondContact O-CG2 3.3Å; E518-T522 PolarHBondContact O-N 2.88Å; E518-T522 PolarHBondContact O-OG1 2.99Å; K519-T522 WeakPolarHBondContact CA-OG1 3.4Å; K519-T522 PolarHBondContact O-N 2.87Å; K519-T522 PolarHBondContact O-OG1 3.21Å; T522-K524 VanDerWaalsContact C-N 3.31Å; T522-K524 PolarHBondContact O-N 2.96Å; T522-K525 PolarHBondContact O-N 3.25Å; T522-D526 PolarHBondContact O-N 2.88Å |
| 523 | Q | 85.8 | Confident | 84.3 | Confident | 111 Ų | 111 | 104.8 Ų | 104.8 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176 | -73.5 | 176.1 | -1.6 | 0 | 0 | 112.2 | K519 L520 D526 L527 | K519-Q523 WeakPolarHBondContact O-CG 3.41Å; K519-Q523 PolarHBondContact O-N 2.99Å; L520-Q523 PolarHBondContact O-N 3.27Å; Q523-D526 PolarHBondContact O-N 2.93Å; Q523-L527 WeakPolarHBondContact O-CG 3.29Å; Q523-L527 PolarHBondContact O-N 2.86Å |
| 524 | K | 84.5 | Confident | 84.1 | Confident | 145 Ų | 145 | 108 Ų | 108 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 175.5 | -177.6 | -174.9 | 173.8 | -174.7 | 0 | 111.3 | L520 E521 T522 L527 T528 | L520-K524 WeakPolarHBondContact O-CB 3.34Å; L520-K524 PolarHBondContact O-N 3.42Å; E521-K524 PolarHBondContact O-N 3.48Å; T522-K524 VanDerWaalsContact C-N 3.31Å; T522-K524 PolarHBondContact O-N 2.96Å; K524-L527 PolarHBondContact O-N 3.46Å; K524-T528 WeakPolarHBondContact O-CB 3.42Å; K524-T528 PolarHBondContact O-N 3.44Å; K524-T528 PolarHBondContact O-OG1 2.9Å |
| 525 | K | 84.5 | Confident | 83.9 | Confident | 123 Ų | 123 | 106.5 Ų | 106.5 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.5 | -75 | 174.9 | -176.9 | 172.8 | 0 | 111.2 | E521 T522 L527 T528 E529 | E521-K525 WeakPolarHBondContact O-CG 3.4Å; E521-K525 PolarHBondContact O-N 3.25Å; T522-K525 PolarHBondContact O-N 3.25Å; K525-L527 VanDerWaalsContact C-N 3.33Å; K525-L527 PolarHBondContact O-N 3.26Å; K525-T528 WeakPolarHBondContact O-CB 3.42Å; K525-T528 PolarHBondContact O-N 2.88Å; K525-E529 PolarHBondContact O-N 2.9Å |
| 526 | D | 84.4 | Confident | 83.6 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | 177.2 | -64.9 | -14.9 | 0 | 0 | 0 | 111.8 | T522 Q523 T528 E529 Q530 | T522-D526 PolarHBondContact O-N 2.88Å; Q523-D526 PolarHBondContact O-N 2.93Å; D526-T528 VanDerWaalsContact C-N 3.34Å; D526-E529 PolarHBondContact O-N 3.27Å; D526-Q530 WeakPolarHBondContact O-CG 3.48Å; D526-Q530 PolarHBondContact O-N 3.49Å |
| 527 | L | 83.8 | Confident | 83.3 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 175.6 | -73.9 | 171.1 | 0 | 0 | 0 | 112.3 | Q523 K524 K525 Q530 V531 | Q523-L527 WeakPolarHBondContact O-CG 3.29Å; Q523-L527 PolarHBondContact O-N 2.86Å; K524-L527 PolarHBondContact O-N 3.46Å; K525-L527 VanDerWaalsContact C-N 3.33Å; K525-L527 PolarHBondContact O-N 3.26Å; L527-Q530 WeakPolarHBondContact O-CB 3.45Å; L527-Q530 PolarHBondContact O-N 2.98Å; L527-V531 WeakPolarHBondContact O-CG2 3.31Å; L527-V531 PolarHBondContact O-N 3.28Å |
| 528 | T | 82.4 | Confident | 82.9 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 110.5 | K524 K525 D526 Q530 V531 D532 | K524-T528 WeakPolarHBondContact O-CB 3.42Å; K524-T528 PolarHBondContact O-N 3.44Å; K524-T528 PolarHBondContact O-OG1 2.9Å; K525-T528 WeakPolarHBondContact O-CB 3.42Å; K525-T528 PolarHBondContact O-N 2.88Å; D526-T528 VanDerWaalsContact C-N 3.34Å; T528-Q530 VanDerWaalsContact C-N 3.31Å; T528-Q530 PolarHBondContact O-N 2.76Å; T528-V531 PolarHBondContact O-N 3.28Å; T528-V531 VanDerWaalsContact O-N 3.15Å; T528-D532 PolarHBondContact O-N 2.81Å |
| 529 | E | 83.7 | Confident | 82.6 | Confident | 127 Ų | 127 | 98.2 Ų | 98.2 | 59% | 0.593 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 173.9 | -73.6 | -179.4 | -178.2 | 0 | 0 | 112.2 | K525 D526 D532 C533 | K525-E529 PolarHBondContact O-N 2.9Å; D526-E529 PolarHBondContact O-N 3.27Å; E529-D532 PolarHBondContact O-N 3.39Å; E529-C533 WeakPolarHBondContact O-CB 3.41Å; E529-C533 PolarHBondContact O-N 2.87Å; E529-C533 PolarHBondContact O-SG 3.47Å |
| 530 | Q | 84.3 | Confident | 82.3 | Confident | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 172.8 | -72.9 | 176.1 | 29.6 | 0 | 0 | 112 | D526 L527 T528 C533 L534 | D526-Q530 WeakPolarHBondContact O-CG 3.48Å; D526-Q530 PolarHBondContact O-N 3.49Å; L527-Q530 WeakPolarHBondContact O-CB 3.45Å; L527-Q530 PolarHBondContact O-N 2.98Å; T528-Q530 VanDerWaalsContact C-N 3.31Å; T528-Q530 PolarHBondContact O-N 2.76Å; Q530-C533 WeakPolarHBondContact O-CB 3.35Å; Q530-C533 PolarHBondContact O-N 2.79Å; Q530-L534 WeakPolarHBondContact O-CG 3.43Å; Q530-L534 PolarHBondContact O-N 2.96Å |
| 531 | V | 80.4 | Confident | 82 | Confident | 71 Ų | 71 | 97.8 Ų | 97.8 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | L527 T528 C533 L534 L535 | L527-V531 WeakPolarHBondContact O-CG2 3.31Å; L527-V531 PolarHBondContact O-N 3.28Å; T528-V531 PolarHBondContact O-N 3.28Å; T528-V531 VanDerWaalsContact O-N 3.15Å; V531-C533 VanDerWaalsContact C-N 3.33Å; V531-C533 PolarHBondContact O-N 2.88Å; V531-L534 WeakPolarHBondContact O-CB 3.24Å; V531-L534 PolarHBondContact O-N 3.38Å; V531-L535 HydrophobicContact CG1-CD1 4.04Å; V531-L535 PolarHBondContact O-N 3.48Å |
| 532 | D | 81.4 | Confident | 81.7 | Confident | 89 Ų | 89 | 99 Ų | 99 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.1 | -75.5 | -20.2 | 0 | 0 | 0 | 111.5 | T528 E529 L534 L535 V536 | T528-D532 PolarHBondContact O-N 2.81Å; E529-D532 PolarHBondContact O-N 3.39Å; D532-L534 VanDerWaalsContact C-N 3.35Å; D532-L534 PolarHBondContact O-N 3.45Å; D532-L535 WeakPolarHBondContact O-CB 3.26Å; D532-L535 PolarHBondContact O-N 3.34Å; D532-V536 WeakPolarHBondContact O-CG2 3.48Å; D532-V536 PolarHBondContact O-N 3.18Å |
| 533 | C | 80.7 | Confident | 81.3 | Confident | 81 Ų | 81 | 101.3 Ų | 101.3 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 172.9 | -75.6 | 0 | 0 | 0 | 0 | 111.9 | E529 Q530 V531 V536 L537 | E529-C533 WeakPolarHBondContact O-CB 3.41Å; E529-C533 PolarHBondContact O-N 2.87Å; E529-C533 PolarHBondContact O-SG 3.47Å; Q530-C533 WeakPolarHBondContact O-CB 3.35Å; Q530-C533 PolarHBondContact O-N 2.79Å; V531-C533 VanDerWaalsContact C-N 3.33Å; V531-C533 PolarHBondContact O-N 2.88Å; C533-V536 PolarHBondContact O-N 3.44Å; C533-L537 WeakPolarHBondContact O-CG 3.47Å; C533-L537 PolarHBondContact O-N 2.79Å |
| 534 | L | 79.9 | Confident | 80.7 | Confident | 107 Ų | 107 | 101 Ų | 101 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 174.8 | -72.3 | 171.4 | 0 | 0 | 0 | 112.1 | Q530 V531 D532 V536 L537 C538 | Q530-L534 WeakPolarHBondContact O-CG 3.43Å; Q530-L534 PolarHBondContact O-N 2.96Å; V531-L534 WeakPolarHBondContact O-CB 3.24Å; V531-L534 PolarHBondContact O-N 3.38Å; D532-L534 VanDerWaalsContact C-N 3.35Å; D532-L534 PolarHBondContact O-N 3.45Å; L534-V536 PolarHBondContact O-N 2.81Å; L534-L537 HydrophobicContact CD2-CD1 4.39Å; L534-L537 WeakPolarHBondContact O-CB 3.28Å; L534-L537 PolarHBondContact O-N 2.78Å; L534-C538 PolarHBondContact O-N 2.9Å; L534-C538 PolarHBondContact O-SG 2.99Å |
| 535 | L | 81.1 | Confident | 80.1 | Confident | 94 Ų | 94 | 97.5 Ų | 97.5 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.9 | -89.8 | 159.7 | 0 | 0 | 0 | 111.7 | V531 D532 L537 C538 V539 | V531-L535 HydrophobicContact CG1-CD1 4.04Å; V531-L535 PolarHBondContact O-N 3.48Å; D532-L535 WeakPolarHBondContact O-CB 3.26Å; D532-L535 PolarHBondContact O-N 3.34Å; L535-L537 VanDerWaalsContact C-N 3.33Å; L535-L537 PolarHBondContact O-N 3.14Å; L535-C538 WeakPolarHBondContact O-CB 3.17Å; L535-C538 PolarHBondContact O-N 3.3Å; L535-V539 WeakPolarHBondContact O-CG2 3.41Å; L535-V539 PolarHBondContact O-N 3Å |
| 536 | V | 82.1 | Confident | 79.6 | Confident | 86 Ų | 86 | 98.3 Ų | 98.3 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | D532 C533 L534 V539 N540 | D532-V536 WeakPolarHBondContact O-CG2 3.48Å; D532-V536 PolarHBondContact O-N 3.18Å; C533-V536 PolarHBondContact O-N 3.44Å; L534-V536 PolarHBondContact O-N 2.81Å; V536-V539 PolarHBondContact O-N 2.89Å; V536-N540 WeakPolarHBondContact O-CB 3.48Å; V536-N540 PolarHBondContact O-N 3.21Å |
| 537 | L | 78.8 | Confident | 79 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 173.8 | -74.5 | 169.2 | 0 | 0 | 0 | 111.4 | C533 L534 L535 N540 K541 | C533-L537 WeakPolarHBondContact O-CG 3.47Å; C533-L537 PolarHBondContact O-N 2.79Å; L534-L537 HydrophobicContact CD2-CD1 4.39Å; L534-L537 WeakPolarHBondContact O-CB 3.28Å; L534-L537 PolarHBondContact O-N 2.78Å; L535-L537 VanDerWaalsContact C-N 3.33Å; L535-L537 PolarHBondContact O-N 3.14Å; L537-N540 PolarHBondContact O-N 3.41Å; L537-K541 VanDerWaalsContact O-CG 3.28Å; L537-K541 WeakPolarHBondContact O-CG 3.41Å; L537-K541 PolarHBondContact O-N 3.38Å |
| 538 | C | 76.8 | Confident | 78.1 | Confident | 73 Ų | 73 | 101.1 Ų | 101.1 | 49% | 0.493 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 175.6 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | L534 L535 N540 K541 E542 | L534-C538 PolarHBondContact O-N 2.9Å; L534-C538 PolarHBondContact O-SG 2.99Å; L535-C538 WeakPolarHBondContact O-CB 3.17Å; L535-C538 PolarHBondContact O-N 3.3Å; C538-N540 VanDerWaalsContact C-N 3.33Å; C538-N540 PolarHBondContact O-N 2.91Å; C538-K541 PolarHBondContact O-N 2.88Å; C538-K541 VanDerWaalsContact O-N 3.17Å; C538-E542 WeakPolarHBondContact O-CG 3.41Å; C538-E542 PolarHBondContact O-N 3.15Å |
| 539 | V | 80.9 | Confident | 77.2 | Confident | 64 Ų | 64 | 104.6 Ų | 104.6 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | L535 V536 E542 K543 | L535-V539 WeakPolarHBondContact O-CG2 3.41Å; L535-V539 PolarHBondContact O-N 3Å; V536-V539 PolarHBondContact O-N 2.89Å; V539-E542 PolarHBondContact O-N 2.9Å; V539-K543 HydrophobicContact CG1-CD 4.43Å; V539-K543 WeakPolarHBondContact O-CG 3.37Å; V539-K543 PolarHBondContact O-N 3.32Å |
| 540 | N | 79.4 | Confident | 76.2 | Confident | 83 Ų | 83 | 103.9 Ų | 103.9 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.2 | -81.8 | -16.4 | 0 | 0 | 0 | 111.5 | V536 L537 C538 K543 E544 | V536-N540 WeakPolarHBondContact O-CB 3.48Å; V536-N540 PolarHBondContact O-N 3.21Å; L537-N540 PolarHBondContact O-N 3.41Å; C538-N540 VanDerWaalsContact C-N 3.33Å; C538-N540 PolarHBondContact O-N 2.91Å; N540-K543 PolarHBondContact O-N 3.31Å; N540-E544 WeakPolarHBondContact O-CG 3.41Å; N540-E544 PolarHBondContact O-N 2.81Å |
| 541 | K | 78.8 | Confident | 75 | Confident | 152 Ų | 152 | 106 Ų | 106 | 66% | 0.661 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -39.3 | 175.1 | -68.4 | -68.9 | -178.3 | 176.1 | 0 | 112 | L537 C538 E544 L545 | L537-K541 VanDerWaalsContact O-CG 3.28Å; L537-K541 WeakPolarHBondContact O-CG 3.41Å; L537-K541 PolarHBondContact O-N 3.38Å; C538-K541 PolarHBondContact O-N 2.88Å; C538-K541 VanDerWaalsContact O-N 3.17Å; K541-E544 WeakPolarHBondContact O-CB 3.23Å; K541-E544 PolarHBondContact O-N 3.5Å; K541-L545 WeakPolarHBondContact O-CB 3.44Å; K541-L545 PolarHBondContact O-N 3.4Å |
| 542 | E | 76.3 | Confident | 73.8 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 173.5 | -75.9 | -173.1 | 167.4 | 0 | 0 | 113 | C538 V539 L545 K546 | C538-E542 WeakPolarHBondContact O-CG 3.41Å; C538-E542 PolarHBondContact O-N 3.15Å; V539-E542 PolarHBondContact O-N 2.9Å; E542-L545 WeakPolarHBondContact O-CB 3.45Å; E542-L545 PolarHBondContact O-N 2.91Å; E542-K546 PolarHBondContact O-N 2.95Å |
| 543 | K | 76.9 | Confident | 72.5 | Confident | 125 Ų | 125 | 113.2 Ų | 113.2 | 54% | 0.543 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -43 | 175 | -77.3 | 177.3 | -178.2 | 173.9 | 0 | 111.8 | V539 N540 L545 K546 K547 | V539-K543 HydrophobicContact CG1-CD 4.43Å; V539-K543 WeakPolarHBondContact O-CG 3.37Å; V539-K543 PolarHBondContact O-N 3.32Å; N540-K543 PolarHBondContact O-N 3.31Å; K543-L545 VanDerWaalsContact C-N 3.3Å; K543-L545 PolarHBondContact O-N 3.17Å; K543-K546 PolarHBondContact O-N 3.31Å; K543-K547 PolarHBondContact O-N 3.48Å |
| 544 | E | 73.9 | Confident | 71.1 | Confident | 105 Ų | 105 | 115.7 Ų | 115.7 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.8 | -44 | 171.8 | -75.3 | -77 | 116.3 | 0 | 0 | 111 | N540 K541 K546 K547 L548 | N540-E544 WeakPolarHBondContact O-CG 3.41Å; N540-E544 PolarHBondContact O-N 2.81Å; K541-E544 WeakPolarHBondContact O-CB 3.23Å; K541-E544 PolarHBondContact O-N 3.5Å; E544-K546 PolarHBondContact O-N 3.47Å; E544-K547 WeakPolarHBondContact O-CB 3.43Å; E544-K547 PolarHBondContact O-N 3.36Å; E544-K547 IonicContact OE1-NZ 3.73Å; E544-L548 PolarHBondContact O-N 3.48Å |
| 545 | L | 71.8 | Confident | 69.3 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 38% | 0.377 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.3 | -37.8 | 178.5 | -151.7 | 147.8 | 0 | 0 | 0 | 112.1 | K541 E542 K543 L548 K549 | K541-L545 WeakPolarHBondContact O-CB 3.44Å; K541-L545 PolarHBondContact O-N 3.4Å; E542-L545 WeakPolarHBondContact O-CB 3.45Å; E542-L545 PolarHBondContact O-N 2.91Å; K543-L545 VanDerWaalsContact C-N 3.3Å; K543-L545 PolarHBondContact O-N 3.17Å; L545-L548 PolarHBondContact O-N 3.45Å; L545-K549 HydrophobicContact CD2-CD 4.12Å; L545-K549 WeakPolarHBondContact O-CG 3.34Å; L545-K549 PolarHBondContact O-N 2.86Å |
| 546 | K | 73.9 | Confident | 67.6 | Low | 140 Ų | 140 | 113.8 Ų | 113.8 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.5 | -40.2 | 171.8 | -78.8 | 179.9 | 179.7 | 172 | 0 | 112.6 | E542 K543 E544 K549 L550 | E542-K546 PolarHBondContact O-N 2.95Å; K543-K546 PolarHBondContact O-N 3.31Å; E544-K546 PolarHBondContact O-N 3.47Å; K546-K549 PolarHBondContact O-N 3.13Å; K546-L550 PolarHBondContact O-N 3.43Å |
| 547 | K | 72.2 | Confident | 65.7 | Low | 134 Ų | 134 | 115 Ų | 115 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.7 | -42.7 | 173.8 | -75.2 | 179.1 | -175.6 | 170.8 | 0 | 111.8 | K543 E544 K549 L550 K551 | K543-K547 PolarHBondContact O-N 3.48Å; E544-K547 WeakPolarHBondContact O-CB 3.43Å; E544-K547 PolarHBondContact O-N 3.36Å; E544-K547 IonicContact OE1-NZ 3.73Å; K547-K549 VanDerWaalsContact C-N 3.34Å; K547-L550 PolarHBondContact O-N 2.86Å; K547-K551 PolarHBondContact O-N 2.84Å |
| 548 | L | 64.4 | Low | 64 | Low | 115 Ų | 115 | 116.4 Ų | 116.4 | 60% | 0.602 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.4 | -40.5 | 175 | -76.3 | 166.7 | 0 | 0 | 0 | 111.8 | E544 L545 K551 K552 | E544-L548 PolarHBondContact O-N 3.48Å; L545-L548 PolarHBondContact O-N 3.45Å; L548-K551 PolarHBondContact O-N 3.15Å; L548-K552 PolarHBondContact O-N 3.32Å |
| 549 | K | 64.1 | Low | 62.2 | Low | 139 Ų | 139 | 121 Ų | 121 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.3 | -38.6 | 174.2 | -76.5 | 179.5 | 175.8 | 177.6 | 0 | 113 | L545 K546 K547 K552 Q553 | L545-K549 HydrophobicContact CD2-CD 4.12Å; L545-K549 WeakPolarHBondContact O-CG 3.34Å; L545-K549 PolarHBondContact O-N 2.86Å; K546-K549 PolarHBondContact O-N 3.13Å; K547-K549 VanDerWaalsContact C-N 3.34Å; K549-K552 WeakPolarHBondContact O-CB 3.4Å; K549-K552 PolarHBondContact O-N 2.87Å; K549-Q553 PolarHBondContact O-N 3.45Å |
| 550 | L | 62.4 | Low | 60.7 | Low | 112 Ų | 112 | 125.7 Ų | 125.7 | 59% | 0.586 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70 | -38.1 | 176.6 | -89.7 | 152.8 | 0 | 0 | 0 | 112.8 | K546 K547 K552 Q553 | K546-L550 PolarHBondContact O-N 3.43Å; K547-L550 PolarHBondContact O-N 2.86Å; L550-K552 PolarHBondContact O-N 3.42Å; L550-Q553 PolarHBondContact O-N 3.25Å |
| 551 | K | 59.5 | Low | 59.1 | Low | 164 Ų | 164 | 127.7 Ų | 127.7 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -58.8 | -34.3 | 170 | -98.9 | -177.8 | 175 | 180 | 0 | 112.1 | K547 L548 Q553 | K547-K551 PolarHBondContact O-N 2.84Å; L548-K551 PolarHBondContact O-N 3.15Å; K551-Q553 VanDerWaalsContact C-N 3.34Å; K551-Q553 PolarHBondContact O-N 2.89Å |
| 552 | K | 54.8 | Low | 58.1 | Low | 145 Ų | 145 | 124 Ų | 124 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.6 | -27.8 | 177.8 | -163.1 | 178.1 | -179.3 | 177.5 | 0 | 113.8 | L548 K549 L550 | L548-K552 PolarHBondContact O-N 3.32Å; K549-K552 WeakPolarHBondContact O-CB 3.4Å; K549-K552 PolarHBondContact O-N 2.87Å; L550-K552 PolarHBondContact O-N 3.42Å |
| 553 | Q | 53.4 | Low | 57.2 | Low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.8 | -17.3 | -179.9 | -96.8 | 178.9 | -6.4 | 0 | 0 | 114.3 | K549 L550 K551 | K549-Q553 PolarHBondContact O-N 3.45Å; L550-Q553 PolarHBondContact O-N 3.25Å; K551-Q553 VanDerWaalsContact C-N 3.34Å; K551-Q553 PolarHBondContact O-N 2.89Å |
| 554 | V | 51 | Low | 56.4 | Low | 132 Ų | 132 | 127.7 Ų | 127.7 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -96.8 | -15.8 | -174.7 | 179.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 555 | S | 43.3 | Very low | 55.7 | Low | 81 Ų | 81 | 126.8 Ų | 126.8 | 57% | 0.566 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -113 | 9.9 | -171.2 | 88.5 | 0 | 0 | 0 | 0 | 117.4 | V557 | S555-V557 WeakPolarHBondContact O-CG2 3.5Å; S555-V557 PolarHBondContact O-N 2.87Å |
| 556 | G | 45.2 | Very low | 55.5 | Low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 67% | 0.672 | S | S | * | * | trans | 46.2 | 28.2 | 160 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 557 | V | 41.5 | Very low | 55.3 | Low | 112 Ų | 112 | 128.6 Ų | 128.6 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -133.8 | 135.5 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | S555 F559 | S555-V557 WeakPolarHBondContact O-CG2 3.5Å; S555-V557 PolarHBondContact O-N 2.87Å; V557-F559 PolarHBondContact O-N 2.79Å |
| 558 | P | 43.4 | Very low | 55.1 | Low | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 67% | 0.666 | S | S | * | * | trans | -73.1 | 120 | 179 | 8.1 | 5.8 | 0 | 0 | 0 | 109.6 | ||||
| 559 | F | 38 | Very low | 55.3 | Low | 170 Ų | 170 | 126.7 Ų | 126.7 | 75% | 0.746 | 66% | 0.664 | S | S | * | * | trans | -124.6 | 134 | 169.3 | -158.6 | -98.2 | 0 | 0 | 0 | 110.2 | V557 | V557-F559 PolarHBondContact O-N 2.79Š| ||
| 560 | Q | 50.6 | Low | 55.8 | Low | 162 Ų | 162 | 123.4 Ų | 123.4 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 140.7 | 177.6 | -100.6 | 112.6 | -17.1 | 0 | 0 | 112.3 | P562 | Q560-P562 VanDerWaalsContact O-CD 3.29Å; Q560-P562 WeakPolarHBondContact O-CD 3.37Å |
| 561 | I | 46.3 | Very low | 56.4 | Low | 126 Ų | 126 | 122.8 Ų | 122.8 | 65% | 0.646 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 119 | 164.3 | -60.9 | 171.5 | 0 | 0 | 0 | 106.9 | L565 | I561-L565 HydrophobicContact CG2-CB 4.49Å; I561-L565 HydrophobicContact CG2-CD2 4.42Å |
| 562 | P | 57.2 | Low | 57.2 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 47% | 0.474 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 142 | -179.6 | -17.5 | 31.6 | 0 | 0 | 0 | 111.7 | Q560 E564 L565 | Q560-P562 VanDerWaalsContact O-CD 3.29Å; Q560-P562 WeakPolarHBondContact O-CD 3.37Å; P562-E564 PolarHBondContact O-N 2.86Å; P562-L565 PolarHBondContact O-N 3.33Å |
| 563 | M | 57.9 | Low | 58.2 | Low | 177 Ų | 177 | 117.3 Ų | 117.3 | 87% | 0.872 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -23.8 | 179.6 | -154 | 164.5 | 175.7 | 0 | 0 | 113.6 | L565 N566 E567 | M563-L565 VanDerWaalsContact C-N 3.32Å; M563-L565 PolarHBondContact O-N 3.41Å; M563-N566 PolarHBondContact O-N 3.07Å; M563-E567 PolarHBondContact O-N 2.95Å |
| 564 | E | 59.8 | Low | 59.2 | Low | 148 Ų | 148 | 115 Ų | 115 | 69% | 0.692 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.5 | -29.4 | 175.8 | -70.5 | 172.2 | 154.5 | 0 | 0 | 113.7 | P562 E568 | P562-E564 PolarHBondContact O-N 2.86Å; E564-E568 WeakPolarHBondContact O-CG 3.27Å; E564-E568 PolarHBondContact O-N 3.39Å |
| 565 | L | 59.6 | Low | 60.4 | Low | 86 Ų | 86 | 113.2 Ų | 113.2 | 45% | 0.45 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.6 | -28.3 | 179.8 | -153.4 | 81.6 | 0 | 0 | 0 | 112.2 | I561 P562 M563 L569 | I561-L565 HydrophobicContact CG2-CB 4.49Å; I561-L565 HydrophobicContact CG2-CD2 4.42Å; P562-L565 PolarHBondContact O-N 3.33Å; M563-L565 VanDerWaalsContact C-N 3.32Å; M563-L565 PolarHBondContact O-N 3.41Å; L565-L569 PolarHBondContact O-N 3.28Å |
| 566 | N | 67.3 | Low | 61.9 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.8 | -32.4 | 177.5 | -162.9 | 51.9 | 0 | 0 | 0 | 111.6 | M563 S570 | M563-N566 PolarHBondContact O-N 3.07Å; N566-S570 PolarHBondContact O-N 2.84Å; N566-S570 VanDerWaalsContact O-N 3.14Å |
| 567 | E | 68.7 | Low | 63.3 | Low | 123 Ų | 123 | 114.9 Ų | 114.9 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.1 | -39 | 176.8 | -157.8 | 175 | -172.1 | 0 | 0 | 111.8 | M563 S570 K571 | M563-E567 PolarHBondContact O-N 2.95Å; E567-S570 PolarHBondContact O-N 2.88Å; E567-K571 WeakPolarHBondContact O-CG 3.29Å; E567-K571 PolarHBondContact O-N 3.33Å; E567-K571 VanDerWaalsContact O-N 3.1Å |
| 568 | E | 68.8 | Low | 64.8 | Low | 105 Ų | 105 | 118.7 Ų | 118.7 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.7 | -37.5 | 174.5 | -73.5 | -70.8 | 121.6 | 0 | 0 | 112.5 | E564 K571 V572 | E564-E568 WeakPolarHBondContact O-CG 3.27Å; E564-E568 PolarHBondContact O-N 3.39Å; E568-K571 PolarHBondContact O-N 2.95Å; E568-K571 IonicContact OE1-NZ 2.66Å; E568-K571 PolarHBondContact OE1-NZ 2.85Å; E568-V572 WeakPolarHBondContact O-CG2 3.45Å; E568-V572 PolarHBondContact O-N 2.83Å |
| 569 | L | 69.6 | Low | 66 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.8 | -40.5 | 173.3 | -106.4 | 140.9 | 0 | 0 | 0 | 112.1 | L565 K571 V572 E573 | L565-L569 PolarHBondContact O-N 3.28Å; L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 3.35Å; L569-V572 PolarHBondContact O-N 3.45Å; L569-E573 PolarHBondContact O-N 3.39Å |
| 570 | S | 73.9 | Confident | 67.6 | Low | 70 Ų | 70 | 115.3 Ų | 115.3 | 49% | 0.49 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.3 | -31.4 | 175.6 | -169.5 | 0 | 0 | 0 | 0 | 112.9 | N566 E567 M574 | N566-S570 PolarHBondContact O-N 2.84Å; N566-S570 VanDerWaalsContact O-N 3.14Å; E567-S570 PolarHBondContact O-N 2.88Å; S570-M574 PolarHBondContact O-N 3.41Å; S570-M574 VanDerWaalsContact O-N 3.15Å |
| 571 | K | 74.8 | Confident | 68.5 | Low | 99 Ų | 99 | 113.1 Ų | 113.1 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.5 | -40.7 | 173.6 | -71.7 | 174.6 | -165.9 | 163.9 | 0 | 111.8 | E567 E568 L569 M574 V575 | E567-K571 WeakPolarHBondContact O-CG 3.29Å; E567-K571 PolarHBondContact O-N 3.33Å; E567-K571 VanDerWaalsContact O-N 3.1Å; E568-K571 PolarHBondContact O-N 2.95Å; E568-K571 IonicContact OE1-NZ 2.66Å; E568-K571 PolarHBondContact OE1-NZ 2.85Å; L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 3.35Å; K571-M574 PolarHBondContact O-N 2.85Å; K571-V575 WeakPolarHBondContact O-CG2 3.49Å; K571-V575 PolarHBondContact O-N 3.23Å |
| 572 | V | 76.5 | Confident | 69.3 | Low | 96 Ų | 96 | 112 Ų | 112 | 58% | 0.582 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.4 | -42.6 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | E568 L569 M574 V575 K576 | E568-V572 WeakPolarHBondContact O-CG2 3.45Å; E568-V572 PolarHBondContact O-N 2.83Å; L569-V572 PolarHBondContact O-N 3.45Å; V572-M574 VanDerWaalsContact C-N 3.33Å; V572-M574 PolarHBondContact O-N 3.43Å; V572-V575 PolarHBondContact O-N 2.9Å; V572-K576 WeakPolarHBondContact O-CB 3.39Å; V572-K576 PolarHBondContact O-N 3.46Å |
| 573 | E | 75.2 | Confident | 69.4 | Low | 99 Ų | 99 | 114.7 Ų | 114.7 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.7 | -38.9 | 175.8 | -153.7 | 77 | -143 | 0 | 0 | 111.7 | L569 K576 N577 | L569-E573 PolarHBondContact O-N 3.39Å; E573-K576 PolarHBondContact O-N 2.79Å; E573-N577 PolarHBondContact O-N 3.25Å |
| 574 | M | 74.7 | Confident | 69.4 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | 174.7 | -109.7 | -169 | -73.4 | 0 | 0 | 113 | S570 K571 V572 R578 | S570-M574 PolarHBondContact O-N 3.41Å; S570-M574 VanDerWaalsContact O-N 3.15Å; K571-M574 PolarHBondContact O-N 2.85Å; V572-M574 VanDerWaalsContact C-N 3.33Å; V572-M574 PolarHBondContact O-N 3.43Å; M574-R578 WeakPolarHBondContact O-CB 3.49Å; M574-R578 PolarHBondContact O-N 2.96Å |
| 575 | V | 76.3 | Confident | 69.1 | Low | 94 Ų | 94 | 107.1 Ų | 107.1 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.8 | -39.4 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | K571 V572 R578 F579 | K571-V575 WeakPolarHBondContact O-CG2 3.49Å; K571-V575 PolarHBondContact O-N 3.23Å; V572-V575 PolarHBondContact O-N 2.9Å; V575-R578 PolarHBondContact O-N 3.45Å; V575-F579 WeakPolarHBondContact O-CB 3.45Å; V575-F579 PolarHBondContact O-N 3.36Å |
| 576 | K | 75.4 | Confident | 68.7 | Low | 112 Ų | 112 | 110 Ų | 110 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -48 | 174.8 | -171.7 | -174.8 | 171.7 | -163.8 | 0 | 111.8 | V572 E573 R578 F579 E580 | V572-K576 WeakPolarHBondContact O-CB 3.39Å; V572-K576 PolarHBondContact O-N 3.46Å; E573-K576 PolarHBondContact O-N 2.79Å; K576-R578 VanDerWaalsContact C-N 3.3Å; K576-R578 PolarHBondContact O-N 3.45Å; K576-F579 PolarHBondContact O-N 3.33Å; K576-F579 VanDerWaalsContact O-N 3.11Å; K576-E580 PolarHBondContact O-N 3.45Å |
| 577 | N | 74.3 | Confident | 67.8 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -36.2 | 175.6 | -80.9 | -11.7 | 0 | 0 | 0 | 112.4 | E573 I581 | E573-N577 PolarHBondContact O-N 3.25Å; N577-I581 WeakPolarHBondContact O-CD1 3.48Å; N577-I581 WeakPolarHBondContact O-CG1 3.42Å; N577-I581 PolarHBondContact O-N 3.22Å; N577-I581 VanDerWaalsContact O-N 3.08Å |
| 578 | R | 72.1 | Confident | 66.5 | Low | 192 Ų | 192 | 104.3 Ų | 104.3 | 73% | 0.725 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.4 | -36.1 | 173.4 | -87.8 | -178.5 | 162.6 | -180 | -4.2 | 112.8 | M574 V575 K576 M582 | M574-R578 WeakPolarHBondContact O-CB 3.49Å; M574-R578 PolarHBondContact O-N 2.96Å; V575-R578 PolarHBondContact O-N 3.45Å; K576-R578 VanDerWaalsContact C-N 3.3Å; K576-R578 PolarHBondContact O-N 3.45Å; R578-M582 WeakPolarHBondContact O-CB 3.29Å; R578-M582 PolarHBondContact O-N 2.88Å |
| 579 | F | 70.2 | Confident | 65.2 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 55% | 0.548 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.7 | -43.5 | 177.5 | -145.3 | -88.9 | 0 | 0 | 0 | 111.1 | V575 K576 I581 M582 E583 | V575-F579 WeakPolarHBondContact O-CB 3.45Å; V575-F579 PolarHBondContact O-N 3.36Å; K576-F579 PolarHBondContact O-N 3.33Å; K576-F579 VanDerWaalsContact O-N 3.11Å; F579-I581 VanDerWaalsContact C-N 3.34Å; F579-I581 PolarHBondContact O-N 2.76Å; F579-M582 PolarHBondContact O-N 3Å; F579-M582 VanDerWaalsContact O-N 3.15Å; F579-E583 WeakPolarHBondContact O-CB 3.38Å; F579-E583 PolarHBondContact O-N 3.07Å |
| 580 | E | 70.6 | Confident | 64 | Low | 101 Ų | 101 | 109 Ų | 109 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.7 | -38.9 | 174.4 | -81.9 | 177.5 | -178.4 | 0 | 0 | 112.2 | K576 S584 | K576-E580 PolarHBondContact O-N 3.45Å; E580-S584 WeakPolarHBondContact O-CB 3.44Å; E580-S584 PolarHBondContact O-N 2.93Å; E580-S584 PolarHBondContact O-OG 3.48Å |
| 581 | I | 68.6 | Low | 62.8 | Low | 117 Ų | 117 | 108.6 Ų | 108.6 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -38.8 | 174.3 | -68.4 | 165.7 | 0 | 0 | 0 | 111.4 | N577 F579 S584 S585 | N577-I581 WeakPolarHBondContact O-CD1 3.48Å; N577-I581 WeakPolarHBondContact O-CG1 3.42Å; N577-I581 PolarHBondContact O-N 3.22Å; N577-I581 VanDerWaalsContact O-N 3.08Å; F579-I581 VanDerWaalsContact C-N 3.34Å; F579-I581 PolarHBondContact O-N 2.76Å; I581-S584 PolarHBondContact O-N 3.49Å; I581-S585 PolarHBondContact O-N 3.35Å |
| 582 | M | 63.7 | Low | 61.1 | Low | 101 Ų | 101 | 112.8 Ų | 112.8 | 50% | 0.498 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.7 | -43 | 179.1 | -154.2 | -174.4 | -49.6 | 0 | 0 | 111.3 | R578 F579 S584 S585 L586 | R578-M582 WeakPolarHBondContact O-CB 3.29Å; R578-M582 PolarHBondContact O-N 2.88Å; F579-M582 PolarHBondContact O-N 3Å; F579-M582 VanDerWaalsContact O-N 3.15Å; M582-S584 VanDerWaalsContact C-N 3.32Å; M582-S584 PolarHBondContact O-N 3.16Å; M582-S585 PolarHBondContact O-N 2.77Å; M582-S585 VanDerWaalsContact O-N 3.1Å; M582-S585 PolarHBondContact O-OG 2.77Å; M582-L586 HydrophobicContact CG-CD1 4.2Å; M582-L586 WeakPolarHBondContact O-CD1 3.39Å; M582-L586 PolarHBondContact O-N 3.36Å |
| 583 | E | 60 | Low | 59.5 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.6 | -39.8 | 175.5 | -148.6 | 179 | -165.3 | 0 | 0 | 111.4 | F579 S585 L586 A587 | F579-E583 WeakPolarHBondContact O-CB 3.38Å; F579-E583 PolarHBondContact O-N 3.07Å; E583-S585 VanDerWaalsContact C-N 3.32Å; E583-S585 PolarHBondContact O-N 2.84Å; E583-L586 PolarHBondContact O-N 3.46Å; E583-A587 PolarHBondContact O-N 3.44Å |
| 584 | S | 57.1 | Low | 58.3 | Low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66 | -30.4 | 173.1 | -53.6 | 0 | 0 | 0 | 0 | 113.1 | E580 I581 M582 A587 | E580-S584 WeakPolarHBondContact O-CB 3.44Å; E580-S584 PolarHBondContact O-N 2.93Å; E580-S584 PolarHBondContact O-OG 3.48Å; I581-S584 PolarHBondContact O-N 3.49Å; M582-S584 VanDerWaalsContact C-N 3.32Å; M582-S584 PolarHBondContact O-N 3.16Å; S584-A587 CarbonylContact O-C 3.58Å |
| 585 | S | 54.3 | Low | 56.9 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 57% | 0.573 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.8 | -27.9 | 177.2 | 84.3 | 0 | 0 | 0 | 0 | 113.8 | I581 M582 E583 A587 G588 | I581-S585 PolarHBondContact O-N 3.35Å; M582-S585 PolarHBondContact O-N 2.77Å; M582-S585 VanDerWaalsContact O-N 3.1Å; M582-S585 PolarHBondContact O-OG 2.77Å; E583-S585 VanDerWaalsContact C-N 3.32Å; E583-S585 PolarHBondContact O-N 2.84Å; S585-A587 VanDerWaalsContact C-N 3.32Å; S585-G588 PolarHBondContact O-N 3.07Å |
| 586 | L | 50.4 | Low | 55.3 | Low | 147 Ų | 147 | 122.1 Ų | 122.1 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.1 | -26.9 | 169.4 | -94.6 | 118.5 | 0 | 0 | 0 | 111.6 | M582 E583 G588 | M582-L586 HydrophobicContact CG-CD1 4.2Å; M582-L586 WeakPolarHBondContact O-CD1 3.39Å; M582-L586 PolarHBondContact O-N 3.36Å; E583-L586 PolarHBondContact O-N 3.46Å; L586-G588 PolarHBondContact O-N 3.05Å |
| 587 | A | 49.2 | Very low | 53.7 | Low | 77 Ų | 77 | 126.9 Ų | 126.9 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -77.2 | 55.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E583 S584 S585 | E583-A587 PolarHBondContact O-N 3.44Å; S584-A587 CarbonylContact O-C 3.58Å; S585-A587 VanDerWaalsContact C-N 3.32Å |
| 588 | G | 40.8 | Very low | 52.2 | Low | 52 Ų | 52 | 132.6 Ų | 132.6 | 54% | 0.536 | 69% | 0.688 | S | S | . | * | trans | -59.9 | 144.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S585 L586 | S585-G588 PolarHBondContact O-N 3.07Å; L586-G588 PolarHBondContact O-N 3.05Å | ||
| 589 | S | 41.4 | Very low | 51 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -34.6 | 146.2 | -179.8 | 53.2 | 0 | 0 | 0 | 0 | 116.5 | G591 | S589-G591 PolarHBondContact O-N 3.28Š| ||
| 590 | E | 45.4 | Very low | 49.8 | Very low | 197 Ų | 197 | 130.2 Ų | 130.2 | 92% | 0.921 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 23.7 | -179.7 | -69.6 | 178 | 130 | 0 | 0 | 118.2 | ||
| 591 | G | 47.3 | Very low | 48.1 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -25.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S589 | S589-G591 PolarHBondContact O-N 3.28Š|
| 592 | E | 39.1 | Very low | 47.1 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | trans | -137.5 | 44.8 | -168.8 | -70.3 | -175.9 | 164.9 | 0 | 0 | 113.4 | S594 | E592-S594 PolarHBondContact O-N 2.9Å; E592-S594 VanDerWaalsContact O-N 3.12Å | ||
| 593 | K | 42.8 | Very low | 46.2 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -82.8 | 55.8 | 167.1 | -73.9 | -176.1 | 178.2 | 173.3 | 0 | 111.8 | ||||
| 594 | S | 50.3 | Low | 45.4 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -121.9 | 6.5 | -175.5 | -76.9 | 0 | 0 | 0 | 0 | 117.6 | E592 | E592-S594 PolarHBondContact O-N 2.9Å; E592-S594 VanDerWaalsContact O-N 3.12Å |
| 595 | Q | 45 | Very low | 44.8 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -132.9 | -8.3 | 175.6 | -116.9 | 103.4 | 20.3 | 0 | 0 | 118.4 | ||
| 596 | I | 43.8 | Very low | 44.2 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -110.1 | -12.7 | -175.2 | -61.3 | 179 | 0 | 0 | 0 | 113.7 | ||
| 597 | Y | 41 | Very low | 43.7 | Very low | 212 Ų | 212 | 148.9 Ų | 148.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 2.2 | -179.2 | -147.2 | -96.5 | 0 | 0 | 0 | 115.2 | ||
| 598 | Y | 42.9 | Very low | 43.3 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 23.7 | -178.9 | -80.4 | -75.6 | 0 | 0 | 0 | 114.6 | ||
| 599 | I | 48 | Very low | 43.5 | Very low | 124 Ų | 124 | 161.9 Ų | 161.9 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -98.5 | 1.6 | 175.7 | -64.8 | 178.7 | 0 | 0 | 0 | 113 | ||
| 600 | T | 43.4 | Very low | 43.7 | Very low | 143 Ų | 143 | 166.3 Ų | 166.3 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -136.3 | 64.4 | 170.6 | 32 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 601 | K | 35.7 | Very low | 43.6 | Very low | 261 Ų | 261 | 163.5 Ų | 163.5 | 100% | 1.135 | 81% | 0.805 | S | S | * | * | trans | -141.3 | 0 | 146.1 | -161.3 | 177.3 | -176.1 | -179.6 | 0 | 110.9 |
Retrieved 601 of 601 residues in 103 ms
(Link to these results)