| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.6 | Very low | 44.5 | Very low | 247 Ų | 247 | 174.5 Ų | 174.5 | 100% | 1.217 | 88% | 0.881 | S | S | * | * | 0 | 106.4 | 0 | -90.1 | 173.8 | 169.7 | 0 | 0 | 108 | |||||
| 2 | A | 38.4 | Very low | 46.6 | Very low | 105 Ų | 105 | 169.7 Ų | 169.7 | 87% | 0.868 | 86% | 0.858 | S | S | * | * | trans | -76.9 | 118.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | M4 | A2-M4 PolarHBondContact O-N 3.22Š| ||
| 3 | M | 39.5 | Very low | 49.2 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -80.4 | 109.2 | 163.6 | -101.5 | -173.2 | 163.2 | 0 | 0 | 107.6 | V5 | M3-V5 PolarHBondContact O-N 3.43Š| ||
| 4 | M | 41.8 | Very low | 51.2 | Low | 183 Ų | 183 | 154.1 Ų | 154.1 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -59.3 | 104.3 | 165.4 | -86.9 | -178.8 | 158.3 | 0 | 0 | 108.8 | A2 L6 | A2-M4 PolarHBondContact O-N 3.22Å; M4-L6 PolarHBondContact O-N 2.78Å; M4-L6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | V | 43.5 | Very low | 53.2 | Low | 135 Ų | 135 | 151.9 Ų | 151.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -72.6 | 98.7 | 162.5 | 178.2 | 0 | 0 | 0 | 0 | 106.3 | M3 | M3-V5 PolarHBondContact O-N 3.43Š| ||
| 6 | L | 39.6 | Very low | 55.4 | Low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -60.2 | 130.7 | 164.5 | -88.3 | 146.5 | 0 | 0 | 0 | 108.1 | M4 R8 | M4-L6 PolarHBondContact O-N 2.78Å; M4-L6 VanDerWaalsContact O-N 3.15Å; L6-R8 PolarHBondContact O-N 3.32Å | ||
| 7 | P | 44.9 | Very low | 57.2 | Low | 109 Ų | 109 | 144.7 Ų | 144.7 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -62.2 | 128 | 176.1 | 25 | -29.8 | 0 | 0 | 0 | 108.6 | E9 | P7-E9 PolarHBondContact O-N 3.49Š| ||
| 8 | R | 41.2 | Very low | 58.9 | Low | 242 Ų | 242 | 137.9 Ų | 137.9 | 91% | 0.913 | 70% | 0.703 | S | S | * | * | trans | -59.6 | 104.7 | 168.7 | -109.7 | 177.3 | 170.5 | 178 | -3.1 | 107 | L6 E10 | L6-R8 PolarHBondContact O-N 3.32Å; R8-E10 PolarHBondContact O-N 3.05Å | ||
| 9 | E | 46.5 | Very low | 60.6 | Low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 70% | 0.698 | S | S | * | * | trans | -60.4 | 107.2 | 161.1 | -71.3 | -175.3 | 165.8 | 0 | 0 | 106.9 | P7 K11 | P7-E9 PolarHBondContact O-N 3.49Å; E9-K11 PolarHBondContact O-N 3.12Å | ||
| 10 | E | 54.3 | Low | 62.1 | Low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -59.8 | 105.7 | 167.1 | -72.4 | -179.8 | 161.5 | 0 | 0 | 106.8 | R8 L12 | R8-E10 PolarHBondContact O-N 3.05Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.4Å | ||
| 11 | K | 61.5 | Low | 63.5 | Low | 203 Ų | 203 | 126.3 Ų | 126.3 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | trans | -65.2 | 96.7 | 175.6 | -73.2 | -177.6 | 178.5 | -178.7 | 0 | 107.6 | E9 S13 | E9-K11 PolarHBondContact O-N 3.12Å; K11-S13 PolarHBondContact O-N 3.27Å | ||
| 12 | L | 69.4 | Low | 66 | Low | 116 Ų | 116 | 120 Ų | 120 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | trans | -48.9 | 129.1 | 168.8 | -78.9 | 140.5 | 0 | 0 | 0 | 108.9 | E10 E16 I17 | E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.4Å; L12-E16 HydrophobicContact CD2-CB 4.01Å; L12-I17 HydrophobicContact CB-CD1 4.17Å; L12-I17 HydrophobicContact CB-CG1 3.79Å | ||
| 13 | S | 80.7 | Confident | 68.6 | Low | 49 Ų | 49 | 117.9 Ų | 117.9 | 34% | 0.343 | 60% | 0.603 | S | S | . | * | trans | -64.5 | 151.9 | 175.6 | 65.2 | 0 | 0 | 0 | 0 | 110 | K11 D15 E16 I17 | K11-S13 PolarHBondContact O-N 3.27Å; S13-D15 PolarHBondContact O-N 2.94Å; S13-D15 VanDerWaalsContact O-N 3.15Å; S13-E16 PolarHBondContact N-OE2 2.94Å; S13-E16 PolarHBondContact O-N 3.19Å; S13-E16 WeakPolarHBondContact OG-CB 3.28Å; S13-E16 WeakPolarHBondContact OG-CG 3.11Å; S13-E16 PolarHBondContact OG-N 3Å; S13-E16 PolarHBondContact OG-OE2 3.28Å; S13-I17 WeakPolarHBondContact O-CG1 3.3Å; S13-I17 PolarHBondContact O-N 3.4Å | ||
| 14 | Q | 77.1 | Confident | 71.1 | Confident | 72 Ų | 72 | 112.9 Ų | 112.9 | 34% | 0.336 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -54.8 | -35.1 | 178.5 | -178.6 | 175 | -10 | 0 | 0 | 111.8 | I17 V18 S82 | Q14-I17 PolarHBondContact O-N 3.4Å; Q14-V18 VanDerWaalsContact O-CG2 3.29Å; Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 2.85Å; Q14-S82 PolarHBondContact NE2-O 2.62Å |
| 15 | D | 81.6 | Confident | 73.5 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 65% | 0.652 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.5 | -39.9 | 177.9 | -67.5 | -24.4 | 0 | 0 | 0 | 112.2 | S13 I17 V18 L19 | S13-D15 PolarHBondContact O-N 2.94Å; S13-D15 VanDerWaalsContact O-N 3.15Å; D15-I17 VanDerWaalsContact C-N 3.34Å; D15-V18 PolarHBondContact O-N 3.2Å; D15-L19 WeakPolarHBondContact O-CB 3.43Å; D15-L19 VanDerWaalsContact O-CG 3.25Å; D15-L19 WeakPolarHBondContact O-CG 3.32Å; D15-L19 PolarHBondContact O-N 3.45Å |
| 16 | E | 87.8 | Confident | 75.9 | Confident | 102 Ų | 102 | 105.4 Ų | 105.4 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 173.6 | -74.1 | 160.5 | 169.6 | 0 | 0 | 111.8 | L12 S13 L19 G20 | L12-E16 HydrophobicContact CD2-CB 4.01Å; S13-E16 PolarHBondContact N-OE2 2.94Å; S13-E16 PolarHBondContact O-N 3.19Å; S13-E16 WeakPolarHBondContact OG-CB 3.28Å; S13-E16 WeakPolarHBondContact OG-CG 3.11Å; S13-E16 PolarHBondContact OG-N 3Å; S13-E16 PolarHBondContact OG-OE2 3.28Å; E16-L19 PolarHBondContact O-N 3.45Å; E16-G20 PolarHBondContact O-N 3.05Å |
| 17 | I | 86.1 | Confident | 78.4 | Confident | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.2 | -64.3 | 169.7 | 0 | 0 | 0 | 110.2 | L12 S13 Q14 D15 G20 T21 I78 | L12-I17 HydrophobicContact CB-CD1 4.17Å; L12-I17 HydrophobicContact CB-CG1 3.79Å; S13-I17 WeakPolarHBondContact O-CG1 3.3Å; S13-I17 PolarHBondContact O-N 3.4Å; Q14-I17 PolarHBondContact O-N 3.4Å; D15-I17 VanDerWaalsContact C-N 3.34Å; I17-G20 PolarHBondContact O-N 3.07Å; I17-T21 VanDerWaalsContact O-CB 3.29Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 PolarHBondContact O-N 2.74Å; I17-T21 PolarHBondContact O-OG1 3.27Å; I17-I78 HydrophobicContact CG2-CG2 4.45Å |
| 18 | V | 88.4 | Confident | 80.7 | Confident | 23 Ų | 23 | 96.6 Ų | 96.6 | 14% | 0.139 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 178.8 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | Q14 D15 T21 K22 L79 S82 | Q14-V18 VanDerWaalsContact O-CG2 3.29Å; Q14-V18 WeakPolarHBondContact O-CG2 3.47Å; Q14-V18 PolarHBondContact O-N 2.85Å; D15-V18 PolarHBondContact O-N 3.2Å; V18-T21 PolarHBondContact O-N 3.01Å; V18-K22 HydrophobicContact CG1-CD 4.34Å; V18-K22 WeakPolarHBondContact O-CG 3.36Å; V18-K22 PolarHBondContact O-N 3.1Å; V18-L79 HydrophobicContact CB-CD2 4.42Å; V18-L79 HydrophobicContact CG1-CD2 3.82Å; V18-L79 HydrophobicContact CG2-CD2 4.46Å; V18-S82 WeakPolarHBondContact CG2-OG 3.35Å |
| 19 | L | 89.9 | Confident | 83.1 | Confident | 117 Ų | 117 | 89.3 Ų | 89.3 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.5 | -45.2 | 176.7 | -74.3 | 169.1 | 0 | 0 | 0 | 111.5 | D15 E16 T21 K22 A23 | D15-L19 WeakPolarHBondContact O-CB 3.43Å; D15-L19 VanDerWaalsContact O-CG 3.25Å; D15-L19 WeakPolarHBondContact O-CG 3.32Å; D15-L19 PolarHBondContact O-N 3.45Å; E16-L19 PolarHBondContact O-N 3.45Å; L19-T21 PolarHBondContact O-N 3.11Å; L19-K22 PolarHBondContact O-N 2.72Å; L19-A23 PolarHBondContact O-N 3.46Å |
| 20 | G | 91.1 | Very high | 85.4 | Confident | 36 Ų | 36 | 84.6 Ų | 84.6 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E16 I17 K22 A23 V24 | E16-G20 PolarHBondContact O-N 3.05Å; I17-G20 PolarHBondContact O-N 3.07Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.27Å; G20-A23 PolarHBondContact O-N 2.96Å; G20-V24 WeakPolarHBondContact O-CG2 3.35Å; G20-V24 PolarHBondContact O-N 2.74Å |
| 21 | T | 91.1 | Very high | 87.2 | Confident | 17 Ų | 17 | 79 Ų | 79 | 10% | 0.104 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 178 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | I17 V18 L19 V24 I25 A75 I78 L79 | I17-T21 VanDerWaalsContact O-CB 3.29Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 PolarHBondContact O-N 2.74Å; I17-T21 PolarHBondContact O-OG1 3.27Å; V18-T21 PolarHBondContact O-N 3.01Å; L19-T21 PolarHBondContact O-N 3.11Å; T21-V24 PolarHBondContact O-N 3.05Å; T21-I25 HydrophobicContact CG2-CD1 4.26Å; T21-I25 VanDerWaalsContact O-CG1 3.3Å; T21-I25 WeakPolarHBondContact O-CG1 3.4Å; T21-I25 PolarHBondContact O-N 3.12Å; T21-A75 HydrophobicContact CG2-CB 3.78Å; T21-A75 WeakPolarHBondContact CG2-O 3.25Å; T21-I78 HydrophobicContact CG2-CB 4.23Å; T21-I78 HydrophobicContact CG2-CG2 4.12Å; T21-L79 HydrophobicContact CG2-CD2 4.23Å; T21-L79 HydrophobicContact CG2-CG 3.99Å |
| 22 | K | 91.6 | Very high | 88.6 | Confident | 113 Ų | 113 | 72.2 Ų | 72.2 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 174.5 | -74.5 | 174 | -178.8 | 177.1 | 0 | 112.6 | V18 L19 G20 V24 I25 Q26 L79 | V18-K22 HydrophobicContact CG1-CD 4.34Å; V18-K22 WeakPolarHBondContact O-CG 3.36Å; V18-K22 PolarHBondContact O-N 3.1Å; L19-K22 PolarHBondContact O-N 2.72Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.27Å; K22-V24 VanDerWaalsContact C-N 3.35Å; K22-I25 PolarHBondContact O-N 3.03Å; K22-Q26 PolarHBondContact O-N 3.01Å; K22-L79 HydrophobicContact CG-CD1 4.2Å; K22-L79 HydrophobicContact CG-CD2 4.16Å |
| 23 | A | 92.4 | Very high | 89.6 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 51% | 0.512 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L19 G20 Q26 G27 | L19-A23 PolarHBondContact O-N 3.46Å; G20-A23 PolarHBondContact O-N 2.96Å; A23-Q26 PolarHBondContact O-N 3.49Å; A23-G27 PolarHBondContact O-N 2.93Å |
| 24 | V | 93.2 | Very high | 90 | Very high | 79 Ų | 79 | 71.6 Ų | 71.6 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | G20 T21 K22 Q26 G27 L28 | G20-V24 WeakPolarHBondContact O-CG2 3.35Å; G20-V24 PolarHBondContact O-N 2.74Å; T21-V24 PolarHBondContact O-N 3.05Å; K22-V24 VanDerWaalsContact C-N 3.35Å; V24-Q26 PolarHBondContact O-N 3.13Å; V24-G27 PolarHBondContact O-N 3.07Å; V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.19Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.23Å; V24-L28 PolarHBondContact O-N 3.27Å |
| 25 | I | 92.7 | Very high | 90.5 | Very high | 22 Ų | 22 | 70 Ų | 70 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 175.3 | -71.6 | 164.7 | 0 | 0 | 0 | 110.3 | T21 K22 G27 L28 E29 L72 A75 L79 | T21-I25 HydrophobicContact CG2-CD1 4.26Å; T21-I25 VanDerWaalsContact O-CG1 3.3Å; T21-I25 WeakPolarHBondContact O-CG1 3.4Å; T21-I25 PolarHBondContact O-N 3.12Å; K22-I25 PolarHBondContact O-N 3.03Å; I25-G27 VanDerWaalsContact C-N 3.31Å; I25-G27 PolarHBondContact O-N 3.4Å; I25-L28 PolarHBondContact O-N 3.37Å; I25-E29 HydrophobicContact CG2-CG 4.24Å; I25-E29 WeakPolarHBondContact O-CB 2.96Å; I25-E29 VanDerWaalsContact O-CG 3.3Å; I25-E29 WeakPolarHBondContact O-CG 3.21Å; I25-E29 PolarHBondContact O-N 3.49Å; I25-L72 HydrophobicContact CB-CD2 4.36Å; I25-L72 HydrophobicContact CG1-CD2 4.41Å; I25-L72 HydrophobicContact CG2-CD2 4Å; I25-A75 HydrophobicContact CD1-CB 3.82Å; I25-A75 HydrophobicContact CG1-CB 3.49Å; I25-A75 VanDerWaalsContact CG1-CB 3.49Å; I25-L79 HydrophobicContact CD1-CD1 3.42Å; I25-L79 VanDerWaalsContact CD1-CD1 3.42Å; I25-L79 HydrophobicContact CD1-CG 4.25Å |
| 26 | Q | 92.7 | Very high | 90.8 | Very high | 139 Ų | 139 | 69.9 Ų | 69.9 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.5 | -43.2 | 179.9 | -170.2 | 176.3 | 7 | 0 | 0 | 111.9 | K22 A23 V24 E29 T30 | K22-Q26 PolarHBondContact O-N 3.01Å; A23-Q26 PolarHBondContact O-N 3.49Å; V24-Q26 PolarHBondContact O-N 3.13Å; Q26-E29 PolarHBondContact O-N 3.01Å; Q26-T30 WeakPolarHBondContact O-CG2 3.21Å; Q26-T30 PolarHBondContact O-N 3.38Å; Q26-T30 VanDerWaalsContact O-N 3.1Å; Q26-T30 PolarHBondContact O-OG1 3.24Å |
| 27 | G | 93.3 | Very high | 90.8 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A23 V24 I25 T30 L31 | A23-G27 PolarHBondContact O-N 2.93Å; V24-G27 PolarHBondContact O-N 3.07Å; I25-G27 VanDerWaalsContact C-N 3.31Å; I25-G27 PolarHBondContact O-N 3.4Å; G27-T30 WeakPolarHBondContact CA-OG1 3.46Å; G27-T30 PolarHBondContact O-OG1 3.15Å; G27-L31 WeakPolarHBondContact O-CB 3.25Å; G27-L31 PolarHBondContact O-N 3.08Å; G27-L31 VanDerWaalsContact O-N 3.07Å |
| 28 | L | 92.6 | Very high | 90.8 | Very high | 38 Ų | 38 | 69.3 Ų | 69.3 | 20% | 0.199 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.7 | -33.7 | 174.9 | -73.4 | 177 | 0 | 0 | 0 | 111.7 | V24 I25 L31 R32 I68 L72 | V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.19Å; V24-L28 WeakPolarHBondContact O-CB 3.48Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.23Å; V24-L28 PolarHBondContact O-N 3.27Å; I25-L28 PolarHBondContact O-N 3.37Å; L28-L31 PolarHBondContact O-N 3.33Å; L28-R32 VanDerWaalsContact O-CB 3.25Å; L28-R32 WeakPolarHBondContact O-CB 3.2Å; L28-R32 PolarHBondContact O-N 2.83Å; L28-I68 HydrophobicContact CB-CG2 4.18Å; L28-I68 HydrophobicContact CD2-CG1 4.5Å; L28-I68 HydrophobicContact CD2-CG2 4.26Å; L28-I68 WeakPolarHBondContact O-CG2 3.34Å; L28-L72 HydrophobicContact CB-CD1 4.48Å; L28-L72 HydrophobicContact CB-CD2 3.57Å; L28-L72 HydrophobicContact CB-CG 3.84Å; L28-L72 HydrophobicContact CD1-CD2 4.23Å; L28-L72 HydrophobicContact CD1-CG 4.25Å |
| 29 | E | 92.1 | Very high | 90.5 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.7 | -38 | 175.5 | -71.2 | -162.2 | 125.2 | 0 | 0 | 112.9 | I25 Q26 R32 G33 L72 | I25-E29 HydrophobicContact CG2-CG 4.24Å; I25-E29 WeakPolarHBondContact O-CB 2.96Å; I25-E29 VanDerWaalsContact O-CG 3.3Å; I25-E29 WeakPolarHBondContact O-CG 3.21Å; I25-E29 PolarHBondContact O-N 3.49Å; Q26-E29 PolarHBondContact O-N 3.01Å; E29-R32 IonicContact OE1-CZ 3.36Å; E29-R32 IonicContact OE1-NH1 3.23Å; E29-R32 IonicContact OE1-NH2 3.64Å; E29-R32 PolarHBondContact OE1-NH2 3.36Å; E29-G33 PolarHBondContact O-N 2.87Å; E29-L72 HydrophobicContact CG-CD1 4.32Å; E29-L72 HydrophobicContact CG-CD2 3.85Å |
| 30 | T | 93.5 | Very high | 90 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 172.4 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | Q26 G27 R32 G33 E34 | Q26-T30 WeakPolarHBondContact O-CG2 3.21Å; Q26-T30 PolarHBondContact O-N 3.38Å; Q26-T30 VanDerWaalsContact O-N 3.1Å; Q26-T30 PolarHBondContact O-OG1 3.24Å; G27-T30 WeakPolarHBondContact CA-OG1 3.46Å; G27-T30 PolarHBondContact O-OG1 3.15Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.22Å; T30-G33 WeakPolarHBondContact O-CA 3.41Å; T30-G33 PolarHBondContact O-N 3.35Å; T30-E34 PolarHBondContact O-N 3Å |
| 31 | L | 92.2 | Very high | 89.4 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 178.3 | -169.1 | 67.7 | 0 | 0 | 0 | 112.1 | G27 L28 G33 E34 H35 I68 | G27-L31 WeakPolarHBondContact O-CB 3.25Å; G27-L31 PolarHBondContact O-N 3.08Å; G27-L31 VanDerWaalsContact O-N 3.07Å; L28-L31 PolarHBondContact O-N 3.33Å; L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.01Å; L31-E34 PolarHBondContact O-N 2.75Å; L31-H35 WeakPolarHBondContact O-CB 3.49Å; L31-H35 PolarHBondContact O-CD2 2.92Å; L31-H35 VanDerWaalsContact O-CD2 3.23Å; L31-H35 PolarHBondContact O-N 2.88Å; L31-I68 HydrophobicContact CB-CD1 4.29Å; L31-I68 HydrophobicContact CD2-CD1 3.65Å; L31-I68 HydrophobicContact CD2-CG1 4.05Å; L31-I68 HydrophobicContact CG-CD1 3.7Å |
| 32 | R | 91.8 | Very high | 88.4 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 171.9 | -174.4 | -175.3 | 64.5 | -164.2 | -9.2 | 111.4 | L28 E29 T30 R36 L65 I68 | L28-R32 VanDerWaalsContact O-CB 3.25Å; L28-R32 WeakPolarHBondContact O-CB 3.2Å; L28-R32 PolarHBondContact O-N 2.83Å; E29-R32 IonicContact OE1-CZ 3.36Å; E29-R32 IonicContact OE1-NH1 3.23Å; E29-R32 IonicContact OE1-NH2 3.64Å; E29-R32 PolarHBondContact OE1-NH2 3.36Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.22Å; R32-R36 WeakPolarHBondContact O-CB 3.49Å; R32-R36 WeakPolarHBondContact O-CG 3.46Å; R32-R36 PolarHBondContact O-N 3.14Å; R32-L65 HydrophobicContact CG-CD2 4.07Å; R32-I68 HydrophobicContact CB-CG2 3.85Å; R32-I68 HydrophobicContact CG-CG2 4.49Å |
| 33 | G | 89.1 | Confident | 87.2 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 40% | 0.402 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E29 T30 L31 R36 A37 | E29-G33 PolarHBondContact O-N 2.87Å; T30-G33 WeakPolarHBondContact O-CA 3.41Å; T30-G33 PolarHBondContact O-N 3.35Å; L31-G33 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.01Å; G33-R36 PolarHBondContact O-N 2.92Å; G33-A37 WeakPolarHBondContact O-CB 3.43Å; G33-A37 PolarHBondContact O-N 3.31Å |
| 34 | E | 90.4 | Very high | 85.9 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 177.3 | -69.1 | 172.4 | -175 | 0 | 0 | 112 | T30 L31 R36 A37 L38 | T30-E34 PolarHBondContact O-N 3Å; L31-E34 PolarHBondContact O-N 2.75Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.48Å; E34-A37 PolarHBondContact O-N 2.95Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3.48Å |
| 35 | H | 88 | Confident | 84.2 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 17% | 0.171 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.2 | -32.9 | 179.1 | -78.6 | -134.3 | 0 | 0 | 0 | 112.5 | L31 L39 L61 S64 L65 | L31-H35 WeakPolarHBondContact O-CB 3.49Å; L31-H35 PolarHBondContact O-CD2 2.92Å; L31-H35 VanDerWaalsContact O-CD2 3.23Å; L31-H35 PolarHBondContact O-N 2.88Å; H35-L39 VanDerWaalsContact O-CB 3.23Å; H35-L39 WeakPolarHBondContact O-CB 3.31Å; H35-L39 PolarHBondContact O-N 3.42Å; H35-L39 VanDerWaalsContact O-N 3.09Å; H35-L61 HydrophobicContact CB-CD2 4.41Å; H35-S64 PolarHBondContact CE1-OG 3.22Å; H35-S64 VanDerWaalsContact CE1-OG 3.27Å; H35-S64 PolarHBondContact ND1-OG 3.33Å; H35-L65 HydrophobicContact CB-CD1 4.5Å; H35-L65 HydrophobicContact CB-CD2 3.53Å; H35-L65 HydrophobicContact CB-CG 3.86Å |
| 36 | R | 87.8 | Confident | 82.1 | Confident | 121 Ų | 121 | 80.1 Ų | 80.1 | 46% | 0.457 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 171.3 | -78.8 | -177.2 | -177.4 | 165.1 | 2 | 112.2 | R32 G33 E34 L38 L39 A40 L65 E69 | R32-R36 WeakPolarHBondContact O-CB 3.49Å; R32-R36 WeakPolarHBondContact O-CG 3.46Å; R32-R36 PolarHBondContact O-N 3.14Å; G33-R36 PolarHBondContact O-N 2.92Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.48Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-L39 PolarHBondContact O-N 2.98Å; R36-A40 PolarHBondContact O-N 3.18Å; R36-L65 HydrophobicContact CG-CD1 4.14Å; R36-L65 HydrophobicContact CG-CD2 3.96Å; R36-E69 IonicContact CZ-OE1 3.94Å; R36-E69 IonicContact NH2-OE1 3.13Å; R36-E69 PolarHBondContact NH2-OE1 3.44Å |
| 37 | A | 87.2 | Confident | 80.1 | Confident | 64 Ų | 64 | 79 Ų | 79 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G33 E34 P41 | G33-A37 WeakPolarHBondContact O-CB 3.43Å; G33-A37 PolarHBondContact O-N 3.31Å; E34-A37 PolarHBondContact O-N 2.95Å; A37-P41 WeakPolarHBondContact O-CD 3.38Å |
| 38 | L | 85.1 | Confident | 78.1 | Confident | 104 Ų | 104 | 80.2 Ų | 80.2 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.1 | -29.3 | 174.9 | -69.2 | 173.6 | 0 | 0 | 0 | 113.2 | E34 R36 L61 | E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3.48Å; R36-L38 VanDerWaalsContact C-N 3.34Å; L38-L61 HydrophobicContact CB-CD1 4.11Å; L38-L61 HydrophobicContact CB-CD2 4.31Å; L38-L61 HydrophobicContact CD1-CD2 4.46Å |
| 39 | L | 83.1 | Confident | 76.1 | Confident | 24 Ų | 24 | 87.7 Ų | 87.7 | 13% | 0.126 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -81.7 | -28.8 | 179.5 | -174.7 | 146.4 | 0 | 0 | 0 | 112.8 | H35 R36 L42 V43 L61 R62 L65 | H35-L39 VanDerWaalsContact O-CB 3.23Å; H35-L39 WeakPolarHBondContact O-CB 3.31Å; H35-L39 PolarHBondContact O-N 3.42Å; H35-L39 VanDerWaalsContact O-N 3.09Å; R36-L39 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 3.29Å; L39-V43 HydrophobicContact CD2-CB 4.38Å; L39-V43 HydrophobicContact CD2-CG2 3.59Å; L39-V43 HydrophobicContact CG-CG2 3.97Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.39Å; L39-L61 HydrophobicContact CD1-CB 4.06Å; L39-R62 HydrophobicContact CD1-CG 3.56Å; L39-L65 HydrophobicContact CD1-CD1 3.91Å |
| 40 | A | 79.1 | Confident | 74.3 | Confident | 61 Ų | 61 | 87.6 Ų | 87.6 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R36 A44 | R36-A40 PolarHBondContact O-N 3.18Å; A40-A44 PolarHBondContact O-N 3.08Å |
| 41 | P | 78.3 | Confident | 72.7 | Confident | 95 Ų | 95 | 89.8 Ų | 89.8 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69 | -31.2 | 175.4 | -19.9 | 32.1 | 0 | 0 | 0 | 113.6 | A37 V43 | A37-P41 WeakPolarHBondContact O-CD 3.38Å; P41-V43 VanDerWaalsContact C-N 3.27Å; P41-V43 PolarHBondContact O-N 2.9Å |
| 42 | L | 70.6 | Confident | 70.9 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 38% | 0.382 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.8 | -9.3 | -177.7 | -65.3 | 173.9 | 0 | 0 | 0 | 113.6 | L39 R57 L61 | L39-L42 PolarHBondContact O-N 3.29Å; L42-R57 HydrophobicContact CD1-CB 4.36Å; L42-L61 HydrophobicContact CD1-CD1 3.76Å |
| 43 | V | 65.3 | Low | 69.6 | Low | 73 Ų | 73 | 90.8 Ų | 90.8 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -113.5 | -13.8 | -179.1 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | L39 P41 | L39-V43 HydrophobicContact CD2-CB 4.38Å; L39-V43 HydrophobicContact CD2-CG2 3.59Å; L39-V43 HydrophobicContact CG-CG2 3.97Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.39Å; P41-V43 VanDerWaalsContact C-N 3.27Å; P41-V43 PolarHBondContact O-N 2.9Å |
| 44 | A | 65.8 | Low | 68.6 | Low | 53 Ų | 53 | 90.5 Ų | 90.5 | 44% | 0.438 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -66.1 | 137.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | A40 E46 | A40-A44 PolarHBondContact O-N 3.08Å; A44-E46 VanDerWaalsContact C-N 3.3Å; A44-E46 PolarHBondContact O-N 3.06Å |
| 45 | P | 56.9 | Low | 67.9 | Low | 137 Ų | 137 | 92.2 Ų | 92.2 | 89% | 0.89 | 56% | 0.558 | S | S | * | * | trans | -84.6 | 71.2 | -178.6 | 35.1 | -32.9 | 0 | 0 | 0 | 109.8 | ||||
| 46 | E | 49.4 | Very low | 67.4 | Low | 180 Ų | 180 | 97.7 Ų | 97.7 | 84% | 0.841 | 58% | 0.584 | S | S | * | * | trans | -101 | 121.3 | 168.4 | -66.8 | -145.5 | 162.4 | 0 | 0 | 110.9 | A44 G48 | A44-E46 VanDerWaalsContact C-N 3.3Å; A44-E46 PolarHBondContact O-N 3.06Å; E46-G48 PolarHBondContact O-N 3.49Å; E46-G48 VanDerWaalsContact O-N 3.12Å | ||
| 47 | A | 49.7 | Very low | 67 | Low | 115 Ų | 115 | 98.3 Ų | 98.3 | 95% | 0.95 | 59% | 0.586 | S | S | * | * | trans | -70.1 | 97.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 48 | G | 51.8 | Low | 66.8 | Low | 62 Ų | 62 | 96 Ų | 96 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 179.2 | 106.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E46 | E46-G48 PolarHBondContact O-N 3.49Å; E46-G48 VanDerWaalsContact O-N 3.12Å |
| 49 | E | 50.8 | Low | 66.8 | Low | 196 Ų | 196 | 96.2 Ų | 96.2 | 92% | 0.916 | 57% | 0.567 | S | S | * | * | trans | 32.8 | 88.6 | 170.3 | -61.4 | -172.5 | 172.4 | 0 | 0 | 116.1 | E51 | E49-E51 PolarHBondContact O-N 3.41Š| ||
| 50 | A | 54.6 | Low | 67 | Low | 88 Ų | 88 | 101 Ų | 101 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -61.4 | 106.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 51 | E | 59.1 | Low | 67.4 | Low | 126 Ų | 126 | 99.2 Ų | 99.2 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | trans | -45 | 125.6 | 168 | -87.9 | -104.9 | 149.2 | 0 | 0 | 110.3 | E49 G53 S54 R57 | E49-E51 PolarHBondContact O-N 3.41Å; E51-G53 PolarHBondContact O-N 2.94Å; E51-G53 VanDerWaalsContact O-N 3.12Å; E51-S54 WeakPolarHBondContact O-CB 3.47Å; E51-S54 PolarHBondContact O-N 3.43Å; E51-S54 PolarHBondContact O-OG 2.97Å; E51-R57 IonicContact OE2-NH1 3.38Å | ||
| 52 | P | 55.2 | Low | 67.8 | Low | 121 Ų | 121 | 100.4 Ų | 100.4 | 79% | 0.786 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 118 | 175.7 | 21.6 | -28.4 | 0 | 0 | 0 | 109.3 | ||
| 53 | G | 64.4 | Low | 68.8 | Low | 24 Ų | 24 | 105.8 Ų | 105.8 | 25% | 0.247 | 58% | 0.581 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 106.8 | -6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | E51 Q55 E56 R57 | E51-G53 PolarHBondContact O-N 2.94Å; E51-G53 VanDerWaalsContact O-N 3.12Å; G53-Q55 VanDerWaalsContact C-N 3.3Å; G53-Q55 PolarHBondContact O-N 3.03Å; G53-E56 PolarHBondContact O-N 3.41Å; G53-R57 VanDerWaalsContact O-CG 3.3Å; G53-R57 WeakPolarHBondContact O-CG 3.34Å; G53-R57 PolarHBondContact O-N 3.2Å; G53-R57 VanDerWaalsContact O-N 3.08Å |
| 54 | S | 68.7 | Low | 70 | Confident | 32 Ų | 32 | 104 Ų | 104 | 22% | 0.224 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -57.9 | -38.6 | 173.4 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | E51 R57 C58 | E51-S54 WeakPolarHBondContact O-CB 3.47Å; E51-S54 PolarHBondContact O-N 3.43Å; E51-S54 PolarHBondContact O-OG 2.97Å; S54-R57 PolarHBondContact O-N 3.34Å; S54-C58 WeakPolarHBondContact O-CB 3.5Å; S54-C58 PolarHBondContact O-N 2.88Å |
| 55 | Q | 74.8 | Confident | 71.2 | Confident | 151 Ų | 151 | 102.2 Ų | 102.2 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.3 | -39 | 179 | -170 | 154.7 | -2.1 | 0 | 0 | 112.9 | G53 C58 I59 | G53-Q55 VanDerWaalsContact C-N 3.3Å; G53-Q55 PolarHBondContact O-N 3.03Å; Q55-C58 PolarHBondContact O-N 3.38Å; Q55-I59 HydrophobicContact CG-CD1 4.42Å; Q55-I59 WeakPolarHBondContact O-CG1 3.41Å; Q55-I59 PolarHBondContact O-N 3.04Å |
| 56 | E | 78.8 | Confident | 72.8 | Confident | 151 Ų | 151 | 102 Ų | 102 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 175.2 | -65.3 | -179.6 | 171.2 | 0 | 0 | 111.5 | G53 C58 I59 L60 | G53-E56 PolarHBondContact O-N 3.41Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 3.48Å; E56-I59 PolarHBondContact O-N 2.97Å; E56-L60 PolarHBondContact O-N 3.02Å |
| 57 | R | 79.6 | Confident | 74.9 | Confident | 134 Ų | 134 | 96.6 Ų | 96.6 | 51% | 0.506 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 173.3 | -69.1 | 169.9 | -173.5 | 143.6 | 2 | 111.8 | L42 E51 G53 S54 L60 L61 | L42-R57 HydrophobicContact CD1-CB 4.36Å; E51-R57 IonicContact OE2-NH1 3.38Å; G53-R57 VanDerWaalsContact O-CG 3.3Å; G53-R57 WeakPolarHBondContact O-CG 3.34Å; G53-R57 PolarHBondContact O-N 3.2Å; G53-R57 VanDerWaalsContact O-N 3.08Å; S54-R57 PolarHBondContact O-N 3.34Å; R57-L60 PolarHBondContact O-N 2.96Å; R57-L61 WeakPolarHBondContact O-CB 3.4Å; R57-L61 WeakPolarHBondContact O-CG 3.49Å; R57-L61 PolarHBondContact O-N 3.33Å |
| 58 | C | 82.4 | Confident | 76.9 | Confident | 17 Ų | 17 | 91.6 Ų | 91.6 | 12% | 0.115 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.2 | -169 | 0 | 0 | 0 | 0 | 112 | S54 Q55 E56 L61 R62 | S54-C58 WeakPolarHBondContact O-CB 3.5Å; S54-C58 PolarHBondContact O-N 2.88Å; Q55-C58 PolarHBondContact O-N 3.38Å; E56-C58 VanDerWaalsContact C-N 3.34Å; E56-C58 PolarHBondContact O-N 3.48Å; C58-L61 PolarHBondContact O-N 2.9Å; C58-R62 VanDerWaalsContact O-CG 3.29Å; C58-R62 WeakPolarHBondContact O-CG 3.31Å; C58-R62 PolarHBondContact O-N 3Å |
| 59 | I | 85.4 | Confident | 78.8 | Confident | 107 Ų | 107 | 93 Ų | 93 | 55% | 0.549 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176 | -67.3 | 164 | 0 | 0 | 0 | 110.9 | Q55 E56 R62 R63 | Q55-I59 HydrophobicContact CG-CD1 4.42Å; Q55-I59 WeakPolarHBondContact O-CG1 3.41Å; Q55-I59 PolarHBondContact O-N 3.04Å; E56-I59 PolarHBondContact O-N 2.97Å; I59-R62 PolarHBondContact O-N 2.92Å; I59-R63 WeakPolarHBondContact O-CB 3.41Å; I59-R63 PolarHBondContact O-N 3.39Å |
| 60 | L | 87.2 | Confident | 80.9 | Confident | 126 Ų | 126 | 88.8 Ų | 88.8 | 66% | 0.66 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 178 | -161.7 | 92.5 | 0 | 0 | 0 | 111.6 | E56 R57 R63 S64 | E56-L60 PolarHBondContact O-N 3.02Å; R57-L60 PolarHBondContact O-N 2.96Å; L60-R63 PolarHBondContact O-N 3.46Å; L60-S64 WeakPolarHBondContact O-CB 3.31Å; L60-S64 PolarHBondContact O-N 3.1Å; L60-S64 PolarHBondContact O-OG 3.2Å |
| 61 | L | 86.6 | Confident | 82.6 | Confident | 22 Ų | 22 | 85.6 Ų | 85.6 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 177.9 | -77.2 | 167.4 | 0 | 0 | 0 | 111.8 | H35 L38 L39 L42 R57 C58 S64 L65 | H35-L61 HydrophobicContact CB-CD2 4.41Å; L38-L61 HydrophobicContact CB-CD1 4.11Å; L38-L61 HydrophobicContact CB-CD2 4.31Å; L38-L61 HydrophobicContact CD1-CD2 4.46Å; L39-L61 HydrophobicContact CD1-CB 4.06Å; L42-L61 HydrophobicContact CD1-CD1 3.76Å; R57-L61 WeakPolarHBondContact O-CB 3.4Å; R57-L61 WeakPolarHBondContact O-CG 3.49Å; R57-L61 PolarHBondContact O-N 3.33Å; C58-L61 PolarHBondContact O-N 2.9Å; L61-S64 WeakPolarHBondContact CA-OG 3.37Å; L61-S64 PolarHBondContact O-N 3.45Å; L61-S64 PolarHBondContact O-OG 3.28Å; L61-L65 WeakPolarHBondContact O-CG 3.36Å; L61-L65 PolarHBondContact O-N 2.89Å |
| 62 | R | 87.6 | Confident | 84.2 | Confident | 120 Ų | 120 | 80.5 Ų | 80.5 | 45% | 0.453 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 174.1 | -73 | 176.4 | -176.3 | -87 | 0.9 | 112.2 | L39 C58 I59 S64 L65 E66 | L39-R62 HydrophobicContact CD1-CG 3.56Å; C58-R62 VanDerWaalsContact O-CG 3.29Å; C58-R62 WeakPolarHBondContact O-CG 3.31Å; C58-R62 PolarHBondContact O-N 3Å; I59-R62 PolarHBondContact O-N 2.92Å; R62-S64 VanDerWaalsContact C-N 3.3Å; R62-S64 PolarHBondContact O-N 3.19Å; R62-L65 PolarHBondContact O-N 2.89Å; R62-E66 WeakPolarHBondContact O-CG 3.32Å; R62-E66 PolarHBondContact O-N 3.03Å |
| 63 | R | 90.9 | Very high | 85.9 | Confident | 187 Ų | 187 | 76.5 Ų | 76.5 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 177.9 | -173.3 | 177.5 | 178.1 | -177.1 | -0.8 | 112.4 | I59 L60 A67 | I59-R63 WeakPolarHBondContact O-CB 3.41Å; I59-R63 PolarHBondContact O-N 3.39Å; L60-R63 PolarHBondContact O-N 3.46Å; R63-A67 PolarHBondContact O-N 3.5Å; R63-A67 VanDerWaalsContact O-N 3.15Å |
| 64 | S | 89.8 | Confident | 87.3 | Confident | 34 Ų | 34 | 81 Ų | 81 | 24% | 0.238 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.1 | -36.5 | 175.8 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | H35 L60 L61 R62 A67 I68 | H35-S64 PolarHBondContact CE1-OG 3.22Å; H35-S64 VanDerWaalsContact CE1-OG 3.27Å; H35-S64 PolarHBondContact ND1-OG 3.33Å; L60-S64 WeakPolarHBondContact O-CB 3.31Å; L60-S64 PolarHBondContact O-N 3.1Å; L60-S64 PolarHBondContact O-OG 3.2Å; L61-S64 WeakPolarHBondContact CA-OG 3.37Å; L61-S64 PolarHBondContact O-N 3.45Å; L61-S64 PolarHBondContact O-OG 3.28Å; R62-S64 VanDerWaalsContact C-N 3.3Å; R62-S64 PolarHBondContact O-N 3.19Å; S64-A67 PolarHBondContact O-N 3.48Å; S64-I68 WeakPolarHBondContact O-CD1 3.17Å; S64-I68 VanDerWaalsContact O-CG1 3.22Å; S64-I68 WeakPolarHBondContact O-CG1 3.41Å; S64-I68 PolarHBondContact O-N 3.49Å |
| 65 | L | 90.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 79.8 Ų | 79.8 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 173.8 | -77.9 | 169.9 | 0 | 0 | 0 | 111.8 | R32 H35 R36 L39 L61 R62 A67 I68 E69 | R32-L65 HydrophobicContact CG-CD2 4.07Å; H35-L65 HydrophobicContact CB-CD1 4.5Å; H35-L65 HydrophobicContact CB-CD2 3.53Å; H35-L65 HydrophobicContact CB-CG 3.86Å; R36-L65 HydrophobicContact CG-CD1 4.14Å; R36-L65 HydrophobicContact CG-CD2 3.96Å; L39-L65 HydrophobicContact CD1-CD1 3.91Å; L61-L65 WeakPolarHBondContact O-CG 3.36Å; L61-L65 PolarHBondContact O-N 2.89Å; R62-L65 PolarHBondContact O-N 2.89Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.92Å; L65-I68 PolarHBondContact O-N 3.38Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.42Å; L65-E69 PolarHBondContact O-N 2.69Å |
| 66 | E | 92.4 | Very high | 89.2 | Confident | 133 Ų | 133 | 78.1 Ų | 78.1 | 62% | 0.621 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 174.6 | -73.1 | 171.7 | -171.7 | 0 | 0 | 111.7 | R62 E69 L70 | R62-E66 WeakPolarHBondContact O-CG 3.32Å; R62-E66 PolarHBondContact O-N 3.03Å; E66-E69 PolarHBondContact O-N 2.86Å; E66-L70 WeakPolarHBondContact O-CB 3.48Å; E66-L70 PolarHBondContact O-N 2.97Å |
| 67 | A | 92.1 | Very high | 89.9 | Confident | 65 Ų | 65 | 75.5 Ų | 75.5 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R63 S64 L65 L70 G71 | R63-A67 PolarHBondContact O-N 3.5Å; R63-A67 VanDerWaalsContact O-N 3.15Å; S64-A67 PolarHBondContact O-N 3.48Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.92Å; A67-L70 PolarHBondContact O-N 2.68Å; A67-G71 PolarHBondContact O-N 3.13Å |
| 68 | I | 92.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 72.8 Ų | 72.8 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.5 | -67.6 | 161.9 | 0 | 0 | 0 | 111 | L28 L31 R32 S64 L65 L70 G71 L72 | L28-I68 HydrophobicContact CB-CG2 4.18Å; L28-I68 HydrophobicContact CD2-CG1 4.5Å; L28-I68 HydrophobicContact CD2-CG2 4.26Å; L28-I68 WeakPolarHBondContact O-CG2 3.34Å; L31-I68 HydrophobicContact CB-CD1 4.29Å; L31-I68 HydrophobicContact CD2-CD1 3.65Å; L31-I68 HydrophobicContact CD2-CG1 4.05Å; L31-I68 HydrophobicContact CG-CD1 3.7Å; R32-I68 HydrophobicContact CB-CG2 3.85Å; R32-I68 HydrophobicContact CG-CG2 4.49Å; S64-I68 WeakPolarHBondContact O-CD1 3.17Å; S64-I68 VanDerWaalsContact O-CG1 3.22Å; S64-I68 WeakPolarHBondContact O-CG1 3.41Å; S64-I68 PolarHBondContact O-N 3.49Å; L65-I68 PolarHBondContact O-N 3.38Å; I68-L70 VanDerWaalsContact C-N 3.34Å; I68-G71 PolarHBondContact O-N 3.31Å; I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 HydrophobicContact CG2-CG 4.49Å; I68-L72 WeakPolarHBondContact O-CB 3.35Å; I68-L72 WeakPolarHBondContact O-CG 3.19Å; I68-L72 PolarHBondContact O-N 2.91Å |
| 69 | E | 91.8 | Very high | 90.9 | Very high | 91 Ų | 91 | 73.5 Ų | 73.5 | 43% | 0.425 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 177.4 | -73.7 | -179.8 | 173.4 | 0 | 0 | 111.9 | R36 L65 E66 G73 | R36-E69 IonicContact CZ-OE1 3.94Å; R36-E69 IonicContact NH2-OE1 3.13Å; R36-E69 PolarHBondContact NH2-OE1 3.44Å; L65-E69 WeakPolarHBondContact O-CB 3.32Å; L65-E69 WeakPolarHBondContact O-CG 3.42Å; L65-E69 PolarHBondContact O-N 2.69Å; E66-E69 PolarHBondContact O-N 2.86Å; E69-G73 PolarHBondContact O-N 3.22Å |
| 70 | L | 93.8 | Very high | 91.2 | Very high | 109 Ų | 109 | 70.4 Ų | 70.4 | 57% | 0.571 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.8 | -46.1 | 173.4 | -166.2 | 131.8 | 0 | 0 | 0 | 111.6 | E66 A67 I68 L72 G73 E74 | E66-L70 WeakPolarHBondContact O-CB 3.48Å; E66-L70 PolarHBondContact O-N 2.97Å; A67-L70 PolarHBondContact O-N 2.68Å; I68-L70 VanDerWaalsContact C-N 3.34Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.49Å; L70-G73 WeakPolarHBondContact O-CA 3.4Å; L70-G73 PolarHBondContact O-N 2.88Å; L70-G73 VanDerWaalsContact O-N 3.12Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.34Å; L70-E74 PolarHBondContact O-N 3.4Å |
| 71 | G | 91.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 21% | 0.206 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | A67 I68 E74 A75 | A67-G71 PolarHBondContact O-N 3.13Å; I68-G71 PolarHBondContact O-N 3.31Å; G71-E74 PolarHBondContact O-N 3.47Å; G71-A75 WeakPolarHBondContact O-CB 3.35Å; G71-A75 PolarHBondContact O-N 3.04Å |
| 72 | L | 91.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 70.4 Ų | 70.4 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 171.9 | -75.9 | 170.6 | 0 | 0 | 0 | 111.8 | I25 L28 E29 I68 L70 A75 Q76 | I25-L72 HydrophobicContact CB-CD2 4.36Å; I25-L72 HydrophobicContact CG1-CD2 4.41Å; I25-L72 HydrophobicContact CG2-CD2 4Å; L28-L72 HydrophobicContact CB-CD1 4.48Å; L28-L72 HydrophobicContact CB-CD2 3.57Å; L28-L72 HydrophobicContact CB-CG 3.84Å; L28-L72 HydrophobicContact CD1-CD2 4.23Å; L28-L72 HydrophobicContact CD1-CG 4.25Å; E29-L72 HydrophobicContact CG-CD1 4.32Å; E29-L72 HydrophobicContact CG-CD2 3.85Å; I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 HydrophobicContact CG2-CG 4.49Å; I68-L72 WeakPolarHBondContact O-CB 3.35Å; I68-L72 WeakPolarHBondContact O-CG 3.19Å; I68-L72 PolarHBondContact O-N 2.91Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.49Å; L72-A75 PolarHBondContact O-N 3.47Å; L72-Q76 WeakPolarHBondContact O-CB 3.38Å; L72-Q76 PolarHBondContact O-N 3.33Å |
| 73 | G | 91.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E69 L70 Q76 V77 | E69-G73 PolarHBondContact O-N 3.22Å; L70-G73 WeakPolarHBondContact O-CA 3.4Å; L70-G73 PolarHBondContact O-N 2.88Å; L70-G73 VanDerWaalsContact O-N 3.12Å; G73-Q76 PolarHBondContact O-N 3.14Å; G73-V77 WeakPolarHBondContact O-CG2 3.44Å; G73-V77 PolarHBondContact O-N 2.9Å; G73-V77 VanDerWaalsContact O-N 3.08Å |
| 74 | E | 93.6 | Very high | 91.8 | Very high | 118 Ų | 118 | 66.2 Ų | 66.2 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 177.3 | -69.9 | 178.2 | 169.2 | 0 | 0 | 112.1 | L70 G71 Q76 V77 I78 | L70-E74 WeakPolarHBondContact CD2-OE1 3.37Å; L70-E74 WeakPolarHBondContact O-CG 3.34Å; L70-E74 PolarHBondContact O-N 3.4Å; G71-E74 PolarHBondContact O-N 3.47Å; E74-Q76 VanDerWaalsContact C-N 3.33Å; E74-Q76 PolarHBondContact O-N 2.78Å; E74-V77 PolarHBondContact O-N 2.62Å; E74-I78 WeakPolarHBondContact O-CG1 3.48Å; E74-I78 PolarHBondContact O-N 3.06Å |
| 75 | A | 91.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 68.2 Ų | 68.2 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T21 I25 G71 L72 V77 I78 L79 | T21-A75 HydrophobicContact CG2-CB 3.78Å; T21-A75 WeakPolarHBondContact CG2-O 3.25Å; I25-A75 HydrophobicContact CD1-CB 3.82Å; I25-A75 HydrophobicContact CG1-CB 3.49Å; I25-A75 VanDerWaalsContact CG1-CB 3.49Å; G71-A75 WeakPolarHBondContact O-CB 3.35Å; G71-A75 PolarHBondContact O-N 3.04Å; L72-A75 PolarHBondContact O-N 3.47Å; A75-V77 VanDerWaalsContact C-N 3.35Å; A75-I78 PolarHBondContact O-N 3.41Å; A75-L79 PolarHBondContact O-N 2.84Å; A75-L79 VanDerWaalsContact O-N 3.08Å |
| 76 | Q | 92.1 | Very high | 91.8 | Very high | 115 Ų | 115 | 68.8 Ų | 68.8 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 175.3 | -169.6 | 64.3 | 29.8 | 0 | 0 | 112 | L72 G73 E74 L79 A80 | L72-Q76 WeakPolarHBondContact O-CB 3.38Å; L72-Q76 PolarHBondContact O-N 3.33Å; G73-Q76 PolarHBondContact O-N 3.14Å; E74-Q76 VanDerWaalsContact C-N 3.33Å; E74-Q76 PolarHBondContact O-N 2.78Å; Q76-L79 PolarHBondContact O-N 3.37Å; Q76-A80 PolarHBondContact O-N 3.05Å |
| 77 | V | 93.7 | Very high | 91.8 | Very high | 96 Ų | 96 | 64.8 Ų | 64.8 | 58% | 0.582 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 111 | G73 E74 A75 L79 A80 L81 | G73-V77 WeakPolarHBondContact O-CG2 3.44Å; G73-V77 PolarHBondContact O-N 2.9Å; G73-V77 VanDerWaalsContact O-N 3.08Å; E74-V77 PolarHBondContact O-N 2.62Å; A75-V77 VanDerWaalsContact C-N 3.35Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.14Å; V77-A80 PolarHBondContact O-N 3.06Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 PolarHBondContact O-N 3Å |
| 78 | I | 91.3 | Very high | 91.8 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 40% | 0.4 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 176.2 | -67.9 | 167.9 | 0 | 0 | 0 | 110.9 | I17 T21 E74 A75 L81 S82 | I17-I78 HydrophobicContact CG2-CG2 4.45Å; T21-I78 HydrophobicContact CG2-CB 4.23Å; T21-I78 HydrophobicContact CG2-CG2 4.12Å; E74-I78 WeakPolarHBondContact O-CG1 3.48Å; E74-I78 PolarHBondContact O-N 3.06Å; A75-I78 PolarHBondContact O-N 3.41Å; I78-L81 PolarHBondContact O-N 3.43Å; I78-S82 PolarHBondContact O-N 3.36Å |
| 79 | L | 90.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 175.6 | -72.1 | -178.4 | 0 | 0 | 0 | 112.5 | V18 T21 K22 I25 A75 Q76 V77 L81 S82 S83 | V18-L79 HydrophobicContact CB-CD2 4.42Å; V18-L79 HydrophobicContact CG1-CD2 3.82Å; V18-L79 HydrophobicContact CG2-CD2 4.46Å; T21-L79 HydrophobicContact CG2-CD2 4.23Å; T21-L79 HydrophobicContact CG2-CG 3.99Å; K22-L79 HydrophobicContact CG-CD1 4.2Å; K22-L79 HydrophobicContact CG-CD2 4.16Å; I25-L79 HydrophobicContact CD1-CD1 3.42Å; I25-L79 VanDerWaalsContact CD1-CD1 3.42Å; I25-L79 HydrophobicContact CD1-CG 4.25Å; A75-L79 PolarHBondContact O-N 2.84Å; A75-L79 VanDerWaalsContact O-N 3.08Å; Q76-L79 PolarHBondContact O-N 3.37Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.14Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 2.89Å; L79-S82 PolarHBondContact O-N 2.88Å; L79-S82 PolarHBondContact O-OG 2.98Å; L79-S83 PolarHBondContact O-N 3.34Å |
| 80 | A | 91.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 67 Ų | 67 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q76 V77 S82 S83 H84 | Q76-A80 PolarHBondContact O-N 3.05Å; V77-A80 PolarHBondContact O-N 3.06Å; A80-S82 PolarHBondContact O-N 3.32Å; A80-S83 PolarHBondContact O-N 3.17Å; A80-H84 PolarHBondContact O-CD2 3.37Å; A80-H84 PolarHBondContact O-N 3.37Å |
| 81 | L | 92.4 | Very high | 91.7 | Very high | 123 Ų | 123 | 67.7 Ų | 67.7 | 64% | 0.644 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 176.3 | -167.1 | 94.6 | 0 | 0 | 0 | 111.4 | V77 I78 L79 S83 H84 L85 | V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 PolarHBondContact O-N 3Å; I78-L81 PolarHBondContact O-N 3.43Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 2.89Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 2.97Å; L81-H84 PolarHBondContact O-N 2.89Å; L81-L85 WeakPolarHBondContact O-CB 3.44Å; L81-L85 PolarHBondContact O-N 3.35Å |
| 82 | S | 90.4 | Very high | 91.8 | Very high | 24 Ų | 24 | 71.9 Ų | 71.9 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 178.7 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | Q14 V18 I78 L79 A80 L85 G86 | Q14-S82 PolarHBondContact NE2-O 2.62Å; V18-S82 WeakPolarHBondContact CG2-OG 3.35Å; I78-S82 PolarHBondContact O-N 3.36Å; L79-S82 PolarHBondContact O-N 2.88Å; L79-S82 PolarHBondContact O-OG 2.98Å; A80-S82 PolarHBondContact O-N 3.32Å; S82-L85 PolarHBondContact O-N 3.46Å; S82-G86 PolarHBondContact O-N 2.98Å |
| 83 | S | 90 | Very high | 91.9 | Very high | 85 Ų | 85 | 77.3 Ų | 77.3 | 59% | 0.594 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.4 | -42.3 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | L79 A80 L81 G86 A87 | L79-S83 PolarHBondContact O-N 3.34Å; A80-S83 PolarHBondContact O-N 3.17Å; L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 PolarHBondContact O-N 2.97Å; S83-G86 PolarHBondContact O-N 2.68Å; S83-A87 PolarHBondContact O-N 2.69Å |
| 84 | H | 92.9 | Very high | 92 | Very high | 134 Ų | 134 | 82.3 Ų | 82.3 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 176 | -76.7 | -59.5 | 0 | 0 | 0 | 111.5 | A80 L81 A87 V88 | A80-H84 PolarHBondContact O-CD2 3.37Å; A80-H84 PolarHBondContact O-N 3.37Å; L81-H84 PolarHBondContact O-N 2.89Å; H84-A87 PolarHBondContact O-N 3.37Å; H84-V88 WeakPolarHBondContact O-CG2 3.44Å; H84-V88 PolarHBondContact O-N 3.32Å |
| 85 | L | 91.5 | Very high | 92 | Very high | 77 Ų | 77 | 81.6 Ų | 81.6 | 40% | 0.403 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 175.8 | -176 | 62.5 | 0 | 0 | 0 | 111.1 | L81 S82 A87 V88 E89 | L81-L85 WeakPolarHBondContact O-CB 3.44Å; L81-L85 PolarHBondContact O-N 3.35Å; S82-L85 PolarHBondContact O-N 3.46Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 3.37Å; L85-V88 PolarHBondContact O-N 3.26Å; L85-E89 HydrophobicContact CD1-CG 4.42Å; L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 WeakPolarHBondContact O-CG 3.31Å; L85-E89 PolarHBondContact O-N 3.38Å |
| 86 | G | 90 | Very high | 92.2 | Very high | 29 Ų | 29 | 88.1 Ų | 88.1 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S82 S83 E89 S90 | S82-G86 PolarHBondContact O-N 2.98Å; S83-G86 PolarHBondContact O-N 2.68Å; G86-E89 PolarHBondContact O-N 2.85Å; G86-S90 WeakPolarHBondContact O-CB 3.25Å; G86-S90 PolarHBondContact O-N 3.04Å |
| 87 | A | 90.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 84.7 Ų | 84.7 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S83 H84 L85 E89 S90 E91 | S83-A87 PolarHBondContact O-N 2.69Å; H84-A87 PolarHBondContact O-N 3.37Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 3.37Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 3.06Å; A87-S90 PolarHBondContact O-N 3.32Å; A87-S90 PolarHBondContact O-OG 2.98Å; A87-E91 PolarHBondContact O-N 3.46Å |
| 88 | V | 93.8 | Very high | 92.2 | Very high | 87 Ų | 87 | 85.4 Ų | 85.4 | 53% | 0.527 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 178.6 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | H84 L85 E91 K92 | H84-V88 WeakPolarHBondContact O-CG2 3.44Å; H84-V88 PolarHBondContact O-N 3.32Å; L85-V88 PolarHBondContact O-N 3.26Å; V88-E91 PolarHBondContact O-N 2.61Å; V88-K92 WeakPolarHBondContact O-CB 3.46Å; V88-K92 PolarHBondContact O-N 3.07Å |
| 89 | E | 91.8 | Very high | 92.4 | Very high | 80 Ų | 80 | 85.9 Ų | 85.9 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.3 | -74.2 | -178.7 | 165 | 0 | 0 | 112.2 | L85 G86 A87 K92 Q93 | L85-E89 HydrophobicContact CD1-CG 4.42Å; L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 WeakPolarHBondContact O-CG 3.31Å; L85-E89 PolarHBondContact O-N 3.38Å; G86-E89 PolarHBondContact O-N 2.85Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 3.06Å; E89-K92 WeakPolarHBondContact O-CB 3.31Å; E89-K92 PolarHBondContact O-N 3.47Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.29Å |
| 90 | S | 90.8 | Very high | 92.6 | Very high | 47 Ų | 47 | 91.9 Ų | 91.9 | 33% | 0.329 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 175.3 | 83 | 0 | 0 | 0 | 0 | 112.1 | G86 A87 Q93 K94 | G86-S90 WeakPolarHBondContact O-CB 3.25Å; G86-S90 PolarHBondContact O-N 3.04Å; A87-S90 PolarHBondContact O-N 3.32Å; A87-S90 PolarHBondContact O-OG 2.98Å; S90-Q93 PolarHBondContact O-N 3.01Å; S90-K94 WeakPolarHBondContact O-CG 3.46Å; S90-K94 PolarHBondContact O-N 3.49Å |
| 91 | E | 92.3 | Very high | 92.8 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -43.7 | 175.5 | -72.4 | -171.7 | 163.7 | 0 | 0 | 111.5 | A87 V88 Q93 K94 L95 | A87-E91 PolarHBondContact O-N 3.46Å; V88-E91 PolarHBondContact O-N 2.61Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.84Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.13Å; E91-L95 WeakPolarHBondContact O-CG 3.32Å; E91-L95 PolarHBondContact O-N 3.5Å |
| 92 | K | 93.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 95.6 Ų | 95.6 | 47% | 0.474 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 173.1 | 176.4 | -177.1 | 174.2 | -177.3 | 0 | 111.7 | V88 E89 R96 | V88-K92 WeakPolarHBondContact O-CB 3.46Å; V88-K92 PolarHBondContact O-N 3.07Å; E89-K92 WeakPolarHBondContact O-CB 3.31Å; E89-K92 PolarHBondContact O-N 3.47Å; K92-R96 VanDerWaalsContact CE-CZ 3.45Å; K92-R96 VanDerWaalsContact CE-NH2 3.34Å; K92-R96 WeakPolarHBondContact O-CB 3.26Å; K92-R96 VanDerWaalsContact O-CG 3.3Å; K92-R96 WeakPolarHBondContact O-CG 3.42Å; K92-R96 PolarHBondContact O-N 3.19Å |
| 93 | Q | 93.7 | Very high | 93.1 | Very high | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 176.4 | -73.9 | 179.7 | 8.2 | 0 | 0 | 112.2 | E89 S90 E91 R96 A97 | E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.29Å; S90-Q93 PolarHBondContact O-N 3.01Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.84Å; Q93-R96 PolarHBondContact O-N 3.48Å; Q93-A97 PolarHBondContact O-N 2.95Å |
| 94 | K | 94.1 | Very high | 93.4 | Very high | 143 Ų | 143 | 101.8 Ų | 101.8 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 174.8 | -71.6 | 169.8 | -175.3 | 170.5 | 0 | 111.8 | S90 E91 R96 A97 Q98 | S90-K94 WeakPolarHBondContact O-CG 3.46Å; S90-K94 PolarHBondContact O-N 3.49Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.13Å; K94-R96 VanDerWaalsContact C-N 3.35Å; K94-R96 PolarHBondContact O-N 2.85Å; K94-A97 WeakPolarHBondContact O-CB 3.27Å; K94-A97 PolarHBondContact O-N 3.48Å; K94-A97 VanDerWaalsContact O-N 3.17Å; K94-Q98 PolarHBondContact O-N 3.46Å |
| 95 | L | 93.7 | Very high | 93.6 | Very high | 104 Ų | 104 | 99.2 Ų | 99.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 177.5 | -71.5 | 173.6 | 0 | 0 | 0 | 111.6 | E91 A97 Q98 V99 | E91-L95 WeakPolarHBondContact O-CG 3.32Å; E91-L95 PolarHBondContact O-N 3.5Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.4Å; L95-Q98 PolarHBondContact O-N 2.93Å; L95-V99 WeakPolarHBondContact O-CG2 2.96Å; L95-V99 PolarHBondContact O-N 3.35Å |
| 96 | R | 94.9 | Very high | 93.7 | Very high | 143 Ų | 143 | 99.5 Ų | 99.5 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 174.3 | -78.2 | 175.5 | 170.1 | -174.9 | -6.4 | 112.6 | K92 Q93 K94 R100 | K92-R96 VanDerWaalsContact CE-CZ 3.45Å; K92-R96 VanDerWaalsContact CE-NH2 3.34Å; K92-R96 WeakPolarHBondContact O-CB 3.26Å; K92-R96 VanDerWaalsContact O-CG 3.3Å; K92-R96 WeakPolarHBondContact O-CG 3.42Å; K92-R96 PolarHBondContact O-N 3.19Å; Q93-R96 PolarHBondContact O-N 3.48Å; K94-R96 VanDerWaalsContact C-N 3.35Å; K94-R96 PolarHBondContact O-N 2.85Å; R96-R100 WeakPolarHBondContact O-CG 3.19Å; R96-R100 PolarHBondContact O-N 2.07Å; R96-R100 VanDerWaalsContact O-N 3.1Å |
| 97 | A | 91.9 | Very high | 94 | Very high | 44 Ų | 44 | 102.4 Ų | 102.4 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q93 K94 L95 R100 R101 | Q93-A97 PolarHBondContact O-N 2.95Å; K94-A97 WeakPolarHBondContact O-CB 3.27Å; K94-A97 PolarHBondContact O-N 3.48Å; K94-A97 VanDerWaalsContact O-N 3.17Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 3.4Å; A97-R100 PolarHBondContact O-N 3.33Å; A97-R101 PolarHBondContact O-N 2.91Å |
| 98 | Q | 95.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.9 | -171.1 | 176.5 | 10.7 | 0 | 0 | 112.1 | K94 L95 R100 R101 L102 | K94-Q98 PolarHBondContact O-N 3.46Å; L95-Q98 PolarHBondContact O-N 2.93Å; Q98-R100 PolarHBondContact O-N 3.5Å; Q98-R101 WeakPolarHBondContact O-CB 3.15Å; Q98-R101 PolarHBondContact O-N 3.05Å; Q98-L102 HydrophobicContact CG-CD1 4.3Å; Q98-L102 WeakPolarHBondContact O-CG 3.2Å; Q98-L102 PolarHBondContact O-N 2.95Å |
| 99 | V | 95.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 107.7 Ų | 107.7 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L95 R101 L102 V103 | L95-V99 WeakPolarHBondContact O-CG2 2.96Å; L95-V99 PolarHBondContact O-N 3.35Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.4Å; V99-L102 PolarHBondContact O-N 3.16Å; V99-V103 HydrophobicContact CG1-CG2 4.43Å; V99-V103 WeakPolarHBondContact O-CG2 3.29Å; V99-V103 PolarHBondContact O-N 3.46Å |
| 100 | R | 95.1 | Very high | 94.6 | Very high | 157 Ų | 157 | 111.9 Ų | 111.9 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.3 | -43.5 | 176.3 | -74 | -169.8 | -61.2 | -90.1 | 3.1 | 112.2 | R96 A97 Q98 V103 Q104 | R96-R100 WeakPolarHBondContact O-CG 3.19Å; R96-R100 PolarHBondContact O-N 2.07Å; R96-R100 VanDerWaalsContact O-N 3.1Å; A97-R100 PolarHBondContact O-N 3.33Å; Q98-R100 PolarHBondContact O-N 3.5Å; R100-V103 PolarHBondContact O-N 3.49Å; R100-Q104 PolarHBondContact O-N 3.02Å |
| 101 | R | 95.6 | Very high | 94.9 | Very high | 163 Ų | 163 | 114.9 Ų | 114.9 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.2 | -48.1 | 176.3 | -174.9 | -175.3 | -179.2 | 164.7 | 12.2 | 111.6 | A97 Q98 V99 V103 Q104 E105 | A97-R101 PolarHBondContact O-N 2.91Å; Q98-R101 WeakPolarHBondContact O-CB 3.15Å; Q98-R101 PolarHBondContact O-N 3.05Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.4Å; R101-V103 VanDerWaalsContact C-N 3.31Å; R101-V103 PolarHBondContact O-N 2.88Å; R101-Q104 PolarHBondContact O-N 3.36Å; R101-E105 HydrophobicContact CG-CG 4.49Å; R101-E105 WeakPolarHBondContact CG-OE1 3.24Å; R101-E105 IonicContact CZ-OE1 3.64Å; R101-E105 IonicContact NE-OE1 2.61Å; R101-E105 PolarHBondContact NE-OE1 2.93Å; R101-E105 IonicContact NH2-OE1 3.02Å; R101-E105 WeakPolarHBondContact O-CG 3.44Å; R101-E105 PolarHBondContact O-N 3.46Å |
| 102 | L | 92.8 | Very high | 95.1 | Very high | 80 Ų | 80 | 113.3 Ų | 113.3 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 178.9 | -72.9 | 172.6 | 0 | 0 | 0 | 112.3 | Q98 V99 Q104 E105 N106 | Q98-L102 HydrophobicContact CG-CD1 4.3Å; Q98-L102 WeakPolarHBondContact O-CG 3.2Å; Q98-L102 PolarHBondContact O-N 2.95Å; V99-L102 PolarHBondContact O-N 3.16Å; L102-Q104 VanDerWaalsContact C-N 3.35Å; L102-E105 PolarHBondContact O-N 3.17Å; L102-N106 WeakPolarHBondContact O-CB 3.26Å; L102-N106 PolarHBondContact O-N 3.42Å; L102-N106 PolarHBondContact O-ND2 3.43Å |
| 103 | V | 96.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 112.8 Ų | 112.8 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 174.8 | 170 | 0 | 0 | 0 | 0 | 110.7 | V99 R100 R101 N106 Q107 | V99-V103 HydrophobicContact CG1-CG2 4.43Å; V99-V103 WeakPolarHBondContact O-CG2 3.29Å; V99-V103 PolarHBondContact O-N 3.46Å; R100-V103 PolarHBondContact O-N 3.49Å; R101-V103 VanDerWaalsContact C-N 3.31Å; R101-V103 PolarHBondContact O-N 2.88Å; V103-N106 PolarHBondContact O-N 2.87Å; V103-Q107 WeakPolarHBondContact O-CB 3.47Å; V103-Q107 PolarHBondContact O-N 3.5Å |
| 104 | Q | 96.2 | Very high | 95.3 | Very high | 144 Ų | 144 | 109 Ų | 109 | 67% | 0.673 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -42.5 | 177.4 | -170.6 | 173.4 | 12.1 | 0 | 0 | 112.3 | R100 R101 L102 Q107 W108 | R100-Q104 PolarHBondContact O-N 3.02Å; R101-Q104 PolarHBondContact O-N 3.36Å; L102-Q104 VanDerWaalsContact C-N 3.35Å; Q104-Q107 PolarHBondContact O-N 3.45Å; Q104-W108 PolarHBondContact O-N 2.88Å |
| 105 | E | 95.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 103.3 Ų | 103.3 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175 | -73.5 | 172.5 | -174.5 | 0 | 0 | 111.3 | R101 L102 Q107 W108 L109 | R101-E105 HydrophobicContact CG-CG 4.49Å; R101-E105 WeakPolarHBondContact CG-OE1 3.24Å; R101-E105 IonicContact CZ-OE1 3.64Å; R101-E105 IonicContact NE-OE1 2.61Å; R101-E105 PolarHBondContact NE-OE1 2.93Å; R101-E105 IonicContact NH2-OE1 3.02Å; R101-E105 WeakPolarHBondContact O-CG 3.44Å; R101-E105 PolarHBondContact O-N 3.46Å; L102-E105 PolarHBondContact O-N 3.17Å; E105-Q107 PolarHBondContact O-N 2.94Å; E105-W108 PolarHBondContact O-N 3.22Å; E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 VanDerWaalsContact O-CG 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.3Å; E105-L109 PolarHBondContact O-N 3.1Å |
| 106 | N | 95.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 174.7 | -87.1 | -80.3 | 0 | 0 | 0 | 112.6 | L102 V103 R110 | L102-N106 WeakPolarHBondContact O-CB 3.26Å; L102-N106 PolarHBondContact O-N 3.42Å; L102-N106 PolarHBondContact O-ND2 3.43Å; V103-N106 PolarHBondContact O-N 2.87Å; N106-R110 VanDerWaalsContact O-CG 3.31Å; N106-R110 WeakPolarHBondContact O-CG 3.44Å; N106-R110 PolarHBondContact O-N 2.91Å |
| 107 | Q | 96.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 176 | -178.2 | 60.5 | 25 | 0 | 0 | 110.8 | V103 Q104 E105 L109 R110 E111 | V103-Q107 WeakPolarHBondContact O-CB 3.47Å; V103-Q107 PolarHBondContact O-N 3.5Å; Q104-Q107 PolarHBondContact O-N 3.45Å; E105-Q107 PolarHBondContact O-N 2.94Å; Q107-L109 PolarHBondContact O-N 2.83Å; Q107-R110 WeakPolarHBondContact O-CB 3.44Å; Q107-R110 PolarHBondContact O-N 3.38Å; Q107-R110 VanDerWaalsContact O-N 3.17Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.42Å; Q107-E111 PolarHBondContact NE2-OE1 2.7Å; Q107-E111 WeakPolarHBondContact O-CG 3.37Å; Q107-E111 PolarHBondContact O-N 3.4Å |
| 108 | W | 96.6 | Very high | 95.7 | Very high | 149 Ų | 149 | 102.6 Ų | 102.6 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 176.9 | -178.5 | 77.1 | 0 | 0 | 0 | 112.3 | Q104 E105 R110 E111 E112 | Q104-W108 PolarHBondContact O-N 2.88Å; E105-W108 PolarHBondContact O-N 3.22Å; W108-R110 VanDerWaalsContact C-N 3.3Å; W108-R110 PolarHBondContact O-N 3.43Å; W108-E111 PolarHBondContact O-N 3.13Å; W108-E112 PolarHBondContact O-N 3.4Å |
| 109 | L | 94.8 | Very high | 95.8 | Very high | 98 Ų | 98 | 103.9 Ų | 103.9 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 176.3 | -73.2 | 172.2 | 0 | 0 | 0 | 112.8 | E105 Q107 L113 | E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 VanDerWaalsContact O-CG 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.3Å; E105-L109 PolarHBondContact O-N 3.1Å; Q107-L109 PolarHBondContact O-N 2.83Å; L109-L113 VanDerWaalsContact O-CB 3.27Å; L109-L113 WeakPolarHBondContact O-CB 3.13Å; L109-L113 PolarHBondContact O-N 2.68Å |
| 110 | R | 96.8 | Very high | 95.8 | Very high | 168 Ų | 168 | 104.2 Ų | 104.2 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68 | -39.9 | 174.7 | -74.4 | 172.4 | 178.5 | 171.3 | -1.1 | 111.9 | N106 Q107 W108 L113 A114 | N106-R110 VanDerWaalsContact O-CG 3.31Å; N106-R110 WeakPolarHBondContact O-CG 3.44Å; N106-R110 PolarHBondContact O-N 2.91Å; Q107-R110 WeakPolarHBondContact O-CB 3.44Å; Q107-R110 PolarHBondContact O-N 3.38Å; Q107-R110 VanDerWaalsContact O-N 3.17Å; W108-R110 VanDerWaalsContact C-N 3.3Å; W108-R110 PolarHBondContact O-N 3.43Å; R110-L113 PolarHBondContact O-N 3.02Å; R110-A114 WeakPolarHBondContact O-CB 3.5Å; R110-A114 PolarHBondContact O-N 3.29Å |
| 111 | E | 97.1 | Very high | 95.9 | Very high | 110 Ų | 110 | 102 Ų | 102 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 175.8 | -72.4 | 167.8 | -167.1 | 0 | 0 | 111.4 | Q107 W108 A114 G115 | Q107-E111 WeakPolarHBondContact CG-OE1 3.42Å; Q107-E111 PolarHBondContact NE2-OE1 2.7Å; Q107-E111 WeakPolarHBondContact O-CG 3.37Å; Q107-E111 PolarHBondContact O-N 3.4Å; W108-E111 PolarHBondContact O-N 3.13Å; E111-A114 PolarHBondContact O-N 3.17Å; E111-G115 PolarHBondContact O-N 2.81Å |
| 112 | E | 96.6 | Very high | 95.9 | Very high | 89 Ų | 89 | 101.1 Ų | 101.1 | 42% | 0.416 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.3 | -167.1 | 61.2 | -150.3 | 0 | 0 | 111.4 | W108 A114 G115 T116 | W108-E112 PolarHBondContact O-N 3.4Å; E112-A114 PolarHBondContact O-N 2.92Å; E112-G115 PolarHBondContact O-N 2.93Å; E112-T116 WeakPolarHBondContact O-CG2 3.32Å; E112-T116 PolarHBondContact O-N 3.04Å; E112-T116 PolarHBondContact O-OG1 3.05Å |
| 113 | L | 94.4 | Very high | 96 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.6 | -178.2 | 65.5 | 0 | 0 | 0 | 111.3 | L109 R110 G115 T116 Q117 | L109-L113 VanDerWaalsContact O-CB 3.27Å; L109-L113 WeakPolarHBondContact O-CB 3.13Å; L109-L113 PolarHBondContact O-N 2.68Å; R110-L113 PolarHBondContact O-N 3.02Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.49Å; L113-T116 PolarHBondContact O-N 2.99Å; L113-T116 PolarHBondContact O-OG1 2.97Å; L113-Q117 WeakPolarHBondContact O-CB 3.06Å; L113-Q117 VanDerWaalsContact O-CG 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.44Å; L113-Q117 PolarHBondContact O-N 3.29Å |
| 114 | A | 96.3 | Very high | 96 | Very high | 52 Ų | 52 | 100.9 Ų | 100.9 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R110 E111 E112 Q117 Q118 | R110-A114 WeakPolarHBondContact O-CB 3.5Å; R110-A114 PolarHBondContact O-N 3.29Å; E111-A114 PolarHBondContact O-N 3.17Å; E112-A114 PolarHBondContact O-N 2.92Å; A114-Q117 PolarHBondContact O-N 3.05Å; A114-Q118 WeakPolarHBondContact O-CB 3.35Å; A114-Q118 PolarHBondContact O-N 3.36Å |
| 115 | G | 97.2 | Very high | 96 | Very high | 25 Ų | 25 | 99.2 Ų | 99.2 | 26% | 0.258 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | E111 E112 L113 Q118 K119 | E111-G115 PolarHBondContact O-N 2.81Å; E112-G115 PolarHBondContact O-N 2.93Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 3.49Å; G115-Q118 PolarHBondContact O-N 3.34Å; G115-K119 WeakPolarHBondContact O-CG 3.41Å; G115-K119 PolarHBondContact O-N 3.34Å; G115-K119 VanDerWaalsContact O-N 3.1Å |
| 116 | T | 93.8 | Very high | 96.1 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 40% | 0.399 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 175.7 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | E112 L113 Q118 K119 L120 | E112-T116 WeakPolarHBondContact O-CG2 3.32Å; E112-T116 PolarHBondContact O-N 3.04Å; E112-T116 PolarHBondContact O-OG1 3.05Å; L113-T116 PolarHBondContact O-N 2.99Å; L113-T116 PolarHBondContact O-OG1 2.97Å; T116-Q118 PolarHBondContact O-N 3.17Å; T116-K119 PolarHBondContact O-N 2.94Å; T116-L120 PolarHBondContact O-N 3.19Å |
| 117 | Q | 96 | Very high | 96.1 | Very high | 114 Ų | 114 | 97.1 Ų | 97.1 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 174.1 | -74.7 | 175.6 | -15.1 | 0 | 0 | 112 | L113 A114 K119 L120 Q121 | L113-Q117 WeakPolarHBondContact O-CB 3.06Å; L113-Q117 VanDerWaalsContact O-CG 3.32Å; L113-Q117 WeakPolarHBondContact O-CG 3.44Å; L113-Q117 PolarHBondContact O-N 3.29Å; A114-Q117 PolarHBondContact O-N 3.05Å; Q117-K119 PolarHBondContact O-N 3.32Å; Q117-L120 PolarHBondContact O-N 3.22Å; Q117-Q121 WeakPolarHBondContact O-CB 3.46Å; Q117-Q121 PolarHBondContact O-N 3.11Å |
| 118 | Q | 97.6 | Very high | 96 | Very high | 97 Ų | 97 | 94.9 Ų | 94.9 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.3 | -170.6 | -179.6 | 33.7 | 0 | 0 | 112 | A114 G115 T116 Q121 R122 | A114-Q118 WeakPolarHBondContact O-CB 3.35Å; A114-Q118 PolarHBondContact O-N 3.36Å; G115-Q118 PolarHBondContact O-N 3.34Å; T116-Q118 PolarHBondContact O-N 3.17Å; Q118-Q121 PolarHBondContact O-N 3.48Å; Q118-R122 WeakPolarHBondContact O-CG 3.49Å; Q118-R122 PolarHBondContact O-N 3.43Å |
| 119 | K | 96.3 | Very high | 96 | Very high | 137 Ų | 137 | 93.5 Ų | 93.5 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 175.2 | -72.6 | 172.8 | -176.6 | 173.3 | 0 | 111.5 | G115 T116 Q117 R122 S123 | G115-K119 WeakPolarHBondContact O-CG 3.41Å; G115-K119 PolarHBondContact O-N 3.34Å; G115-K119 VanDerWaalsContact O-N 3.1Å; T116-K119 PolarHBondContact O-N 2.94Å; Q117-K119 PolarHBondContact O-N 3.32Å; K119-R122 PolarHBondContact O-N 3.23Å; K119-S123 PolarHBondContact O-N 3.49Å; K119-S123 PolarHBondContact O-OG 3.09Å |
| 120 | L | 95 | Very high | 96 | Very high | 96 Ų | 96 | 94 Ų | 94 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 175.1 | 179.6 | 63.6 | 0 | 0 | 0 | 110.7 | T116 Q117 R122 S123 E124 | T116-L120 PolarHBondContact O-N 3.19Å; Q117-L120 PolarHBondContact O-N 3.22Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.13Å; L120-S123 WeakPolarHBondContact CA-OG 3.44Å; L120-S123 CarbonylContact O-C 3.6Å; L120-S123 WeakPolarHBondContact O-CA 2.96Å; L120-S123 PolarHBondContact O-N 3.2Å; L120-S123 PolarHBondContact O-OG 2.87Å; L120-E124 HydrophobicContact CD1-CG 4.36Å; L120-E124 HydrophobicContact CG-CG 4.44Å; L120-E124 WeakPolarHBondContact O-CG 3.31Å; L120-E124 PolarHBondContact O-N 2.62Å |
| 121 | Q | 96.6 | Very high | 95.9 | Very high | 110 Ų | 110 | 91.4 Ų | 91.4 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 178.6 | -170.8 | 179.7 | 19.6 | 0 | 0 | 112.3 | Q117 Q118 E124 Q125 | Q117-Q121 WeakPolarHBondContact O-CB 3.46Å; Q117-Q121 PolarHBondContact O-N 3.11Å; Q118-Q121 PolarHBondContact O-N 3.48Å; Q121-E124 PolarHBondContact O-N 3.46Å; Q121-Q125 VanDerWaalsContact O-CG 3.3Å; Q121-Q125 WeakPolarHBondContact O-CG 3.45Å; Q121-Q125 PolarHBondContact O-N 3.03Å |
| 122 | R | 96.3 | Very high | 95.9 | Very high | 144 Ų | 144 | 92.5 Ų | 92.5 | 54% | 0.543 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 174.4 | -73.5 | 178.2 | -173.7 | 160.8 | 4.3 | 112.3 | Q118 K119 L120 Q125 A126 | Q118-R122 WeakPolarHBondContact O-CG 3.49Å; Q118-R122 PolarHBondContact O-N 3.43Å; K119-R122 PolarHBondContact O-N 3.23Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.13Å; R122-Q125 PolarHBondContact O-N 3.42Å; R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 3.46Å |
| 123 | S | 95.1 | Very high | 95.8 | Very high | 59 Ų | 59 | 93.8 Ų | 93.8 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | K119 L120 A126 V127 | K119-S123 PolarHBondContact O-N 3.49Å; K119-S123 PolarHBondContact O-OG 3.09Å; L120-S123 WeakPolarHBondContact CA-OG 3.44Å; L120-S123 CarbonylContact O-C 3.6Å; L120-S123 WeakPolarHBondContact O-CA 2.96Å; L120-S123 PolarHBondContact O-N 3.2Å; L120-S123 PolarHBondContact O-OG 2.87Å; S123-A126 PolarHBondContact O-N 3.25Å; S123-V127 WeakPolarHBondContact O-CG2 3.14Å; S123-V127 PolarHBondContact O-N 3.19Å |
| 124 | E | 96.1 | Very high | 95.8 | Very high | 111 Ų | 111 | 95.6 Ų | 95.6 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.9 | -71.3 | 172.4 | 167.7 | 0 | 0 | 111.3 | L120 Q121 A126 V127 A128 | L120-E124 HydrophobicContact CD1-CG 4.36Å; L120-E124 HydrophobicContact CG-CG 4.44Å; L120-E124 WeakPolarHBondContact O-CG 3.31Å; L120-E124 PolarHBondContact O-N 2.62Å; Q121-E124 PolarHBondContact O-N 3.46Å; E124-A126 PolarHBondContact O-N 3.33Å; E124-V127 PolarHBondContact O-N 3.01Å; E124-A128 PolarHBondContact O-N 3.49Å |
| 125 | Q | 96.6 | Very high | 95.8 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.5 | -74.1 | 173.1 | -7.2 | 0 | 0 | 112.1 | Q121 R122 A128 Q129 | Q121-Q125 VanDerWaalsContact O-CG 3.3Å; Q121-Q125 WeakPolarHBondContact O-CG 3.45Å; Q121-Q125 PolarHBondContact O-N 3.03Å; R122-Q125 PolarHBondContact O-N 3.42Å; Q125-A128 PolarHBondContact O-N 3.48Å; Q125-Q129 WeakPolarHBondContact O-CG 3.33Å; Q125-Q129 PolarHBondContact O-N 3.02Å |
| 126 | A | 96.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 103.8 Ų | 103.8 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R122 S123 E124 Q129 L130 | R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 3.46Å; S123-A126 PolarHBondContact O-N 3.25Å; E124-A126 PolarHBondContact O-N 3.33Å; A126-Q129 PolarHBondContact O-N 3.25Å; A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 3.4Å |
| 127 | V | 95.9 | Very high | 95.6 | Very high | 76 Ų | 76 | 106 Ų | 106 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.1 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | S123 E124 Q129 L130 E131 | S123-V127 WeakPolarHBondContact O-CG2 3.14Å; S123-V127 PolarHBondContact O-N 3.19Å; E124-V127 PolarHBondContact O-N 3.01Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 3.18Å; V127-L130 PolarHBondContact O-N 3.3Å; V127-E131 HydrophobicContact CG1-CG 4.41Å; V127-E131 WeakPolarHBondContact O-CG 3.43Å; V127-E131 PolarHBondContact O-N 2.72Å |
| 128 | A | 95.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 104.9 Ų | 104.9 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E124 Q125 E131 E132 | E124-A128 PolarHBondContact O-N 3.49Å; Q125-A128 PolarHBondContact O-N 3.48Å; A128-E131 PolarHBondContact O-N 3.08Å; A128-E132 WeakPolarHBondContact O-CG 3.38Å; A128-E132 PolarHBondContact O-N 3.07Å |
| 129 | Q | 95.4 | Very high | 95.2 | Very high | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.7 | -45.3 | 174.7 | -73.4 | 175.6 | -13.2 | 0 | 0 | 112.2 | Q125 A126 V127 E131 E132 E133 | Q125-Q129 WeakPolarHBondContact O-CG 3.33Å; Q125-Q129 PolarHBondContact O-N 3.02Å; A126-Q129 PolarHBondContact O-N 3.25Å; V127-Q129 VanDerWaalsContact C-N 3.32Å; V127-Q129 PolarHBondContact O-N 3.18Å; Q129-E131 VanDerWaalsContact C-N 3.29Å; Q129-E131 PolarHBondContact O-N 2.85Å; Q129-E132 PolarHBondContact O-N 3.03Å; Q129-E133 WeakPolarHBondContact O-CG 3.17Å; Q129-E133 PolarHBondContact O-N 3.43Å |
| 130 | L | 95.1 | Very high | 94.9 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -33.7 | 177.1 | -71 | 171.9 | 0 | 0 | 0 | 112.4 | A126 V127 K134 | A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 3.4Å; V127-L130 PolarHBondContact O-N 3.3Å; L130-K134 VanDerWaalsContact O-CB 3.26Å; L130-K134 WeakPolarHBondContact O-CB 3.29Å; L130-K134 PolarHBondContact O-N 3.48Å |
| 131 | E | 94.9 | Very high | 94.5 | Very high | 114 Ų | 114 | 100.3 Ų | 100.3 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 173.9 | -75 | -179.6 | 168.2 | 0 | 0 | 111.7 | V127 A128 Q129 K134 Q135 | V127-E131 HydrophobicContact CG1-CG 4.41Å; V127-E131 WeakPolarHBondContact O-CG 3.43Å; V127-E131 PolarHBondContact O-N 2.72Å; A128-E131 PolarHBondContact O-N 3.08Å; Q129-E131 VanDerWaalsContact C-N 3.29Å; Q129-E131 PolarHBondContact O-N 2.85Å; E131-K134 PolarHBondContact O-N 3.42Å; E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 2.97Å |
| 132 | E | 96.3 | Very high | 94 | Very high | 134 Ų | 134 | 100.6 Ų | 100.6 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 173.4 | -71.8 | 178.1 | 179.5 | 0 | 0 | 111.6 | A128 Q129 K134 Q135 H136 | A128-E132 WeakPolarHBondContact O-CG 3.38Å; A128-E132 PolarHBondContact O-N 3.07Å; Q129-E132 PolarHBondContact O-N 3.03Å; E132-K134 VanDerWaalsContact C-N 3.32Å; E132-K134 PolarHBondContact O-N 3.35Å; E132-Q135 PolarHBondContact O-N 3.44Å; E132-Q135 VanDerWaalsContact O-N 3.16Å; E132-H136 WeakPolarHBondContact O-CB 3.29Å; E132-H136 PolarHBondContact O-N 3.3Å |
| 133 | E | 94.7 | Very high | 93.4 | Very high | 116 Ų | 116 | 96.7 Ų | 96.7 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 175.9 | -74.2 | 178.6 | -176.8 | 0 | 0 | 111.7 | Q129 H136 L137 | Q129-E133 WeakPolarHBondContact O-CG 3.17Å; Q129-E133 PolarHBondContact O-N 3.43Å; E133-H136 PolarHBondContact O-N 3.21Å; E133-L137 WeakPolarHBondContact O-CB 3.35Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.39Å; E133-L137 PolarHBondContact O-N 3.45Å |
| 134 | K | 95.6 | Very high | 92.7 | Very high | 135 Ų | 135 | 101.2 Ų | 101.2 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 174.6 | 178.1 | -172 | 171.4 | -174.1 | 0 | 111.2 | L130 E131 E132 H136 L137 L138 | L130-K134 VanDerWaalsContact O-CB 3.26Å; L130-K134 WeakPolarHBondContact O-CB 3.29Å; L130-K134 PolarHBondContact O-N 3.48Å; E131-K134 PolarHBondContact O-N 3.42Å; E132-K134 VanDerWaalsContact C-N 3.32Å; E132-K134 PolarHBondContact O-N 3.35Å; K134-H136 VanDerWaalsContact C-N 3.33Å; K134-L137 PolarHBondContact O-N 3.47Å; K134-L138 HydrophobicContact CG-CD1 4.18Å; K134-L138 WeakPolarHBondContact O-CB 3.27Å; K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.38Å; K134-L138 PolarHBondContact O-N 2.9Å |
| 135 | Q | 95.1 | Very high | 91.7 | Very high | 134 Ų | 134 | 101.6 Ų | 101.6 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 177.2 | -75 | -177.6 | 5.4 | 0 | 0 | 111.3 | E131 E132 L138 F139 | E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 2.97Å; E132-Q135 PolarHBondContact O-N 3.44Å; E132-Q135 VanDerWaalsContact O-N 3.16Å; Q135-L138 PolarHBondContact O-N 3.35Å; Q135-F139 WeakPolarHBondContact O-CB 3.3Å; Q135-F139 PolarHBondContact O-N 2.67Å |
| 136 | H | 93.8 | Very high | 90.5 | Very high | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.5 | -178.3 | -92.6 | 0 | 0 | 0 | 111.9 | E132 E133 K134 L138 F139 M140 | E132-H136 WeakPolarHBondContact O-CB 3.29Å; E132-H136 PolarHBondContact O-N 3.3Å; E133-H136 PolarHBondContact O-N 3.21Å; K134-H136 VanDerWaalsContact C-N 3.33Å; H136-L138 PolarHBondContact O-N 2.99Å; H136-F139 WeakPolarHBondContact O-CB 3.35Å; H136-F139 PolarHBondContact O-N 2.88Å; H136-M140 VanDerWaalsContact O-CG 3.31Å; H136-M140 WeakPolarHBondContact O-CG 3.34Å; H136-M140 PolarHBondContact O-N 3.45Å |
| 137 | L | 93.4 | Very high | 89 | Confident | 111 Ų | 111 | 104.4 Ų | 104.4 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 176.6 | -73.4 | 173.1 | 0 | 0 | 0 | 112.5 | E133 K134 M140 S141 | E133-L137 WeakPolarHBondContact O-CB 3.35Å; E133-L137 VanDerWaalsContact O-CG 3.31Å; E133-L137 WeakPolarHBondContact O-CG 3.39Å; E133-L137 PolarHBondContact O-N 3.45Å; K134-L137 PolarHBondContact O-N 3.47Å; L137-M140 PolarHBondContact O-N 3.19Å; L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.09Å |
| 138 | L | 92.8 | Very high | 87.2 | Confident | 91 Ų | 91 | 107.9 Ų | 107.9 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.6 | -73.4 | 173.2 | 0 | 0 | 0 | 111.4 | K134 Q135 H136 S141 Q142 | K134-L138 HydrophobicContact CG-CD1 4.18Å; K134-L138 WeakPolarHBondContact O-CB 3.27Å; K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.38Å; K134-L138 PolarHBondContact O-N 2.9Å; Q135-L138 PolarHBondContact O-N 3.35Å; H136-L138 PolarHBondContact O-N 2.99Å; L138-S141 WeakPolarHBondContact O-CB 3.35Å; L138-S141 PolarHBondContact O-N 2.95Å; L138-Q142 WeakPolarHBondContact O-CG 3.35Å; L138-Q142 PolarHBondContact O-N 3.37Å |
| 139 | F | 92.3 | Very high | 85.2 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 174.5 | 178.9 | -106.2 | 0 | 0 | 0 | 111.8 | Q135 H136 S141 Q142 I143 | Q135-F139 WeakPolarHBondContact O-CB 3.3Å; Q135-F139 PolarHBondContact O-N 2.67Å; H136-F139 WeakPolarHBondContact O-CB 3.35Å; H136-F139 PolarHBondContact O-N 2.88Å; F139-S141 VanDerWaalsContact C-N 3.25Å; F139-S141 PolarHBondContact O-N 3.06Å; F139-Q142 WeakPolarHBondContact O-CB 3.27Å; F139-Q142 PolarHBondContact O-N 3.27Å; F139-I143 HydrophobicContact CD1-CD1 3.99Å; F139-I143 HydrophobicContact CE1-CD1 3.35Å; F139-I143 HydrophobicContact CE1-CG1 4.26Å; F139-I143 HydrophobicContact CE2-CD1 4.32Å; F139-I143 HydrophobicContact CZ-CD1 3.56Å; F139-I143 HydrophobicContact CZ-CG1 4.2Å; F139-I143 PolarHBondContact O-N 3.04Å |
| 140 | M | 89.4 | Confident | 83.1 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 38% | 0.379 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -31 | 174.7 | -70.3 | -64.1 | -69.6 | 0 | 0 | 113 | H136 L137 R144 | H136-M140 VanDerWaalsContact O-CG 3.31Å; H136-M140 WeakPolarHBondContact O-CG 3.34Å; H136-M140 PolarHBondContact O-N 3.45Å; L137-M140 PolarHBondContact O-N 3.19Å; M140-R144 PolarHBondContact O-N 3.2Å; M140-R144 PolarHBondContact O-NE 3.17Å |
| 141 | S | 87.5 | Confident | 80.5 | Confident | 43 Ų | 43 | 111 Ų | 111 | 30% | 0.301 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.6 | -38.8 | 171.8 | -179.5 | 0 | 0 | 0 | 0 | 112 | L137 L138 F139 R144 K145 | L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.09Å; L138-S141 WeakPolarHBondContact O-CB 3.35Å; L138-S141 PolarHBondContact O-N 2.95Å; F139-S141 VanDerWaalsContact C-N 3.25Å; F139-S141 PolarHBondContact O-N 3.06Å; S141-R144 PolarHBondContact O-N 3.19Å; S141-K145 WeakPolarHBondContact O-CG 3.38Å; S141-K145 PolarHBondContact O-N 2.92Å; S141-K145 VanDerWaalsContact O-N 3.13Å |
| 142 | Q | 86.1 | Confident | 78.1 | Confident | 116 Ų | 116 | 111.3 Ų | 111.3 | 54% | 0.542 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.5 | -41.3 | 176.3 | -72 | 173.2 | 16 | 0 | 0 | 111.9 | L138 F139 K145 L146 | L138-Q142 WeakPolarHBondContact O-CG 3.35Å; L138-Q142 PolarHBondContact O-N 3.37Å; F139-Q142 WeakPolarHBondContact O-CB 3.27Å; F139-Q142 PolarHBondContact O-N 3.27Å; Q142-K145 PolarHBondContact O-N 3.18Å; Q142-L146 WeakPolarHBondContact O-CG 3.46Å; Q142-L146 PolarHBondContact O-N 2.67Å; Q142-L146 VanDerWaalsContact O-N 3.08Å |
| 143 | I | 83.9 | Confident | 75.3 | Confident | 62 Ų | 62 | 112.5 Ų | 112.5 | 32% | 0.318 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.8 | -48.7 | 173.2 | -69.3 | -179.2 | 0 | 0 | 0 | 110.6 | F139 K145 L146 D147 | F139-I143 HydrophobicContact CD1-CD1 3.99Å; F139-I143 HydrophobicContact CE1-CD1 3.35Å; F139-I143 HydrophobicContact CE1-CG1 4.26Å; F139-I143 HydrophobicContact CE2-CD1 4.32Å; F139-I143 HydrophobicContact CZ-CD1 3.56Å; F139-I143 HydrophobicContact CZ-CG1 4.2Å; F139-I143 PolarHBondContact O-N 3.04Å; I143-K145 VanDerWaalsContact C-N 3.25Å; I143-K145 PolarHBondContact O-N 3.2Å; I143-L146 WeakPolarHBondContact O-CB 3.48Å; I143-L146 PolarHBondContact O-N 2.88Å; I143-D147 PolarHBondContact O-N 2.75Å |
| 144 | R | 80.2 | Confident | 72.6 | Confident | 153 Ų | 153 | 115.9 Ų | 115.9 | 58% | 0.577 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.7 | -38.2 | 178.1 | -85.6 | -176.8 | -76.4 | -158.6 | -0.7 | 113.4 | M140 S141 D147 E148 | M140-R144 PolarHBondContact O-N 3.2Å; M140-R144 PolarHBondContact O-NE 3.17Å; S141-R144 PolarHBondContact O-N 3.19Å; R144-D147 PolarHBondContact O-N 2.92Å; R144-E148 PolarHBondContact O-N 3.01Å |
| 145 | K | 75.1 | Confident | 70 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 52% | 0.522 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.4 | -39.6 | 175.5 | -70.8 | 174.5 | -177.7 | -175.4 | 0 | 112.1 | S141 Q142 I143 E148 D149 | S141-K145 WeakPolarHBondContact O-CG 3.38Å; S141-K145 PolarHBondContact O-N 2.92Å; S141-K145 VanDerWaalsContact O-N 3.13Å; Q142-K145 PolarHBondContact O-N 3.18Å; I143-K145 VanDerWaalsContact C-N 3.25Å; I143-K145 PolarHBondContact O-N 3.2Å; K145-E148 PolarHBondContact O-N 2.73Å; K145-D149 PolarHBondContact O-N 3.4Å |
| 146 | L | 70.7 | Confident | 67.2 | Low | 112 Ų | 112 | 119.2 Ų | 119.2 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.2 | -34.7 | 175.9 | -69.4 | 166.1 | 0 | 0 | 0 | 112.2 | Q142 I143 D149 T150 | Q142-L146 WeakPolarHBondContact O-CG 3.46Å; Q142-L146 PolarHBondContact O-N 2.67Å; Q142-L146 VanDerWaalsContact O-N 3.08Å; I143-L146 WeakPolarHBondContact O-CB 3.48Å; I143-L146 PolarHBondContact O-N 2.88Å; L146-D149 PolarHBondContact O-N 2.97Å; L146-T150 PolarHBondContact O-N 3.43Å; L146-T150 VanDerWaalsContact O-N 3.14Å; L146-T150 PolarHBondContact O-OG1 3.28Å |
| 147 | D | 65.8 | Low | 64.2 | Low | 98 Ų | 98 | 117.5 Ų | 117.5 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.6 | -35.8 | 173.5 | -73.3 | -20.2 | 0 | 0 | 0 | 112.1 | I143 R144 T150 | I143-D147 PolarHBondContact O-N 2.75Å; R144-D147 PolarHBondContact O-N 2.92Å; D147-T150 WeakPolarHBondContact CA-OG1 3.36Å; D147-T150 PolarHBondContact O-N 2.81Å; D147-T150 PolarHBondContact O-OG1 3.46Å |
| 148 | E | 57.9 | Low | 61.3 | Low | 150 Ų | 150 | 120.2 Ų | 120.2 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.1 | -40 | 169.8 | -82.9 | -179 | 156.6 | 0 | 0 | 111.7 | R144 K145 T150 | R144-E148 PolarHBondContact O-N 3.01Å; K145-E148 PolarHBondContact O-N 2.73Å; E148-T150 VanDerWaalsContact C-N 3.29Å; E148-T150 PolarHBondContact O-N 3.36Å |
| 149 | D | 53.6 | Low | 58.8 | Low | 139 Ų | 139 | 122 Ų | 122 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.2 | -12 | 179 | -72.8 | -29 | 0 | 0 | 0 | 113.7 | K145 L146 | K145-D149 PolarHBondContact O-N 3.4Å; L146-D149 PolarHBondContact O-N 2.97Å |
| 150 | T | 51.4 | Low | 56.4 | Low | 104 Ų | 104 | 122.3 Ų | 122.3 | 64% | 0.638 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 2.1 | 179.2 | 28.7 | 0 | 0 | 0 | 0 | 115 | L146 D147 E148 | L146-T150 PolarHBondContact O-N 3.43Å; L146-T150 VanDerWaalsContact O-N 3.14Å; L146-T150 PolarHBondContact O-OG1 3.28Å; D147-T150 WeakPolarHBondContact CA-OG1 3.36Å; D147-T150 PolarHBondContact O-N 2.81Å; D147-T150 PolarHBondContact O-OG1 3.46Å; E148-T150 VanDerWaalsContact C-N 3.29Å; E148-T150 PolarHBondContact O-N 3.36Å |
| 151 | S | 41.4 | Very low | 54.1 | Low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -92.5 | 116.2 | 169.8 | -71 | 0 | 0 | 0 | 0 | 111 | N153 | S151-N153 PolarHBondContact O-N 3.21Š|
| 152 | P | 42.9 | Very low | 51.4 | Low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | trans | -71 | 119.1 | 174.5 | 29.1 | -30.9 | 0 | 0 | 0 | 109.4 | E154 | P152-E154 PolarHBondContact O-N 3.14Š| ||
| 153 | N | 38.1 | Very low | 48.7 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | trans | -57 | 110.9 | 172.5 | -168.6 | 32.2 | 0 | 0 | 0 | 110.6 | S151 | S151-N153 PolarHBondContact O-N 3.21Š| ||
| 154 | E | 37.3 | Very low | 46.4 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | -104.1 | 146.7 | 158 | -79.4 | -152.5 | 163.5 | 0 | 0 | 110.7 | P152 | P152-E154 PolarHBondContact O-N 3.14Š| ||
| 155 | E | 41.1 | Very low | 44 | Very low | 150 Ų | 150 | 137 Ų | 137 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -71.6 | 162.5 | -157.2 | -65.2 | -175.6 | 146.4 | 0 | 0 | 117.5 | ||||
| 156 | K | 36.3 | Very low | 42.1 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | 78.6 | 132.2 | 140.1 | -85.1 | 162.5 | -176 | 147.9 | 0 | 120 | ||||
| 157 | G | 30.4 | Very low | 40.2 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 161.1 | 111.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 158 | D | 33 | Very low | 38.5 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -58.3 | 158.4 | 173.7 | -105.7 | -42 | 0 | 0 | 0 | 115.5 | ||||
| 159 | V | 41.4 | Very low | 37.3 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -58.3 | 160.6 | 176 | -128.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 160 | P | 42 | Very low | 36.3 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | -152.9 | 176.8 | 66.6 | 36.5 | -12.3 | 0 | 0 | 0 | 118 | |||||
| 161 | K | 41.1 | Very low | 35.2 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | trans | -37.9 | 143.1 | 169.4 | -76.7 | 171.1 | 165.5 | 176.6 | 0 | 115.9 | ||||
| 162 | D | 30.9 | Very low | 34.7 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | 177.8 | 141.9 | 107.1 | -102.3 | -17.8 | 0 | 0 | 0 | 115.1 | |||||
| 163 | T | 28.4 | Very low | 34 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 56.5 | 103.6 | 143.4 | 59.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 164 | L | 36.4 | Very low | 34 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -165.8 | 72.6 | 131.8 | -141.3 | 78.6 | 0 | 0 | 0 | 107.9 | ||||
| 165 | D | 29.6 | Very low | 33.4 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | 30 | 109.5 | 99.4 | -111.5 | 5.8 | 0 | 0 | 0 | 116.6 | |||||
| 166 | D | 34.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 149 Ų | 149 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | 91 | 89.1 | 119.7 | -136.2 | 16 | 0 | 0 | 0 | 119.1 | |||||
| 167 | L | 31.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -149.4 | 83.6 | 144.1 | -75.6 | -174.1 | 0 | 0 | 0 | 111.2 | ||
| 168 | F | 29 | Very low | 32.2 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 93 | 142.7 | 147.6 | -62.9 | -73.6 | 0 | 0 | 0 | 121.4 | ||||
| 169 | P | 32.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -114.2 | 166.5 | -143.4 | 10.6 | 15.7 | 0 | 0 | 0 | 114.4 | ||||
| 170 | N | 33.9 | Very low | 31.7 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -53.4 | 137.4 | 174 | -66.7 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 171 | E | 27.8 | Very low | 30.7 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -143.4 | 135.7 | 135.7 | -73.5 | -161.3 | 134.6 | 0 | 0 | 109.7 | ||||
| 172 | D | 31.7 | Very low | 30.2 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -54.5 | 132.7 | 165.9 | -64.8 | -70 | 0 | 0 | 0 | 111.2 | ||||
| 173 | E | 28.4 | Very low | 29.8 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 176.3 | 130.1 | 139.2 | -103.7 | -173.8 | 160.5 | 0 | 0 | 112.2 | ||||
| 174 | Q | 37.5 | Very low | 29.6 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 47.6 | 95.6 | 133.8 | -139.9 | 73.3 | 25.8 | 0 | 0 | 119 | P176 | Q174-P176 WeakPolarHBondContact O-CD 3.25Š| ||
| 175 | S | 25 | Very low | 29.3 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 124.5 | 161 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 176 | P | 30.5 | Very low | 29.2 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 164.5 | 177.9 | 35.6 | -32.9 | 0 | 0 | 0 | 112.5 | Q174 | Q174-P176 WeakPolarHBondContact O-CD 3.25Š|
| 177 | A | 24.7 | Very low | 28.7 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 166 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 178 | P | 27.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -128.8 | 124.4 | 131.2 | 33.4 | -20.9 | 0 | 0 | 0 | 112 | ||||
| 179 | S | 25.7 | Very low | 28.7 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -80.8 | 166.2 | 145.5 | -57.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 180 | P | 36.8 | Very low | 28.8 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | cis | -148.5 | 169.7 | 31.8 | 38.2 | -15.9 | 0 | 0 | 0 | 116.7 | ||||
| 181 | G | 21.8 | Very low | 29.1 | Very low | 77 Ų | 77 | 121.4 Ų | 121.4 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 176.8 | 95.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 182 | G | 29.9 | Very low | 30.6 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 93% | 0.928 | 75% | 0.745 | S | S | * | * | trans | -63.5 | 142.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 183 | G | 23.2 | Very low | 32 | Very low | 76 Ų | 76 | 117.5 Ų | 117.5 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | trans | -151 | 112.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 184 | D | 24.1 | Very low | 34.1 | Very low | 156 Ų | 156 | 111 Ų | 111 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | 1.4 | 117.9 | 174.4 | -88.9 | -42.8 | 0 | 0 | 0 | 120.1 | S186 | D184-S186 PolarHBondContact O-N 3.47Š| ||
| 185 | V | 30.8 | Very low | 36.1 | Very low | 151 Ų | 151 | 104.5 Ų | 104.5 | 92% | 0.915 | 69% | 0.689 | S | S | * | * | trans | -69.6 | 93.3 | 158.6 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 186 | S | 26.4 | Very low | 38.6 | Very low | 108 Ų | 108 | 102.5 Ų | 102.5 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -108.1 | 105.4 | 163 | 54 | 0 | 0 | 0 | 0 | 109.8 | D184 Q188 | D184-S186 PolarHBondContact O-N 3.47Å; S186-Q188 PolarHBondContact O-N 3.3Å | ||
| 187 | G | 26.1 | Very low | 40.8 | Very low | 57 Ų | 57 | 104 Ų | 104 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | trans | 13.4 | 96.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | H189 | G187-H189 PolarHBondContact O-N 2.85Å; G187-H189 PolarHBondContact O-ND1 3.43Å | ||
| 188 | Q | 27.2 | Very low | 43.4 | Very low | 197 Ų | 197 | 100.1 Ų | 100.1 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -50.2 | 100.6 | 160.9 | -78.8 | 175.7 | -6.2 | 0 | 0 | 110.8 | S186 | S186-Q188 PolarHBondContact O-N 3.3Š| ||
| 189 | H | 31.3 | Very low | 46.1 | Very low | 171 Ų | 171 | 101.3 Ų | 101.3 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | trans | -86 | 108.7 | 160.3 | -81.5 | 69.6 | 0 | 0 | 0 | 107.3 | G187 G191 | G187-H189 PolarHBondContact O-N 2.85Å; G187-H189 PolarHBondContact O-ND1 3.43Å; H189-G191 PolarHBondContact O-N 3.49Å | ||
| 190 | G | 34.6 | Very low | 49 | Very low | 30 Ų | 30 | 101.4 Ų | 101.4 | 31% | 0.309 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.9 | 121.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y192 | G190-Y192 WeakPolarHBondContact O-CD2 3.45Å; G190-Y192 PolarHBondContact O-N 3.13Å |
| 191 | G | 40.8 | Very low | 51.3 | Low | 45 Ų | 45 | 96.7 Ų | 96.7 | 46% | 0.464 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.9 | 10.8 | 155 | 0 | 0 | 0 | 0 | 0 | 118.7 | H189 | H189-G191 PolarHBondContact O-N 3.49Š|
| 192 | Y | 59.5 | Low | 54.3 | Low | 83 Ų | 83 | 94.2 Ų | 94.2 | 33% | 0.325 | 56% | 0.557 | S | S | . | * | trans | -113.1 | 82.2 | 175.7 | -74.6 | -86.6 | 0 | 0 | 0 | 110.8 | G190 I194 A283 N287 | G190-Y192 WeakPolarHBondContact O-CD2 3.45Å; G190-Y192 PolarHBondContact O-N 3.13Å; Y192-I194 PolarHBondContact O-N 3.27Å; Y192-A283 HydrophobicContact CD2-CB 4.43Å; Y192-A283 HydrophobicContact CE1-CB 4.13Å; Y192-A283 HydrophobicContact CE2-CB 3.54Å; Y192-A283 WeakPolarHBondContact OH-CB 3.29Å; Y192-A283 PolarHBondContact OH-O 3.11Å; Y192-N287 PolarHBondContact OH-ND2 3.4Å | ||
| 193 | E | 59.8 | Low | 57 | Low | 187 Ų | 187 | 94.2 Ų | 94.2 | 87% | 0.874 | 54% | 0.536 | S | S | * | . | trans | -82.3 | 109.4 | 167 | -71.4 | -177.8 | -173 | 0 | 0 | 108.7 | ||||
| 194 | I | 73.8 | Confident | 60.2 | Low | 45 Ų | 45 | 93.4 Ų | 93.4 | 23% | 0.231 | 51% | 0.513 | C | S | . | . | trans | -87 | 122.3 | 174.8 | -57.4 | 176.9 | 0 | 0 | 0 | 107.1 | Y192 A196 L198 H202 T241 | Y192-I194 PolarHBondContact O-N 3.27Å; I194-A196 PolarHBondContact O-N 3.21Å; I194-L198 HydrophobicContact CG2-CB 4.06Å; I194-H202 WeakPolarHBondContact CD1-CD2 3.43Å; I194-H202 VanDerWaalsContact CD1-CE1 3.42Å; I194-H202 WeakPolarHBondContact CD1-CE1 3.39Å; I194-H202 WeakPolarHBondContact CD1-NE2 3.13Å; I194-H202 HydrophobicContact CG2-CB 4.25Å; I194-T241 HydrophobicContact CG1-CG2 4.46Å; I194-T241 HydrophobicContact CG2-CG2 4.34Å | ||
| 195 | P | 78.1 | Confident | 63.3 | Low | 32 Ų | 32 | 86 Ų | 86 | 21% | 0.208 | 47% | 0.474 | C | S | . | . | trans | -52 | 141.4 | 179.6 | -27.3 | 34 | 0 | 0 | 0 | 112 | R197 L198 R199 D238 | P195-R197 HydrophobicContact CB-CG 4.33Å; P195-R197 PolarHBondContact O-N 2.87Å; P195-R197 VanDerWaalsContact O-N 3.12Å; P195-L198 HydrophobicContact CG-CD1 4.31Å; P195-L198 PolarHBondContact O-N 3.36Å; P195-R199 PolarHBondContact O-N 2.93Å; P195-R199 VanDerWaalsContact O-N 3.12Å; P195-D238 WeakPolarHBondContact CG-OD1 3.37Å | ||
| 196 | A | 77.9 | Confident | 65.9 | Low | 78 Ų | 78 | 82.9 Ų | 82.9 | 65% | 0.645 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -54.1 | -38.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I194 L198 R199 | I194-A196 PolarHBondContact O-N 3.21Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.22Å; A196-R199 WeakPolarHBondContact O-CB 3.47Å; A196-R199 PolarHBondContact O-N 2.73Å |
| 197 | R | 77.1 | Confident | 69 | Low | 146 Ų | 146 | 82.5 Ų | 82.5 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.3 | -28.5 | 176.7 | 69.5 | -177.2 | -179.5 | -105.8 | 16.8 | 114.2 | P195 H236 D238 | P195-R197 HydrophobicContact CB-CG 4.33Å; P195-R197 PolarHBondContact O-N 2.87Å; P195-R197 VanDerWaalsContact O-N 3.12Å; R197-H236 PolarHBondContact NH2-CE1 3.3Å; R197-D238 VanDerWaalsContact CZ-CG 3.47Å; R197-D238 IonicContact CZ-OD1 3.34Å; R197-D238 IonicContact CZ-OD2 2.78Å; R197-D238 IonicContact NE-OD2 2.78Å; R197-D238 PolarHBondContact NE-OD2 3.1Å; R197-D238 IonicContact NH1-OD2 3.53Å; R197-D238 IonicContact NH2-OD1 3.91Å; R197-D238 PolarHBondContact NH2-OD1 3.09Å; R197-D238 IonicContact NH2-OD2 2.84Å; R197-D238 PolarHBondContact NH2-OD2 3.43Å |
| 198 | L | 80.4 | Confident | 72 | Confident | 9 Ų | 9 | 82.4 Ų | 82.4 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -94.5 | -10.2 | 179.2 | -65 | -178.1 | 0 | 0 | 0 | 113.2 | I194 P195 A196 T200 L201 H202 L228 D238 M242 | I194-L198 HydrophobicContact CG2-CB 4.06Å; P195-L198 HydrophobicContact CG-CD1 4.31Å; P195-L198 PolarHBondContact O-N 3.36Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 3.22Å; L198-T200 PolarHBondContact O-N 3.28Å; L198-L201 HydrophobicContact CD2-CD2 4.47Å; L198-L201 PolarHBondContact O-N 3.43Å; L198-H202 WeakPolarHBondContact O-CB 3.39Å; L198-H202 PolarHBondContact O-N 3.31Å; L198-L228 HydrophobicContact CD1-CD1 4.25Å; L198-L228 HydrophobicContact CD2-CD1 3.85Å; L198-L228 HydrophobicContact CD2-CD2 4.24Å; L198-L228 HydrophobicContact CD2-CG 4.45Å; L198-D238 HydrophobicContact CD1-CB 3.75Å; L198-D238 WeakPolarHBondContact CD1-OD2 3.29Å; L198-M242 HydrophobicContact CD1-CG 3.94Å; L198-M242 HydrophobicContact CD1-SD 4.28Å; L198-M242 HydrophobicContact CD2-CG 4.13Å; L198-M242 HydrophobicContact CD2-SD 4.09Å |
| 199 | R | 83.9 | Confident | 74.9 | Confident | 151 Ų | 151 | 73.5 Ų | 73.5 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | -172.2 | -171.1 | 154.6 | 60.5 | 117.7 | -2.6 | 113 | P195 A196 H202 N203 | P195-R199 PolarHBondContact O-N 2.93Å; P195-R199 VanDerWaalsContact O-N 3.12Å; A196-R199 WeakPolarHBondContact O-CB 3.47Å; A196-R199 PolarHBondContact O-N 2.73Å; R199-H202 PolarHBondContact O-N 3.13Å; R199-N203 WeakPolarHBondContact O-CB 3.38Å; R199-N203 PolarHBondContact O-N 2.8Å; R199-N203 PolarHBondContact O-ND2 2.88Å; R199-N203 PolarHBondContact O-OD1 3.07Å |
| 200 | T | 86 | Confident | 77.6 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 67% | 0.669 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.6 | -48 | 177.1 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | L198 N203 L204 | L198-T200 PolarHBondContact O-N 3.28Å; T200-N203 PolarHBondContact O-N 3.4Å; T200-L204 WeakPolarHBondContact O-CB 3.47Å; T200-L204 PolarHBondContact O-N 3.27Å |
| 201 | L | 85.7 | Confident | 80.3 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 175.5 | -178.6 | 71.3 | 0 | 0 | 0 | 111.5 | L198 N203 L204 V205 L220 A224 M242 | L198-L201 HydrophobicContact CD2-CD2 4.47Å; L198-L201 PolarHBondContact O-N 3.43Å; L201-N203 PolarHBondContact O-N 3.29Å; L201-L204 PolarHBondContact O-N 2.96Å; L201-V205 VanDerWaalsContact O-CG2 3.27Å; L201-V205 WeakPolarHBondContact O-CG2 3.06Å; L201-V205 PolarHBondContact O-N 2.97Å; L201-L220 HydrophobicContact CD1-CD1 3.85Å; L201-L220 HydrophobicContact CD1-CD2 3.93Å; L201-L220 HydrophobicContact CD1-CG 3.7Å; L201-A224 HydrophobicContact CD2-CB 3.22Å; L201-A224 HydrophobicContact CG-CB 4.43Å; L201-M242 HydrophobicContact CD2-CE 3.62Å; L201-M242 HydrophobicContact CD2-SD 3.92Å; L201-M242 HydrophobicContact CG-CE 4.41Å |
| 202 | H | 83.5 | Confident | 82.5 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 11% | 0.111 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 176.7 | 173.7 | 73 | 0 | 0 | 0 | 111.9 | I194 L198 R199 L204 V205 I206 I245 | I194-H202 WeakPolarHBondContact CD1-CD2 3.43Å; I194-H202 VanDerWaalsContact CD1-CE1 3.42Å; I194-H202 WeakPolarHBondContact CD1-CE1 3.39Å; I194-H202 WeakPolarHBondContact CD1-NE2 3.13Å; I194-H202 HydrophobicContact CG2-CB 4.25Å; L198-H202 WeakPolarHBondContact O-CB 3.39Å; L198-H202 PolarHBondContact O-N 3.31Å; R199-H202 PolarHBondContact O-N 3.13Å; H202-L204 VanDerWaalsContact C-N 3.32Å; H202-L204 PolarHBondContact O-N 3.12Å; H202-V205 PolarHBondContact O-N 3.44Å; H202-I206 WeakPolarHBondContact CE1-CD1 3.37Å; H202-I206 WeakPolarHBondContact NE2-CD1 3.5Å; H202-I206 WeakPolarHBondContact O-CG1 3.43Å; H202-I206 PolarHBondContact O-N 3.45Å; H202-I245 HydrophobicContact CB-CD1 4.01Å; H202-I245 WeakPolarHBondContact ND1-CD1 3.37Å; H202-I245 VanDerWaalsContact ND1-CG1 3.28Å; H202-I245 WeakPolarHBondContact ND1-CG1 3.33Å |
| 203 | N | 87.8 | Confident | 84.1 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.2 | -70.6 | -11.1 | 0 | 0 | 0 | 111.4 | R199 T200 L201 I206 Q207 | R199-N203 WeakPolarHBondContact O-CB 3.38Å; R199-N203 PolarHBondContact O-N 2.8Å; R199-N203 PolarHBondContact O-ND2 2.88Å; R199-N203 PolarHBondContact O-OD1 3.07Å; T200-N203 PolarHBondContact O-N 3.4Å; L201-N203 PolarHBondContact O-N 3.29Å; N203-I206 PolarHBondContact O-N 3.24Å; N203-Q207 WeakPolarHBondContact O-CB 3.5Å; N203-Q207 PolarHBondContact O-N 3.13Å |
| 204 | L | 89.7 | Confident | 85.6 | Confident | 59 Ų | 59 | 68 Ų | 68 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 178 | -172 | 61.8 | 0 | 0 | 0 | 111.8 | T200 L201 H202 Q207 Y208 L220 | T200-L204 WeakPolarHBondContact O-CB 3.47Å; T200-L204 PolarHBondContact O-N 3.27Å; L201-L204 PolarHBondContact O-N 2.96Å; H202-L204 VanDerWaalsContact C-N 3.32Å; H202-L204 PolarHBondContact O-N 3.12Å; L204-Q207 PolarHBondContact O-N 3.13Å; L204-Y208 HydrophobicContact CD1-CD2 4.14Å; L204-Y208 HydrophobicContact CD1-CE2 3.48Å; L204-Y208 VanDerWaalsContact CD1-CE2 3.48Å; L204-Y208 HydrophobicContact CD2-CE2 3.95Å; L204-Y208 HydrophobicContact CG-CD2 3.91Å; L204-Y208 HydrophobicContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact O-CD2 3.25Å; L204-Y208 WeakPolarHBondContact O-CD2 3.13Å; L204-Y208 PolarHBondContact O-N 3.02Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CG-CD2 4.19Å |
| 205 | V | 88.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 175 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | L201 H202 Q207 Y208 A209 A217 L220 C221 I245 V249 | L201-V205 VanDerWaalsContact O-CG2 3.27Å; L201-V205 WeakPolarHBondContact O-CG2 3.06Å; L201-V205 PolarHBondContact O-N 2.97Å; H202-V205 PolarHBondContact O-N 3.44Å; V205-Q207 VanDerWaalsContact C-N 3.29Å; V205-Q207 PolarHBondContact O-N 3.31Å; V205-Y208 PolarHBondContact O-N 3.4Å; V205-A209 VanDerWaalsContact O-CB 3.28Å; V205-A209 WeakPolarHBondContact O-CB 3.47Å; V205-A209 PolarHBondContact O-N 3.24Å; V205-A217 HydrophobicContact CG1-CB 4.48Å; V205-L220 HydrophobicContact CG2-CD2 4Å; V205-L220 HydrophobicContact CG2-CG 4.41Å; V205-C221 WeakPolarHBondContact CG1-SG 3.33Å; V205-C221 WeakPolarHBondContact CG2-SG 3.42Å; V205-I245 HydrophobicContact CB-CG2 4.29Å; V205-I245 HydrophobicContact CG1-CG2 3.64Å; V205-V249 HydrophobicContact CG1-CG2 3.71Å |
| 206 | I | 87.2 | Confident | 86.9 | Confident | 84 Ų | 84 | 72 Ų | 72 | 43% | 0.431 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 175.6 | -73.1 | -178.3 | 0 | 0 | 0 | 110.5 | H202 N203 A209 S210 | H202-I206 WeakPolarHBondContact CE1-CD1 3.37Å; H202-I206 WeakPolarHBondContact NE2-CD1 3.5Å; H202-I206 WeakPolarHBondContact O-CG1 3.43Å; H202-I206 PolarHBondContact O-N 3.45Å; N203-I206 PolarHBondContact O-N 3.24Å; I206-A209 PolarHBondContact O-N 3.1Å; I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.31Å; I206-S210 PolarHBondContact O-N 3.28Å; I206-S210 PolarHBondContact O-OG 3.28Å |
| 207 | Q | 89.8 | Confident | 87.5 | Confident | 101 Ų | 101 | 68.2 Ų | 68.2 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 179.2 | -173 | 177.5 | 19.7 | 0 | 0 | 110.8 | N203 L204 V205 A209 S210 Q211 | N203-Q207 WeakPolarHBondContact O-CB 3.5Å; N203-Q207 PolarHBondContact O-N 3.13Å; L204-Q207 PolarHBondContact O-N 3.13Å; V205-Q207 VanDerWaalsContact C-N 3.29Å; V205-Q207 PolarHBondContact O-N 3.31Å; Q207-A209 PolarHBondContact O-N 2.89Å; Q207-S210 PolarHBondContact O-N 2.97Å; Q207-S210 PolarHBondContact O-OG 3.18Å; Q207-Q211 VanDerWaalsContact O-CG 3.31Å; Q207-Q211 WeakPolarHBondContact O-CG 3.45Å; Q207-Q211 PolarHBondContact O-N 3.17Å; Q207-Q211 VanDerWaalsContact O-N 3.11Å |
| 208 | Y | 90.4 | Very high | 88.2 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.6 | -69.7 | -47 | 0 | 0 | 0 | 112.7 | L204 V205 S210 Q211 G212 R213 V216 L220 | L204-Y208 HydrophobicContact CD1-CD2 4.14Å; L204-Y208 HydrophobicContact CD1-CE2 3.48Å; L204-Y208 VanDerWaalsContact CD1-CE2 3.48Å; L204-Y208 HydrophobicContact CD2-CE2 3.95Å; L204-Y208 HydrophobicContact CG-CD2 3.91Å; L204-Y208 HydrophobicContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact CG-CE2 3.43Å; L204-Y208 VanDerWaalsContact O-CD2 3.25Å; L204-Y208 WeakPolarHBondContact O-CD2 3.13Å; L204-Y208 PolarHBondContact O-N 3.02Å; V205-Y208 PolarHBondContact O-N 3.4Å; Y208-S210 PolarHBondContact O-N 3.29Å; Y208-Q211 PolarHBondContact O-N 2.82Å; Y208-G212 PolarHBondContact O-N 2.79Å; Y208-R213 HydrophobicContact CD1-CB 4.46Å; Y208-R213 PolarHBondContact O-N 3.4Å; Y208-V216 HydrophobicContact CD2-CB 4.46Å; Y208-V216 HydrophobicContact CD2-CG1 3.87Å; Y208-V216 HydrophobicContact CE2-CG1 3.76Å; Y208-V216 HydrophobicContact CG-CB 4.48Å; Y208-V216 HydrophobicContact CG-CG1 4.32Å; Y208-L220 HydrophobicContact CD2-CD2 4.41Å; Y208-L220 HydrophobicContact CE2-CD2 4.39Å |
| 209 | A | 87.4 | Confident | 88.8 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V205 I206 Q207 Q211 G212 Y214 V249 | V205-A209 VanDerWaalsContact O-CB 3.28Å; V205-A209 WeakPolarHBondContact O-CB 3.47Å; V205-A209 PolarHBondContact O-N 3.24Å; I206-A209 PolarHBondContact O-N 3.1Å; Q207-A209 PolarHBondContact O-N 2.89Å; A209-Q211 VanDerWaalsContact C-N 3.27Å; A209-Q211 PolarHBondContact O-N 3.14Å; A209-G212 PolarHBondContact O-N 2.77Å; A209-Y214 HydrophobicContact CB-CE1 4.19Å; A209-V249 HydrophobicContact CB-CG2 4.19Å |
| 210 | S | 88.4 | Confident | 89.1 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.9 | -29.8 | 178.1 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | I206 Q207 Y208 G212 | I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.31Å; I206-S210 PolarHBondContact O-N 3.28Å; I206-S210 PolarHBondContact O-OG 3.28Å; Q207-S210 PolarHBondContact O-N 2.97Å; Q207-S210 PolarHBondContact O-OG 3.18Å; Y208-S210 PolarHBondContact O-N 3.29Å; S210-G212 PolarHBondContact O-N 3.34Å |
| 211 | Q | 90.8 | Very high | 89.4 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 48% | 0.477 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4 | 173.5 | -67.7 | 170.1 | 12.5 | 0 | 0 | 112.6 | Q207 Y208 A209 R213 | Q207-Q211 VanDerWaalsContact O-CG 3.31Å; Q207-Q211 WeakPolarHBondContact O-CG 3.45Å; Q207-Q211 PolarHBondContact O-N 3.17Å; Q207-Q211 VanDerWaalsContact O-N 3.11Å; Y208-Q211 PolarHBondContact O-N 2.82Å; A209-Q211 VanDerWaalsContact C-N 3.27Å; A209-Q211 PolarHBondContact O-N 3.14Å; Q211-R213 HydrophobicContact CB-CG 4.19Å; Q211-R213 PolarHBondContact O-N 3.05Å |
| 212 | G | 87.5 | Confident | 89.7 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 38% | 0.381 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 10.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y208 A209 S210 Y214 | Y208-G212 PolarHBondContact O-N 2.79Å; A209-G212 PolarHBondContact O-N 2.77Å; S210-G212 PolarHBondContact O-N 3.34Å; G212-Y214 VanDerWaalsContact O-CD2 3.31Å; G212-Y214 WeakPolarHBondContact O-CD2 3.47Å; G212-Y214 PolarHBondContact O-N 2.94Å |
| 213 | R | 92.2 | Very high | 90.1 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | trans | -83.9 | 60.6 | -179.8 | -69.5 | -171.2 | 65.6 | -168.2 | 1.4 | 112 | Y208 Q211 E215 V216 A217 | Y208-R213 HydrophobicContact CD1-CB 4.46Å; Y208-R213 PolarHBondContact O-N 3.4Å; Q211-R213 HydrophobicContact CB-CG 4.19Å; Q211-R213 PolarHBondContact O-N 3.05Å; R213-E215 WeakPolarHBondContact CA-OE1 3.46Å; R213-E215 WeakPolarHBondContact CA-OE2 3.5Å; R213-E215 VanDerWaalsContact CB-OE1 3.29Å; R213-E215 WeakPolarHBondContact CB-OE1 3.46Å; R213-E215 WeakPolarHBondContact CG-OE1 3.47Å; R213-E215 IonicContact NE-OE1 3.03Å; R213-E215 PolarHBondContact NE-OE1 3.13Å; R213-E215 PolarHBondContact O-N 3.46Å; R213-V216 PolarHBondContact O-N 3.39Å; R213-A217 PolarHBondContact O-N 3.36Å | ||
| 214 | Y | 91.2 | Very high | 90.3 | Very high | 64 Ų | 64 | 58 Ų | 58 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.7 | -24.6 | -177 | -62.5 | -59.9 | 0 | 0 | 0 | 113.7 | A209 G212 V216 V218 V249 D252 Q253 | A209-Y214 HydrophobicContact CB-CE1 4.19Å; G212-Y214 VanDerWaalsContact O-CD2 3.31Å; G212-Y214 WeakPolarHBondContact O-CD2 3.47Å; G212-Y214 PolarHBondContact O-N 2.94Å; Y214-V216 PolarHBondContact O-N 2.93Å; Y214-V218 WeakPolarHBondContact O-CB 3.48Å; Y214-V218 WeakPolarHBondContact O-CG2 3.16Å; Y214-V218 PolarHBondContact O-N 2.96Å; Y214-V218 VanDerWaalsContact O-N 3.09Å; Y214-V249 HydrophobicContact CD1-CG1 3.81Å; Y214-V249 HydrophobicContact CE1-CG1 4.31Å; Y214-D252 HydrophobicContact CE1-CB 4.19Å; Y214-D252 WeakPolarHBondContact OH-CB 3.46Å; Y214-Q253 HydrophobicContact CD1-CG 3.73Å; Y214-Q253 HydrophobicContact CD2-CG 3.75Å; Y214-Q253 HydrophobicContact CE1-CG 4.02Å; Y214-Q253 HydrophobicContact CE2-CG 4.05Å; Y214-Q253 HydrophobicContact CG-CG 3.58Å |
| 215 | E | 88.9 | Confident | 90.4 | Very high | 117 Ų | 117 | 55.8 Ų | 55.8 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -25.7 | 175.9 | 73.7 | -66.8 | 161.8 | 0 | 0 | 113.1 | R213 P219 | R213-E215 WeakPolarHBondContact CA-OE1 3.46Å; R213-E215 WeakPolarHBondContact CA-OE2 3.5Å; R213-E215 VanDerWaalsContact CB-OE1 3.29Å; R213-E215 WeakPolarHBondContact CB-OE1 3.46Å; R213-E215 WeakPolarHBondContact CG-OE1 3.47Å; R213-E215 IonicContact NE-OE1 3.03Å; R213-E215 PolarHBondContact NE-OE1 3.13Å; R213-E215 PolarHBondContact O-N 3.46Å; E215-P219 WeakPolarHBondContact O-CD 3.4Å; E215-P219 WeakPolarHBondContact O-CG 3.18Å |
| 216 | V | 89.9 | Confident | 90.6 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 26% | 0.261 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -97.4 | -42.1 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 111 | Y208 R213 Y214 V218 P219 L220 | Y208-V216 HydrophobicContact CD2-CB 4.46Å; Y208-V216 HydrophobicContact CD2-CG1 3.87Å; Y208-V216 HydrophobicContact CE2-CG1 3.76Å; Y208-V216 HydrophobicContact CG-CB 4.48Å; Y208-V216 HydrophobicContact CG-CG1 4.32Å; R213-V216 PolarHBondContact O-N 3.39Å; Y214-V216 PolarHBondContact O-N 2.93Å; V216-V218 PolarHBondContact O-N 3.13Å; V216-P219 WeakPolarHBondContact O-CD 3.07Å; V216-L220 VanDerWaalsContact O-CB 3.24Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 PolarHBondContact O-N 3.16Å |
| 217 | A | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V205 R213 C221 V249 | V205-A217 HydrophobicContact CG1-CB 4.48Å; R213-A217 PolarHBondContact O-N 3.36Å; A217-C221 PolarHBondContact O-N 3.36Å; A217-C221 PolarHBondContact O-SG 3.08Å; A217-C221 VanDerWaalsContact O-SG 3.4Å; A217-V249 HydrophobicContact CB-CG1 4.3Å |
| 218 | V | 92.1 | Very high | 90.7 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.7 | -50.5 | -176.3 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | Y214 V216 L220 C221 K222 L246 V249 Y250 Q253 | Y214-V218 WeakPolarHBondContact O-CB 3.48Å; Y214-V218 WeakPolarHBondContact O-CG2 3.16Å; Y214-V218 PolarHBondContact O-N 2.96Å; Y214-V218 VanDerWaalsContact O-N 3.09Å; V216-V218 PolarHBondContact O-N 3.13Å; V218-L220 VanDerWaalsContact C-N 3.29Å; V218-L220 PolarHBondContact O-N 3.38Å; V218-C221 PolarHBondContact O-N 3.47Å; V218-K222 HydrophobicContact CG1-CD 4.36Å; V218-K222 WeakPolarHBondContact O-CG 3.45Å; V218-K222 PolarHBondContact O-N 3.38Å; V218-L246 HydrophobicContact CG1-CD1 4.26Å; V218-L246 HydrophobicContact CG2-CD1 4.36Å; V218-V249 HydrophobicContact CG2-CG1 3.77Å; V218-Y250 HydrophobicContact CG1-CE1 3.96Å; V218-Y250 WeakPolarHBondContact CG1-OH 3.47Å; V218-Y250 HydrophobicContact CG2-CD1 4.37Å; V218-Y250 HydrophobicContact CG2-CE1 3.84Å; V218-Q253 VanDerWaalsContact CG2-NE2 3.29Å |
| 219 | P | 93.1 | Very high | 90.8 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 176 | -26.3 | 37 | 0 | 0 | 0 | 112.7 | E215 V216 C221 K222 Q223 | E215-P219 WeakPolarHBondContact O-CD 3.4Å; E215-P219 WeakPolarHBondContact O-CG 3.18Å; V216-P219 WeakPolarHBondContact O-CD 3.07Å; P219-C221 PolarHBondContact O-N 2.93Å; P219-K222 PolarHBondContact O-N 3.21Å; P219-Q223 WeakPolarHBondContact O-CB 3.32Å; P219-Q223 PolarHBondContact O-N 3.38Å |
| 220 | L | 91.2 | Very high | 91 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 177.5 | -176.8 | 65.6 | 0 | 0 | 0 | 112 | L201 L204 V205 Y208 V216 V218 A224 | L201-L220 HydrophobicContact CD1-CD1 3.85Å; L201-L220 HydrophobicContact CD1-CD2 3.93Å; L201-L220 HydrophobicContact CD1-CG 3.7Å; L204-L220 HydrophobicContact CD2-CD2 3.9Å; L204-L220 HydrophobicContact CG-CD2 4.19Å; V205-L220 HydrophobicContact CG2-CD2 4Å; V205-L220 HydrophobicContact CG2-CG 4.41Å; Y208-L220 HydrophobicContact CD2-CD2 4.41Å; Y208-L220 HydrophobicContact CE2-CD2 4.39Å; V216-L220 VanDerWaalsContact O-CB 3.24Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 PolarHBondContact O-N 3.16Å; V218-L220 VanDerWaalsContact C-N 3.29Å; V218-L220 PolarHBondContact O-N 3.38Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 3.38Å; L220-A224 VanDerWaalsContact O-N 3.11Å |
| 221 | C | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.8 | -77.9 | 0 | 0 | 0 | 0 | 113 | V205 A217 V218 P219 A224 L225 M242 L246 | V205-C221 WeakPolarHBondContact CG1-SG 3.33Å; V205-C221 WeakPolarHBondContact CG2-SG 3.42Å; A217-C221 PolarHBondContact O-N 3.36Å; A217-C221 PolarHBondContact O-SG 3.08Å; A217-C221 VanDerWaalsContact O-SG 3.4Å; V218-C221 PolarHBondContact O-N 3.47Å; P219-C221 PolarHBondContact O-N 2.93Å; C221-A224 PolarHBondContact O-N 3.44Å; C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 WeakPolarHBondContact O-CG 3.29Å; C221-L225 PolarHBondContact O-N 3.34Å; C221-M242 HydrophobicContact CB-CE 4.5Å; C221-L246 HydrophobicContact CB-CB 4.19Å; C221-L246 HydrophobicContact CB-CD1 3.82Å; C221-L246 HydrophobicContact CB-CG 4.41Å |
| 222 | K | 92.7 | Very high | 90.7 | Very high | 100 Ų | 100 | 62 Ų | 62 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 179.4 | -74.5 | -174.4 | 173.6 | -167.6 | 0 | 111.6 | V218 P219 A224 L225 E226 L246 Y250 | V218-K222 HydrophobicContact CG1-CD 4.36Å; V218-K222 WeakPolarHBondContact O-CG 3.45Å; V218-K222 PolarHBondContact O-N 3.38Å; P219-K222 PolarHBondContact O-N 3.21Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.46Å; K222-L225 WeakPolarHBondContact O-CB 3.4Å; K222-L225 PolarHBondContact O-N 2.91Å; K222-L225 VanDerWaalsContact O-N 3.15Å; K222-E226 WeakPolarHBondContact O-CG 3.36Å; K222-E226 PolarHBondContact O-N 2.91Å; K222-L246 HydrophobicContact CG-CD2 4.37Å; K222-Y250 WeakPolarHBondContact CE-OH 3.33Å |
| 223 | Q | 91.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 176.1 | -175.8 | 60.5 | 48.9 | 0 | 0 | 111.1 | P219 L225 E226 D227 | P219-Q223 WeakPolarHBondContact O-CB 3.32Å; P219-Q223 PolarHBondContact O-N 3.38Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.17Å; Q223-E226 PolarHBondContact O-N 3.21Å; Q223-D227 PolarHBondContact NE2-OD1 3.34Å; Q223-D227 VanDerWaalsContact NE2-OD1 3.14Å; Q223-D227 PolarHBondContact NE2-OD2 3.39Å; Q223-D227 VanDerWaalsContact O-CG 3.26Å; Q223-D227 PolarHBondContact O-N 3.1Å |
| 224 | A | 91 | Very high | 90.7 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -32.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L201 L220 C221 K222 L228 M242 | L201-A224 HydrophobicContact CD2-CB 3.22Å; L201-A224 HydrophobicContact CG-CB 4.43Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 3.38Å; L220-A224 VanDerWaalsContact O-N 3.11Å; C221-A224 PolarHBondContact O-N 3.44Å; K222-A224 VanDerWaalsContact C-N 3.32Å; K222-A224 PolarHBondContact O-N 3.46Å; A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 VanDerWaalsContact O-CG 3.23Å; A224-L228 WeakPolarHBondContact O-CG 3.39Å; A224-L228 PolarHBondContact O-N 3.1Å; A224-M242 HydrophobicContact CB-CE 3.96Å |
| 225 | L | 91.7 | Very high | 90.6 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 171.7 | -82.4 | 165.9 | 0 | 0 | 0 | 111 | C221 K222 Q223 D227 L228 E229 V239 M242 L243 L246 | C221-L225 WeakPolarHBondContact O-CB 3.36Å; C221-L225 WeakPolarHBondContact O-CG 3.29Å; C221-L225 PolarHBondContact O-N 3.34Å; K222-L225 WeakPolarHBondContact O-CB 3.4Å; K222-L225 PolarHBondContact O-N 2.91Å; K222-L225 VanDerWaalsContact O-N 3.15Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.17Å; L225-D227 VanDerWaalsContact C-N 3.32Å; L225-D227 PolarHBondContact O-N 3.38Å; L225-L228 PolarHBondContact O-N 2.9Å; L225-E229 WeakPolarHBondContact O-CB 3.43Å; L225-E229 WeakPolarHBondContact O-CG 3.44Å; L225-E229 PolarHBondContact O-N 2.81Å; L225-V239 HydrophobicContact CD2-CG1 4.01Å; L225-M242 HydrophobicContact CD2-CB 3.43Å; L225-M242 VanDerWaalsContact CD2-CB 3.43Å; L225-M242 HydrophobicContact CG-CB 3.87Å; L225-L243 HydrophobicContact CD1-CD2 3.93Å; L225-L243 HydrophobicContact CD2-CD2 4.01Å; L225-L243 HydrophobicContact CD2-CG 3.85Å; L225-L246 HydrophobicContact CD1-CD2 3.78Å |
| 226 | E | 92.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 177.5 | -69 | 173.5 | -156.2 | 0 | 0 | 112.2 | K222 Q223 E229 K230 | K222-E226 WeakPolarHBondContact O-CG 3.36Å; K222-E226 PolarHBondContact O-N 2.91Å; Q223-E226 PolarHBondContact O-N 3.21Å; E226-E229 PolarHBondContact O-N 3.29Å; E226-K230 VanDerWaalsContact O-CG 3.28Å; E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 3Å |
| 227 | D | 90.9 | Very high | 90.5 | Very high | 71 Ų | 71 | 57.8 Ų | 57.8 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.4 | -37.4 | 178.3 | -64.7 | -24.2 | 0 | 0 | 0 | 111.9 | Q223 L225 T231 | Q223-D227 PolarHBondContact NE2-OD1 3.34Å; Q223-D227 VanDerWaalsContact NE2-OD1 3.14Å; Q223-D227 PolarHBondContact NE2-OD2 3.39Å; Q223-D227 VanDerWaalsContact O-CG 3.26Å; Q223-D227 PolarHBondContact O-N 3.1Å; L225-D227 VanDerWaalsContact C-N 3.32Å; L225-D227 PolarHBondContact O-N 3.38Å; D227-T231 WeakPolarHBondContact O-CB 3.3Å; D227-T231 WeakPolarHBondContact O-CG2 3.49Å; D227-T231 PolarHBondContact O-N 3.31Å; D227-T231 VanDerWaalsContact O-N 3.14Å; D227-T231 PolarHBondContact O-OG1 3.26Å |
| 228 | L | 89.6 | Confident | 90.4 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 173.8 | -75.6 | 172.4 | 0 | 0 | 0 | 112.4 | L198 A224 L225 K230 T231 S232 D238 V239 M242 | L198-L228 HydrophobicContact CD1-CD1 4.25Å; L198-L228 HydrophobicContact CD2-CD1 3.85Å; L198-L228 HydrophobicContact CD2-CD2 4.24Å; L198-L228 HydrophobicContact CD2-CG 4.45Å; A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 VanDerWaalsContact O-CG 3.23Å; A224-L228 WeakPolarHBondContact O-CG 3.39Å; A224-L228 PolarHBondContact O-N 3.1Å; L225-L228 PolarHBondContact O-N 2.9Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-T231 WeakPolarHBondContact CA-OG1 3.45Å; L228-T231 PolarHBondContact O-N 3.46Å; L228-T231 PolarHBondContact O-OG1 3.25Å; L228-S232 WeakPolarHBondContact O-CB 3.45Å; L228-S232 PolarHBondContact O-N 3.08Å; L228-D238 HydrophobicContact CD1-CB 4.32Å; L228-D238 HydrophobicContact CD2-CB 4.22Å; L228-V239 HydrophobicContact CB-CG2 3.96Å; L228-M242 HydrophobicContact CD1-CB 4.12Å; L228-M242 HydrophobicContact CD1-CG 3.36Å |
| 229 | E | 92 | Very high | 90.3 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 177.2 | -75.1 | -178.2 | 174.5 | 0 | 0 | 111.5 | L225 E226 G233 H234 V239 | L225-E229 WeakPolarHBondContact O-CB 3.43Å; L225-E229 WeakPolarHBondContact O-CG 3.44Å; L225-E229 PolarHBondContact O-N 2.81Å; E226-E229 PolarHBondContact O-N 3.29Å; E229-G233 VanDerWaalsContact O-CA 3.24Å; E229-G233 WeakPolarHBondContact O-CA 3.5Å; E229-G233 PolarHBondContact O-N 3.42Å; E229-H234 HydrophobicContact CG-CB 4.37Å; E229-H234 IonicContact OE1-CE1 2.73Å; E229-H234 IonicContact OE1-CG 2.75Å; E229-H234 IonicContact OE1-ND1 3.64Å; E229-H234 PolarHBondContact OE1-ND1 3.19Å; E229-V239 HydrophobicContact CG-CG1 4.26Å; E229-V239 HydrophobicContact CG-CG2 4.17Å |
| 230 | K | 90.9 | Very high | 90.2 | Very high | 159 Ų | 159 | 53.8 Ų | 53.8 | 69% | 0.691 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.3 | -37.8 | 175.2 | -74.7 | 170.3 | -171.9 | 163.4 | 0 | 113.3 | E226 L228 | E226-K230 VanDerWaalsContact O-CG 3.28Å; E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 3Å; L228-K230 VanDerWaalsContact C-N 3.34Å |
| 231 | T | 88.6 | Confident | 90.1 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 69% | 0.687 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -87.7 | -41.1 | -173.9 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | D227 L228 | D227-T231 WeakPolarHBondContact O-CB 3.3Å; D227-T231 WeakPolarHBondContact O-CG2 3.49Å; D227-T231 PolarHBondContact O-N 3.31Å; D227-T231 VanDerWaalsContact O-N 3.14Å; D227-T231 PolarHBondContact O-OG1 3.26Å; L228-T231 WeakPolarHBondContact CA-OG1 3.45Å; L228-T231 PolarHBondContact O-N 3.46Å; L228-T231 PolarHBondContact O-OG1 3.25Å |
| 232 | S | 85.3 | Confident | 90.1 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -116.5 | -11.1 | -168.6 | -49.7 | 0 | 0 | 0 | 0 | 113.5 | L228 | L228-S232 WeakPolarHBondContact O-CB 3.45Å; L228-S232 PolarHBondContact O-N 3.08Å |
| 233 | G | 89.4 | Confident | 90.1 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 32% | 0.32 | 26% | 0.255 | S | S | . | . | trans | 81.4 | 159.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E229 H236 V239 | E229-G233 VanDerWaalsContact O-CA 3.24Å; E229-G233 WeakPolarHBondContact O-CA 3.5Å; E229-G233 PolarHBondContact O-N 3.42Å; G233-H236 WeakPolarHBondContact O-CB 3.38Å; G233-H236 PolarHBondContact O-N 2.92Å; G233-V239 WeakPolarHBondContact O-CG2 3.5Å | ||
| 234 | H | 89.8 | Confident | 90.1 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 33% | 0.333 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -35.1 | -174.5 | -179 | 78.6 | 0 | 0 | 0 | 113.6 | E229 H236 D265 I269 | E229-H234 HydrophobicContact CG-CB 4.37Å; E229-H234 IonicContact OE1-CE1 2.73Å; E229-H234 IonicContact OE1-CG 2.75Å; E229-H234 IonicContact OE1-ND1 3.64Å; E229-H234 PolarHBondContact OE1-ND1 3.19Å; H234-H236 PolarHBondContact O-N 3.13Å; H234-D265 IonicContact CE1-OD1 2.8Å; H234-D265 IonicContact CE1-OD2 3.13Å; H234-D265 PolarHBondContact CE1-OD2 2.96Å; H234-D265 IonicContact NE2-OD1 3.12Å; H234-D265 PolarHBondContact NE2-OD1 3.05Å; H234-D265 IonicContact NE2-OD2 2.67Å; H234-I269 VanDerWaalsContact O-CD1 3.31Å; H234-I269 WeakPolarHBondContact O-CD1 3.35Å |
| 235 | D | 90.2 | Very high | 90 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 19.8 | 179.5 | -79.5 | -40.1 | 0 | 0 | 0 | 113.3 | K272 T273 | D235-K272 IonicContact OD1-NZ 2.62Å; D235-K272 PolarHBondContact OD1-NZ 3.25Å; D235-K272 IonicContact OD2-NZ 3.79Å; D235-K272 PolarHBondContact OD2-NZ 2.94Å; D235-K272 VanDerWaalsContact OD2-NZ 3.11Å; D235-T273 WeakPolarHBondContact O-CG2 3.39Å |
| 236 | H | 88.4 | Confident | 90.1 | Very high | 53 Ų | 53 | 42.9 Ų | 42.9 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -89.5 | 142.2 | -179.5 | -169.9 | -78.5 | 0 | 0 | 0 | 112.7 | R197 G233 H234 D238 V239 A240 | R197-H236 PolarHBondContact NH2-CE1 3.3Å; G233-H236 WeakPolarHBondContact O-CB 3.38Å; G233-H236 PolarHBondContact O-N 2.92Å; H234-H236 PolarHBondContact O-N 3.13Å; H236-D238 IonicContact CE1-OD1 2.84Å; H236-D238 PolarHBondContact CE1-OD1 2.91Å; H236-D238 VanDerWaalsContact ND1-CB 3.31Å; H236-D238 WeakPolarHBondContact ND1-CB 3.41Å; H236-D238 PolarHBondContact ND1-N 3.1Å; H236-D238 IonicContact ND1-OD1 3.58Å; H236-D238 PolarHBondContact ND1-OD1 3.26Å; H236-D238 PolarHBondContact O-N 3.39Å; H236-D238 VanDerWaalsContact O-N 3.15Å; H236-V239 HydrophobicContact CB-CG2 4.34Å; H236-V239 WeakPolarHBondContact O-CB 3.33Å; H236-V239 PolarHBondContact O-N 3.02Å; H236-A240 PolarHBondContact O-N 2.98Å |
| 237 | P | 87.4 | Confident | 90.1 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.2 | -30.4 | -178.9 | 21.7 | -35.1 | 0 | 0 | 0 | 114.7 | A240 T241 | P237-A240 WeakPolarHBondContact O-CB 3.36Å; P237-A240 PolarHBondContact O-N 3.43Å; P237-T241 PolarHBondContact O-N 2.84Å; P237-T241 PolarHBondContact O-OG1 3.1Å |
| 238 | D | 88 | Confident | 90 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 172.6 | -77.1 | 45.5 | 0 | 0 | 0 | 113.5 | P195 R197 L198 L228 H236 A240 T241 M242 | P195-D238 WeakPolarHBondContact CG-OD1 3.37Å; R197-D238 VanDerWaalsContact CZ-CG 3.47Å; R197-D238 IonicContact CZ-OD1 3.34Å; R197-D238 IonicContact CZ-OD2 2.78Å; R197-D238 IonicContact NE-OD2 2.78Å; R197-D238 PolarHBondContact NE-OD2 3.1Å; R197-D238 IonicContact NH1-OD2 3.53Å; R197-D238 IonicContact NH2-OD1 3.91Å; R197-D238 PolarHBondContact NH2-OD1 3.09Å; R197-D238 IonicContact NH2-OD2 2.84Å; R197-D238 PolarHBondContact NH2-OD2 3.43Å; L198-D238 HydrophobicContact CD1-CB 3.75Å; L198-D238 WeakPolarHBondContact CD1-OD2 3.29Å; L228-D238 HydrophobicContact CD1-CB 4.32Å; L228-D238 HydrophobicContact CD2-CB 4.22Å; H236-D238 IonicContact CE1-OD1 2.84Å; H236-D238 PolarHBondContact CE1-OD1 2.91Å; H236-D238 VanDerWaalsContact ND1-CB 3.31Å; H236-D238 WeakPolarHBondContact ND1-CB 3.41Å; H236-D238 PolarHBondContact ND1-N 3.1Å; H236-D238 IonicContact ND1-OD1 3.58Å; H236-D238 PolarHBondContact ND1-OD1 3.26Å; H236-D238 PolarHBondContact O-N 3.39Å; H236-D238 VanDerWaalsContact O-N 3.15Å; D238-A240 VanDerWaalsContact C-N 3.34Å; D238-T241 WeakPolarHBondContact O-CB 3.23Å; D238-T241 PolarHBondContact O-N 2.98Å; D238-M242 PolarHBondContact O-N 3.14Å |
| 239 | V | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | L225 L228 E229 G233 H236 T241 M242 L243 I269 | L225-V239 HydrophobicContact CD2-CG1 4.01Å; L228-V239 HydrophobicContact CB-CG2 3.96Å; E229-V239 HydrophobicContact CG-CG1 4.26Å; E229-V239 HydrophobicContact CG-CG2 4.17Å; G233-V239 WeakPolarHBondContact O-CG2 3.5Å; H236-V239 HydrophobicContact CB-CG2 4.34Å; H236-V239 WeakPolarHBondContact O-CB 3.33Å; H236-V239 PolarHBondContact O-N 3.02Å; V239-T241 VanDerWaalsContact C-N 3.25Å; V239-T241 PolarHBondContact O-N 3.32Å; V239-M242 PolarHBondContact O-N 3.03Å; V239-M242 VanDerWaalsContact O-N 3.17Å; V239-L243 HydrophobicContact CG1-CD1 3.97Å; V239-L243 HydrophobicContact CG1-CG 4.25Å; V239-L243 WeakPolarHBondContact O-CB 3.36Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.46Å; V239-L243 PolarHBondContact O-N 3.41Å; V239-I269 HydrophobicContact CG1-CD1 4.13Å |
| 240 | A | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H236 P237 D238 N244 A266 I269 R270 | H236-A240 PolarHBondContact O-N 2.98Å; P237-A240 WeakPolarHBondContact O-CB 3.36Å; P237-A240 PolarHBondContact O-N 3.43Å; D238-A240 VanDerWaalsContact C-N 3.34Å; A240-N244 WeakPolarHBondContact O-CB 3.34Å; A240-N244 PolarHBondContact O-N 2.98Å; A240-A266 HydrophobicContact CB-CB 4.17Å; A240-I269 HydrophobicContact CB-CB 4.03Å; A240-I269 HydrophobicContact CB-CG2 3.86Å; A240-R270 HydrophobicContact CB-CG 3.78Å |
| 241 | T | 89.3 | Confident | 90.1 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -45.6 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | I194 P237 D238 V239 N244 I245 | I194-T241 HydrophobicContact CG1-CG2 4.46Å; I194-T241 HydrophobicContact CG2-CG2 4.34Å; P237-T241 PolarHBondContact O-N 2.84Å; P237-T241 PolarHBondContact O-OG1 3.1Å; D238-T241 WeakPolarHBondContact O-CB 3.23Å; D238-T241 PolarHBondContact O-N 2.98Å; V239-T241 VanDerWaalsContact C-N 3.25Å; V239-T241 PolarHBondContact O-N 3.32Å; T241-N244 PolarHBondContact O-N 3.36Å; T241-I245 HydrophobicContact CG2-CD1 4.18Å; T241-I245 VanDerWaalsContact O-CG1 3.28Å; T241-I245 WeakPolarHBondContact O-CG1 3.27Å; T241-I245 PolarHBondContact O-N 2.94Å |
| 242 | M | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 176.3 | -75.3 | -53.7 | -59.4 | 0 | 0 | 113.3 | L198 L201 C221 A224 L225 L228 D238 V239 N244 I245 L246 | L198-M242 HydrophobicContact CD1-CG 3.94Å; L198-M242 HydrophobicContact CD1-SD 4.28Å; L198-M242 HydrophobicContact CD2-CG 4.13Å; L198-M242 HydrophobicContact CD2-SD 4.09Å; L201-M242 HydrophobicContact CD2-CE 3.62Å; L201-M242 HydrophobicContact CD2-SD 3.92Å; L201-M242 HydrophobicContact CG-CE 4.41Å; C221-M242 HydrophobicContact CB-CE 4.5Å; A224-M242 HydrophobicContact CB-CE 3.96Å; L225-M242 HydrophobicContact CD2-CB 3.43Å; L225-M242 VanDerWaalsContact CD2-CB 3.43Å; L225-M242 HydrophobicContact CG-CB 3.87Å; L228-M242 HydrophobicContact CD1-CB 4.12Å; L228-M242 HydrophobicContact CD1-CG 3.36Å; D238-M242 PolarHBondContact O-N 3.14Å; V239-M242 PolarHBondContact O-N 3.03Å; V239-M242 VanDerWaalsContact O-N 3.17Å; M242-N244 VanDerWaalsContact C-N 3.32Å; M242-N244 PolarHBondContact O-N 2.79Å; M242-I245 WeakPolarHBondContact O-CB 3.13Å; M242-I245 PolarHBondContact O-N 3.16Å; M242-I245 HydrophobicContact SD-CD1 3.7Å; M242-L246 PolarHBondContact O-N 3.02Å |
| 243 | L | 93.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 173.1 | -74 | 171.7 | 0 | 0 | 0 | 111.1 | L225 V239 I245 L246 A247 L262 D265 A266 I269 | L225-L243 HydrophobicContact CD1-CD2 3.93Å; L225-L243 HydrophobicContact CD2-CD2 4.01Å; L225-L243 HydrophobicContact CD2-CG 3.85Å; V239-L243 HydrophobicContact CG1-CD1 3.97Å; V239-L243 HydrophobicContact CG1-CG 4.25Å; V239-L243 WeakPolarHBondContact O-CB 3.36Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.46Å; V239-L243 PolarHBondContact O-N 3.41Å; L243-I245 PolarHBondContact O-N 3.04Å; L243-L246 PolarHBondContact O-N 2.93Å; L243-A247 WeakPolarHBondContact O-CB 3.35Å; L243-A247 PolarHBondContact O-N 3.1Å; L243-L262 HydrophobicContact CD2-CD2 3.64Å; L243-D265 HydrophobicContact CD1-CB 4.2Å; L243-D265 WeakPolarHBondContact CD1-OD2 3.27Å; L243-A266 HydrophobicContact CB-CB 3.95Å; L243-A266 HydrophobicContact CD1-CB 4.38Å; L243-I269 HydrophobicContact CD1-CD1 3.71Å |
| 244 | N | 91.1 | Very high | 90.4 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | 175.3 | -179.7 | 83.8 | 0 | 0 | 0 | 112 | A240 T241 M242 A247 L248 L263 N287 | A240-N244 WeakPolarHBondContact O-CB 3.34Å; A240-N244 PolarHBondContact O-N 2.98Å; T241-N244 PolarHBondContact O-N 3.36Å; M242-N244 VanDerWaalsContact C-N 3.32Å; M242-N244 PolarHBondContact O-N 2.79Å; N244-A247 PolarHBondContact O-N 3.02Å; N244-L248 WeakPolarHBondContact O-CG 3.25Å; N244-L248 PolarHBondContact O-N 3.02Å; N244-L248 VanDerWaalsContact O-N 3.12Å; N244-L263 HydrophobicContact CB-CD2 4.06Å; N244-L263 WeakPolarHBondContact OD1-CD2 3.45Å; N244-N287 PolarHBondContact OD1-ND2 2.74Å; N244-N287 VanDerWaalsContact OD1-ND2 3.08Å |
| 245 | I | 89.9 | Confident | 90.6 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -49.6 | 175.5 | -66.4 | 161.6 | 0 | 0 | 0 | 110.6 | H202 V205 T241 M242 L243 A247 L248 V249 | H202-I245 HydrophobicContact CB-CD1 4.01Å; H202-I245 WeakPolarHBondContact ND1-CD1 3.37Å; H202-I245 VanDerWaalsContact ND1-CG1 3.28Å; H202-I245 WeakPolarHBondContact ND1-CG1 3.33Å; V205-I245 HydrophobicContact CB-CG2 4.29Å; V205-I245 HydrophobicContact CG1-CG2 3.64Å; T241-I245 HydrophobicContact CG2-CD1 4.18Å; T241-I245 VanDerWaalsContact O-CG1 3.28Å; T241-I245 WeakPolarHBondContact O-CG1 3.27Å; T241-I245 PolarHBondContact O-N 2.94Å; M242-I245 WeakPolarHBondContact O-CB 3.13Å; M242-I245 PolarHBondContact O-N 3.16Å; M242-I245 HydrophobicContact SD-CD1 3.7Å; L243-I245 PolarHBondContact O-N 3.04Å; I245-A247 VanDerWaalsContact C-N 3.27Å; I245-A247 PolarHBondContact O-N 3.41Å; I245-L248 WeakPolarHBondContact O-CB 3.39Å; I245-L248 PolarHBondContact O-N 3.31Å; I245-L248 VanDerWaalsContact O-N 3.12Å; I245-V249 WeakPolarHBondContact O-CG2 3.47Å; I245-V249 PolarHBondContact O-N 2.99Å; I245-V249 VanDerWaalsContact O-N 3.14Å |
| 246 | L | 92.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 177.9 | -180 | 59 | 0 | 0 | 0 | 111.7 | V218 C221 K222 L225 M242 L243 L248 V249 Y250 L262 | V218-L246 HydrophobicContact CG1-CD1 4.26Å; V218-L246 HydrophobicContact CG2-CD1 4.36Å; C221-L246 HydrophobicContact CB-CB 4.19Å; C221-L246 HydrophobicContact CB-CD1 3.82Å; C221-L246 HydrophobicContact CB-CG 4.41Å; K222-L246 HydrophobicContact CG-CD2 4.37Å; L225-L246 HydrophobicContact CD1-CD2 3.78Å; M242-L246 PolarHBondContact O-N 3.02Å; L243-L246 PolarHBondContact O-N 2.93Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 2.99Å; L246-V249 WeakPolarHBondContact O-CB 3.48Å; L246-V249 PolarHBondContact O-N 3.05Å; L246-Y250 HydrophobicContact CD1-CD2 4.39Å; L246-Y250 HydrophobicContact CD1-CE1 4.41Å; L246-Y250 HydrophobicContact CD1-CE2 4Å; L246-Y250 HydrophobicContact CD2-CE2 4.17Å; L246-Y250 HydrophobicContact CG-CD2 4.19Å; L246-Y250 HydrophobicContact CG-CE2 3.9Å; L246-Y250 PolarHBondContact O-N 3.41Å; L246-L262 HydrophobicContact CB-CD1 4.02Å; L246-L262 HydrophobicContact CD2-CD1 3.69Å; L246-L262 HydrophobicContact CD2-CD2 4.36Å; L246-L262 HydrophobicContact CG-CD1 3.55Å |
| 247 | A | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L243 N244 I245 Y250 R251 A259 L262 L263 | L243-A247 WeakPolarHBondContact O-CB 3.35Å; L243-A247 PolarHBondContact O-N 3.1Å; N244-A247 PolarHBondContact O-N 3.02Å; I245-A247 VanDerWaalsContact C-N 3.27Å; I245-A247 PolarHBondContact O-N 3.41Å; A247-Y250 PolarHBondContact O-N 3.49Å; A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 PolarHBondContact O-N 3.45Å; A247-A259 HydrophobicContact CB-CB 4.32Å; A247-A259 WeakPolarHBondContact O-CB 3.44Å; A247-L262 HydrophobicContact CB-CB 4.04Å; A247-L262 HydrophobicContact CB-CD1 4.34Å; A247-L263 HydrophobicContact CB-CD1 4.46Å; A247-L263 HydrophobicContact CB-CD2 3.63Å; A247-L263 HydrophobicContact CB-CG 3.63Å |
| 248 | L | 89.6 | Confident | 90.8 | Very high | 50 Ų | 50 | 38.5 Ų | 38.5 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 173.7 | -66 | 173.5 | 0 | 0 | 0 | 111.3 | N244 I245 L246 Y250 R251 D252 | N244-L248 WeakPolarHBondContact O-CG 3.25Å; N244-L248 PolarHBondContact O-N 3.02Å; N244-L248 VanDerWaalsContact O-N 3.12Å; I245-L248 WeakPolarHBondContact O-CB 3.39Å; I245-L248 PolarHBondContact O-N 3.31Å; I245-L248 VanDerWaalsContact O-N 3.12Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 2.99Å; L248-Y250 VanDerWaalsContact C-N 3.33Å; L248-Y250 PolarHBondContact O-N 3.03Å; L248-R251 WeakPolarHBondContact O-CB 3.2Å; L248-R251 PolarHBondContact O-N 3.07Å; L248-D252 VanDerWaalsContact O-CG 3.29Å; L248-D252 PolarHBondContact O-N 3.5Å |
| 249 | V | 91.3 | Very high | 91 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | V205 A209 Y214 A217 V218 I245 L246 D252 Q253 | V205-V249 HydrophobicContact CG1-CG2 3.71Å; A209-V249 HydrophobicContact CB-CG2 4.19Å; Y214-V249 HydrophobicContact CD1-CG1 3.81Å; Y214-V249 HydrophobicContact CE1-CG1 4.31Å; A217-V249 HydrophobicContact CB-CG1 4.3Å; V218-V249 HydrophobicContact CG2-CG1 3.77Å; I245-V249 WeakPolarHBondContact O-CG2 3.47Å; I245-V249 PolarHBondContact O-N 2.99Å; I245-V249 VanDerWaalsContact O-N 3.14Å; L246-V249 WeakPolarHBondContact O-CB 3.48Å; L246-V249 PolarHBondContact O-N 3.05Å; V249-D252 PolarHBondContact O-N 3.02Å; V249-Q253 PolarHBondContact O-N 2.93Å |
| 250 | Y | 93.1 | Very high | 91.1 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.082 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.7 | -33 | 174.7 | -75.8 | -29.6 | 0 | 0 | 0 | 113.9 | V218 K222 L246 A247 L248 D252 Q253 N254 K255 E258 L262 | V218-Y250 HydrophobicContact CG1-CE1 3.96Å; V218-Y250 WeakPolarHBondContact CG1-OH 3.47Å; V218-Y250 HydrophobicContact CG2-CD1 4.37Å; V218-Y250 HydrophobicContact CG2-CE1 3.84Å; K222-Y250 WeakPolarHBondContact CE-OH 3.33Å; L246-Y250 HydrophobicContact CD1-CD2 4.39Å; L246-Y250 HydrophobicContact CD1-CE1 4.41Å; L246-Y250 HydrophobicContact CD1-CE2 4Å; L246-Y250 HydrophobicContact CD2-CE2 4.17Å; L246-Y250 HydrophobicContact CG-CD2 4.19Å; L246-Y250 HydrophobicContact CG-CE2 3.9Å; L246-Y250 PolarHBondContact O-N 3.41Å; A247-Y250 PolarHBondContact O-N 3.49Å; L248-Y250 VanDerWaalsContact C-N 3.33Å; L248-Y250 PolarHBondContact O-N 3.03Å; Y250-D252 VanDerWaalsContact C-N 3.3Å; Y250-D252 PolarHBondContact O-N 3.37Å; Y250-Q253 CarbonylContact O-C 3.59Å; Y250-Q253 PolarHBondContact O-N 3.33Å; Y250-N254 PolarHBondContact O-N 2.86Å; Y250-K255 HydrophobicContact CD1-CD 4.26Å; Y250-K255 PolarHBondContact O-N 3.35Å; Y250-E258 HydrophobicContact CD2-CB 3.91Å; Y250-E258 HydrophobicContact CE2-CB 4.23Å; Y250-E258 HydrophobicContact CG-CB 4.44Å; Y250-L262 HydrophobicContact CD2-CD1 3.53Å; Y250-L262 HydrophobicContact CE2-CD1 3.69Å |
| 251 | R | 90.1 | Very high | 91.2 | Very high | 83 Ų | 83 | 44.6 Ų | 44.6 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59 | -45 | 171.1 | -178.9 | -163.4 | 70.1 | -169.8 | -3.6 | 110.7 | A247 L248 Q253 N254 Y256 L291 | A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 PolarHBondContact O-N 3.45Å; L248-R251 WeakPolarHBondContact O-CB 3.2Å; L248-R251 PolarHBondContact O-N 3.07Å; R251-Q253 VanDerWaalsContact C-N 3.26Å; R251-Q253 PolarHBondContact O-N 2.93Å; R251-N254 WeakPolarHBondContact O-CA 3.2Å; R251-N254 PolarHBondContact O-N 3.14Å; R251-Y256 HydrophobicContact CG-CE1 4.09Å; R251-L291 HydrophobicContact CB-CD2 3.87Å; R251-L291 HydrophobicContact CG-CD2 3.62Å |
| 252 | D | 89.7 | Confident | 91.4 | Very high | 69 Ų | 69 | 45 Ų | 45 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.1 | -26.4 | -177.5 | -62.3 | -8.8 | 0 | 0 | 0 | 111.6 | Y214 L248 V249 Y250 N254 | Y214-D252 HydrophobicContact CE1-CB 4.19Å; Y214-D252 WeakPolarHBondContact OH-CB 3.46Å; L248-D252 VanDerWaalsContact O-CG 3.29Å; L248-D252 PolarHBondContact O-N 3.5Å; V249-D252 PolarHBondContact O-N 3.02Å; Y250-D252 VanDerWaalsContact C-N 3.3Å; Y250-D252 PolarHBondContact O-N 3.37Å; D252-N254 PolarHBondContact O-N 3.33Å |
| 253 | Q | 90.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 0.6 | 166.8 | -69.8 | 173.6 | 49.7 | 0 | 0 | 114.6 | Y214 V218 V249 Y250 R251 K255 | Y214-Q253 HydrophobicContact CD1-CG 3.73Å; Y214-Q253 HydrophobicContact CD2-CG 3.75Å; Y214-Q253 HydrophobicContact CE1-CG 4.02Å; Y214-Q253 HydrophobicContact CE2-CG 4.05Å; Y214-Q253 HydrophobicContact CG-CG 3.58Å; V218-Q253 VanDerWaalsContact CG2-NE2 3.29Å; V249-Q253 PolarHBondContact O-N 2.93Å; Y250-Q253 CarbonylContact O-C 3.59Å; Y250-Q253 PolarHBondContact O-N 3.33Å; R251-Q253 VanDerWaalsContact C-N 3.26Å; R251-Q253 PolarHBondContact O-N 2.93Å; Q253-K255 HydrophobicContact CB-CD 4.43Å; Q253-K255 HydrophobicContact CB-CG 4.08Å; Q253-K255 PolarHBondContact O-N 3.45Å; Q253-K255 VanDerWaalsContact OE1-CE 3.28Å |
| 254 | N | 90.3 | Very high | 91.7 | Very high | 106 Ų | 106 | 48 Ų | 48 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.1 | -171.9 | -58.5 | -76.3 | 0 | 0 | 0 | 115.1 | Y250 R251 D252 Y256 | Y250-N254 PolarHBondContact O-N 2.86Å; R251-N254 WeakPolarHBondContact O-CA 3.2Å; R251-N254 PolarHBondContact O-N 3.14Å; D252-N254 PolarHBondContact O-N 3.33Å; N254-Y256 HydrophobicContact CB-CD2 4.41Å; N254-Y256 HydrophobicContact CB-CE2 3.72Å; N254-Y256 WeakPolarHBondContact O-CD2 3.39Å; N254-Y256 PolarHBondContact O-N 3Å; N254-Y256 PolarHBondContact OD1-OH 3.35Å |
| 255 | K | 92.1 | Very high | 91.8 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | trans | -86.7 | 63.4 | 175.3 | -60 | -173.1 | -170.9 | 161.3 | 0 | 111 | Y250 Q253 K257 E258 A259 | Y250-K255 HydrophobicContact CD1-CD 4.26Å; Y250-K255 PolarHBondContact O-N 3.35Å; Q253-K255 HydrophobicContact CB-CD 4.43Å; Q253-K255 HydrophobicContact CB-CG 4.08Å; Q253-K255 PolarHBondContact O-N 3.45Å; Q253-K255 VanDerWaalsContact OE1-CE 3.28Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.44Å; K255-E258 VanDerWaalsContact CB-OE2 3.25Å; K255-E258 WeakPolarHBondContact CB-OE2 3.44Å; K255-E258 WeakPolarHBondContact CD-OE2 3.31Å; K255-E258 PolarHBondContact O-N 3.23Å; K255-A259 PolarHBondContact O-N 2.91Å; K255-A259 VanDerWaalsContact O-N 3.12Å | ||
| 256 | Y | 90.3 | Very high | 92 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -23.7 | -171.3 | -59.5 | -76.8 | 0 | 0 | 0 | 114.9 | R251 N254 A260 L291 K294 R295 | R251-Y256 HydrophobicContact CG-CE1 4.09Å; N254-Y256 HydrophobicContact CB-CD2 4.41Å; N254-Y256 HydrophobicContact CB-CE2 3.72Å; N254-Y256 WeakPolarHBondContact O-CD2 3.39Å; N254-Y256 PolarHBondContact O-N 3Å; N254-Y256 PolarHBondContact OD1-OH 3.35Å; Y256-A260 WeakPolarHBondContact O-CB 3.33Å; Y256-A260 PolarHBondContact O-N 3.4Å; Y256-A260 VanDerWaalsContact O-N 3.14Å; Y256-L291 HydrophobicContact CD1-CD2 3.82Å; Y256-L291 HydrophobicContact CE1-CD2 4.42Å; Y256-K294 HydrophobicContact CD1-CB 4.2Å; Y256-K294 HydrophobicContact CE1-CB 3.75Å; Y256-K294 HydrophobicContact CE1-CG 4.21Å; Y256-R295 HydrophobicContact CD2-CG 4.47Å; Y256-R295 HydrophobicContact CG-CG 4.06Å |
| 257 | K | 89.5 | Confident | 92.1 | Very high | 153 Ų | 153 | 50 Ų | 50 | 67% | 0.665 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70.5 | -49.1 | 177.8 | -69.1 | -176.8 | -177.4 | 179.5 | 0 | 111.2 | K255 A260 H261 | K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.44Å; K257-A260 PolarHBondContact O-N 3.13Å; K257-H261 PolarHBondContact O-N 3.02Å; K257-H261 VanDerWaalsContact O-N 3.09Å |
| 258 | E | 91.1 | Very high | 92.2 | Very high | 91 Ų | 91 | 52 Ų | 52 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 178.9 | -65.8 | 149.8 | -155.3 | 0 | 0 | 110.5 | Y250 K255 A260 H261 L262 | Y250-E258 HydrophobicContact CD2-CB 3.91Å; Y250-E258 HydrophobicContact CE2-CB 4.23Å; Y250-E258 HydrophobicContact CG-CB 4.44Å; K255-E258 VanDerWaalsContact CB-OE2 3.25Å; K255-E258 WeakPolarHBondContact CB-OE2 3.44Å; K255-E258 WeakPolarHBondContact CD-OE2 3.31Å; K255-E258 PolarHBondContact O-N 3.23Å; E258-A260 VanDerWaalsContact C-N 3.3Å; E258-A260 PolarHBondContact O-N 3.16Å; E258-H261 WeakPolarHBondContact O-CB 3.25Å; E258-H261 PolarHBondContact O-N 3.42Å; E258-H261 VanDerWaalsContact O-N 3.15Å; E258-L262 WeakPolarHBondContact O-CG 3.31Å; E258-L262 PolarHBondContact O-N 2.86Å |
| 259 | A | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A247 K255 L263 L291 | A247-A259 HydrophobicContact CB-CB 4.32Å; A247-A259 WeakPolarHBondContact O-CB 3.44Å; K255-A259 PolarHBondContact O-N 2.91Å; K255-A259 VanDerWaalsContact O-N 3.12Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.09Å; A259-L291 HydrophobicContact CB-CD1 3.73Å; A259-L291 HydrophobicContact CB-CD2 4.15Å |
| 260 | A | 91.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y256 K257 E258 N264 L288 L291 Y292 | Y256-A260 WeakPolarHBondContact O-CB 3.33Å; Y256-A260 PolarHBondContact O-N 3.4Å; Y256-A260 VanDerWaalsContact O-N 3.14Å; K257-A260 PolarHBondContact O-N 3.13Å; E258-A260 VanDerWaalsContact C-N 3.3Å; E258-A260 PolarHBondContact O-N 3.16Å; A260-N264 PolarHBondContact O-N 2.77Å; A260-N264 PolarHBondContact O-ND2 3.38Å; A260-L288 HydrophobicContact CB-CD2 4.5Å; A260-L291 HydrophobicContact CB-CD1 4.42Å; A260-Y292 HydrophobicContact CB-CE1 4Å |
| 261 | H | 93.4 | Very high | 92.4 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 62% | 0.616 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.2 | -50.4 | 174.6 | -173.5 | -76.5 | 0 | 0 | 0 | 110.9 | K257 E258 L263 N264 D265 | K257-H261 PolarHBondContact O-N 3.02Å; K257-H261 VanDerWaalsContact O-N 3.09Å; E258-H261 WeakPolarHBondContact O-CB 3.25Å; E258-H261 PolarHBondContact O-N 3.42Å; E258-H261 VanDerWaalsContact O-N 3.15Å; H261-L263 VanDerWaalsContact C-N 3.32Å; H261-L263 PolarHBondContact O-N 2.91Å; H261-N264 PolarHBondContact O-N 2.96Å; H261-D265 PolarHBondContact O-N 2.97Å |
| 262 | L | 94.7 | Very high | 92.6 | Very high | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 179.2 | -64.8 | 175.9 | 0 | 0 | 0 | 113.1 | L243 L246 A247 Y250 E258 D265 A266 | L243-L262 HydrophobicContact CD2-CD2 3.64Å; L246-L262 HydrophobicContact CB-CD1 4.02Å; L246-L262 HydrophobicContact CD2-CD1 3.69Å; L246-L262 HydrophobicContact CD2-CD2 4.36Å; L246-L262 HydrophobicContact CG-CD1 3.55Å; A247-L262 HydrophobicContact CB-CB 4.04Å; A247-L262 HydrophobicContact CB-CD1 4.34Å; Y250-L262 HydrophobicContact CD2-CD1 3.53Å; Y250-L262 HydrophobicContact CE2-CD1 3.69Å; E258-L262 WeakPolarHBondContact O-CG 3.31Å; E258-L262 PolarHBondContact O-N 2.86Å; L262-D265 PolarHBondContact O-N 3.38Å; L262-A266 WeakPolarHBondContact O-CB 3.4Å; L262-A266 PolarHBondContact O-N 3.01Å |
| 263 | L | 94.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.7 | -30.5 | 177 | -72 | -172 | 0 | 0 | 0 | 113.5 | N244 A247 A259 H261 D265 L267 T284 N287 L288 L291 | N244-L263 HydrophobicContact CB-CD2 4.06Å; N244-L263 WeakPolarHBondContact OD1-CD2 3.45Å; A247-L263 HydrophobicContact CB-CD1 4.46Å; A247-L263 HydrophobicContact CB-CD2 3.63Å; A247-L263 HydrophobicContact CB-CG 3.63Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.09Å; H261-L263 VanDerWaalsContact C-N 3.32Å; H261-L263 PolarHBondContact O-N 2.91Å; L263-D265 VanDerWaalsContact C-N 3.31Å; L263-L267 VanDerWaalsContact O-CB 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 PolarHBondContact O-N 3.49Å; L263-T284 HydrophobicContact CB-CG2 4.36Å; L263-T284 HydrophobicContact CD2-CG2 4.38Å; L263-T284 WeakPolarHBondContact O-CG2 3.34Å; L263-N287 HydrophobicContact CD1-CB 3.58Å; L263-L288 HydrophobicContact CB-CD1 4.25Å; L263-L288 HydrophobicContact CB-CD2 3.42Å; L263-L288 VanDerWaalsContact CB-CD2 3.42Å; L263-L288 HydrophobicContact CB-CG 3.61Å; L263-L288 HydrophobicContact CD1-CD2 4.16Å; L263-L288 HydrophobicContact CD1-CG 4.04Å; L263-L288 HydrophobicContact CG-CD2 4.42Å; L263-L291 HydrophobicContact CD1-CD1 3.49Å; L263-L291 VanDerWaalsContact CD1-CD1 3.49Å; L263-L291 HydrophobicContact CD1-CG 4.34Å; L263-L291 HydrophobicContact CG-CD1 4.26Å |
| 264 | N | 94.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 35% | 0.353 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 172 | -82.3 | -60.1 | 0 | 0 | 0 | 110.8 | A260 H261 L267 A268 | A260-N264 PolarHBondContact O-N 2.77Å; A260-N264 PolarHBondContact O-ND2 3.38Å; H261-N264 PolarHBondContact O-N 2.96Å; N264-L267 WeakPolarHBondContact O-CB 3.32Å; N264-L267 PolarHBondContact O-N 3.22Å; N264-A268 PolarHBondContact O-N 3.12Å |
| 265 | D | 94.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -49.6 | 174.8 | -164.6 | 26.4 | 0 | 0 | 0 | 111.5 | H234 L243 H261 L262 L263 L267 A268 I269 | H234-D265 IonicContact CE1-OD1 2.8Å; H234-D265 IonicContact CE1-OD2 3.13Å; H234-D265 PolarHBondContact CE1-OD2 2.96Å; H234-D265 IonicContact NE2-OD1 3.12Å; H234-D265 PolarHBondContact NE2-OD1 3.05Å; H234-D265 IonicContact NE2-OD2 2.67Å; L243-D265 HydrophobicContact CD1-CB 4.2Å; L243-D265 WeakPolarHBondContact CD1-OD2 3.27Å; H261-D265 PolarHBondContact O-N 2.97Å; L262-D265 PolarHBondContact O-N 3.38Å; L263-D265 VanDerWaalsContact C-N 3.31Å; D265-L267 PolarHBondContact O-N 3.38Å; D265-A268 PolarHBondContact O-N 3.01Å; D265-A268 VanDerWaalsContact O-N 3.1Å; D265-I269 WeakPolarHBondContact O-CG1 3.22Å; D265-I269 PolarHBondContact O-N 3.15Å |
| 266 | A | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.1 | -33.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A240 L243 L262 R270 | A240-A266 HydrophobicContact CB-CB 4.17Å; L243-A266 HydrophobicContact CB-CB 3.95Å; L243-A266 HydrophobicContact CD1-CB 4.38Å; L262-A266 WeakPolarHBondContact O-CB 3.4Å; L262-A266 PolarHBondContact O-N 3.01Å; A266-R270 WeakPolarHBondContact O-CB 3.49Å; A266-R270 WeakPolarHBondContact O-CD 3.13Å; A266-R270 WeakPolarHBondContact O-CG 3.32Å; A266-R270 PolarHBondContact O-N 3.47Å |
| 267 | L | 93.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -47.1 | 175.1 | -179.3 | 68.5 | 0 | 0 | 0 | 110.7 | L263 N264 D265 I269 R270 E271 V281 T284 L285 L288 | L263-L267 VanDerWaalsContact O-CB 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 PolarHBondContact O-N 3.49Å; N264-L267 WeakPolarHBondContact O-CB 3.32Å; N264-L267 PolarHBondContact O-N 3.22Å; D265-L267 PolarHBondContact O-N 3.38Å; L267-I269 VanDerWaalsContact C-N 3.34Å; L267-I269 PolarHBondContact O-N 2.83Å; L267-R270 PolarHBondContact O-N 3.03Å; L267-E271 HydrophobicContact CD1-CG 4.31Å; L267-E271 HydrophobicContact CG-CG 4.41Å; L267-E271 WeakPolarHBondContact O-CB 3.37Å; L267-E271 WeakPolarHBondContact O-CG 3.47Å; L267-E271 PolarHBondContact O-N 3.22Å; L267-V281 HydrophobicContact CD1-CG1 3.77Å; L267-T284 HydrophobicContact CB-CG2 3.84Å; L267-T284 HydrophobicContact CD1-CG2 4.24Å; L267-L285 HydrophobicContact CD1-CD2 3.96Å; L267-L285 HydrophobicContact CD1-CG 3.83Å; L267-L285 HydrophobicContact CD2-CD2 3.72Å; L267-L288 HydrophobicContact CB-CD1 4.43Å; L267-L288 HydrophobicContact CD2-CD1 3.98Å |
| 268 | A | 94.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N264 D265 E271 K272 | N264-A268 PolarHBondContact O-N 3.12Å; D265-A268 PolarHBondContact O-N 3.01Å; D265-A268 VanDerWaalsContact O-N 3.1Å; A268-E271 PolarHBondContact O-N 3.03Å; A268-K272 WeakPolarHBondContact O-CG 3.43Å; A268-K272 PolarHBondContact O-N 3.36Å; A268-K272 VanDerWaalsContact O-N 3.12Å |
| 269 | I | 93.4 | Very high | 92 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.2 | -63 | 162.7 | 0 | 0 | 0 | 110.8 | H234 V239 A240 L243 D265 L267 E271 K272 T273 | H234-I269 VanDerWaalsContact O-CD1 3.31Å; H234-I269 WeakPolarHBondContact O-CD1 3.35Å; V239-I269 HydrophobicContact CG1-CD1 4.13Å; A240-I269 HydrophobicContact CB-CB 4.03Å; A240-I269 HydrophobicContact CB-CG2 3.86Å; L243-I269 HydrophobicContact CD1-CD1 3.71Å; D265-I269 WeakPolarHBondContact O-CG1 3.22Å; D265-I269 PolarHBondContact O-N 3.15Å; L267-I269 VanDerWaalsContact C-N 3.34Å; L267-I269 PolarHBondContact O-N 2.83Å; I269-E271 PolarHBondContact O-N 3.4Å; I269-K272 PolarHBondContact O-N 3.28Å; I269-T273 HydrophobicContact CG2-CG2 4.28Å; I269-T273 WeakPolarHBondContact O-CB 3.49Å; I269-T273 WeakPolarHBondContact O-CG2 3.42Å; I269-T273 PolarHBondContact O-N 3.16Å; I269-T273 PolarHBondContact O-OG1 2.95Å |
| 270 | R | 92.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | -179.8 | -75.6 | 171.3 | 178.4 | -167.7 | -3 | 112.8 | A240 A266 L267 T273 L274 A280 V281 T284 | A240-R270 HydrophobicContact CB-CG 3.78Å; A266-R270 WeakPolarHBondContact O-CB 3.49Å; A266-R270 WeakPolarHBondContact O-CD 3.13Å; A266-R270 WeakPolarHBondContact O-CG 3.32Å; A266-R270 PolarHBondContact O-N 3.47Å; L267-R270 PolarHBondContact O-N 3.03Å; R270-T273 WeakPolarHBondContact CA-OG1 3.3Å; R270-T273 PolarHBondContact O-OG1 2.9Å; R270-L274 HydrophobicContact CB-CD1 4.31Å; R270-L274 HydrophobicContact CG-CD1 4.13Å; R270-L274 WeakPolarHBondContact O-CB 3.37Å; R270-L274 PolarHBondContact O-N 3.4Å; R270-A280 PolarHBondContact NH1-O 3.34Å; R270-V281 HydrophobicContact CB-CG2 3.89Å; R270-T284 WeakPolarHBondContact CD-OG1 3.35Å; R270-T284 PolarHBondContact NH1-OG1 3.25Å |
| 271 | E | 93 | Very high | 91.7 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.5 | -75.4 | -177.5 | -177.9 | 0 | 0 | 112.4 | L267 A268 I269 G275 V281 R307 | L267-E271 HydrophobicContact CD1-CG 4.31Å; L267-E271 HydrophobicContact CG-CG 4.41Å; L267-E271 WeakPolarHBondContact O-CB 3.37Å; L267-E271 WeakPolarHBondContact O-CG 3.47Å; L267-E271 PolarHBondContact O-N 3.22Å; A268-E271 PolarHBondContact O-N 3.03Å; I269-E271 PolarHBondContact O-N 3.4Å; E271-G275 VanDerWaalsContact O-CA 3.28Å; E271-G275 WeakPolarHBondContact O-CA 3.33Å; E271-G275 PolarHBondContact O-N 3.25Å; E271-V281 HydrophobicContact CG-CG1 4.04Å; E271-V281 HydrophobicContact CG-CG2 4.11Å; E271-R307 IonicContact OE1-CZ 2.85Å; E271-R307 IonicContact OE1-NH1 3.48Å; E271-R307 PolarHBondContact OE1-NH1 3.34Å; E271-R307 IonicContact OE1-NH2 2.69Å; E271-R307 PolarHBondContact OE1-NH2 2.88Å |
| 272 | K | 92.6 | Very high | 91.6 | Very high | 141 Ų | 141 | 43.1 Ų | 43.1 | 61% | 0.613 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -69.4 | -43.1 | 175.9 | -71.3 | 178.4 | -174.5 | 174.3 | 0 | 112.5 | D235 A268 I269 | D235-K272 IonicContact OD1-NZ 2.62Å; D235-K272 PolarHBondContact OD1-NZ 3.25Å; D235-K272 IonicContact OD2-NZ 3.79Å; D235-K272 PolarHBondContact OD2-NZ 2.94Å; D235-K272 VanDerWaalsContact OD2-NZ 3.11Å; A268-K272 WeakPolarHBondContact O-CG 3.43Å; A268-K272 PolarHBondContact O-N 3.36Å; A268-K272 VanDerWaalsContact O-N 3.12Å; I269-K272 PolarHBondContact O-N 3.28Å |
| 273 | T | 90.4 | Very high | 91.3 | Very high | 58 Ų | 58 | 42.1 Ų | 42.1 | 36% | 0.356 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -84.2 | -43.4 | -171.7 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | D235 I269 R270 | D235-T273 WeakPolarHBondContact O-CG2 3.39Å; I269-T273 HydrophobicContact CG2-CG2 4.28Å; I269-T273 WeakPolarHBondContact O-CB 3.49Å; I269-T273 WeakPolarHBondContact O-CG2 3.42Å; I269-T273 PolarHBondContact O-N 3.16Å; I269-T273 PolarHBondContact O-OG1 2.95Å; R270-T273 WeakPolarHBondContact CA-OG1 3.3Å; R270-T273 PolarHBondContact O-OG1 2.9Å |
| 274 | L | 87.3 | Confident | 91.2 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -106.8 | -11.8 | -171.6 | -60 | 161.2 | 0 | 0 | 0 | 112.3 | R270 H278 A280 | R270-L274 HydrophobicContact CB-CD1 4.31Å; R270-L274 HydrophobicContact CG-CD1 4.13Å; R270-L274 WeakPolarHBondContact O-CB 3.37Å; R270-L274 PolarHBondContact O-N 3.4Å; L274-H278 HydrophobicContact CB-CB 3.77Å; L274-A280 HydrophobicContact CD1-CB 3.9Å |
| 275 | G | 89.8 | Confident | 91.1 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 32% | 0.32 | 21% | 0.208 | S | C | . | . | trans | 86.9 | 162 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E271 D277 H278 V281 | E271-G275 VanDerWaalsContact O-CA 3.28Å; E271-G275 WeakPolarHBondContact O-CA 3.33Å; E271-G275 PolarHBondContact O-N 3.25Å; G275-D277 VanDerWaalsContact C-N 3.35Å; G275-D277 PolarHBondContact O-N 3.01Å; G275-H278 PolarHBondContact O-N 3.39Å; G275-V281 WeakPolarHBondContact O-CG2 3.35Å | ||
| 276 | K | 89.6 | Confident | 91 | Very high | 144 Ų | 144 | 37.6 Ų | 37.6 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.6 | -169.3 | -65.1 | 178.2 | -178.5 | 176.2 | 0 | 114.9 | I311 | K276-I311 VanDerWaalsContact O-CD1 3.25Å; K276-I311 WeakPolarHBondContact O-CD1 3.29Å |
| 277 | D | 89.2 | Confident | 90.8 | Very high | 81 Ų | 81 | 39 Ų | 39 | 43% | 0.433 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 13.2 | -178.4 | -67.8 | -61.9 | 0 | 0 | 0 | 112.8 | G275 I311 K314 V315 | G275-D277 VanDerWaalsContact C-N 3.35Å; G275-D277 PolarHBondContact O-N 3.01Å; D277-I311 WeakPolarHBondContact O-CG2 3.33Å; D277-K314 IonicContact OD1-NZ 2.68Å; D277-K314 PolarHBondContact OD1-NZ 2.92Å; D277-K314 IonicContact OD2-NZ 3.73Å; D277-V315 WeakPolarHBondContact O-CG2 3.49Å |
| 278 | H | 88.1 | Confident | 90.7 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 33% | 0.329 | 21% | 0.206 | S | C | . | . | trans | -75.6 | 143.3 | -179 | -167.7 | -94.5 | 0 | 0 | 0 | 112.6 | L274 G275 A280 V281 A282 | L274-H278 HydrophobicContact CB-CB 3.77Å; G275-H278 PolarHBondContact O-N 3.39Å; H278-A280 VanDerWaalsContact ND1-CB 3.29Å; H278-A280 WeakPolarHBondContact ND1-CB 3.47Å; H278-A280 PolarHBondContact ND1-N 3.01Å; H278-A280 VanDerWaalsContact ND1-N 3.11Å; H278-A280 PolarHBondContact O-N 3Å; H278-A280 VanDerWaalsContact O-N 3.16Å; H278-V281 HydrophobicContact CB-CG2 4.32Å; H278-V281 WeakPolarHBondContact O-CB 3.48Å; H278-V281 PolarHBondContact O-N 3.35Å; H278-A282 PolarHBondContact O-N 2.68Å | ||
| 279 | P | 87.6 | Confident | 90.6 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -53.6 | -36.2 | 177.1 | -30.9 | 37.4 | 0 | 0 | 0 | 114.8 | V281 A282 A283 V315 | P279-V281 VanDerWaalsContact C-N 3.29Å; P279-V281 PolarHBondContact O-N 3.31Å; P279-A282 WeakPolarHBondContact O-CB 3.43Å; P279-A282 PolarHBondContact O-N 2.92Å; P279-A283 WeakPolarHBondContact O-CB 3.42Å; P279-A283 PolarHBondContact O-N 3.39Å; P279-V315 HydrophobicContact CG-CB 4.44Å; P279-V315 HydrophobicContact CG-CG1 3.79Å; P279-V315 HydrophobicContact CG-CG2 4.42Å |
| 280 | A | 86.8 | Confident | 90.3 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -32.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R270 L274 H278 A283 T284 | R270-A280 PolarHBondContact NH1-O 3.34Å; L274-A280 HydrophobicContact CD1-CB 3.9Å; H278-A280 VanDerWaalsContact ND1-CB 3.29Å; H278-A280 WeakPolarHBondContact ND1-CB 3.47Å; H278-A280 PolarHBondContact ND1-N 3.01Å; H278-A280 VanDerWaalsContact ND1-N 3.11Å; H278-A280 PolarHBondContact O-N 3Å; H278-A280 VanDerWaalsContact O-N 3.16Å; A280-A283 PolarHBondContact O-N 3.4Å; A280-T284 PolarHBondContact O-N 3.48Å; A280-T284 PolarHBondContact O-OG1 3.35Å; A280-T284 VanDerWaalsContact O-OG1 3.05Å |
| 281 | V | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68 | -46.8 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | L267 R270 E271 G275 H278 P279 A283 T284 L285 I311 | L267-V281 HydrophobicContact CD1-CG1 3.77Å; R270-V281 HydrophobicContact CB-CG2 3.89Å; E271-V281 HydrophobicContact CG-CG1 4.04Å; E271-V281 HydrophobicContact CG-CG2 4.11Å; G275-V281 WeakPolarHBondContact O-CG2 3.35Å; H278-V281 HydrophobicContact CB-CG2 4.32Å; H278-V281 WeakPolarHBondContact O-CB 3.48Å; H278-V281 PolarHBondContact O-N 3.35Å; P279-V281 VanDerWaalsContact C-N 3.29Å; P279-V281 PolarHBondContact O-N 3.31Å; V281-A283 PolarHBondContact O-N 2.91Å; V281-T284 PolarHBondContact O-N 2.95Å; V281-L285 HydrophobicContact CG1-CD1 3.92Å; V281-L285 HydrophobicContact CG1-CG 4.37Å; V281-L285 WeakPolarHBondContact O-CB 3.3Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 2.86Å; V281-I311 HydrophobicContact CG1-CD1 4.1Å |
| 282 | A | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -36.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H278 P279 N286 A308 I311 R312 | H278-A282 PolarHBondContact O-N 2.68Å; P279-A282 WeakPolarHBondContact O-CB 3.43Å; P279-A282 PolarHBondContact O-N 2.92Å; A282-N286 WeakPolarHBondContact O-CB 3.25Å; A282-N286 PolarHBondContact O-N 3.21Å; A282-A308 HydrophobicContact CB-CB 4.25Å; A282-A308 WeakPolarHBondContact O-CB 3.35Å; A282-I311 HydrophobicContact CB-CB 3.97Å; A282-I311 HydrophobicContact CB-CD1 4.43Å; A282-I311 HydrophobicContact CB-CG2 3.78Å; A282-R312 HydrophobicContact CB-CG 4.1Å |
| 283 | A | 88.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y192 P279 A280 V281 N286 N287 | Y192-A283 HydrophobicContact CD2-CB 4.43Å; Y192-A283 HydrophobicContact CE1-CB 4.13Å; Y192-A283 HydrophobicContact CE2-CB 3.54Å; Y192-A283 WeakPolarHBondContact OH-CB 3.29Å; Y192-A283 PolarHBondContact OH-O 3.11Å; P279-A283 WeakPolarHBondContact O-CB 3.42Å; P279-A283 PolarHBondContact O-N 3.39Å; A280-A283 PolarHBondContact O-N 3.4Å; V281-A283 PolarHBondContact O-N 2.91Å; A283-N286 PolarHBondContact O-N 2.71Å; A283-N287 PolarHBondContact O-N 3.14Å; A283-N287 VanDerWaalsContact O-N 3.09Å |
| 284 | T | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 173.5 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | L263 L267 R270 A280 V281 N286 N287 L288 | L263-T284 HydrophobicContact CB-CG2 4.36Å; L263-T284 HydrophobicContact CD2-CG2 4.38Å; L263-T284 WeakPolarHBondContact O-CG2 3.34Å; L267-T284 HydrophobicContact CB-CG2 3.84Å; L267-T284 HydrophobicContact CD1-CG2 4.24Å; R270-T284 WeakPolarHBondContact CD-OG1 3.35Å; R270-T284 PolarHBondContact NH1-OG1 3.25Å; A280-T284 PolarHBondContact O-N 3.48Å; A280-T284 PolarHBondContact O-OG1 3.35Å; A280-T284 VanDerWaalsContact O-OG1 3.05Å; V281-T284 PolarHBondContact O-N 2.95Å; T284-N286 VanDerWaalsContact C-N 3.3Å; T284-N286 PolarHBondContact O-N 2.76Å; T284-N287 PolarHBondContact O-N 3.09Å; T284-N287 VanDerWaalsContact O-N 3.14Å; T284-L288 HydrophobicContact CG2-CD1 4.37Å; T284-L288 PolarHBondContact O-N 2.85Å |
| 285 | L | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 177.6 | -74.6 | 170.3 | 0 | 0 | 0 | 111.7 | L267 V281 L288 A289 L304 R307 A308 I311 | L267-L285 HydrophobicContact CD1-CD2 3.96Å; L267-L285 HydrophobicContact CD1-CG 3.83Å; L267-L285 HydrophobicContact CD2-CD2 3.72Å; V281-L285 HydrophobicContact CG1-CD1 3.92Å; V281-L285 HydrophobicContact CG1-CG 4.37Å; V281-L285 WeakPolarHBondContact O-CB 3.3Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.36Å; V281-L285 PolarHBondContact O-N 2.86Å; L285-L288 PolarHBondContact O-N 2.86Å; L285-A289 WeakPolarHBondContact O-CB 3.29Å; L285-A289 PolarHBondContact O-N 3.18Å; L285-L304 HydrophobicContact CD2-CB 4.41Å; L285-L304 HydrophobicContact CD2-CD2 3.74Å; L285-R307 HydrophobicContact CD1-CB 4.22Å; L285-R307 HydrophobicContact CD1-CG 3.81Å; L285-A308 HydrophobicContact CB-CB 3.83Å; L285-A308 HydrophobicContact CD1-CB 4.4Å; L285-I311 HydrophobicContact CD1-CD1 3.91Å |
| 286 | N | 91.4 | Very high | 89.4 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.3 | -177.7 | 63.9 | 0 | 0 | 0 | 112.2 | A282 A283 T284 L288 A289 V290 Q326 N329 | A282-N286 WeakPolarHBondContact O-CB 3.25Å; A282-N286 PolarHBondContact O-N 3.21Å; A283-N286 PolarHBondContact O-N 2.71Å; T284-N286 VanDerWaalsContact C-N 3.3Å; T284-N286 PolarHBondContact O-N 2.76Å; N286-L288 PolarHBondContact O-N 3.4Å; N286-A289 PolarHBondContact O-N 2.9Å; N286-V290 WeakPolarHBondContact O-CG2 3.39Å; N286-V290 PolarHBondContact O-N 3.27Å; N286-Q326 PolarHBondContact OD1-OE1 3.28Å; N286-N329 PolarHBondContact OD1-ND2 3.49Å |
| 287 | N | 90.6 | Very high | 89.5 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.16 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 175.8 | -72.5 | -13.8 | 0 | 0 | 0 | 111.8 | Y192 N244 L263 A283 T284 V290 L291 | Y192-N287 PolarHBondContact OH-ND2 3.4Å; N244-N287 PolarHBondContact OD1-ND2 2.74Å; N244-N287 VanDerWaalsContact OD1-ND2 3.08Å; L263-N287 HydrophobicContact CD1-CB 3.58Å; A283-N287 PolarHBondContact O-N 3.14Å; A283-N287 VanDerWaalsContact O-N 3.09Å; T284-N287 PolarHBondContact O-N 3.09Å; T284-N287 VanDerWaalsContact O-N 3.14Å; N287-V290 PolarHBondContact O-N 2.68Å; N287-L291 WeakPolarHBondContact O-CG 3.3Å; N287-L291 PolarHBondContact O-N 2.82Å |
| 288 | L | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 173.6 | -81.3 | 167.7 | 0 | 0 | 0 | 112.1 | A260 L263 L267 T284 L285 N286 V290 L291 Y292 L304 | A260-L288 HydrophobicContact CB-CD2 4.5Å; L263-L288 HydrophobicContact CB-CD1 4.25Å; L263-L288 HydrophobicContact CB-CD2 3.42Å; L263-L288 VanDerWaalsContact CB-CD2 3.42Å; L263-L288 HydrophobicContact CB-CG 3.61Å; L263-L288 HydrophobicContact CD1-CD2 4.16Å; L263-L288 HydrophobicContact CD1-CG 4.04Å; L263-L288 HydrophobicContact CG-CD2 4.42Å; L267-L288 HydrophobicContact CB-CD1 4.43Å; L267-L288 HydrophobicContact CD2-CD1 3.98Å; T284-L288 HydrophobicContact CG2-CD1 4.37Å; T284-L288 PolarHBondContact O-N 2.85Å; L285-L288 PolarHBondContact O-N 2.86Å; N286-L288 PolarHBondContact O-N 3.4Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.31Å; L288-L291 WeakPolarHBondContact O-CB 3.28Å; L288-L291 PolarHBondContact O-N 3.2Å; L288-L291 VanDerWaalsContact O-N 3.14Å; L288-Y292 PolarHBondContact O-N 3.14Å; L288-L304 HydrophobicContact CB-CD1 3.99Å |
| 289 | A | 91.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L285 N286 Y292 G293 A301 L304 C305 L333 | L285-A289 WeakPolarHBondContact O-CB 3.29Å; L285-A289 PolarHBondContact O-N 3.18Å; N286-A289 PolarHBondContact O-N 2.9Å; A289-Y292 PolarHBondContact O-N 3.06Å; A289-G293 PolarHBondContact O-N 3.18Å; A289-A301 HydrophobicContact CB-CB 4.33Å; A289-A301 WeakPolarHBondContact O-CB 3.48Å; A289-L304 HydrophobicContact CB-CB 4.28Å; A289-C305 HydrophobicContact CB-CB 4.03Å; A289-L333 HydrophobicContact CB-CD1 4.38Å |
| 290 | V | 88.4 | Confident | 89.6 | Confident | 55 Ų | 55 | 40.5 Ų | 40.5 | 33% | 0.333 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.1 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | N286 N287 L288 G293 K294 | N286-V290 WeakPolarHBondContact O-CG2 3.39Å; N286-V290 PolarHBondContact O-N 3.27Å; N287-V290 PolarHBondContact O-N 2.68Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.31Å; V290-G293 PolarHBondContact O-N 2.95Å; V290-K294 WeakPolarHBondContact O-CG 3.35Å; V290-K294 PolarHBondContact O-N 3.43Å |
| 291 | L | 89.3 | Confident | 89.8 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.2 | -70.9 | 180 | 0 | 0 | 0 | 111.9 | R251 Y256 A259 A260 L263 N287 L288 K294 R295 | R251-L291 HydrophobicContact CB-CD2 3.87Å; R251-L291 HydrophobicContact CG-CD2 3.62Å; Y256-L291 HydrophobicContact CD1-CD2 3.82Å; Y256-L291 HydrophobicContact CE1-CD2 4.42Å; A259-L291 HydrophobicContact CB-CD1 3.73Å; A259-L291 HydrophobicContact CB-CD2 4.15Å; A260-L291 HydrophobicContact CB-CD1 4.42Å; L263-L291 HydrophobicContact CD1-CD1 3.49Å; L263-L291 VanDerWaalsContact CD1-CD1 3.49Å; L263-L291 HydrophobicContact CD1-CG 4.34Å; L263-L291 HydrophobicContact CG-CD1 4.26Å; N287-L291 WeakPolarHBondContact O-CG 3.3Å; N287-L291 PolarHBondContact O-N 2.82Å; L288-L291 WeakPolarHBondContact O-CB 3.28Å; L288-L291 PolarHBondContact O-N 3.2Å; L288-L291 VanDerWaalsContact O-N 3.14Å; L291-K294 PolarHBondContact O-N 2.96Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3.45Å; L291-R295 VanDerWaalsContact O-N 3.16Å |
| 292 | Y | 90.4 | Very high | 89.7 | Confident | 36 Ų | 36 | 41 Ų | 41 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 176.1 | -72.2 | -24.5 | 0 | 0 | 0 | 112.3 | A260 L288 A289 K294 R295 G296 K297 E300 L304 | A260-Y292 HydrophobicContact CB-CE1 4Å; L288-Y292 PolarHBondContact O-N 3.14Å; A289-Y292 PolarHBondContact O-N 3.06Å; Y292-K294 PolarHBondContact O-N 3.34Å; Y292-R295 CarbonylContact O-C 3.57Å; Y292-R295 PolarHBondContact O-N 3.43Å; Y292-R295 VanDerWaalsContact O-N 3.13Å; Y292-G296 PolarHBondContact O-N 2.94Å; Y292-K297 PolarHBondContact O-N 2.93Å; Y292-E300 HydrophobicContact CD2-CB 4.08Å; Y292-E300 HydrophobicContact CE2-CB 4.44Å; Y292-L304 HydrophobicContact CD2-CD1 3.72Å; Y292-L304 HydrophobicContact CE2-CD1 3.68Å |
| 293 | G | 86.8 | Confident | 89.8 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A289 V290 R295 G296 Y298 | A289-G293 PolarHBondContact O-N 3.18Å; V290-G293 PolarHBondContact O-N 2.95Å; G293-R295 VanDerWaalsContact C-N 3.27Å; G293-R295 PolarHBondContact O-N 2.98Å; G293-G296 PolarHBondContact O-N 3.38Å; G293-G296 VanDerWaalsContact O-N 3.1Å; G293-Y298 WeakPolarHBondContact O-CE1 3.22Å |
| 294 | K | 86.4 | Confident | 90 | Very high | 143 Ų | 143 | 46.1 Ų | 46.1 | 62% | 0.622 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.1 | -28.9 | 175.1 | -73.3 | -72.3 | -175.8 | 176.3 | 0 | 113.3 | Y256 V290 L291 Y292 G296 | Y256-K294 HydrophobicContact CD1-CB 4.2Å; Y256-K294 HydrophobicContact CE1-CB 3.75Å; Y256-K294 HydrophobicContact CE1-CG 4.21Å; V290-K294 WeakPolarHBondContact O-CG 3.35Å; V290-K294 PolarHBondContact O-N 3.43Å; L291-K294 PolarHBondContact O-N 2.96Å; Y292-K294 PolarHBondContact O-N 3.34Å; K294-G296 VanDerWaalsContact C-N 3.29Å |
| 295 | R | 87.4 | Confident | 90 | Very high | 92 Ų | 92 | 46.1 Ų | 46.1 | 35% | 0.347 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -2.4 | 174.1 | -68.6 | -178.1 | 67.7 | -174.2 | -2.8 | 113.9 | Y256 L291 Y292 G293 K297 | Y256-R295 HydrophobicContact CD2-CG 4.47Å; Y256-R295 HydrophobicContact CG-CG 4.06Å; L291-R295 WeakPolarHBondContact O-CG 3.48Å; L291-R295 PolarHBondContact O-N 3.45Å; L291-R295 VanDerWaalsContact O-N 3.16Å; Y292-R295 CarbonylContact O-C 3.57Å; Y292-R295 PolarHBondContact O-N 3.43Å; Y292-R295 VanDerWaalsContact O-N 3.13Å; G293-R295 VanDerWaalsContact C-N 3.27Å; G293-R295 PolarHBondContact O-N 2.98Å; R295-K297 VanDerWaalsContact C-N 3.25Å; R295-K297 HydrophobicContact CB-CG 4.35Å; R295-K297 PolarHBondContact O-N 3.35Å |
| 296 | G | 86.6 | Confident | 90 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 7.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y292 G293 K294 Y298 | Y292-G296 PolarHBondContact O-N 2.94Å; G293-G296 PolarHBondContact O-N 3.38Å; G293-G296 VanDerWaalsContact O-N 3.1Å; K294-G296 VanDerWaalsContact C-N 3.29Å; G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 WeakPolarHBondContact O-CD2 3.35Å; G296-Y298 PolarHBondContact O-N 3.41Å; G296-Y298 VanDerWaalsContact O-N 3.1Å |
| 297 | K | 90.7 | Very high | 90.1 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 32% | 0.317 | 25% | 0.25 | S | C | . | . | trans | -87.1 | 60.9 | 179.3 | -68.1 | -159.8 | 169.9 | -155.3 | 0 | 111.7 | Y292 R295 K299 E300 A301 | Y292-K297 PolarHBondContact O-N 2.93Å; R295-K297 VanDerWaalsContact C-N 3.25Å; R295-K297 HydrophobicContact CB-CG 4.35Å; R295-K297 PolarHBondContact O-N 3.35Å; K297-K299 PolarHBondContact O-N 2.88Å; K297-E300 HydrophobicContact CB-CB 4.44Å; K297-E300 WeakPolarHBondContact CD-OE2 3.32Å; K297-E300 VanDerWaalsContact NZ-CD 3.27Å; K297-E300 IonicContact NZ-OE1 3.62Å; K297-E300 PolarHBondContact NZ-OE1 3.3Å; K297-E300 IonicContact NZ-OE2 3.96Å; K297-E300 PolarHBondContact NZ-OE2 3.05Å; K297-E300 PolarHBondContact O-N 2.96Å; K297-A301 PolarHBondContact O-N 3.47Å | ||
| 298 | Y | 89.2 | Confident | 90.2 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 26% | 0.263 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -34.5 | -172.6 | -53.9 | -64.5 | 0 | 0 | 0 | 113.7 | G293 G296 E300 A301 E302 L333 N336 Q337 | G293-Y298 WeakPolarHBondContact O-CE1 3.22Å; G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 WeakPolarHBondContact O-CD2 3.35Å; G296-Y298 PolarHBondContact O-N 3.41Å; G296-Y298 VanDerWaalsContact O-N 3.1Å; Y298-E300 PolarHBondContact O-N 2.93Å; Y298-A301 PolarHBondContact O-N 3.48Å; Y298-E302 PolarHBondContact O-N 3.08Å; Y298-E302 VanDerWaalsContact O-N 3.08Å; Y298-L333 HydrophobicContact CD1-CD2 3.94Å; Y298-N336 HydrophobicContact CD1-CB 3.83Å; Y298-N336 HydrophobicContact CD2-CB 3.98Å; Y298-N336 HydrophobicContact CE1-CB 3.62Å; Y298-N336 WeakPolarHBondContact CE1-ND2 3.46Å; Y298-N336 HydrophobicContact CE2-CB 3.77Å; Y298-N336 HydrophobicContact CG-CB 4.01Å; Y298-Q337 HydrophobicContact CG-CG 4.4Å |
| 299 | K | 88.9 | Confident | 90.3 | Very high | 177 Ų | 177 | 51 Ų | 51 | 77% | 0.77 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.1 | -36.3 | 177.5 | -68.2 | -173.3 | 177.3 | -177.5 | 0 | 113.1 | K297 P303 | K297-K299 PolarHBondContact O-N 2.88Å; K299-P303 WeakPolarHBondContact O-CD 3.39Å |
| 300 | E | 88.9 | Confident | 90.3 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76 | -29.2 | 175.6 | -68.5 | 175.8 | -154.3 | 0 | 0 | 111.5 | Y292 K297 Y298 P303 | Y292-E300 HydrophobicContact CD2-CB 4.08Å; Y292-E300 HydrophobicContact CE2-CB 4.44Å; K297-E300 HydrophobicContact CB-CB 4.44Å; K297-E300 WeakPolarHBondContact CD-OE2 3.32Å; K297-E300 VanDerWaalsContact NZ-CD 3.27Å; K297-E300 IonicContact NZ-OE1 3.62Å; K297-E300 PolarHBondContact NZ-OE1 3.3Å; K297-E300 IonicContact NZ-OE2 3.96Å; K297-E300 PolarHBondContact NZ-OE2 3.05Å; K297-E300 PolarHBondContact O-N 2.96Å; Y298-E300 PolarHBondContact O-N 2.93Å; E300-P303 WeakPolarHBondContact O-CD 3.45Å; E300-P303 WeakPolarHBondContact O-CG 3.2Å |
| 301 | A | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76.3 | -34.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A289 K297 Y298 L304 C305 L333 | A289-A301 HydrophobicContact CB-CB 4.33Å; A289-A301 WeakPolarHBondContact O-CB 3.48Å; K297-A301 PolarHBondContact O-N 3.47Å; Y298-A301 PolarHBondContact O-N 3.48Å; A301-L304 PolarHBondContact O-N 3.33Å; A301-C305 WeakPolarHBondContact O-CB 3.35Å; A301-C305 PolarHBondContact O-N 2.88Å; A301-L333 HydrophobicContact CB-CD1 3.91Å; A301-L333 HydrophobicContact CB-CD2 3.81Å |
| 302 | E | 89.8 | Confident | 90.6 | Very high | 21 Ų | 21 | 55 Ų | 55 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.7 | -52.8 | -178.1 | -173.8 | -179.3 | 151.9 | 0 | 0 | 114.1 | Y298 L304 C305 K306 L330 Q337 K339 | Y298-E302 PolarHBondContact O-N 3.08Å; Y298-E302 VanDerWaalsContact O-N 3.08Å; E302-L304 VanDerWaalsContact C-N 3.29Å; E302-L304 PolarHBondContact O-N 3.36Å; E302-C305 PolarHBondContact O-N 3.45Å; E302-C305 VanDerWaalsContact O-N 3.16Å; E302-K306 HydrophobicContact CG-CD 4.36Å; E302-K306 PolarHBondContact O-N 3Å; E302-K306 VanDerWaalsContact OE1-CE 3.27Å; E302-K306 WeakPolarHBondContact OE1-CE 3.4Å; E302-K306 IonicContact OE1-NZ 3.99Å; E302-K306 PolarHBondContact OE1-NZ 3.22Å; E302-L330 HydrophobicContact CG-CD1 4.26Å; E302-Q337 PolarHBondContact OE2-NE2 3.39Å; E302-Q337 PolarHBondContact OE2-OE1 3.19Å; E302-K339 VanDerWaalsContact CD-NZ 3.35Å; E302-K339 IonicContact OE1-NZ 3.83Å; E302-K339 PolarHBondContact OE1-NZ 2.71Å; E302-K339 VanDerWaalsContact OE1-NZ 3.13Å; E302-K339 IonicContact OE2-NZ 3Å; E302-K339 PolarHBondContact OE2-NZ 3.4Å |
| 303 | P | 92.6 | Very high | 90.7 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | -179 | 24.3 | -34.5 | 0 | 0 | 0 | 112.6 | K299 E300 K306 R307 | K299-P303 WeakPolarHBondContact O-CD 3.39Å; E300-P303 WeakPolarHBondContact O-CD 3.45Å; E300-P303 WeakPolarHBondContact O-CG 3.2Å; P303-K306 PolarHBondContact O-N 3.34Å; P303-R307 WeakPolarHBondContact O-CB 3.43Å; P303-R307 PolarHBondContact O-N 3.29Å |
| 304 | L | 93.4 | Very high | 90.9 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 175.9 | -59.9 | 177.3 | 0 | 0 | 0 | 111.5 | L285 L288 A289 Y292 A301 E302 A308 | L285-L304 HydrophobicContact CD2-CB 4.41Å; L285-L304 HydrophobicContact CD2-CD2 3.74Å; L288-L304 HydrophobicContact CB-CD1 3.99Å; A289-L304 HydrophobicContact CB-CB 4.28Å; Y292-L304 HydrophobicContact CD2-CD1 3.72Å; Y292-L304 HydrophobicContact CE2-CD1 3.68Å; A301-L304 PolarHBondContact O-N 3.33Å; E302-L304 VanDerWaalsContact C-N 3.29Å; E302-L304 PolarHBondContact O-N 3.36Å; L304-A308 WeakPolarHBondContact O-CB 3.35Å; L304-A308 PolarHBondContact O-N 3.5Å |
| 305 | C | 91.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 179 | -166.1 | 0 | 0 | 0 | 0 | 112 | A289 A301 E302 A308 L309 Q326 L330 L333 | A289-C305 HydrophobicContact CB-CB 4.03Å; A301-C305 WeakPolarHBondContact O-CB 3.35Å; A301-C305 PolarHBondContact O-N 2.88Å; E302-C305 PolarHBondContact O-N 3.45Å; E302-C305 VanDerWaalsContact O-N 3.16Å; C305-A308 PolarHBondContact O-N 2.86Å; C305-L309 PolarHBondContact O-N 2.98Å; C305-Q326 PolarHBondContact O-NE2 3.21Å; C305-Q326 VanDerWaalsContact O-NE2 3.1Å; C305-Q326 PolarHBondContact SG-NE2 3.45Å; C305-L330 HydrophobicContact CB-CD1 3.91Å; C305-L333 HydrophobicContact CB-CD1 3.77Å |
| 306 | K | 92.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 30% | 0.296 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 172.5 | -74.7 | -176.3 | -179.1 | 171.9 | 0 | 112 | E302 P303 A308 L309 E310 L330 | E302-K306 HydrophobicContact CG-CD 4.36Å; E302-K306 PolarHBondContact O-N 3Å; E302-K306 VanDerWaalsContact OE1-CE 3.27Å; E302-K306 WeakPolarHBondContact OE1-CE 3.4Å; E302-K306 IonicContact OE1-NZ 3.99Å; E302-K306 PolarHBondContact OE1-NZ 3.22Å; P303-K306 PolarHBondContact O-N 3.34Å; K306-A308 VanDerWaalsContact C-N 3.31Å; K306-A308 PolarHBondContact O-N 3.03Å; K306-L309 WeakPolarHBondContact O-CA 3.25Å; K306-L309 VanDerWaalsContact O-CB 3.31Å; K306-L309 WeakPolarHBondContact O-CB 3.46Å; K306-L309 PolarHBondContact O-N 3.42Å; K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.41Å; K306-L330 HydrophobicContact CG-CD1 4.06Å; K306-L330 HydrophobicContact CG-CD2 4.1Å |
| 307 | R | 93.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 175.4 | -175.3 | 179.8 | 169.7 | -153.5 | -9.9 | 112 | E271 L285 P303 L309 E310 I311 | E271-R307 IonicContact OE1-CZ 2.85Å; E271-R307 IonicContact OE1-NH1 3.48Å; E271-R307 PolarHBondContact OE1-NH1 3.34Å; E271-R307 IonicContact OE1-NH2 2.69Å; E271-R307 PolarHBondContact OE1-NH2 2.88Å; L285-R307 HydrophobicContact CD1-CB 4.22Å; L285-R307 HydrophobicContact CD1-CG 3.81Å; P303-R307 WeakPolarHBondContact O-CB 3.43Å; P303-R307 PolarHBondContact O-N 3.29Å; R307-L309 VanDerWaalsContact C-N 3.3Å; R307-L309 PolarHBondContact O-N 3.49Å; R307-E310 PolarHBondContact O-N 2.94Å; R307-I311 HydrophobicContact CG-CD1 4.2Å; R307-I311 VanDerWaalsContact O-CG1 3.29Å; R307-I311 WeakPolarHBondContact O-CG1 3.43Å; R307-I311 PolarHBondContact O-N 3.5Å; R307-I311 VanDerWaalsContact O-N 3.1Å |
| 308 | A | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A282 L285 L304 C305 K306 R312 Q326 | A282-A308 HydrophobicContact CB-CB 4.25Å; A282-A308 WeakPolarHBondContact O-CB 3.35Å; L285-A308 HydrophobicContact CB-CB 3.83Å; L285-A308 HydrophobicContact CD1-CB 4.4Å; L304-A308 WeakPolarHBondContact O-CB 3.35Å; L304-A308 PolarHBondContact O-N 3.5Å; C305-A308 PolarHBondContact O-N 2.86Å; K306-A308 VanDerWaalsContact C-N 3.31Å; K306-A308 PolarHBondContact O-N 3.03Å; A308-R312 WeakPolarHBondContact O-CB 3.47Å; A308-R312 VanDerWaalsContact O-CG 3.32Å; A308-R312 WeakPolarHBondContact O-CG 3.36Å; A308-R312 PolarHBondContact O-N 2.84Å; A308-R312 VanDerWaalsContact O-N 3.1Å; A308-Q326 VanDerWaalsContact CB-NE2 3.26Å |
| 309 | L | 92.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -49 | 173.7 | 178.9 | 68 | 0 | 0 | 0 | 111.1 | C305 K306 R307 I311 R312 E313 V323 Q326 L327 L330 | C305-L309 PolarHBondContact O-N 2.98Å; K306-L309 WeakPolarHBondContact O-CA 3.25Å; K306-L309 VanDerWaalsContact O-CB 3.31Å; K306-L309 WeakPolarHBondContact O-CB 3.46Å; K306-L309 PolarHBondContact O-N 3.42Å; R307-L309 VanDerWaalsContact C-N 3.3Å; R307-L309 PolarHBondContact O-N 3.49Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.85Å; L309-R312 PolarHBondContact O-N 3.3Å; L309-R312 VanDerWaalsContact O-N 3.14Å; L309-E313 HydrophobicContact CD1-CG 4.28Å; L309-E313 HydrophobicContact CG-CG 4.38Å; L309-E313 WeakPolarHBondContact O-CB 3.5Å; L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3.11Å; L309-V323 HydrophobicContact CD1-CG1 3.73Å; L309-Q326 HydrophobicContact CB-CG 3.86Å; L309-Q326 HydrophobicContact CD1-CB 4.02Å; L309-Q326 HydrophobicContact CD1-CG 3.97Å; L309-L327 HydrophobicContact CD1-CD2 4Å; L309-L327 HydrophobicContact CD1-CG 3.84Å; L309-L327 HydrophobicContact CD2-CD2 3.68Å; L309-L327 HydrophobicContact CD2-CG 4.44Å; L309-L330 HydrophobicContact CD2-CD2 4.13Å |
| 310 | E | 93.2 | Very high | 91.2 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 177.9 | -70.2 | 165 | -163.4 | 0 | 0 | 111.6 | K306 R307 E313 K314 | K306-E310 WeakPolarHBondContact O-CG 3.36Å; K306-E310 PolarHBondContact O-N 3.41Å; R307-E310 PolarHBondContact O-N 2.94Å; E310-E313 PolarHBondContact O-N 3.25Å; E310-K314 WeakPolarHBondContact O-CG 3.43Å; E310-K314 PolarHBondContact O-N 3.05Å |
| 311 | I | 92.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.6 | -64.4 | 166.1 | 0 | 0 | 0 | 110.8 | K276 D277 V281 A282 L285 R307 L309 E313 K314 V315 | K276-I311 VanDerWaalsContact O-CD1 3.25Å; K276-I311 WeakPolarHBondContact O-CD1 3.29Å; D277-I311 WeakPolarHBondContact O-CG2 3.33Å; V281-I311 HydrophobicContact CG1-CD1 4.1Å; A282-I311 HydrophobicContact CB-CB 3.97Å; A282-I311 HydrophobicContact CB-CD1 4.43Å; A282-I311 HydrophobicContact CB-CG2 3.78Å; L285-I311 HydrophobicContact CD1-CD1 3.91Å; R307-I311 HydrophobicContact CG-CD1 4.2Å; R307-I311 VanDerWaalsContact O-CG1 3.29Å; R307-I311 WeakPolarHBondContact O-CG1 3.43Å; R307-I311 PolarHBondContact O-N 3.5Å; R307-I311 VanDerWaalsContact O-N 3.1Å; L309-I311 VanDerWaalsContact C-N 3.3Å; L309-I311 PolarHBondContact O-N 2.85Å; I311-E313 VanDerWaalsContact C-N 3.33Å; I311-E313 PolarHBondContact O-N 3.05Å; I311-K314 PolarHBondContact O-N 2.75Å; I311-V315 HydrophobicContact CG2-CG2 4.4Å; I311-V315 WeakPolarHBondContact O-CG2 3.39Å; I311-V315 PolarHBondContact O-N 3.26Å |
| 312 | R | 91.4 | Very high | 91 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 178.6 | -76.5 | 176.9 | 177.8 | -119 | -13.8 | 112.2 | A282 A308 L309 L316 D322 V323 | A282-R312 HydrophobicContact CB-CG 4.1Å; A308-R312 WeakPolarHBondContact O-CB 3.47Å; A308-R312 VanDerWaalsContact O-CG 3.32Å; A308-R312 WeakPolarHBondContact O-CG 3.36Å; A308-R312 PolarHBondContact O-N 2.84Å; A308-R312 VanDerWaalsContact O-N 3.1Å; L309-R312 PolarHBondContact O-N 3.3Å; L309-R312 VanDerWaalsContact O-N 3.14Å; R312-L316 WeakPolarHBondContact O-CB 3.44Å; R312-L316 PolarHBondContact O-N 2.71Å; R312-D322 VanDerWaalsContact NH1-CB 3.34Å; R312-D322 PolarHBondContact NH1-O 3.24Å; R312-D322 VanDerWaalsContact NH1-O 3.09Å; R312-D322 IonicContact NH1-OD1 3.74Å; R312-D322 PolarHBondContact NH1-OD1 3.26Å; R312-V323 HydrophobicContact CB-CG2 4.04Å |
| 313 | E | 92.5 | Very high | 91.1 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 176.7 | -74 | -177.9 | 172.3 | 0 | 0 | 112.3 | L309 E310 I311 G317 V323 R349 | L309-E313 HydrophobicContact CD1-CG 4.28Å; L309-E313 HydrophobicContact CG-CG 4.38Å; L309-E313 WeakPolarHBondContact O-CB 3.5Å; L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3.11Å; E310-E313 PolarHBondContact O-N 3.25Å; I311-E313 VanDerWaalsContact C-N 3.33Å; I311-E313 PolarHBondContact O-N 3.05Å; E313-G317 CarbonylContact O-C 3.57Å; E313-G317 WeakPolarHBondContact O-CA 3Å; E313-G317 PolarHBondContact O-N 3.07Å; E313-V323 HydrophobicContact CG-CG1 3.76Å; E313-V323 HydrophobicContact CG-CG2 4.04Å; E313-R349 IonicContact OE1-CZ 2.78Å; E313-R349 IonicContact OE1-NH1 2.62Å; E313-R349 PolarHBondContact OE1-NH1 3.25Å; E313-R349 IonicContact OE1-NH2 2.97Å; E313-R349 PolarHBondContact OE1-NH2 2.93Å |
| 314 | K | 91 | Very high | 91.1 | Very high | 139 Ų | 139 | 50.2 Ų | 50.2 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.2 | -45.1 | 175.7 | -75 | -179.8 | -174 | 176.7 | 0 | 112.4 | D277 E310 I311 | D277-K314 IonicContact OD1-NZ 2.68Å; D277-K314 PolarHBondContact OD1-NZ 2.92Å; D277-K314 IonicContact OD2-NZ 3.73Å; E310-K314 WeakPolarHBondContact O-CG 3.43Å; E310-K314 PolarHBondContact O-N 3.05Å; I311-K314 PolarHBondContact O-N 2.75Å |
| 315 | V | 89.4 | Confident | 90.9 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 44% | 0.436 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -82.4 | -41.9 | -172.7 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | D277 P279 I311 | D277-V315 WeakPolarHBondContact O-CG2 3.49Å; P279-V315 HydrophobicContact CG-CB 4.44Å; P279-V315 HydrophobicContact CG-CG1 3.79Å; P279-V315 HydrophobicContact CG-CG2 4.42Å; I311-V315 HydrophobicContact CG2-CG2 4.4Å; I311-V315 WeakPolarHBondContact O-CG2 3.39Å; I311-V315 PolarHBondContact O-N 3.26Å |
| 316 | L | 87.6 | Confident | 90.9 | Very high | 71 Ų | 71 | 54.3 Ų | 54.3 | 37% | 0.372 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -102.7 | -13.6 | -173.1 | -56 | 172.1 | 0 | 0 | 0 | 113.1 | R312 H320 D322 | R312-L316 WeakPolarHBondContact O-CB 3.44Å; R312-L316 PolarHBondContact O-N 2.71Å; L316-H320 HydrophobicContact CB-CB 3.67Å; L316-D322 HydrophobicContact CD1-CB 3.72Å |
| 317 | G | 89.6 | Confident | 90.9 | Very high | 31 Ų | 31 | 51 Ų | 51 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | trans | 88.6 | 155.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E313 F319 H320 V323 | E313-G317 CarbonylContact O-C 3.57Å; E313-G317 WeakPolarHBondContact O-CA 3Å; E313-G317 PolarHBondContact O-N 3.07Å; G317-F319 PolarHBondContact O-N 3.27Å; G317-F319 VanDerWaalsContact O-N 3.13Å; G317-H320 PolarHBondContact O-N 3.46Å; G317-V323 WeakPolarHBondContact O-CG2 3.25Å | ||
| 318 | K | 89.3 | Confident | 90.8 | Very high | 131 Ų | 131 | 48.4 Ų | 48.4 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.1 | -172.5 | -66.5 | -176.7 | 179.8 | -179.3 | 0 | 115.1 | I353 | K318-I353 WeakPolarHBondContact O-CD1 3.38Š|
| 319 | F | 89.6 | Confident | 90.7 | Very high | 120 Ų | 120 | 50.7 Ų | 50.7 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 20.1 | -175.7 | -60.7 | -79.8 | 0 | 0 | 0 | 113.1 | G317 I353 R357 | G317-F319 PolarHBondContact O-N 3.27Å; G317-F319 VanDerWaalsContact O-N 3.13Å; F319-I353 HydrophobicContact CD1-CG1 4.2Å; F319-I353 WeakPolarHBondContact O-CG2 3.22Å; F319-R357 VanDerWaalsContact O-CG 3.25Å; F319-R357 WeakPolarHBondContact O-CG 3.39Å |
| 320 | H | 89.1 | Confident | 90.6 | Very high | 52 Ų | 52 | 50 Ų | 50 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | trans | -80.8 | 142.2 | 178.5 | -167.4 | -91.5 | 0 | 0 | 0 | 112 | L316 G317 D322 V323 A324 | L316-H320 HydrophobicContact CB-CB 3.67Å; G317-H320 PolarHBondContact O-N 3.46Å; H320-D322 IonicContact CE1-OD2 3.15Å; H320-D322 WeakPolarHBondContact ND1-CB 3.38Å; H320-D322 PolarHBondContact ND1-N 3.43Å; H320-D322 VanDerWaalsContact ND1-N 3.13Å; H320-D322 IonicContact ND1-OD2 3.48Å; H320-D322 PolarHBondContact O-N 3.45Å; H320-D322 VanDerWaalsContact O-N 3.13Å; H320-V323 HydrophobicContact CB-CG2 4.26Å; H320-V323 WeakPolarHBondContact O-CA 3.47Å; H320-V323 VanDerWaalsContact O-CB 3.29Å; H320-V323 WeakPolarHBondContact O-CB 3.32Å; H320-V323 PolarHBondContact O-N 3.41Å; H320-A324 PolarHBondContact O-N 3.08Å | ||
| 321 | P | 89.7 | Confident | 90.5 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -51.2 | -35.7 | 176.2 | -32.8 | 38.5 | 0 | 0 | 0 | 115.2 | V323 A324 K325 Y354 R357 L358 | P321-V323 VanDerWaalsContact C-N 3.29Å; P321-V323 PolarHBondContact O-N 3.4Å; P321-A324 WeakPolarHBondContact O-CB 3.45Å; P321-A324 PolarHBondContact O-N 2.86Å; P321-K325 PolarHBondContact O-N 3.47Å; P321-Y354 HydrophobicContact CB-CE1 4.46Å; P321-R357 HydrophobicContact CG-CB 4.3Å; P321-L358 HydrophobicContact CB-CD1 3.99Å; P321-L358 HydrophobicContact CG-CD1 3.93Å; P321-L358 HydrophobicContact CG-CG 4.38Å |
| 322 | D | 86.8 | Confident | 90.3 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -25.7 | 175.9 | -86.8 | -45.9 | 0 | 0 | 0 | 114.4 | R312 L316 H320 Q326 | R312-D322 VanDerWaalsContact NH1-CB 3.34Å; R312-D322 PolarHBondContact NH1-O 3.24Å; R312-D322 VanDerWaalsContact NH1-O 3.09Å; R312-D322 IonicContact NH1-OD1 3.74Å; R312-D322 PolarHBondContact NH1-OD1 3.26Å; L316-D322 HydrophobicContact CD1-CB 3.72Å; H320-D322 IonicContact CE1-OD2 3.15Å; H320-D322 WeakPolarHBondContact ND1-CB 3.38Å; H320-D322 PolarHBondContact ND1-N 3.43Å; H320-D322 VanDerWaalsContact ND1-N 3.13Å; H320-D322 IonicContact ND1-OD2 3.48Å; H320-D322 PolarHBondContact O-N 3.45Å; H320-D322 VanDerWaalsContact O-N 3.13Å; D322-Q326 PolarHBondContact O-N 3.43Å; D322-Q326 VanDerWaalsContact O-N 3.13Å |
| 323 | V | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.7 | -42.5 | 171 | 174.2 | 0 | 0 | 0 | 0 | 109 | L309 R312 E313 G317 H320 P321 K325 Q326 L327 I353 | L309-V323 HydrophobicContact CD1-CG1 3.73Å; R312-V323 HydrophobicContact CB-CG2 4.04Å; E313-V323 HydrophobicContact CG-CG1 3.76Å; E313-V323 HydrophobicContact CG-CG2 4.04Å; G317-V323 WeakPolarHBondContact O-CG2 3.25Å; H320-V323 HydrophobicContact CB-CG2 4.26Å; H320-V323 WeakPolarHBondContact O-CA 3.47Å; H320-V323 VanDerWaalsContact O-CB 3.29Å; H320-V323 WeakPolarHBondContact O-CB 3.32Å; H320-V323 PolarHBondContact O-N 3.41Å; P321-V323 VanDerWaalsContact C-N 3.29Å; P321-V323 PolarHBondContact O-N 3.4Å; V323-K325 VanDerWaalsContact C-N 3.32Å; V323-K325 PolarHBondContact O-N 3.45Å; V323-Q326 WeakPolarHBondContact O-CB 3.23Å; V323-Q326 PolarHBondContact O-N 3.08Å; V323-Q326 VanDerWaalsContact O-N 3.14Å; V323-L327 HydrophobicContact CG1-CD1 3.97Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 WeakPolarHBondContact O-CB 3.18Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.4Å; V323-L327 PolarHBondContact O-N 3.14Å; V323-I353 HydrophobicContact CG1-CD1 4.2Å |
| 324 | A | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H320 P321 Q326 L327 S328 A350 I353 Y354 | H320-A324 PolarHBondContact O-N 3.08Å; P321-A324 WeakPolarHBondContact O-CB 3.45Å; P321-A324 PolarHBondContact O-N 2.86Å; A324-Q326 VanDerWaalsContact C-N 3.35Å; A324-L327 PolarHBondContact O-N 3.2Å; A324-S328 WeakPolarHBondContact O-CB 3.39Å; A324-S328 PolarHBondContact O-N 3.12Å; A324-S328 PolarHBondContact O-OG 3.41Å; A324-A350 HydrophobicContact CB-CB 4.17Å; A324-I353 HydrophobicContact CB-CB 3.84Å; A324-I353 HydrophobicContact CB-CD1 4.22Å; A324-I353 HydrophobicContact CB-CG2 3.74Å; A324-Y354 HydrophobicContact CB-CD1 3.78Å; A324-Y354 HydrophobicContact CB-CD2 3.92Å; A324-Y354 HydrophobicContact CB-CE1 3.52Å; A324-Y354 HydrophobicContact CB-CE2 3.65Å; A324-Y354 HydrophobicContact CB-CG 4Å; A324-Y354 VanDerWaalsContact CB-CZ 3.46Å |
| 325 | K | 90.1 | Very high | 89.9 | Confident | 117 Ų | 117 | 40.5 Ų | 40.5 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 173.4 | -170.5 | 176.2 | 179.5 | 178.4 | 0 | 111.7 | P321 V323 S328 N329 Y354 | P321-K325 PolarHBondContact O-N 3.47Å; V323-K325 VanDerWaalsContact C-N 3.32Å; V323-K325 PolarHBondContact O-N 3.45Å; K325-S328 WeakPolarHBondContact O-CB 3.42Å; K325-S328 PolarHBondContact O-N 3.31Å; K325-N329 PolarHBondContact O-N 3.37Å; K325-N329 VanDerWaalsContact O-N 3.16Å; K325-Y354 WeakPolarHBondContact CA-OH 3.48Å; K325-Y354 WeakPolarHBondContact CB-OH 3.49Å; K325-Y354 PolarHBondContact N-OH 3.27Å |
| 326 | Q | 90.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.8 | -43.3 | 177.1 | -169.6 | 65.1 | 8.4 | 0 | 0 | 112.2 | N286 C305 A308 L309 D322 V323 A324 S328 N329 L330 | N286-Q326 PolarHBondContact OD1-OE1 3.28Å; C305-Q326 PolarHBondContact O-NE2 3.21Å; C305-Q326 VanDerWaalsContact O-NE2 3.1Å; C305-Q326 PolarHBondContact SG-NE2 3.45Å; A308-Q326 VanDerWaalsContact CB-NE2 3.26Å; L309-Q326 HydrophobicContact CB-CG 3.86Å; L309-Q326 HydrophobicContact CD1-CB 4.02Å; L309-Q326 HydrophobicContact CD1-CG 3.97Å; D322-Q326 PolarHBondContact O-N 3.43Å; D322-Q326 VanDerWaalsContact O-N 3.13Å; V323-Q326 WeakPolarHBondContact O-CB 3.23Å; V323-Q326 PolarHBondContact O-N 3.08Å; V323-Q326 VanDerWaalsContact O-N 3.14Å; A324-Q326 VanDerWaalsContact C-N 3.35Å; Q326-S328 VanDerWaalsContact C-N 3.27Å; Q326-S328 PolarHBondContact O-N 3.12Å; Q326-N329 WeakPolarHBondContact O-CB 3.13Å; Q326-N329 PolarHBondContact O-N 3.02Å; Q326-N329 VanDerWaalsContact O-N 3.13Å; Q326-L330 PolarHBondContact O-N 3.44Å |
| 327 | L | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -40.5 | 173.3 | -73.6 | 166 | 0 | 0 | 0 | 111.5 | L309 V323 A324 N329 L330 A331 Y346 R349 A350 I353 | L309-L327 HydrophobicContact CD1-CD2 4Å; L309-L327 HydrophobicContact CD1-CG 3.84Å; L309-L327 HydrophobicContact CD2-CD2 3.68Å; L309-L327 HydrophobicContact CD2-CG 4.44Å; V323-L327 HydrophobicContact CG1-CD1 3.97Å; V323-L327 HydrophobicContact CG1-CG 4.36Å; V323-L327 WeakPolarHBondContact O-CB 3.18Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.4Å; V323-L327 PolarHBondContact O-N 3.14Å; A324-L327 PolarHBondContact O-N 3.2Å; L327-N329 VanDerWaalsContact C-N 3.35Å; L327-N329 PolarHBondContact O-N 2.99Å; L327-L330 PolarHBondContact O-N 3.19Å; L327-A331 WeakPolarHBondContact O-CB 3.42Å; L327-A331 PolarHBondContact O-N 3.08Å; L327-Y346 HydrophobicContact CD2-CD1 3.68Å; L327-Y346 HydrophobicContact CD2-CE1 4.42Å; L327-Y346 HydrophobicContact CD2-CG 4.46Å; L327-R349 HydrophobicContact CD1-CB 4.15Å; L327-R349 HydrophobicContact CD1-CG 3.81Å; L327-A350 HydrophobicContact CB-CB 4.02Å; L327-I353 HydrophobicContact CD1-CD1 3.83Å |
| 328 | S | 91.4 | Very high | 89.7 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 176 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | A324 K325 Q326 L332 | A324-S328 WeakPolarHBondContact O-CB 3.39Å; A324-S328 PolarHBondContact O-N 3.12Å; A324-S328 PolarHBondContact O-OG 3.41Å; K325-S328 WeakPolarHBondContact O-CB 3.42Å; K325-S328 PolarHBondContact O-N 3.31Å; Q326-S328 VanDerWaalsContact C-N 3.27Å; Q326-S328 PolarHBondContact O-N 3.12Å; S328-L332 PolarHBondContact O-N 2.97Å; S328-L332 VanDerWaalsContact O-N 3.14Å |
| 329 | N | 89.6 | Confident | 89.7 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 175.3 | -70.2 | -14.4 | 0 | 0 | 0 | 111.7 | N286 K325 Q326 L327 L332 L333 | N286-N329 PolarHBondContact OD1-ND2 3.49Å; K325-N329 PolarHBondContact O-N 3.37Å; K325-N329 VanDerWaalsContact O-N 3.16Å; Q326-N329 WeakPolarHBondContact O-CB 3.13Å; Q326-N329 PolarHBondContact O-N 3.02Å; Q326-N329 VanDerWaalsContact O-N 3.13Å; L327-N329 VanDerWaalsContact C-N 3.35Å; L327-N329 PolarHBondContact O-N 2.99Å; N329-L332 PolarHBondContact O-N 3.1Å; N329-L333 PolarHBondContact O-N 3.04Å; N329-L333 VanDerWaalsContact O-N 3.11Å |
| 330 | L | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.8 | -173.7 | 62.3 | 0 | 0 | 0 | 111.3 | E302 C305 K306 L309 Q326 L327 L332 L333 C334 Y346 | E302-L330 HydrophobicContact CG-CD1 4.26Å; C305-L330 HydrophobicContact CB-CD1 3.91Å; K306-L330 HydrophobicContact CG-CD1 4.06Å; K306-L330 HydrophobicContact CG-CD2 4.1Å; L309-L330 HydrophobicContact CD2-CD2 4.13Å; Q326-L330 PolarHBondContact O-N 3.44Å; L327-L330 PolarHBondContact O-N 3.19Å; L330-L332 VanDerWaalsContact C-N 3.32Å; L330-L332 PolarHBondContact O-N 3.31Å; L330-L333 WeakPolarHBondContact O-CB 3.09Å; L330-L333 PolarHBondContact O-N 3.19Å; L330-L333 VanDerWaalsContact O-N 3.13Å; L330-C334 PolarHBondContact O-N 3.01Å; L330-C334 PolarHBondContact O-SG 3.41Å; L330-Y346 HydrophobicContact CD2-CD1 4.04Å; L330-Y346 HydrophobicContact CD2-CD2 4.17Å; L330-Y346 HydrophobicContact CD2-CE1 3.57Å; L330-Y346 HydrophobicContact CD2-CE2 3.75Å; L330-Y346 HydrophobicContact CD2-CG 4.33Å; L330-Y346 VanDerWaalsContact CD2-CZ 3.43Å; L330-Y346 HydrophobicContact CG-CD2 4.06Å; L330-Y346 HydrophobicContact CG-CE1 4.48Å; L330-Y346 HydrophobicContact CG-CE2 3.81Å |
| 331 | A | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L327 L333 C334 Q335 V343 Y347 | L327-A331 WeakPolarHBondContact O-CB 3.42Å; L327-A331 PolarHBondContact O-N 3.08Å; A331-L333 VanDerWaalsContact C-N 3.33Å; A331-L333 PolarHBondContact O-N 3.04Å; A331-C334 PolarHBondContact O-N 3.47Å; A331-Q335 VanDerWaalsContact O-CB 3.31Å; A331-Q335 WeakPolarHBondContact O-CB 3.49Å; A331-Q335 PolarHBondContact O-N 3Å; A331-V343 HydrophobicContact CB-CG1 4.35Å; A331-V343 WeakPolarHBondContact O-CG2 3.46Å; A331-Y347 HydrophobicContact CB-CD1 3.79Å; A331-Y347 HydrophobicContact CB-CD2 3.79Å; A331-Y347 HydrophobicContact CB-CE1 3.59Å; A331-Y347 HydrophobicContact CB-CE2 3.6Å; A331-Y347 HydrophobicContact CB-CG 3.86Å; A331-Y347 VanDerWaalsContact CB-CZ 3.47Å |
| 332 | L | 88.8 | Confident | 89.6 | Confident | 83 Ų | 83 | 41 Ų | 41 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.2 | -174 | 64.9 | 0 | 0 | 0 | 112.5 | S328 N329 L330 Q335 N336 | S328-L332 PolarHBondContact O-N 2.97Å; S328-L332 VanDerWaalsContact O-N 3.14Å; N329-L332 PolarHBondContact O-N 3.1Å; L330-L332 VanDerWaalsContact C-N 3.32Å; L330-L332 PolarHBondContact O-N 3.31Å; L332-Q335 PolarHBondContact O-N 2.89Å; L332-N336 PolarHBondContact O-N 3.22Å; L332-N336 PolarHBondContact O-ND2 3.46Å |
| 333 | L | 89.3 | Confident | 89.8 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -47 | 175.2 | -71.7 | 173.6 | 0 | 0 | 0 | 111.6 | A289 Y298 A301 C305 N329 L330 A331 Q335 N336 Q337 | A289-L333 HydrophobicContact CB-CD1 4.38Å; Y298-L333 HydrophobicContact CD1-CD2 3.94Å; A301-L333 HydrophobicContact CB-CD1 3.91Å; A301-L333 HydrophobicContact CB-CD2 3.81Å; C305-L333 HydrophobicContact CB-CD1 3.77Å; N329-L333 PolarHBondContact O-N 3.04Å; N329-L333 VanDerWaalsContact O-N 3.11Å; L330-L333 WeakPolarHBondContact O-CB 3.09Å; L330-L333 PolarHBondContact O-N 3.19Å; L330-L333 VanDerWaalsContact O-N 3.13Å; A331-L333 VanDerWaalsContact C-N 3.33Å; A331-L333 PolarHBondContact O-N 3.04Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.3Å; L333-N336 PolarHBondContact O-N 3.05Å; L333-Q337 WeakPolarHBondContact O-CG 3.24Å; L333-Q337 PolarHBondContact O-N 3.48Å |
| 334 | C | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -33.4 | 176.8 | -67 | 0 | 0 | 0 | 0 | 111.8 | L330 A331 N336 Q337 G338 K339 E342 V343 | L330-C334 PolarHBondContact O-N 3.01Å; L330-C334 PolarHBondContact O-SG 3.41Å; A331-C334 PolarHBondContact O-N 3.47Å; C334-N336 VanDerWaalsContact C-N 3.35Å; C334-N336 PolarHBondContact O-N 3.36Å; C334-Q337 CarbonylContact O-C 3.4Å; C334-Q337 WeakPolarHBondContact O-CB 3.35Å; C334-Q337 PolarHBondContact O-N 2.86Å; C334-Q337 VanDerWaalsContact O-N 3.11Å; C334-G338 PolarHBondContact O-N 2.85Å; C334-K339 HydrophobicContact CB-CB 4.25Å; C334-K339 PolarHBondContact O-N 2.93Å; C334-K339 VanDerWaalsContact O-N 3.09Å; C334-E342 HydrophobicContact CB-CB 4.38Å; C334-E342 PolarHBondContact SG-OE2 3.36Å; C334-V343 HydrophobicContact CB-CG2 3.66Å |
| 335 | Q | 87.9 | Confident | 89.8 | Confident | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.5 | -166.8 | -175.1 | 35 | 0 | 0 | 111.9 | A331 L332 L333 Q337 G338 V343 K378 | A331-Q335 VanDerWaalsContact O-CB 3.31Å; A331-Q335 WeakPolarHBondContact O-CB 3.49Å; A331-Q335 PolarHBondContact O-N 3Å; L332-Q335 PolarHBondContact O-N 2.89Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.19Å; Q335-G338 PolarHBondContact O-N 3.26Å; Q335-V343 VanDerWaalsContact CA-CG2 3.5Å; Q335-V343 HydrophobicContact CB-CG1 4.19Å; Q335-V343 HydrophobicContact CB-CG2 3.81Å; Q335-V343 HydrophobicContact CG-CG1 4.47Å; Q335-K378 VanDerWaalsContact CD-NZ 3.26Å; Q335-K378 HydrophobicContact CG-CD 4.35Å |
| 336 | N | 87.2 | Confident | 90 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.1 | -19.7 | 175.8 | -66.4 | -32.8 | 0 | 0 | 0 | 112.8 | Y298 L332 L333 C334 | Y298-N336 HydrophobicContact CD1-CB 3.83Å; Y298-N336 HydrophobicContact CD2-CB 3.98Å; Y298-N336 HydrophobicContact CE1-CB 3.62Å; Y298-N336 WeakPolarHBondContact CE1-ND2 3.46Å; Y298-N336 HydrophobicContact CE2-CB 3.77Å; Y298-N336 HydrophobicContact CG-CB 4.01Å; L332-N336 PolarHBondContact O-N 3.22Å; L332-N336 PolarHBondContact O-ND2 3.46Å; L333-N336 PolarHBondContact O-N 3.05Å; C334-N336 VanDerWaalsContact C-N 3.35Å; C334-N336 PolarHBondContact O-N 3.36Å |
| 337 | Q | 87.7 | Confident | 90.1 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.4 | 172.6 | -64.7 | -176.9 | 58.5 | 0 | 0 | 113.4 | Y298 E302 L333 C334 Q335 K339 | Y298-Q337 HydrophobicContact CG-CG 4.4Å; E302-Q337 PolarHBondContact OE2-NE2 3.39Å; E302-Q337 PolarHBondContact OE2-OE1 3.19Å; L333-Q337 WeakPolarHBondContact O-CG 3.24Å; L333-Q337 PolarHBondContact O-N 3.48Å; C334-Q337 CarbonylContact O-C 3.4Å; C334-Q337 WeakPolarHBondContact O-CB 3.35Å; C334-Q337 PolarHBondContact O-N 2.86Å; C334-Q337 VanDerWaalsContact O-N 3.11Å; Q335-Q337 PolarHBondContact O-N 3.19Å; Q337-K339 VanDerWaalsContact C-N 3.34Å; Q337-K339 HydrophobicContact CB-CD 4.46Å; Q337-K339 HydrophobicContact CB-CG 4.2Å |
| 338 | G | 86.5 | Confident | 90.1 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 65% | 0.649 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 10.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | C334 Q335 A340 | C334-G338 PolarHBondContact O-N 2.85Å; Q335-G338 PolarHBondContact O-N 3.26Å; G338-A340 VanDerWaalsContact C-N 3.34Å; G338-A340 PolarHBondContact O-N 2.96Å |
| 339 | K | 90.4 | Very high | 90.2 | Very high | 66 Ų | 66 | 50 Ų | 50 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | trans | -80.8 | 75.1 | 178.5 | -63 | 178.6 | 176.6 | -177.3 | 0 | 111.1 | E302 C334 Q337 E341 E342 V343 | E302-K339 VanDerWaalsContact CD-NZ 3.35Å; E302-K339 IonicContact OE1-NZ 3.83Å; E302-K339 PolarHBondContact OE1-NZ 2.71Å; E302-K339 VanDerWaalsContact OE1-NZ 3.13Å; E302-K339 IonicContact OE2-NZ 3Å; E302-K339 PolarHBondContact OE2-NZ 3.4Å; C334-K339 HydrophobicContact CB-CB 4.25Å; C334-K339 PolarHBondContact O-N 2.93Å; C334-K339 VanDerWaalsContact O-N 3.09Å; Q337-K339 VanDerWaalsContact C-N 3.34Å; Q337-K339 HydrophobicContact CB-CD 4.46Å; Q337-K339 HydrophobicContact CB-CG 4.2Å; K339-E341 PolarHBondContact O-N 2.99Å; K339-E342 HydrophobicContact CB-CB 4.36Å; K339-E342 IonicContact NZ-OE1 2.83Å; K339-E342 PolarHBondContact O-N 2.91Å; K339-V343 WeakPolarHBondContact O-CG2 3.07Å; K339-V343 PolarHBondContact O-N 3.01Å | ||
| 340 | A | 86.5 | Confident | 90.4 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -38.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G338 V343 E344 Q379 | G338-A340 VanDerWaalsContact C-N 3.34Å; G338-A340 PolarHBondContact O-N 2.96Å; A340-V343 WeakPolarHBondContact O-CB 3.29Å; A340-V343 PolarHBondContact O-N 3.12Å; A340-E344 PolarHBondContact O-N 3.46Å; A340-Q379 HydrophobicContact CB-CG 3.77Å; A340-Q379 PolarHBondContact O-NE2 2.69Å |
| 341 | E | 88.2 | Confident | 90.5 | Very high | 168 Ų | 168 | 49 Ų | 49 | 79% | 0.785 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.2 | -44.6 | -178.4 | -65.2 | 172.8 | -178.8 | 0 | 0 | 112.4 | K339 V343 E344 Y345 | K339-E341 PolarHBondContact O-N 2.99Å; E341-V343 VanDerWaalsContact C-N 3.27Å; E341-V343 PolarHBondContact O-N 3.43Å; E341-E344 PolarHBondContact O-N 3Å; E341-Y345 PolarHBondContact O-N 2.99Å |
| 342 | E | 89.9 | Confident | 90.5 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 29% | 0.29 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 176.1 | -71.3 | -172.2 | -159.4 | 0 | 0 | 111.6 | C334 K339 Y345 Y346 | C334-E342 HydrophobicContact CB-CB 4.38Å; C334-E342 PolarHBondContact SG-OE2 3.36Å; K339-E342 HydrophobicContact CB-CB 4.36Å; K339-E342 IonicContact NZ-OE1 2.83Å; K339-E342 PolarHBondContact O-N 2.91Å; E342-Y345 PolarHBondContact O-N 3.23Å; E342-Y346 HydrophobicContact CB-CD2 4.3Å; E342-Y346 HydrophobicContact CB-CE2 3.86Å; E342-Y346 WeakPolarHBondContact O-CD2 3.35Å; E342-Y346 PolarHBondContact O-N 3.35Å |
| 343 | V | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 179.1 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | A331 C334 Q335 K339 A340 E341 Y346 Y347 C375 | A331-V343 HydrophobicContact CB-CG1 4.35Å; A331-V343 WeakPolarHBondContact O-CG2 3.46Å; C334-V343 HydrophobicContact CB-CG2 3.66Å; Q335-V343 VanDerWaalsContact CA-CG2 3.5Å; Q335-V343 HydrophobicContact CB-CG1 4.19Å; Q335-V343 HydrophobicContact CB-CG2 3.81Å; Q335-V343 HydrophobicContact CG-CG1 4.47Å; K339-V343 WeakPolarHBondContact O-CG2 3.07Å; K339-V343 PolarHBondContact O-N 3.01Å; A340-V343 WeakPolarHBondContact O-CB 3.29Å; A340-V343 PolarHBondContact O-N 3.12Å; E341-V343 VanDerWaalsContact C-N 3.27Å; E341-V343 PolarHBondContact O-N 3.43Å; V343-Y346 PolarHBondContact O-N 3.05Å; V343-Y347 HydrophobicContact CG1-CD2 3.54Å; V343-Y347 HydrophobicContact CG1-CE2 3.51Å; V343-Y347 WeakPolarHBondContact O-CB 3.28Å; V343-Y347 WeakPolarHBondContact O-CD2 3.1Å; V343-Y347 PolarHBondContact O-N 3.15Å; V343-C375 HydrophobicContact CG1-CB 3.95Å; V343-C375 WeakPolarHBondContact CG1-SG 3.48Å |
| 344 | E | 90.8 | Very high | 90.9 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.3 | -177.8 | 177 | 143.2 | 0 | 0 | 110.9 | A340 E341 R348 L372 Y376 Q379 K381 | A340-E344 PolarHBondContact O-N 3.46Å; E341-E344 PolarHBondContact O-N 3Å; E344-R348 WeakPolarHBondContact O-CB 3.36Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 3.31Å; E344-R348 IonicContact OE1-CZ 2.72Å; E344-R348 IonicContact OE1-NH1 3.1Å; E344-R348 PolarHBondContact OE1-NH1 3.15Å; E344-R348 IonicContact OE1-NH2 3.24Å; E344-R348 PolarHBondContact OE1-NH2 3.02Å; E344-L372 HydrophobicContact CG-CD1 4.44Å; E344-Y376 HydrophobicContact CG-CE1 3.91Å; E344-Q379 PolarHBondContact OE2-NE2 3.45Å; E344-Q379 PolarHBondContact OE2-OE1 2.87Å; E344-K381 IonicContact OE1-NZ 2.85Å; E344-K381 IonicContact OE2-NZ 3.27Å; E344-K381 PolarHBondContact OE2-NZ 3.18Å |
| 345 | Y | 92.9 | Very high | 90.8 | Very high | 138 Ų | 138 | 52.1 Ų | 52.1 | 54% | 0.541 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.2 | -51.6 | 176.1 | 173.6 | -104.2 | 0 | 0 | 0 | 112.4 | E341 E342 R348 R349 | E341-Y345 PolarHBondContact O-N 2.99Å; E342-Y345 PolarHBondContact O-N 3.23Å; Y345-R348 PolarHBondContact O-N 3.12Å; Y345-R349 WeakPolarHBondContact O-CB 3.31Å; Y345-R349 PolarHBondContact O-N 3.16Å |
| 346 | Y | 94 | Very high | 90.9 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | -177.8 | -65.2 | -48.7 | 0 | 0 | 0 | 112.8 | L327 L330 E342 V343 R349 A350 | L327-Y346 HydrophobicContact CD2-CD1 3.68Å; L327-Y346 HydrophobicContact CD2-CE1 4.42Å; L327-Y346 HydrophobicContact CD2-CG 4.46Å; L330-Y346 HydrophobicContact CD2-CD1 4.04Å; L330-Y346 HydrophobicContact CD2-CD2 4.17Å; L330-Y346 HydrophobicContact CD2-CE1 3.57Å; L330-Y346 HydrophobicContact CD2-CE2 3.75Å; L330-Y346 HydrophobicContact CD2-CG 4.33Å; L330-Y346 VanDerWaalsContact CD2-CZ 3.43Å; L330-Y346 HydrophobicContact CG-CD2 4.06Å; L330-Y346 HydrophobicContact CG-CE1 4.48Å; L330-Y346 HydrophobicContact CG-CE2 3.81Å; E342-Y346 HydrophobicContact CB-CD2 4.3Å; E342-Y346 HydrophobicContact CB-CE2 3.86Å; E342-Y346 WeakPolarHBondContact O-CD2 3.35Å; E342-Y346 PolarHBondContact O-N 3.35Å; V343-Y346 PolarHBondContact O-N 3.05Å; Y346-R349 PolarHBondContact O-N 2.93Å; Y346-A350 WeakPolarHBondContact O-CB 3.28Å; Y346-A350 PolarHBondContact O-N 3.02Å |
| 347 | Y | 93.9 | Very high | 91 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.9 | -35.7 | 177.2 | -80.6 | -45.8 | 0 | 0 | 0 | 112.9 | A331 V343 A350 L351 T368 N371 | A331-Y347 HydrophobicContact CB-CD1 3.79Å; A331-Y347 HydrophobicContact CB-CD2 3.79Å; A331-Y347 HydrophobicContact CB-CE1 3.59Å; A331-Y347 HydrophobicContact CB-CE2 3.6Å; A331-Y347 HydrophobicContact CB-CG 3.86Å; A331-Y347 VanDerWaalsContact CB-CZ 3.47Å; V343-Y347 HydrophobicContact CG1-CD2 3.54Å; V343-Y347 HydrophobicContact CG1-CE2 3.51Å; V343-Y347 WeakPolarHBondContact O-CB 3.28Å; V343-Y347 WeakPolarHBondContact O-CD2 3.1Å; V343-Y347 PolarHBondContact O-N 3.15Å; Y347-A350 PolarHBondContact O-N 3.09Å; Y347-L351 VanDerWaalsContact O-CB 3.26Å; Y347-L351 WeakPolarHBondContact O-CB 3.31Å; Y347-L351 PolarHBondContact O-N 3.34Å; Y347-T368 HydrophobicContact CD1-CG2 4.07Å; Y347-N371 HydrophobicContact CD1-CB 4.29Å; Y347-N371 HydrophobicContact CE1-CB 3.68Å; Y347-N371 HydrophobicContact CE2-CB 3.94Å |
| 348 | R | 92.8 | Very high | 90.9 | Very high | 120 Ų | 120 | 60.7 Ų | 60.7 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 172.2 | -80.6 | -173.2 | -177.9 | 138.5 | 7.1 | 111.3 | E344 Y345 A350 L351 E352 L372 Y376 | E344-R348 WeakPolarHBondContact O-CB 3.36Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 3.31Å; E344-R348 IonicContact OE1-CZ 2.72Å; E344-R348 IonicContact OE1-NH1 3.1Å; E344-R348 PolarHBondContact OE1-NH1 3.15Å; E344-R348 IonicContact OE1-NH2 3.24Å; E344-R348 PolarHBondContact OE1-NH2 3.02Å; Y345-R348 PolarHBondContact O-N 3.12Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 3.36Å; R348-L351 WeakPolarHBondContact O-CB 3.35Å; R348-L351 PolarHBondContact O-N 3.29Å; R348-E352 PolarHBondContact O-N 3.48Å; R348-L372 HydrophobicContact CG-CD2 4.32Å; R348-Y376 PolarHBondContact NH2-OH 3.42Å |
| 349 | R | 94 | Very high | 90.9 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 177.5 | -168.2 | 177.9 | 173.3 | -147.3 | -10.8 | 112 | E313 L327 Y345 Y346 I353 | E313-R349 IonicContact OE1-CZ 2.78Å; E313-R349 IonicContact OE1-NH1 2.62Å; E313-R349 PolarHBondContact OE1-NH1 3.25Å; E313-R349 IonicContact OE1-NH2 2.97Å; E313-R349 PolarHBondContact OE1-NH2 2.93Å; L327-R349 HydrophobicContact CD1-CB 4.15Å; L327-R349 HydrophobicContact CD1-CG 3.81Å; Y345-R349 WeakPolarHBondContact O-CB 3.31Å; Y345-R349 PolarHBondContact O-N 3.16Å; Y346-R349 PolarHBondContact O-N 2.93Å; R349-I353 HydrophobicContact CG-CD1 4.48Å; R349-I353 VanDerWaalsContact O-CG1 3.29Å; R349-I353 WeakPolarHBondContact O-CG1 3.47Å; R349-I353 PolarHBondContact O-N 3.37Å |
| 350 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A324 L327 Y346 Y347 R348 I353 Y354 T368 | A324-A350 HydrophobicContact CB-CB 4.17Å; L327-A350 HydrophobicContact CB-CB 4.02Å; Y346-A350 WeakPolarHBondContact O-CB 3.28Å; Y346-A350 PolarHBondContact O-N 3.02Å; Y347-A350 PolarHBondContact O-N 3.09Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 3.36Å; A350-I353 PolarHBondContact O-N 3.01Å; A350-Y354 HydrophobicContact CB-CE2 4.46Å; A350-Y354 WeakPolarHBondContact O-CD2 3.38Å; A350-Y354 PolarHBondContact O-N 3.41Å; A350-T368 HydrophobicContact CB-CG2 4.09Å |
| 351 | L | 92.9 | Very high | 90.3 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 178.5 | -178.4 | 62.8 | 0 | 0 | 0 | 111.7 | Y347 R348 I353 Y354 A355 V365 T368 K369 L372 | Y347-L351 VanDerWaalsContact O-CB 3.26Å; Y347-L351 WeakPolarHBondContact O-CB 3.31Å; Y347-L351 PolarHBondContact O-N 3.34Å; R348-L351 WeakPolarHBondContact O-CB 3.35Å; R348-L351 PolarHBondContact O-N 3.29Å; L351-I353 VanDerWaalsContact C-N 3.35Å; L351-I353 PolarHBondContact O-N 2.84Å; L351-Y354 PolarHBondContact O-N 2.9Å; L351-A355 WeakPolarHBondContact O-CB 3.28Å; L351-A355 PolarHBondContact O-N 3.05Å; L351-V365 HydrophobicContact CD1-CG1 3.8Å; L351-T368 HydrophobicContact CB-CG2 4.04Å; L351-K369 HydrophobicContact CD1-CD 4.4Å; L351-K369 HydrophobicContact CD1-CG 3.58Å; L351-K369 HydrophobicContact CD2-CG 3.94Å; L351-K369 HydrophobicContact CG-CG 4.44Å; L351-L372 HydrophobicContact CD2-CD2 4.43Å |
| 352 | E | 92.4 | Very high | 90.2 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 175.6 | -176.5 | -175 | 177.3 | 0 | 0 | 111.2 | R348 T356 | R348-E352 PolarHBondContact O-N 3.48Å; E352-T356 WeakPolarHBondContact O-CB 3.38Å; E352-T356 VanDerWaalsContact O-CG2 3.27Å; E352-T356 WeakPolarHBondContact O-CG2 3.4Å; E352-T356 PolarHBondContact O-N 3.15Å; E352-T356 PolarHBondContact O-OG1 2.86Å |
| 353 | I | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 178.4 | -64 | 166.9 | 0 | 0 | 0 | 111 | K318 F319 V323 A324 L327 R349 A350 L351 T356 R357 | K318-I353 WeakPolarHBondContact O-CD1 3.38Å; F319-I353 HydrophobicContact CD1-CG1 4.2Å; F319-I353 WeakPolarHBondContact O-CG2 3.22Å; V323-I353 HydrophobicContact CG1-CD1 4.2Å; A324-I353 HydrophobicContact CB-CB 3.84Å; A324-I353 HydrophobicContact CB-CD1 4.22Å; A324-I353 HydrophobicContact CB-CG2 3.74Å; L327-I353 HydrophobicContact CD1-CD1 3.83Å; R349-I353 HydrophobicContact CG-CD1 4.48Å; R349-I353 VanDerWaalsContact O-CG1 3.29Å; R349-I353 WeakPolarHBondContact O-CG1 3.47Å; R349-I353 PolarHBondContact O-N 3.37Å; A350-I353 PolarHBondContact O-N 3.01Å; L351-I353 VanDerWaalsContact C-N 3.35Å; L351-I353 PolarHBondContact O-N 2.84Å; I353-T356 PolarHBondContact O-OG1 2.97Å; I353-R357 HydrophobicContact CG2-CG 4.33Å; I353-R357 VanDerWaalsContact O-CB 3.29Å; I353-R357 WeakPolarHBondContact O-CB 3.39Å; I353-R357 WeakPolarHBondContact O-CG 3.43Å; I353-R357 PolarHBondContact O-N 2.83Å |
| 354 | Y | 92.1 | Very high | 89.9 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | -179.5 | -71.9 | -45.6 | 0 | 0 | 0 | 112.3 | P321 A324 K325 A350 L351 L358 G359 N364 T368 | P321-Y354 HydrophobicContact CB-CE1 4.46Å; A324-Y354 HydrophobicContact CB-CD1 3.78Å; A324-Y354 HydrophobicContact CB-CD2 3.92Å; A324-Y354 HydrophobicContact CB-CE1 3.52Å; A324-Y354 HydrophobicContact CB-CE2 3.65Å; A324-Y354 HydrophobicContact CB-CG 4Å; A324-Y354 VanDerWaalsContact CB-CZ 3.46Å; K325-Y354 WeakPolarHBondContact CA-OH 3.48Å; K325-Y354 WeakPolarHBondContact CB-OH 3.49Å; K325-Y354 PolarHBondContact N-OH 3.27Å; A350-Y354 HydrophobicContact CB-CE2 4.46Å; A350-Y354 WeakPolarHBondContact O-CD2 3.38Å; A350-Y354 PolarHBondContact O-N 3.41Å; L351-Y354 PolarHBondContact O-N 2.9Å; Y354-L358 HydrophobicContact CD1-CD1 3.44Å; Y354-L358 VanDerWaalsContact CD1-CD1 3.44Å; Y354-L358 HydrophobicContact CE1-CD1 4.14Å; Y354-L358 HydrophobicContact CG-CD1 4.39Å; Y354-L358 PolarHBondContact O-N 2.84Å; Y354-G359 PolarHBondContact O-N 3.39Å; Y354-N364 HydrophobicContact CD1-CB 4.11Å; Y354-N364 HydrophobicContact CD2-CB 4.17Å; Y354-N364 HydrophobicContact CE1-CB 3.99Å; Y354-N364 HydrophobicContact CE2-CB 4.07Å; Y354-N364 HydrophobicContact CG-CB 4.18Å; Y354-T368 WeakPolarHBondContact CD2-OG1 3.38Å; Y354-T368 WeakPolarHBondContact CE2-OG1 3.38Å |
| 355 | A | 89.1 | Confident | 89.8 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L351 G359 | L351-A355 WeakPolarHBondContact O-CB 3.28Å; L351-A355 PolarHBondContact O-N 3.05Å; A355-G359 WeakPolarHBondContact O-CA 3.31Å; A355-G359 PolarHBondContact O-N 3Å |
| 356 | T | 89.3 | Confident | 89.7 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -77.4 | -35.2 | -179.6 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | E352 I353 | E352-T356 WeakPolarHBondContact O-CB 3.38Å; E352-T356 VanDerWaalsContact O-CG2 3.27Å; E352-T356 WeakPolarHBondContact O-CG2 3.4Å; E352-T356 PolarHBondContact O-N 3.15Å; E352-T356 PolarHBondContact O-OG1 2.86Å; I353-T356 PolarHBondContact O-OG1 2.97Å |
| 357 | R | 90.1 | Very high | 89.5 | Confident | 161 Ų | 161 | 56.7 Ų | 56.7 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -95.5 | -40.1 | -172.5 | -62.7 | -65.7 | -65 | -171.8 | -2.8 | 115.1 | F319 P321 I353 | F319-R357 VanDerWaalsContact O-CG 3.25Å; F319-R357 WeakPolarHBondContact O-CG 3.39Å; P321-R357 HydrophobicContact CG-CB 4.3Å; I353-R357 HydrophobicContact CG2-CG 4.33Å; I353-R357 VanDerWaalsContact O-CB 3.29Å; I353-R357 WeakPolarHBondContact O-CB 3.39Å; I353-R357 WeakPolarHBondContact O-CG 3.43Å; I353-R357 PolarHBondContact O-N 2.83Å |
| 358 | L | 85.4 | Confident | 89.4 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -13.3 | -177.7 | -66 | 125.2 | 0 | 0 | 0 | 112.4 | P321 Y354 D362 | P321-L358 HydrophobicContact CB-CD1 3.99Å; P321-L358 HydrophobicContact CG-CD1 3.93Å; P321-L358 HydrophobicContact CG-CG 4.38Å; Y354-L358 HydrophobicContact CD1-CD1 3.44Å; Y354-L358 VanDerWaalsContact CD1-CD1 3.44Å; Y354-L358 HydrophobicContact CE1-CD1 4.14Å; Y354-L358 HydrophobicContact CG-CD1 4.39Å; Y354-L358 PolarHBondContact O-N 2.84Å; L358-D362 HydrophobicContact CB-CB 3.73Å |
| 359 | G | 85.3 | Confident | 89.4 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | trans | 87.4 | 167.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y354 A355 D361 D362 V365 | Y354-G359 PolarHBondContact O-N 3.39Å; A355-G359 WeakPolarHBondContact O-CA 3.31Å; A355-G359 PolarHBondContact O-N 3Å; G359-D361 VanDerWaalsContact C-N 3.27Å; G359-D361 PolarHBondContact O-N 3.34Å; G359-D362 PolarHBondContact O-N 3.34Å; G359-V365 WeakPolarHBondContact O-CG2 3.45Å | ||
| 360 | P | 82.2 | Confident | 89.4 | Confident | 79 Ų | 79 | 51.1 Ų | 51.1 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.7 | -171.4 | 28.3 | -35.6 | 0 | 0 | 0 | 114.6 | ||
| 361 | D | 82.1 | Confident | 89.3 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.4 | 178.3 | -90.8 | -44.9 | 0 | 0 | 0 | 114.4 | G359 R395 | G359-D361 VanDerWaalsContact C-N 3.27Å; G359-D361 PolarHBondContact O-N 3.34Å; D361-R395 VanDerWaalsContact CG-CZ 3.4Å; D361-R395 IonicContact OD1-CZ 2.75Å; D361-R395 IonicContact OD1-NH1 2.88Å; D361-R395 PolarHBondContact OD1-NH1 2.91Å; D361-R395 IonicContact OD1-NH2 2.68Å; D361-R395 PolarHBondContact OD1-NH2 3.49Å; D361-R395 IonicContact OD2-CZ 2.92Å; D361-R395 IonicContact OD2-NH1 3.34Å; D361-R395 IonicContact OD2-NH2 3.72Å; D361-R395 PolarHBondContact OD2-NH2 2.94Å |
| 362 | D | 86.1 | Confident | 89.3 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | trans | -67.6 | 135.6 | -169.7 | -173.5 | -90 | 0 | 0 | 0 | 111.6 | L358 G359 N364 V365 A366 | L358-D362 HydrophobicContact CB-CB 3.73Å; G359-D362 PolarHBondContact O-N 3.34Å; D362-N364 PolarHBondContact O-N 3.01Å; D362-N364 VanDerWaalsContact O-N 3.09Å; D362-N364 WeakPolarHBondContact OD1-CA 3.48Å; D362-N364 WeakPolarHBondContact OD1-CB 3.44Å; D362-N364 VanDerWaalsContact OD1-CG 3.29Å; D362-N364 PolarHBondContact OD1-N 3.21Å; D362-N364 PolarHBondContact OD1-ND2 3.02Å; D362-V365 HydrophobicContact CB-CG2 4.23Å; D362-V365 WeakPolarHBondContact O-CB 3.39Å; D362-V365 PolarHBondContact O-N 3.45Å; D362-A366 PolarHBondContact O-N 3.38Å | ||
| 363 | P | 86.7 | Confident | 89.3 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.7 | -29.2 | 178.1 | -27 | 35 | 0 | 0 | 0 | 114.2 | A366 K367 | P363-A366 PolarHBondContact O-N 2.92Å; P363-K367 WeakPolarHBondContact O-CB 3.48Å; P363-K367 PolarHBondContact O-N 2.72Å |
| 364 | N | 88.2 | Confident | 89.1 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.1 | -31.4 | 177.9 | -58 | -63.8 | 0 | 0 | 0 | 112.1 | Y354 D362 K367 T368 | Y354-N364 HydrophobicContact CD1-CB 4.11Å; Y354-N364 HydrophobicContact CD2-CB 4.17Å; Y354-N364 HydrophobicContact CE1-CB 3.99Å; Y354-N364 HydrophobicContact CE2-CB 4.07Å; Y354-N364 HydrophobicContact CG-CB 4.18Å; D362-N364 PolarHBondContact O-N 3.01Å; D362-N364 VanDerWaalsContact O-N 3.09Å; D362-N364 WeakPolarHBondContact OD1-CA 3.48Å; D362-N364 WeakPolarHBondContact OD1-CB 3.44Å; D362-N364 VanDerWaalsContact OD1-CG 3.29Å; D362-N364 PolarHBondContact OD1-N 3.21Å; D362-N364 PolarHBondContact OD1-ND2 3.02Å; N364-K367 PolarHBondContact O-N 2.99Å; N364-T368 VanDerWaalsContact O-CB 3.27Å; N364-T368 WeakPolarHBondContact O-CB 3.31Å; N364-T368 PolarHBondContact O-N 3.48Å; N364-T368 PolarHBondContact O-OG1 3.46Å |
| 365 | V | 90.5 | Very high | 89 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -52.5 | 171.6 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | L351 G359 D362 K367 T368 K369 | L351-V365 HydrophobicContact CD1-CG1 3.8Å; G359-V365 WeakPolarHBondContact O-CG2 3.45Å; D362-V365 HydrophobicContact CB-CG2 4.23Å; D362-V365 WeakPolarHBondContact O-CB 3.39Å; D362-V365 PolarHBondContact O-N 3.45Å; V365-K367 VanDerWaalsContact C-N 3.31Å; V365-K367 PolarHBondContact O-N 2.65Å; V365-T368 PolarHBondContact O-N 2.91Å; V365-K369 HydrophobicContact CG1-CD 4.43Å; V365-K369 WeakPolarHBondContact O-CG 3.46Å; V365-K369 PolarHBondContact O-N 2.98Å |
| 366 | A | 89.7 | Confident | 89.2 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D362 P363 N370 I392 T447 | D362-A366 PolarHBondContact O-N 3.38Å; P363-A366 PolarHBondContact O-N 2.92Å; A366-N370 WeakPolarHBondContact O-CB 3.27Å; A366-N370 PolarHBondContact O-N 3.44Å; A366-N370 PolarHBondContact O-ND2 3.35Å; A366-I392 HydrophobicContact CB-CG2 4.24Å; A366-T447 HydrophobicContact CB-CG2 3.92Å |
| 367 | K | 90.5 | Very high | 89.2 | Confident | 118 Ų | 118 | 45.6 Ų | 45.6 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 177.1 | -168.4 | 176.4 | -176 | 179.3 | 0 | 111.9 | P363 N364 V365 N370 N371 T447 | P363-K367 WeakPolarHBondContact O-CB 3.48Å; P363-K367 PolarHBondContact O-N 2.72Å; N364-K367 PolarHBondContact O-N 2.99Å; V365-K367 VanDerWaalsContact C-N 3.31Å; V365-K367 PolarHBondContact O-N 2.65Å; K367-N370 PolarHBondContact O-N 2.82Å; K367-N371 VanDerWaalsContact O-CG 3.25Å; K367-N371 PolarHBondContact O-N 2.76Å; K367-N371 PolarHBondContact O-ND2 3.33Å; K367-T447 HydrophobicContact CB-CG2 4.46Å |
| 368 | T | 91.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.2 | -42.7 | 179.8 | -54.6 | 0 | 0 | 0 | 0 | 111 | Y347 A350 L351 Y354 N364 V365 N370 N371 L372 | Y347-T368 HydrophobicContact CD1-CG2 4.07Å; A350-T368 HydrophobicContact CB-CG2 4.09Å; L351-T368 HydrophobicContact CB-CG2 4.04Å; Y354-T368 WeakPolarHBondContact CD2-OG1 3.38Å; Y354-T368 WeakPolarHBondContact CE2-OG1 3.38Å; N364-T368 VanDerWaalsContact O-CB 3.27Å; N364-T368 WeakPolarHBondContact O-CB 3.31Å; N364-T368 PolarHBondContact O-N 3.48Å; N364-T368 PolarHBondContact O-OG1 3.46Å; V365-T368 PolarHBondContact O-N 2.91Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 3.11Å; T368-N371 PolarHBondContact O-N 3.33Å; T368-L372 WeakPolarHBondContact O-CB 3.39Å; T368-L372 PolarHBondContact O-N 3.49Å |
| 369 | K | 93.3 | Very high | 89.2 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 171.7 | -70.2 | -170.1 | -179.5 | -166.4 | 0 | 112 | L351 V365 L372 A373 L388 E391 I392 | L351-K369 HydrophobicContact CD1-CD 4.4Å; L351-K369 HydrophobicContact CD1-CG 3.58Å; L351-K369 HydrophobicContact CD2-CG 3.94Å; L351-K369 HydrophobicContact CG-CG 4.44Å; V365-K369 HydrophobicContact CG1-CD 4.43Å; V365-K369 WeakPolarHBondContact O-CG 3.46Å; V365-K369 PolarHBondContact O-N 2.98Å; K369-L372 PolarHBondContact O-N 3.29Å; K369-A373 VanDerWaalsContact O-CB 3.32Å; K369-A373 WeakPolarHBondContact O-CB 3.48Å; K369-A373 PolarHBondContact O-N 2.87Å; K369-L388 HydrophobicContact CD-CD2 4.45Å; K369-L388 HydrophobicContact CG-CD2 4.37Å; K369-E391 IonicContact NZ-OE2 2.86Å; K369-E391 PolarHBondContact NZ-OE2 2.84Å; K369-I392 HydrophobicContact CB-CD1 3.6Å; K369-I392 HydrophobicContact CB-CG1 3.79Å; K369-I392 HydrophobicContact CD-CG1 3.96Å |
| 370 | N | 92.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 174.9 | -92.9 | -39.9 | 0 | 0 | 0 | 113.2 | A366 K367 T368 A373 S374 Y389 I392 T447 T451 | A366-N370 WeakPolarHBondContact O-CB 3.27Å; A366-N370 PolarHBondContact O-N 3.44Å; A366-N370 PolarHBondContact O-ND2 3.35Å; K367-N370 PolarHBondContact O-N 2.82Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 3.11Å; N370-A373 PolarHBondContact O-N 3.01Å; N370-S374 WeakPolarHBondContact O-CB 3.4Å; N370-S374 PolarHBondContact O-N 2.87Å; N370-Y389 WeakPolarHBondContact OD1-CD1 3.48Å; N370-Y389 WeakPolarHBondContact OD1-CE1 3.31Å; N370-I392 HydrophobicContact CB-CD1 4.39Å; N370-T447 WeakPolarHBondContact ND2-CG2 3.44Å; N370-T447 PolarHBondContact ND2-O 3.23Å; N370-T447 VanDerWaalsContact ND2-O 3.1Å; N370-T451 PolarHBondContact ND2-OG1 3.01Å; N370-T451 PolarHBondContact OD1-OG1 3.38Å; N370-T451 VanDerWaalsContact OD1-OG1 3.13Å |
| 371 | N | 91.9 | Very high | 89.8 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.3 | -39.2 | 177.3 | -68.7 | -18.1 | 0 | 0 | 0 | 111.8 | Y347 K367 T368 S374 C375 | Y347-N371 HydrophobicContact CD1-CB 4.29Å; Y347-N371 HydrophobicContact CE1-CB 3.68Å; Y347-N371 HydrophobicContact CE2-CB 3.94Å; K367-N371 VanDerWaalsContact O-CG 3.25Å; K367-N371 PolarHBondContact O-N 2.76Å; K367-N371 PolarHBondContact O-ND2 3.33Å; T368-N371 PolarHBondContact O-N 3.33Å; N371-S374 WeakPolarHBondContact O-CB 3.27Å; N371-S374 PolarHBondContact O-N 3.29Å; N371-C375 PolarHBondContact O-N 3Å |
| 372 | L | 92.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 174.3 | -178.9 | 60.1 | 0 | 0 | 0 | 111.4 | E344 R348 L351 T368 K369 S374 C375 Y376 L388 | E344-L372 HydrophobicContact CG-CD1 4.44Å; R348-L372 HydrophobicContact CG-CD2 4.32Å; L351-L372 HydrophobicContact CD2-CD2 4.43Å; T368-L372 WeakPolarHBondContact O-CB 3.39Å; T368-L372 PolarHBondContact O-N 3.49Å; K369-L372 PolarHBondContact O-N 3.29Å; L372-S374 VanDerWaalsContact C-N 3.29Å; L372-S374 PolarHBondContact O-N 3.07Å; L372-C375 WeakPolarHBondContact O-CA 3.44Å; L372-C375 WeakPolarHBondContact O-CB 3.44Å; L372-C375 PolarHBondContact O-N 3.46Å; L372-Y376 HydrophobicContact CD1-CE1 4.19Å; L372-Y376 HydrophobicContact CD1-CE2 4.29Å; L372-Y376 HydrophobicContact CD2-CE2 4.32Å; L372-Y376 HydrophobicContact CG-CD2 4.43Å; L372-Y376 HydrophobicContact CG-CE2 3.93Å; L372-Y376 PolarHBondContact O-N 3.4Å; L372-L388 HydrophobicContact CB-CD1 4.04Å; L372-L388 HydrophobicContact CD2-CD1 3.76Å; L372-L388 HydrophobicContact CG-CD1 3.7Å |
| 373 | A | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K369 N370 C375 Y376 L377 A385 L388 Y389 | K369-A373 VanDerWaalsContact O-CB 3.32Å; K369-A373 WeakPolarHBondContact O-CB 3.48Å; K369-A373 PolarHBondContact O-N 2.87Å; N370-A373 PolarHBondContact O-N 3.01Å; A373-C375 VanDerWaalsContact C-N 3.27Å; A373-C375 PolarHBondContact O-N 3.48Å; A373-Y376 PolarHBondContact O-N 3.29Å; A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 2.96Å; A373-A385 HydrophobicContact CB-CB 4.26Å; A373-L388 HydrophobicContact CB-CB 4.09Å; A373-L388 HydrophobicContact CB-CD1 4.07Å; A373-Y389 HydrophobicContact CB-CD1 3.92Å; A373-Y389 HydrophobicContact CB-CE1 3.37Å; A373-Y389 HydrophobicContact CB-CE2 4.09Å; A373-Y389 VanDerWaalsContact CB-CZ 3.46Å |
| 374 | S | 89.9 | Confident | 90.7 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.8 | -33.3 | 172.7 | -175.4 | 0 | 0 | 0 | 0 | 113 | N370 N371 L372 K378 | N370-S374 WeakPolarHBondContact O-CB 3.4Å; N370-S374 PolarHBondContact O-N 2.87Å; N371-S374 WeakPolarHBondContact O-CB 3.27Å; N371-S374 PolarHBondContact O-N 3.29Å; L372-S374 VanDerWaalsContact C-N 3.29Å; L372-S374 PolarHBondContact O-N 3.07Å; S374-K378 WeakPolarHBondContact O-CG 3.4Å; S374-K378 PolarHBondContact O-N 3.33Å |
| 375 | C | 90 | Very high | 90.9 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -49 | 171.7 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | V343 N371 L372 A373 L377 K378 Q379 | V343-C375 HydrophobicContact CG1-CB 3.95Å; V343-C375 WeakPolarHBondContact CG1-SG 3.48Å; N371-C375 PolarHBondContact O-N 3Å; L372-C375 WeakPolarHBondContact O-CA 3.44Å; L372-C375 WeakPolarHBondContact O-CB 3.44Å; L372-C375 PolarHBondContact O-N 3.46Å; A373-C375 VanDerWaalsContact C-N 3.27Å; A373-C375 PolarHBondContact O-N 3.48Å; C375-L377 VanDerWaalsContact C-N 3.32Å; C375-L377 PolarHBondContact O-N 3.12Å; C375-K378 WeakPolarHBondContact O-CB 3.33Å; C375-K378 PolarHBondContact O-N 3.27Å; C375-Q379 WeakPolarHBondContact O-CG 3.48Å; C375-Q379 PolarHBondContact O-N 3.5Å; C375-Q379 PolarHBondContact SG-NE2 3.06Å |
| 376 | Y | 91.9 | Very high | 91 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 177.2 | -68.4 | -28.4 | 0 | 0 | 0 | 113.2 | E344 R348 L372 A373 K378 Q379 G380 K381 D384 L388 | E344-Y376 HydrophobicContact CG-CE1 3.91Å; R348-Y376 PolarHBondContact NH2-OH 3.42Å; L372-Y376 HydrophobicContact CD1-CE1 4.19Å; L372-Y376 HydrophobicContact CD1-CE2 4.29Å; L372-Y376 HydrophobicContact CD2-CE2 4.32Å; L372-Y376 HydrophobicContact CG-CD2 4.43Å; L372-Y376 HydrophobicContact CG-CE2 3.93Å; L372-Y376 PolarHBondContact O-N 3.4Å; A373-Y376 PolarHBondContact O-N 3.29Å; Y376-K378 VanDerWaalsContact C-N 3.27Å; Y376-K378 PolarHBondContact O-N 3.47Å; Y376-Q379 CarbonylContact O-C 3.59Å; Y376-Q379 PolarHBondContact O-N 2.99Å; Y376-Q379 VanDerWaalsContact O-N 3.1Å; Y376-G380 PolarHBondContact O-N 3.26Å; Y376-K381 HydrophobicContact CD1-CB 4.38Å; Y376-K381 HydrophobicContact CD1-CD 3.95Å; Y376-K381 HydrophobicContact CE1-CD 4.31Å; Y376-K381 HydrophobicContact CG-CB 4.38Å; Y376-K381 PolarHBondContact O-N 3.06Å; Y376-D384 HydrophobicContact CD2-CB 3.5Å; Y376-D384 HydrophobicContact CE2-CB 3.64Å; Y376-D384 HydrophobicContact CG-CB 4.03Å; Y376-L388 HydrophobicContact CD2-CD1 3.73Å; Y376-L388 HydrophobicContact CE2-CD1 3.54Å; Y376-L388 HydrophobicContact CE2-CG 4.42Å |
| 377 | L | 89.9 | Confident | 91.2 | Very high | 48 Ų | 48 | 50 Ų | 50 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 173.2 | -71 | -177.2 | 0 | 0 | 0 | 112.7 | A373 C375 G380 Y382 A385 Y389 L458 | A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 2.96Å; C375-L377 VanDerWaalsContact C-N 3.32Å; C375-L377 PolarHBondContact O-N 3.12Å; L377-G380 PolarHBondContact O-N 3.17Å; L377-Y382 HydrophobicContact CD2-CD1 3.77Å; L377-Y382 HydrophobicContact CD2-CE1 4.16Å; L377-A385 HydrophobicContact CD2-CB 3.75Å; L377-A385 HydrophobicContact CG-CB 3.99Å; L377-Y389 HydrophobicContact CD1-CE2 4.3Å; L377-Y389 WeakPolarHBondContact CD1-OH 3.48Å; L377-L458 HydrophobicContact CD2-CD1 4.06Å; L377-L458 HydrophobicContact CD2-CD2 3.44Å; L377-L458 VanDerWaalsContact CD2-CD2 3.44Å; L377-L458 HydrophobicContact CD2-CG 3.92Å |
| 378 | K | 87.6 | Confident | 91.3 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 60% | 0.596 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -73 | -30 | 176.9 | -71 | 178 | -179.6 | 175.9 | 0 | 112.4 | Q335 S374 C375 Y376 G380 | Q335-K378 VanDerWaalsContact CD-NZ 3.26Å; Q335-K378 HydrophobicContact CG-CD 4.35Å; S374-K378 WeakPolarHBondContact O-CG 3.4Å; S374-K378 PolarHBondContact O-N 3.33Å; C375-K378 WeakPolarHBondContact O-CB 3.33Å; C375-K378 PolarHBondContact O-N 3.27Å; Y376-K378 VanDerWaalsContact C-N 3.27Å; Y376-K378 PolarHBondContact O-N 3.47Å; K378-G380 VanDerWaalsContact C-N 3.32Å |
| 379 | Q | 87.6 | Confident | 91.3 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -80 | -11.4 | 175.8 | -65.2 | -178.4 | 28.3 | 0 | 0 | 113.3 | A340 E344 C375 Y376 K381 | A340-Q379 HydrophobicContact CB-CG 3.77Å; A340-Q379 PolarHBondContact O-NE2 2.69Å; E344-Q379 PolarHBondContact OE2-NE2 3.45Å; E344-Q379 PolarHBondContact OE2-OE1 2.87Å; C375-Q379 WeakPolarHBondContact O-CG 3.48Å; C375-Q379 PolarHBondContact O-N 3.5Å; C375-Q379 PolarHBondContact SG-NE2 3.06Å; Y376-Q379 CarbonylContact O-C 3.59Å; Y376-Q379 PolarHBondContact O-N 2.99Å; Y376-Q379 VanDerWaalsContact O-N 3.1Å; Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 HydrophobicContact CB-CD 4.43Å; Q379-K381 HydrophobicContact CB-CG 4.22Å |
| 380 | G | 87.8 | Confident | 91.2 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 6.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y376 L377 K378 Y382 | Y376-G380 PolarHBondContact O-N 3.26Å; L377-G380 PolarHBondContact O-N 3.17Å; K378-G380 VanDerWaalsContact C-N 3.32Å; G380-Y382 VanDerWaalsContact O-CD2 3.23Å; G380-Y382 WeakPolarHBondContact O-CD2 3.34Å; G380-Y382 PolarHBondContact O-N 3.02Å |
| 381 | K | 92.4 | Very high | 91.2 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | trans | -79.8 | 68.2 | 175.1 | -64.3 | 178.9 | -177 | 170.1 | 0 | 110.6 | E344 Y376 Q379 Q383 D384 A385 | E344-K381 IonicContact OE1-NZ 2.85Å; E344-K381 IonicContact OE2-NZ 3.27Å; E344-K381 PolarHBondContact OE2-NZ 3.18Å; Y376-K381 HydrophobicContact CD1-CB 4.38Å; Y376-K381 HydrophobicContact CD1-CD 3.95Å; Y376-K381 HydrophobicContact CE1-CD 4.31Å; Y376-K381 HydrophobicContact CG-CB 4.38Å; Y376-K381 PolarHBondContact O-N 3.06Å; Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 HydrophobicContact CB-CD 4.43Å; Q379-K381 HydrophobicContact CB-CG 4.22Å; K381-Q383 PolarHBondContact O-N 3.38Å; K381-D384 HydrophobicContact CB-CB 4.35Å; K381-A385 PolarHBondContact O-N 2.82Å | ||
| 382 | Y | 91.3 | Very high | 91.1 | Very high | 83 Ų | 83 | 46 Ų | 46 | 33% | 0.325 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.1 | -34.9 | -171.8 | -61 | -62 | 0 | 0 | 0 | 113.7 | L377 G380 A385 E386 L458 R461 | L377-Y382 HydrophobicContact CD2-CD1 3.77Å; L377-Y382 HydrophobicContact CD2-CE1 4.16Å; G380-Y382 VanDerWaalsContact O-CD2 3.23Å; G380-Y382 WeakPolarHBondContact O-CD2 3.34Å; G380-Y382 PolarHBondContact O-N 3.02Å; Y382-A385 PolarHBondContact O-N 2.91Å; Y382-E386 WeakPolarHBondContact O-CB 3.35Å; Y382-E386 PolarHBondContact O-N 3.35Å; Y382-L458 HydrophobicContact CD1-CD2 3.72Å; Y382-L458 HydrophobicContact CG-CD2 4.3Å; Y382-R461 VanDerWaalsContact CZ-NH2 3.27Å; Y382-R461 PolarHBondContact OH-NH2 3.49Å |
| 383 | Q | 91.3 | Very high | 90.8 | Very high | 155 Ų | 155 | 46 Ų | 46 | 72% | 0.724 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.8 | -41.6 | 179.1 | -70 | -179.2 | -16.6 | 0 | 0 | 112.3 | K381 A385 E386 T387 | K381-Q383 PolarHBondContact O-N 3.38Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 3.4Å; Q383-E386 PolarHBondContact O-N 2.87Å; Q383-T387 PolarHBondContact O-N 3.37Å; Q383-T387 PolarHBondContact O-OG1 3.5Å |
| 384 | D | 91.3 | Very high | 90.6 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 39% | 0.39 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 176.7 | -61.1 | -29 | 0 | 0 | 0 | 111.3 | Y376 K381 T387 L388 | Y376-D384 HydrophobicContact CD2-CB 3.5Å; Y376-D384 HydrophobicContact CE2-CB 3.64Å; Y376-D384 HydrophobicContact CG-CB 4.03Å; K381-D384 HydrophobicContact CB-CB 4.35Å; D384-T387 PolarHBondContact O-N 3.45Å; D384-L388 WeakPolarHBondContact O-CG 3.44Å; D384-L388 PolarHBondContact O-N 3.31Å; D384-L388 VanDerWaalsContact O-N 3.14Å |
| 385 | A | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A373 L377 K381 Y382 Q383 L388 Y389 L458 | A373-A385 HydrophobicContact CB-CB 4.26Å; L377-A385 HydrophobicContact CD2-CB 3.75Å; L377-A385 HydrophobicContact CG-CB 3.99Å; K381-A385 PolarHBondContact O-N 2.82Å; Y382-A385 PolarHBondContact O-N 2.91Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 3.4Å; A385-L388 PolarHBondContact O-N 2.98Å; A385-Y389 HydrophobicContact CB-CE2 4.44Å; A385-Y389 WeakPolarHBondContact O-CD2 3.49Å; A385-Y389 PolarHBondContact O-N 3.3Å; A385-L458 HydrophobicContact CB-CD1 4.27Å |
| 386 | E | 92.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 176.3 | -173.1 | -174.8 | 158 | 0 | 0 | 111.3 | Y382 Q383 L388 Y389 K390 L455 L458 Y459 Q462 | Y382-E386 WeakPolarHBondContact O-CB 3.35Å; Y382-E386 PolarHBondContact O-N 3.35Å; Q383-E386 PolarHBondContact O-N 2.87Å; E386-L388 PolarHBondContact O-N 2.88Å; E386-Y389 PolarHBondContact O-N 3.41Å; E386-K390 HydrophobicContact CG-CD 4.22Å; E386-K390 WeakPolarHBondContact O-CG 3.1Å; E386-K390 PolarHBondContact O-N 2.87Å; E386-K390 WeakPolarHBondContact OE1-CE 3.25Å; E386-K390 IonicContact OE1-NZ 3.62Å; E386-K390 PolarHBondContact OE1-NZ 2.91Å; E386-L455 HydrophobicContact CG-CD1 3.82Å; E386-L458 HydrophobicContact CB-CD1 4.19Å; E386-Y459 HydrophobicContact CG-CE1 4.34Å; E386-Q462 PolarHBondContact OE2-NE2 3.36Å |
| 387 | T | 93.8 | Very high | 89.7 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 45% | 0.454 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 178.8 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | Q383 D384 Y389 K390 E391 | Q383-T387 PolarHBondContact O-N 3.37Å; Q383-T387 PolarHBondContact O-OG1 3.5Å; D384-T387 PolarHBondContact O-N 3.45Å; T387-Y389 PolarHBondContact O-N 3.3Å; T387-K390 PolarHBondContact O-N 3.02Å; T387-E391 WeakPolarHBondContact O-CG 3.27Å; T387-E391 PolarHBondContact O-N 3.03Å |
| 388 | L | 93.1 | Very high | 89.5 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 176.6 | -73.3 | 178.7 | 0 | 0 | 0 | 113 | K369 L372 A373 Y376 D384 A385 E386 E391 I392 | K369-L388 HydrophobicContact CD-CD2 4.45Å; K369-L388 HydrophobicContact CG-CD2 4.37Å; L372-L388 HydrophobicContact CB-CD1 4.04Å; L372-L388 HydrophobicContact CD2-CD1 3.76Å; L372-L388 HydrophobicContact CG-CD1 3.7Å; A373-L388 HydrophobicContact CB-CB 4.09Å; A373-L388 HydrophobicContact CB-CD1 4.07Å; Y376-L388 HydrophobicContact CD2-CD1 3.73Å; Y376-L388 HydrophobicContact CE2-CD1 3.54Å; Y376-L388 HydrophobicContact CE2-CG 4.42Å; D384-L388 WeakPolarHBondContact O-CG 3.44Å; D384-L388 PolarHBondContact O-N 3.31Å; D384-L388 VanDerWaalsContact O-N 3.14Å; A385-L388 PolarHBondContact O-N 2.98Å; E386-L388 PolarHBondContact O-N 2.88Å; L388-E391 PolarHBondContact O-N 3.25Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.34Å; L388-I392 PolarHBondContact O-N 3.25Å; L388-I392 VanDerWaalsContact O-N 3.13Å |
| 389 | Y | 92.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.2 | -39.9 | 175.9 | -66.8 | -38.4 | 0 | 0 | 0 | 112 | N370 A373 L377 A385 E386 T387 E391 I392 L393 T451 S454 L455 L458 | N370-Y389 WeakPolarHBondContact OD1-CD1 3.48Å; N370-Y389 WeakPolarHBondContact OD1-CE1 3.31Å; A373-Y389 HydrophobicContact CB-CD1 3.92Å; A373-Y389 HydrophobicContact CB-CE1 3.37Å; A373-Y389 HydrophobicContact CB-CE2 4.09Å; A373-Y389 VanDerWaalsContact CB-CZ 3.46Å; L377-Y389 HydrophobicContact CD1-CE2 4.3Å; L377-Y389 WeakPolarHBondContact CD1-OH 3.48Å; A385-Y389 HydrophobicContact CB-CE2 4.44Å; A385-Y389 WeakPolarHBondContact O-CD2 3.49Å; A385-Y389 PolarHBondContact O-N 3.3Å; E386-Y389 PolarHBondContact O-N 3.41Å; T387-Y389 PolarHBondContact O-N 3.3Å; Y389-E391 VanDerWaalsContact C-N 3.34Å; Y389-E391 PolarHBondContact O-N 2.88Å; Y389-I392 HydrophobicContact CD1-CD1 4.39Å; Y389-I392 PolarHBondContact O-N 3.18Å; Y389-L393 WeakPolarHBondContact O-CG 2.88Å; Y389-L393 PolarHBondContact O-N 3.1Å; Y389-T451 HydrophobicContact CD1-CG2 3.73Å; Y389-T451 HydrophobicContact CG-CG2 4.07Å; Y389-S454 WeakPolarHBondContact OH-CB 3.37Å; Y389-L455 HydrophobicContact CD2-CB 4.36Å; Y389-L458 HydrophobicContact CD2-CD1 3.66Å; Y389-L458 HydrophobicContact CE2-CD1 3.72Å |
| 390 | K | 91.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 173.7 | -74.3 | 178.8 | 169.5 | 178 | 0 | 111.4 | E386 T387 L393 T394 W412 E416 Y459 | E386-K390 HydrophobicContact CG-CD 4.22Å; E386-K390 WeakPolarHBondContact O-CG 3.1Å; E386-K390 PolarHBondContact O-N 2.87Å; E386-K390 WeakPolarHBondContact OE1-CE 3.25Å; E386-K390 IonicContact OE1-NZ 3.62Å; E386-K390 PolarHBondContact OE1-NZ 2.91Å; T387-K390 PolarHBondContact O-N 3.02Å; K390-L393 PolarHBondContact O-N 3.11Å; K390-T394 VanDerWaalsContact O-CB 3.32Å; K390-T394 WeakPolarHBondContact O-CB 3.4Å; K390-T394 PolarHBondContact O-N 2.83Å; K390-T394 PolarHBondContact O-OG1 3.04Å; K390-W412 HydrophobicContact CB-CD2 4.27Å; K390-W412 HydrophobicContact CB-CZ2 4.33Å; K390-W412 HydrophobicContact CD-CD2 4.05Å; K390-W412 HydrophobicContact CD-CE3 3.77Å; K390-W412 HydrophobicContact CD-CH2 4.14Å; K390-W412 HydrophobicContact CD-CZ2 4.4Å; K390-W412 HydrophobicContact CD-CZ3 3.81Å; K390-W412 VanDerWaalsContact CE-CE3 3.42Å; K390-W412 HydrophobicContact CG-CD2 3.76Å; K390-W412 HydrophobicContact CG-CE3 4Å; K390-W412 HydrophobicContact CG-CG 4.07Å; K390-W412 HydrophobicContact CG-CZ2 4.46Å; K390-W412 HydrophobicContact CG-CZ3 4.44Å; K390-E416 IonicContact NZ-OE1 2.91Å; K390-E416 PolarHBondContact NZ-OE1 2.79Å; K390-E416 IonicContact NZ-OE2 3.68Å; K390-E416 PolarHBondContact NZ-OE2 2.89Å; K390-Y459 WeakPolarHBondContact CE-OH 3.49Å; K390-Y459 PolarHBondContact NZ-OH 2.89Å |
| 391 | E | 91 | Very high | 88.1 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.1 | -73.5 | 174.8 | -159.8 | 0 | 0 | 112.6 | K369 T387 L388 Y389 L393 T394 R395 | K369-E391 IonicContact NZ-OE2 2.86Å; K369-E391 PolarHBondContact NZ-OE2 2.84Å; T387-E391 WeakPolarHBondContact O-CG 3.27Å; T387-E391 PolarHBondContact O-N 3.03Å; L388-E391 PolarHBondContact O-N 3.25Å; Y389-E391 VanDerWaalsContact C-N 3.34Å; Y389-E391 PolarHBondContact O-N 2.88Å; E391-L393 PolarHBondContact O-N 3.48Å; E391-T394 PolarHBondContact O-N 3.26Å; E391-R395 VanDerWaalsContact O-CB 3.31Å; E391-R395 WeakPolarHBondContact O-CB 3.35Å; E391-R395 PolarHBondContact O-N 3.49Å |
| 392 | I | 89.7 | Confident | 87.4 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 178 | -65.5 | 165.6 | 0 | 0 | 0 | 110.5 | A366 K369 N370 L388 Y389 R395 A396 T451 | A366-I392 HydrophobicContact CB-CG2 4.24Å; K369-I392 HydrophobicContact CB-CD1 3.6Å; K369-I392 HydrophobicContact CB-CG1 3.79Å; K369-I392 HydrophobicContact CD-CG1 3.96Å; N370-I392 HydrophobicContact CB-CD1 4.39Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.34Å; L388-I392 PolarHBondContact O-N 3.25Å; L388-I392 VanDerWaalsContact O-N 3.13Å; Y389-I392 HydrophobicContact CD1-CD1 4.39Å; Y389-I392 PolarHBondContact O-N 3.18Å; I392-R395 PolarHBondContact O-N 3.41Å; I392-A396 VanDerWaalsContact O-CB 3.29Å; I392-A396 WeakPolarHBondContact O-CB 3.31Å; I392-A396 PolarHBondContact O-N 3.23Å; I392-T451 HydrophobicContact CB-CG2 4Å; I392-T451 HydrophobicContact CD1-CG2 4.26Å; I392-T451 HydrophobicContact CG2-CG2 4.02Å |
| 393 | L | 86.9 | Confident | 87 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.8 | -40.1 | -179 | -67.4 | 179.8 | 0 | 0 | 0 | 112.3 | Y389 K390 E391 R395 A396 H397 W412 V448 T451 L452 L455 L471 | Y389-L393 WeakPolarHBondContact O-CG 2.88Å; Y389-L393 PolarHBondContact O-N 3.1Å; K390-L393 PolarHBondContact O-N 3.11Å; E391-L393 PolarHBondContact O-N 3.48Å; L393-R395 VanDerWaalsContact C-N 3.34Å; L393-A396 PolarHBondContact O-N 3.32Å; L393-H397 VanDerWaalsContact O-CB 3.29Å; L393-H397 WeakPolarHBondContact O-CB 3.47Å; L393-H397 PolarHBondContact O-N 3.41Å; L393-W412 HydrophobicContact CD1-CB 4.18Å; L393-V448 HydrophobicContact CD2-CG1 3.95Å; L393-T451 HydrophobicContact CD1-CG2 4.37Å; L393-T451 HydrophobicContact CD2-CG2 3.89Å; L393-T451 HydrophobicContact CG-CG2 3.77Å; L393-L452 HydrophobicContact CD1-CD2 3.95Å; L393-L452 HydrophobicContact CD2-CD2 3.6Å; L393-L452 HydrophobicContact CD2-CG 3.86Å; L393-L452 HydrophobicContact CG-CD2 4.45Å; L393-L455 HydrophobicContact CD1-CD2 3.52Å; L393-L471 HydrophobicContact CD1-CD2 4.24Å |
| 394 | T | 88.4 | Confident | 86.5 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 17% | 0.172 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | K390 E391 A396 H397 E398 V404 P410 W412 | K390-T394 VanDerWaalsContact O-CB 3.32Å; K390-T394 WeakPolarHBondContact O-CB 3.4Å; K390-T394 PolarHBondContact O-N 2.83Å; K390-T394 PolarHBondContact O-OG1 3.04Å; E391-T394 PolarHBondContact O-N 3.26Å; T394-A396 PolarHBondContact O-N 3.41Å; T394-H397 WeakPolarHBondContact O-CB 3.43Å; T394-H397 PolarHBondContact O-N 2.88Å; T394-E398 WeakPolarHBondContact O-CG 3.4Å; T394-E398 PolarHBondContact O-N 3.33Å; T394-V404 HydrophobicContact CG2-CG2 4.13Å; T394-P410 HydrophobicContact CG2-CG 4Å; T394-W412 PolarHBondContact OG1-NE1 2.89Å |
| 395 | R | 87.1 | Confident | 85.7 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.2 | -37.1 | -179 | -168.3 | 61.3 | -174.6 | 75.3 | -3.4 | 113.3 | D361 E391 I392 L393 H397 E398 K399 | D361-R395 VanDerWaalsContact CG-CZ 3.4Å; D361-R395 IonicContact OD1-CZ 2.75Å; D361-R395 IonicContact OD1-NH1 2.88Å; D361-R395 PolarHBondContact OD1-NH1 2.91Å; D361-R395 IonicContact OD1-NH2 2.68Å; D361-R395 PolarHBondContact OD1-NH2 3.49Å; D361-R395 IonicContact OD2-CZ 2.92Å; D361-R395 IonicContact OD2-NH1 3.34Å; D361-R395 IonicContact OD2-NH2 3.72Å; D361-R395 PolarHBondContact OD2-NH2 2.94Å; E391-R395 VanDerWaalsContact O-CB 3.31Å; E391-R395 WeakPolarHBondContact O-CB 3.35Å; E391-R395 PolarHBondContact O-N 3.49Å; I392-R395 PolarHBondContact O-N 3.41Å; L393-R395 VanDerWaalsContact C-N 3.34Å; R395-H397 VanDerWaalsContact C-N 3.3Å; R395-E398 PolarHBondContact O-N 3.26Å; R395-K399 WeakPolarHBondContact O-CB 3.43Å; R395-K399 PolarHBondContact O-N 3.01Å; R395-K399 VanDerWaalsContact O-N 3.07Å |
| 396 | A | 84.4 | Confident | 84.7 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I392 L393 T394 E400 V443 V448 | I392-A396 VanDerWaalsContact O-CB 3.29Å; I392-A396 WeakPolarHBondContact O-CB 3.31Å; I392-A396 PolarHBondContact O-N 3.23Å; L393-A396 PolarHBondContact O-N 3.32Å; T394-A396 PolarHBondContact O-N 3.41Å; A396-E400 WeakPolarHBondContact O-CG 3.43Å; A396-E400 PolarHBondContact O-N 3.17Å; A396-V443 HydrophobicContact CB-CG1 4.36Å; A396-V448 HydrophobicContact CB-CG1 4.49Å; A396-V448 HydrophobicContact CB-CG2 3.94Å |
| 397 | H | 82 | Confident | 83.5 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 2% | 0.023 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 174.2 | -178.6 | 86.2 | 0 | 0 | 0 | 111.6 | L393 T394 R395 K399 E400 F401 N408 K409 P410 | L393-H397 VanDerWaalsContact O-CB 3.29Å; L393-H397 WeakPolarHBondContact O-CB 3.47Å; L393-H397 PolarHBondContact O-N 3.41Å; T394-H397 WeakPolarHBondContact O-CB 3.43Å; T394-H397 PolarHBondContact O-N 2.88Å; R395-H397 VanDerWaalsContact C-N 3.3Å; H397-K399 VanDerWaalsContact C-N 3.25Å; H397-K399 PolarHBondContact O-N 3.31Å; H397-E400 PolarHBondContact O-N 2.98Å; H397-E400 VanDerWaalsContact O-N 3.13Å; H397-F401 AromaticContact CE1-CD2 3.69Å; H397-F401 AromaticContact ND1-CD2 3.49Å; H397-F401 WeakPolarHBondContact ND1-CD2 3.29Å; H397-F401 VanDerWaalsContact O-CD2 3.31Å; H397-F401 WeakPolarHBondContact O-CD2 3.49Å; H397-F401 PolarHBondContact O-N 3.45Å; H397-N408 PolarHBondContact CE1-OD1 2.9Å; H397-N408 VanDerWaalsContact NE2-CG 3.3Å; H397-N408 PolarHBondContact NE2-ND2 2.94Å; H397-N408 PolarHBondContact NE2-O 3.47Å; H397-N408 PolarHBondContact NE2-OD1 3.18Å; H397-K409 PolarHBondContact CE1-O 3.36Å; H397-P410 HydrophobicContact CB-CB 4.16Å; H397-P410 HydrophobicContact CB-CG 4.49Å |
| 398 | E | 84.9 | Confident | 82.6 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 179.2 | -74.7 | 175.7 | 163.4 | 0 | 0 | 113.3 | T394 R395 E400 G402 V404 | T394-E398 WeakPolarHBondContact O-CG 3.4Å; T394-E398 PolarHBondContact O-N 3.33Å; R395-E398 PolarHBondContact O-N 3.26Å; E398-E400 VanDerWaalsContact C-N 3.32Å; E398-E400 PolarHBondContact O-N 2.99Å; E398-G402 VanDerWaalsContact CA-O 3.31Å; E398-G402 WeakPolarHBondContact CA-O 3.11Å; E398-G402 VanDerWaalsContact O-CA 3.25Å; E398-G402 WeakPolarHBondContact O-CA 3.45Å; E398-G402 PolarHBondContact O-N 2.86Å; E398-V404 HydrophobicContact CG-CG2 3.93Å |
| 399 | K | 82.4 | Confident | 82 | Confident | 124 Ų | 124 | 53.8 Ų | 53.8 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 176.7 | -174.1 | -174.4 | 174.2 | -173 | 0 | 112.4 | R395 H397 | R395-K399 WeakPolarHBondContact O-CB 3.43Å; R395-K399 PolarHBondContact O-N 3.01Å; R395-K399 VanDerWaalsContact O-N 3.07Å; H397-K399 VanDerWaalsContact C-N 3.25Å; H397-K399 PolarHBondContact O-N 3.31Å |
| 400 | E | 77.1 | Confident | 81.6 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -95.5 | -29.8 | -171.9 | -63.6 | -67.2 | 147.4 | 0 | 0 | 112.8 | A396 H397 E398 V443 | A396-E400 WeakPolarHBondContact O-CG 3.43Å; A396-E400 PolarHBondContact O-N 3.17Å; H397-E400 PolarHBondContact O-N 2.98Å; H397-E400 VanDerWaalsContact O-N 3.13Å; E398-E400 VanDerWaalsContact C-N 3.32Å; E398-E400 PolarHBondContact O-N 2.99Å; E400-V443 HydrophobicContact CG-CG2 4.14Å |
| 401 | F | 73.9 | Confident | 81.1 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -121.5 | 2.7 | -172.6 | -52.4 | -72.1 | 0 | 0 | 0 | 114.1 | H397 N408 K439 A440 | H397-F401 AromaticContact CE1-CD2 3.69Å; H397-F401 AromaticContact ND1-CD2 3.49Å; H397-F401 WeakPolarHBondContact ND1-CD2 3.29Å; H397-F401 VanDerWaalsContact O-CD2 3.31Å; H397-F401 WeakPolarHBondContact O-CD2 3.49Å; H397-F401 PolarHBondContact O-N 3.45Å; F401-N408 WeakPolarHBondContact CB-OD1 3.17Å; F401-N408 PolarHBondContact O-ND2 3.41Å; F401-K439 HydrophobicContact CE1-CB 4.13Å; F401-K439 WeakPolarHBondContact CE1-O 3.49Å; F401-K439 VanDerWaalsContact CZ-C 3.49Å; F401-K439 WeakPolarHBondContact CZ-O 3.46Å; F401-A440 HydrophobicContact CD2-CB 4.29Å; F401-A440 HydrophobicContact CE2-CB 3.98Å; F401-A440 HydrophobicContact CZ-CB 4.34Å |
| 402 | G | 78.8 | Confident | 80.8 | Confident | 37 Ų | 37 | 51 Ų | 51 | 38% | 0.381 | 28% | 0.282 | S | S | . | . | trans | 74.4 | -166.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | E398 N408 | E398-G402 VanDerWaalsContact CA-O 3.31Å; E398-G402 WeakPolarHBondContact CA-O 3.11Å; E398-G402 VanDerWaalsContact O-CA 3.25Å; E398-G402 WeakPolarHBondContact O-CA 3.45Å; E398-G402 PolarHBondContact O-N 2.86Å; G402-N408 PolarHBondContact O-ND2 3.29Å | ||
| 403 | S | 81.8 | Confident | 80.6 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -58.6 | 147.2 | -173 | -163.3 | 0 | 0 | 0 | 0 | 113.2 | N405 N408 | S403-N405 PolarHBondContact O-N 2.87Å; S403-N405 PolarHBondContact O-OD1 3.12Å; S403-N408 PolarHBondContact O-ND2 3.5Å |
| 404 | V | 80.4 | Confident | 80.4 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 26% | 0.261 | 30% | 0.302 | S | S | . | . | trans | -72.1 | 111.2 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | T394 E398 N408 P410 M413 | T394-V404 HydrophobicContact CG2-CG2 4.13Å; E398-V404 HydrophobicContact CG-CG2 3.93Å; V404-N408 WeakPolarHBondContact CA-O 3.48Å; V404-P410 HydrophobicContact CG1-CG 4.38Å; V404-P410 HydrophobicContact CG2-CG 3.82Å; V404-M413 HydrophobicContact CG1-CE 3.65Å | ||
| 405 | N | 76.5 | Confident | 80.1 | Confident | 104 Ų | 104 | 54 Ų | 54 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | B | Isolated β-bridge | trans | -118.9 | 173.3 | 178.4 | -65.5 | 4.9 | 0 | 0 | 0 | 110.2 | S403 D407 N408 | S403-N405 PolarHBondContact O-N 2.87Å; S403-N405 PolarHBondContact O-OD1 3.12Å; N405-D407 PolarHBondContact O-N 3.12Å; N405-N408 HydrophobicContact CB-CB 4.46Å; N405-N408 CarbonylContact O-C 3.6Å; N405-N408 PolarHBondContact O-N 3.42Å |
| 406 | G | 69.7 | Low | 80.1 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -32.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | K409 | G406-K409 WeakPolarHBondContact O-CE 3.19Š|
| 407 | D | 67.8 | Low | 80.1 | Confident | 123 Ų | 123 | 55 Ų | 55 | 66% | 0.658 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -12.9 | 177.3 | -59.9 | -43.3 | 0 | 0 | 0 | 113.9 | N405 | N405-D407 PolarHBondContact O-N 3.12Š|
| 408 | N | 75.1 | Confident | 79.8 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -118 | 63.4 | -173.4 | -172.5 | 38.5 | 0 | 0 | 0 | 111 | H397 F401 G402 S403 V404 N405 | H397-N408 PolarHBondContact CE1-OD1 2.9Å; H397-N408 VanDerWaalsContact NE2-CG 3.3Å; H397-N408 PolarHBondContact NE2-ND2 2.94Å; H397-N408 PolarHBondContact NE2-O 3.47Å; H397-N408 PolarHBondContact NE2-OD1 3.18Å; F401-N408 WeakPolarHBondContact CB-OD1 3.17Å; F401-N408 PolarHBondContact O-ND2 3.41Å; G402-N408 PolarHBondContact O-ND2 3.29Å; S403-N408 PolarHBondContact O-ND2 3.5Å; V404-N408 WeakPolarHBondContact CA-O 3.48Å; N405-N408 HydrophobicContact CB-CB 4.46Å; N405-N408 CarbonylContact O-C 3.6Å; N405-N408 PolarHBondContact O-N 3.42Å |
| 409 | K | 81.3 | Confident | 79.7 | Confident | 56 Ų | 56 | 57 Ų | 57 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | trans | -87 | 143.7 | -178.5 | -60.2 | 174.2 | -178.6 | 170.1 | 0 | 111.1 | H397 G406 M413 H414 E417 | H397-K409 PolarHBondContact CE1-O 3.36Å; G406-K409 WeakPolarHBondContact O-CE 3.19Å; K409-M413 HydrophobicContact CB-CB 4.2Å; K409-H414 PolarHBondContact O-CD2 3.48Å; K409-H414 PolarHBondContact O-NE2 3.08Å; K409-E417 WeakPolarHBondContact CD-OE1 3.32Å; K409-E417 WeakPolarHBondContact CE-OE1 3.3Å; K409-E417 IonicContact NZ-OE1 3.85Å; K409-E417 PolarHBondContact NZ-OE1 3.25Å; K409-E417 IonicContact NZ-OE2 2.62Å | ||
| 410 | P | 82.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -61.6 | 156 | 172.2 | -19.5 | 32.8 | 0 | 0 | 0 | 111.9 | T394 H397 V404 W412 M413 H414 | T394-P410 HydrophobicContact CG2-CG 4Å; H397-P410 HydrophobicContact CB-CB 4.16Å; H397-P410 HydrophobicContact CB-CG 4.49Å; V404-P410 HydrophobicContact CG1-CG 4.38Å; V404-P410 HydrophobicContact CG2-CG 3.82Å; P410-W412 PolarHBondContact O-N 2.92Å; P410-W412 VanDerWaalsContact O-N 3.08Å; P410-M413 HydrophobicContact CG-CE 3.85Å; P410-M413 PolarHBondContact O-N 3.43Å; P410-H414 PolarHBondContact O-N 3.15Å | ||
| 411 | I | 81 | Confident | 79.2 | Confident | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.2 | -37.8 | -174.9 | -59.7 | 158.8 | 0 | 0 | 0 | 112.7 | A415 A440 L452 L471 | I411-A415 PolarHBondContact O-N 3.37Å; I411-A415 VanDerWaalsContact O-N 3.15Å; I411-A440 HydrophobicContact CG1-CB 4.11Å; I411-L452 HydrophobicContact CD1-CD2 4.5Å; I411-L452 HydrophobicContact CG2-CD2 4.2Å; I411-L471 HydrophobicContact CG2-CD2 3.99Å |
| 412 | W | 85.2 | Confident | 78.9 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.9 | -31.2 | -178.7 | 67.1 | -93.7 | 0 | 0 | 0 | 113.4 | K390 L393 T394 P410 A415 E416 L455 | K390-W412 HydrophobicContact CB-CD2 4.27Å; K390-W412 HydrophobicContact CB-CZ2 4.33Å; K390-W412 HydrophobicContact CD-CD2 4.05Å; K390-W412 HydrophobicContact CD-CE3 3.77Å; K390-W412 HydrophobicContact CD-CH2 4.14Å; K390-W412 HydrophobicContact CD-CZ2 4.4Å; K390-W412 HydrophobicContact CD-CZ3 3.81Å; K390-W412 VanDerWaalsContact CE-CE3 3.42Å; K390-W412 HydrophobicContact CG-CD2 3.76Å; K390-W412 HydrophobicContact CG-CE3 4Å; K390-W412 HydrophobicContact CG-CG 4.07Å; K390-W412 HydrophobicContact CG-CZ2 4.46Å; K390-W412 HydrophobicContact CG-CZ3 4.44Å; L393-W412 HydrophobicContact CD1-CB 4.18Å; T394-W412 PolarHBondContact OG1-NE1 2.89Å; P410-W412 PolarHBondContact O-N 2.92Å; P410-W412 VanDerWaalsContact O-N 3.08Å; W412-A415 WeakPolarHBondContact O-CB 3.28Å; W412-A415 PolarHBondContact O-N 3.15Å; W412-E416 VanDerWaalsContact CE3-OE2 3.31Å; W412-E416 WeakPolarHBondContact CZ3-OE2 3.48Å; W412-E416 PolarHBondContact O-N 3.33Å; W412-L455 HydrophobicContact CB-CD2 3.87Å |
| 413 | M | 86 | Confident | 77.7 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 175.8 | -77.9 | -155.9 | -100.3 | 0 | 0 | 110.7 | V404 K409 P410 A415 E416 E417 | V404-M413 HydrophobicContact CG1-CE 3.65Å; K409-M413 HydrophobicContact CB-CB 4.2Å; P410-M413 HydrophobicContact CG-CE 3.85Å; P410-M413 PolarHBondContact O-N 3.43Å; M413-A415 VanDerWaalsContact C-N 3.26Å; M413-A415 PolarHBondContact O-N 2.87Å; M413-E416 PolarHBondContact O-N 3.38Å; M413-E417 WeakPolarHBondContact O-CG 3.37Å; M413-E417 PolarHBondContact O-N 2.95Å |
| 414 | H | 82.2 | Confident | 76.5 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 21% | 0.213 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 173.3 | -74.3 | -49.6 | 0 | 0 | 0 | 112.9 | K409 P410 E417 R418 | K409-H414 PolarHBondContact O-CD2 3.48Å; K409-H414 PolarHBondContact O-NE2 3.08Å; P410-H414 PolarHBondContact O-N 3.15Å; H414-E417 IonicContact ND1-OE2 3.26Å; H414-R418 WeakPolarHBondContact O-CB 3.4Å; H414-R418 PolarHBondContact O-N 3Å |
| 415 | A | 82.8 | Confident | 74.9 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I411 W412 M413 R418 E419 A467 T470 L471 | I411-A415 PolarHBondContact O-N 3.37Å; I411-A415 VanDerWaalsContact O-N 3.15Å; W412-A415 WeakPolarHBondContact O-CB 3.28Å; W412-A415 PolarHBondContact O-N 3.15Å; M413-A415 VanDerWaalsContact C-N 3.26Å; M413-A415 PolarHBondContact O-N 2.87Å; A415-R418 PolarHBondContact O-N 3.47Å; A415-E419 PolarHBondContact O-N 3.38Å; A415-A467 HydrophobicContact CB-CB 4.11Å; A415-A467 WeakPolarHBondContact O-CB 3.48Å; A415-T470 VanDerWaalsContact CB-OG1 3.25Å; A415-T470 WeakPolarHBondContact CB-OG1 3.47Å; A415-L471 HydrophobicContact CB-CG 4.22Å |
| 416 | E | 85.7 | Confident | 73.6 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 15% | 0.15 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.4 | -44.4 | 177.8 | -71.1 | -172.6 | 141 | 0 | 0 | 112.4 | K390 W412 M413 R418 E419 E420 Y459 K464 | K390-E416 IonicContact NZ-OE1 2.91Å; K390-E416 PolarHBondContact NZ-OE1 2.79Å; K390-E416 IonicContact NZ-OE2 3.68Å; K390-E416 PolarHBondContact NZ-OE2 2.89Å; W412-E416 VanDerWaalsContact CE3-OE2 3.31Å; W412-E416 WeakPolarHBondContact CZ3-OE2 3.48Å; W412-E416 PolarHBondContact O-N 3.33Å; M413-E416 PolarHBondContact O-N 3.38Å; E416-R418 PolarHBondContact O-N 3.37Å; E416-E419 WeakPolarHBondContact O-CB 3.46Å; E416-E419 PolarHBondContact O-N 2.94Å; E416-E420 PolarHBondContact O-N 3.46Å; E416-Y459 VanDerWaalsContact CD-OH 3.27Å; E416-Y459 HydrophobicContact CG-CE2 4.21Å; E416-Y459 PolarHBondContact OE1-OH 3.46Å; E416-K464 IonicContact OE1-NZ 3.88Å; E416-K464 PolarHBondContact OE1-NZ 3.3Å; E416-K464 VanDerWaalsContact OE1-NZ 3.1Å |
| 417 | E | 84.8 | Confident | 72.1 | Confident | 68 Ų | 68 | 81.8 Ų | 81.8 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.9 | -33.2 | 174.6 | -73.1 | 175.3 | 172 | 0 | 0 | 112.6 | K409 M413 H414 S421 | K409-E417 WeakPolarHBondContact CD-OE1 3.32Å; K409-E417 WeakPolarHBondContact CE-OE1 3.3Å; K409-E417 IonicContact NZ-OE1 3.85Å; K409-E417 PolarHBondContact NZ-OE1 3.25Å; K409-E417 IonicContact NZ-OE2 2.62Å; M413-E417 WeakPolarHBondContact O-CG 3.37Å; M413-E417 PolarHBondContact O-N 2.95Å; H414-E417 IonicContact ND1-OE2 3.26Å; E417-S421 VanDerWaalsContact O-CB 3.3Å; E417-S421 WeakPolarHBondContact O-CB 3.41Å; E417-S421 PolarHBondContact O-N 3.44Å; E417-S421 PolarHBondContact O-OG 3.4Å |
| 418 | R | 76.2 | Confident | 70.6 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.3 | -34.8 | 178 | -166.1 | -178.7 | 173.7 | 149.6 | -7.6 | 112.4 | H414 A415 E416 K422 E466 | H414-R418 WeakPolarHBondContact O-CB 3.4Å; H414-R418 PolarHBondContact O-N 3Å; A415-R418 PolarHBondContact O-N 3.47Å; E416-R418 PolarHBondContact O-N 3.37Å; R418-K422 PolarHBondContact O-N 3.23Å; R418-E466 HydrophobicContact CG-CG 3.76Å; R418-E466 IonicContact CZ-OE1 3.83Å; R418-E466 VanDerWaalsContact CZ-OE1 3.24Å; R418-E466 IonicContact NE-OE1 3.95Å; R418-E466 PolarHBondContact NE-OE1 3.4Å; R418-E466 IonicContact NH2-OE1 2.99Å; R418-E466 PolarHBondContact NH2-OE1 2.94Å |
| 419 | E | 81.8 | Confident | 68.8 | Low | 34 Ų | 34 | 82.8 Ų | 82.8 | 16% | 0.159 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67 | -45.2 | 172.6 | -168.1 | 73.4 | -135.1 | 0 | 0 | 110.6 | A415 E416 S421 K422 K464 L465 E466 A467 | A415-E419 PolarHBondContact O-N 3.38Å; E416-E419 WeakPolarHBondContact O-CB 3.46Å; E416-E419 PolarHBondContact O-N 2.94Å; E419-S421 PolarHBondContact O-N 3.17Å; E419-K422 WeakPolarHBondContact O-CB 3.44Å; E419-K422 PolarHBondContact O-N 3.32Å; E419-K422 VanDerWaalsContact O-N 3.12Å; E419-K422 IonicContact OE1-NZ 3.4Å; E419-K422 PolarHBondContact OE1-NZ 3.34Å; E419-K464 HydrophobicContact CG-CB 4.06Å; E419-K464 HydrophobicContact CG-CG 4.24Å; E419-K464 VanDerWaalsContact OE2-CA 3.32Å; E419-K464 WeakPolarHBondContact OE2-CA 3.47Å; E419-L465 PolarHBondContact OE2-N 2.68Å; E419-L465 VanDerWaalsContact OE2-N 3.11Å; E419-E466 WeakPolarHBondContact OE2-CA 3.31Å; E419-E466 VanDerWaalsContact OE2-CB 3.25Å; E419-E466 WeakPolarHBondContact OE2-CB 3.45Å; E419-E466 PolarHBondContact OE2-N 2.93Å; E419-A467 HydrophobicContact CB-CB 4.29Å; E419-A467 PolarHBondContact OE2-N 2.98Å |
| 420 | E | 79.9 | Confident | 67 | Low | 152 Ų | 152 | 86.4 Ų | 86.4 | 71% | 0.71 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.5 | -30.1 | 178.1 | -67.1 | 177.6 | -180 | 0 | 0 | 112.7 | E416 K422 | E416-E420 PolarHBondContact O-N 3.46Å; E420-K422 VanDerWaalsContact C-N 3.3Å; E420-K422 PolarHBondContact O-N 3.05Å |
| 421 | S | 70 | Confident | 64.9 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.4 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | E417 E419 D423 K424 R425 | E417-S421 VanDerWaalsContact O-CB 3.3Å; E417-S421 WeakPolarHBondContact O-CB 3.41Å; E417-S421 PolarHBondContact O-N 3.44Å; E417-S421 PolarHBondContact O-OG 3.4Å; E419-S421 PolarHBondContact O-N 3.17Å; S421-D423 VanDerWaalsContact C-N 3.34Å; S421-D423 PolarHBondContact O-N 2.84Å; S421-K424 PolarHBondContact O-N 3.01Å; S421-R425 VanDerWaalsContact O-CG 3.28Å; S421-R425 WeakPolarHBondContact O-CG 3.43Å; S421-R425 PolarHBondContact O-N 2.92Å |
| 422 | K | 66.5 | Low | 62.8 | Low | 92 Ų | 92 | 97.9 Ų | 97.9 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36.5 | -174.2 | -175.4 | 178.1 | 172.3 | -174.6 | 0 | 113 | R418 E419 E420 K424 R425 | R418-K422 PolarHBondContact O-N 3.23Å; E419-K422 WeakPolarHBondContact O-CB 3.44Å; E419-K422 PolarHBondContact O-N 3.32Å; E419-K422 VanDerWaalsContact O-N 3.12Å; E419-K422 IonicContact OE1-NZ 3.4Å; E419-K422 PolarHBondContact OE1-NZ 3.34Å; E420-K422 VanDerWaalsContact C-N 3.3Å; E420-K422 PolarHBondContact O-N 3.05Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K422-R425 PolarHBondContact O-N 3.36Å |
| 423 | D | 55.4 | Low | 60.8 | Low | 150 Ų | 150 | 105.5 Ų | 105.5 | 80% | 0.802 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -74.5 | -24.6 | 178.5 | -70.4 | -33.5 | 0 | 0 | 0 | 112.9 | S421 R425 | S421-D423 VanDerWaalsContact C-N 3.34Å; S421-D423 PolarHBondContact O-N 2.84Å; D423-R425 VanDerWaalsContact C-N 3.34Å |
| 424 | K | 56.1 | Low | 58.6 | Low | 179 Ų | 179 | 109.1 Ų | 109.1 | 78% | 0.778 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -81.2 | -12.3 | 172.7 | -68.2 | 179.2 | 179.8 | 173.7 | 0 | 113.4 | S421 K422 | S421-K424 PolarHBondContact O-N 3.01Å; K422-K424 VanDerWaalsContact C-N 3.35Å |
| 425 | R | 47 | Very low | 56.7 | Low | 122 Ų | 122 | 109.2 Ų | 109.2 | 46% | 0.46 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -95.6 | 1.3 | -173.1 | -80.3 | -179.6 | -168.1 | -135.6 | 4.7 | 114.9 | S421 K422 D423 D427 | S421-R425 VanDerWaalsContact O-CG 3.28Å; S421-R425 WeakPolarHBondContact O-CG 3.43Å; S421-R425 PolarHBondContact O-N 2.92Å; K422-R425 PolarHBondContact O-N 3.36Å; D423-R425 VanDerWaalsContact C-N 3.34Å; R425-D427 PolarHBondContact O-N 3.21Å |
| 426 | R | 49.2 | Very low | 54.7 | Low | 233 Ų | 233 | 112 Ų | 112 | 88% | 0.879 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -19.4 | 177.6 | -141.4 | 178.2 | 169.5 | -150.4 | -5.4 | 113 | ||
| 427 | D | 38.4 | Very low | 53 | Low | 154 Ų | 154 | 113.3 Ų | 113.3 | 82% | 0.824 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 17.7 | -175.7 | -73.4 | -33.1 | 0 | 0 | 0 | 115.2 | R425 | R425-D427 PolarHBondContact O-N 3.21Š|
| 428 | S | 35.4 | Very low | 51.1 | Low | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -147.3 | 136.4 | 177.4 | -74.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 429 | A | 37.5 | Very low | 49.7 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 69% | 0.694 | 60% | 0.598 | S | S | * | * | trans | -46.1 | 160.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y431 | A429-Y431 PolarHBondContact O-N 3.5Š| ||
| 430 | P | 43.5 | Very low | 47.9 | Very low | 133 Ų | 133 | 117 Ų | 117 | 86% | 0.864 | 59% | 0.593 | S | S | * | * | trans | -66 | 107.8 | -168.9 | 26 | -29.5 | 0 | 0 | 0 | 110.3 | G432 | P430-G432 PolarHBondContact O-N 2.97Š| ||
| 431 | Y | 39 | Very low | 46.4 | Very low | 205 Ų | 205 | 110.7 Ų | 110.7 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | -60.8 | 134 | -177.5 | -149.8 | -98.9 | 0 | 0 | 0 | 110.6 | A429 | A429-Y431 PolarHBondContact O-N 3.5Š| ||
| 432 | G | 37.1 | Very low | 45.6 | Very low | 55 Ų | 55 | 115.2 Ų | 115.2 | 57% | 0.567 | 58% | 0.58 | S | S | * | * | trans | -53.5 | 155.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P430 Y434 | P430-G432 PolarHBondContact O-N 2.97Å; G432-Y434 PolarHBondContact O-N 3.3Å | ||
| 433 | E | 41.7 | Very low | 45.2 | Very low | 197 Ų | 197 | 111.7 Ų | 111.7 | 92% | 0.921 | 57% | 0.566 | S | S | * | * | trans | -42.2 | 95 | 171.3 | -73.3 | 171.5 | 130.9 | 0 | 0 | 112.2 | G435 | E433-G435 PolarHBondContact O-N 3.47Š| ||
| 434 | Y | 41 | Very low | 45.5 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 51% | 0.51 | 56% | 0.561 | S | S | . | * | trans | -75.3 | 76.5 | 160.3 | -139.9 | -99.1 | 0 | 0 | 0 | 107.4 | G432 S436 | G432-Y434 PolarHBondContact O-N 3.3Å; Y434-S436 PolarHBondContact O-N 3.03Å | ||
| 435 | G | 41 | Very low | 46.4 | Very low | 48 Ų | 48 | 103.9 Ų | 103.9 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 10.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | E433 | E433-G435 PolarHBondContact O-N 3.47Š|
| 436 | S | 41.6 | Very low | 48.1 | Very low | 62 Ų | 62 | 102.7 Ų | 102.7 | 43% | 0.434 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -37.8 | -177.6 | -152.3 | 0 | 0 | 0 | 0 | 113.3 | Y434 Y438 K439 | Y434-S436 PolarHBondContact O-N 3.03Å; S436-Y438 VanDerWaalsContact C-N 3.25Å; S436-Y438 PolarHBondContact O-N 3.41Å; S436-K439 PolarHBondContact O-N 3.43Å |
| 437 | W | 49.3 | Very low | 49.7 | Very low | 58 Ų | 58 | 92.9 Ų | 92.9 | 22% | 0.22 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -70.2 | -22.8 | -179.6 | 75.5 | -94.6 | 0 | 0 | 0 | 113.1 | K439 A440 C441 C474 | W437-K439 PolarHBondContact O-N 3.21Å; W437-A440 WeakPolarHBondContact O-CA 3.38Å; W437-A440 VanDerWaalsContact O-CB 3.26Å; W437-A440 WeakPolarHBondContact O-CB 3.47Å; W437-A440 PolarHBondContact O-N 3.34Å; W437-C441 PolarHBondContact O-N 3.37Å; W437-C474 HydrophobicContact CZ3-CB 4.5Å |
| 438 | Y | 45.8 | Very low | 52 | Low | 115 Ų | 115 | 86 Ų | 86 | 45% | 0.451 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -28.4 | 175.4 | -77.5 | -93.3 | 0 | 0 | 0 | 112.8 | S436 A440 R477 | S436-Y438 VanDerWaalsContact C-N 3.25Å; S436-Y438 PolarHBondContact O-N 3.41Å; Y438-A440 VanDerWaalsContact C-N 3.32Å; Y438-R477 PolarHBondContact OH-NH1 3.09Å |
| 439 | K | 47.3 | Very low | 54.4 | Low | 142 Ų | 142 | 82.4 Ų | 82.4 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.6 | -30.9 | 171.5 | -72.4 | 177.1 | -179.3 | 175 | 0 | 110.9 | F401 S436 W437 C441 K442 | F401-K439 HydrophobicContact CE1-CB 4.13Å; F401-K439 WeakPolarHBondContact CE1-O 3.49Å; F401-K439 VanDerWaalsContact CZ-C 3.49Å; F401-K439 WeakPolarHBondContact CZ-O 3.46Å; S436-K439 PolarHBondContact O-N 3.43Å; W437-K439 PolarHBondContact O-N 3.21Å; K439-C441 PolarHBondContact O-N 3.36Å; K439-K442 PolarHBondContact O-N 3.27Å |
| 440 | A | 43.3 | Very low | 56.9 | Low | 6 Ų | 6 | 80.8 Ų | 80.8 | 5% | 0.05 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.3 | -24.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F401 I411 W437 Y438 K442 | F401-A440 HydrophobicContact CD2-CB 4.29Å; F401-A440 HydrophobicContact CE2-CB 3.98Å; F401-A440 HydrophobicContact CZ-CB 4.34Å; I411-A440 HydrophobicContact CG1-CB 4.11Å; W437-A440 WeakPolarHBondContact O-CA 3.38Å; W437-A440 VanDerWaalsContact O-CB 3.26Å; W437-A440 WeakPolarHBondContact O-CB 3.47Å; W437-A440 PolarHBondContact O-N 3.34Å; Y438-A440 VanDerWaalsContact C-N 3.32Å; A440-K442 VanDerWaalsContact C-N 3.28Å; A440-K442 PolarHBondContact O-N 3.49Å |
| 441 | C | 48.6 | Very low | 59.1 | Low | 20 Ų | 20 | 74.5 Ų | 74.5 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 7.5 | -179.7 | -69.4 | 0 | 0 | 0 | 0 | 114.5 | W437 K439 V443 C474 | W437-C441 PolarHBondContact O-N 3.37Å; K439-C441 PolarHBondContact O-N 3.36Å; C441-V443 PolarHBondContact O-N 3.37Å; C441-V443 VanDerWaalsContact O-N 3.08Å; C441-C474 WeakPolarHBondContact CB-SG 3.23Å; C441-C474 WeakPolarHBondContact SG-CB 3.42Å; C441-C474 CovalentContact SG-SG 2.07Å; C441-C474 PolarHBondContact SG-SG 2.88Å |
| 442 | K | 53.5 | Low | 61.5 | Low | 140 Ų | 140 | 65 Ų | 65 | 61% | 0.609 | 35% | 0.35 | S | S | * | . | trans | -71.2 | 8.7 | 177.8 | -78.1 | -166.8 | 175.3 | -169.5 | 0 | 115.2 | K439 A440 D444 | K439-K442 PolarHBondContact O-N 3.27Å; A440-K442 VanDerWaalsContact C-N 3.28Å; A440-K442 PolarHBondContact O-N 3.49Å; K442-D444 PolarHBondContact O-N 3.19Å | ||
| 443 | V | 56.8 | Low | 64.1 | Low | 18 Ų | 18 | 68.4 Ų | 68.4 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | trans | -81.6 | 91.8 | -176.5 | -163.5 | 0 | 0 | 0 | 0 | 110.6 | A396 E400 C441 S445 V448 N478 | A396-V443 HydrophobicContact CB-CG1 4.36Å; E400-V443 HydrophobicContact CG-CG2 4.14Å; C441-V443 PolarHBondContact O-N 3.37Å; C441-V443 VanDerWaalsContact O-N 3.08Å; V443-S445 PolarHBondContact O-N 2.91Å; V443-V448 HydrophobicContact CB-CG1 4.19Å; V443-V448 HydrophobicContact CG1-CB 4.1Å; V443-V448 HydrophobicContact CG1-CG1 4.11Å; V443-V448 HydrophobicContact CG1-CG2 3.86Å; V443-N478 PolarHBondContact O-ND2 3.38Å | ||
| 444 | D | 61.6 | Low | 66.5 | Low | 130 Ų | 130 | 60.7 Ų | 60.7 | 70% | 0.695 | 31% | 0.314 | S | S | * | . | trans | -73.7 | 32.5 | 178.1 | -68 | -24.6 | 0 | 0 | 0 | 114.1 | K442 N478 | K442-D444 PolarHBondContact O-N 3.19Å; D444-N478 PolarHBondContact OD1-ND2 3.41Å; D444-N478 PolarHBondContact OD1-OD1 2.92Å | ||
| 445 | S | 75.5 | Confident | 68.9 | Low | 35 Ų | 35 | 54.5 Ų | 54.5 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | trans | -91.1 | 121.7 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | V443 T447 V448 N449 | V443-S445 PolarHBondContact O-N 2.91Å; S445-T447 PolarHBondContact O-N 2.95Å; S445-V448 PolarHBondContact O-N 3.28Å; S445-N449 PolarHBondContact O-N 2.91Å; S445-N449 PolarHBondContact O-ND2 2.93Å | ||
| 446 | P | 83.3 | Confident | 71.2 | Confident | 97 Ų | 97 | 52.2 Ų | 52.2 | 63% | 0.63 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60 | -30 | 175.9 | 23.2 | -32.4 | 0 | 0 | 0 | 111.7 | N449 T450 | P446-N449 PolarHBondContact O-N 3.4Å; P446-T450 PolarHBondContact O-N 3.49Å; P446-T450 PolarHBondContact O-OG1 3.02Å |
| 447 | T | 83.6 | Confident | 73.6 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 16% | 0.16 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | A366 K367 N370 S445 T450 T451 | A366-T447 HydrophobicContact CB-CG2 3.92Å; K367-T447 HydrophobicContact CB-CG2 4.46Å; N370-T447 WeakPolarHBondContact ND2-CG2 3.44Å; N370-T447 PolarHBondContact ND2-O 3.23Å; N370-T447 VanDerWaalsContact ND2-O 3.1Å; S445-T447 PolarHBondContact O-N 2.95Å; T447-T450 WeakPolarHBondContact CA-OG1 3.43Å; T447-T450 PolarHBondContact O-N 3.49Å; T447-T450 PolarHBondContact O-OG1 3.38Å; T447-T451 PolarHBondContact O-N 3.5Å; T447-T451 PolarHBondContact O-OG1 2.78Å |
| 448 | V | 85.5 | Confident | 75.6 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | L393 A396 V443 S445 T450 T451 L452 | L393-V448 HydrophobicContact CD2-CG1 3.95Å; A396-V448 HydrophobicContact CB-CG1 4.49Å; A396-V448 HydrophobicContact CB-CG2 3.94Å; V443-V448 HydrophobicContact CB-CG1 4.19Å; V443-V448 HydrophobicContact CG1-CB 4.1Å; V443-V448 HydrophobicContact CG1-CG1 4.11Å; V443-V448 HydrophobicContact CG1-CG2 3.86Å; S445-V448 PolarHBondContact O-N 3.28Å; V448-T450 PolarHBondContact O-N 3.04Å; V448-T451 WeakPolarHBondContact O-CA 3.24Å; V448-T451 VanDerWaalsContact O-CB 3.24Å; V448-T451 WeakPolarHBondContact O-CB 3.24Å; V448-T451 PolarHBondContact O-N 2.95Å; V448-L452 HydrophobicContact CG1-CD1 4.45Å; V448-L452 WeakPolarHBondContact O-CG 3.32Å; V448-L452 PolarHBondContact O-N 3.35Å |
| 449 | N | 87.1 | Confident | 77.7 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -36.2 | 172.9 | -89.4 | -76.9 | 0 | 0 | 0 | 113.8 | S445 P446 T451 R453 A475 N478 | S445-N449 PolarHBondContact O-N 2.91Å; S445-N449 PolarHBondContact O-ND2 2.93Å; P446-N449 PolarHBondContact O-N 3.4Å; N449-T451 VanDerWaalsContact C-N 3.32Å; N449-R453 PolarHBondContact O-N 3.06Å; N449-R453 PolarHBondContact O-NE 2.81Å; N449-R453 VanDerWaalsContact O-NE 3.17Å; N449-A475 PolarHBondContact OD1-O 3.1Å; N449-N478 PolarHBondContact ND2-ND2 3.27Å |
| 450 | T | 89.1 | Confident | 79.8 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.2 | -34.8 | 171.4 | 48 | 0 | 0 | 0 | 0 | 111.9 | P446 T447 V448 S454 | P446-T450 PolarHBondContact O-N 3.49Å; P446-T450 PolarHBondContact O-OG1 3.02Å; T447-T450 WeakPolarHBondContact CA-OG1 3.43Å; T447-T450 PolarHBondContact O-N 3.49Å; T447-T450 PolarHBondContact O-OG1 3.38Å; V448-T450 PolarHBondContact O-N 3.04Å; T450-S454 VanDerWaalsContact O-CB 3.32Å; T450-S454 WeakPolarHBondContact O-CB 3.45Å; T450-S454 PolarHBondContact O-N 2.88Å; T450-S454 PolarHBondContact O-OG 2.97Å |
| 451 | T | 90.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -50.4 | 176.7 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | N370 Y389 I392 L393 T447 V448 N449 R453 S454 L455 | N370-T451 PolarHBondContact ND2-OG1 3.01Å; N370-T451 PolarHBondContact OD1-OG1 3.38Å; N370-T451 VanDerWaalsContact OD1-OG1 3.13Å; Y389-T451 HydrophobicContact CD1-CG2 3.73Å; Y389-T451 HydrophobicContact CG-CG2 4.07Å; I392-T451 HydrophobicContact CB-CG2 4Å; I392-T451 HydrophobicContact CD1-CG2 4.26Å; I392-T451 HydrophobicContact CG2-CG2 4.02Å; L393-T451 HydrophobicContact CD1-CG2 4.37Å; L393-T451 HydrophobicContact CD2-CG2 3.89Å; L393-T451 HydrophobicContact CG-CG2 3.77Å; T447-T451 PolarHBondContact O-N 3.5Å; T447-T451 PolarHBondContact O-OG1 2.78Å; V448-T451 WeakPolarHBondContact O-CA 3.24Å; V448-T451 VanDerWaalsContact O-CB 3.24Å; V448-T451 WeakPolarHBondContact O-CB 3.24Å; V448-T451 PolarHBondContact O-N 2.95Å; N449-T451 VanDerWaalsContact C-N 3.32Å; T451-R453 VanDerWaalsContact C-N 3.34Å; T451-R453 PolarHBondContact O-N 3.21Å; T451-S454 PolarHBondContact O-N 2.84Å; T451-S454 VanDerWaalsContact O-N 3.14Å; T451-L455 WeakPolarHBondContact O-CB 3.46Å; T451-L455 PolarHBondContact O-N 3.36Å |
| 452 | L | 89.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.7 | -47 | 177.8 | -71.5 | 170.4 | 0 | 0 | 0 | 111.8 | L393 I411 V448 G456 L471 C474 A475 | L393-L452 HydrophobicContact CD1-CD2 3.95Å; L393-L452 HydrophobicContact CD2-CD2 3.6Å; L393-L452 HydrophobicContact CD2-CG 3.86Å; L393-L452 HydrophobicContact CG-CD2 4.45Å; I411-L452 HydrophobicContact CD1-CD2 4.5Å; I411-L452 HydrophobicContact CG2-CD2 4.2Å; V448-L452 HydrophobicContact CG1-CD1 4.45Å; V448-L452 WeakPolarHBondContact O-CG 3.32Å; V448-L452 PolarHBondContact O-N 3.35Å; L452-G456 PolarHBondContact O-N 3.11Å; L452-L471 HydrophobicContact CD2-CD2 3.57Å; L452-C474 HydrophobicContact CD1-CB 4.5Å; L452-A475 HydrophobicContact CB-CB 3.99Å; L452-A475 HydrophobicContact CD1-CB 4.37Å |
| 453 | R | 90.4 | Very high | 85.4 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 177.1 | -75.3 | -178.8 | -77.5 | 134.1 | -8 | 112.8 | N449 T451 A457 A475 | N449-R453 PolarHBondContact O-N 3.06Å; N449-R453 PolarHBondContact O-NE 2.81Å; N449-R453 VanDerWaalsContact O-NE 3.17Å; T451-R453 VanDerWaalsContact C-N 3.34Å; T451-R453 PolarHBondContact O-N 3.21Å; R453-A457 WeakPolarHBondContact O-CB 3.38Å; R453-A457 PolarHBondContact O-N 3.47Å; R453-A475 HydrophobicContact CG-CB 3.86Å |
| 454 | S | 91.7 | Very high | 86.9 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.7 | -38.7 | -178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | Y389 T450 T451 A457 L458 | Y389-S454 WeakPolarHBondContact OH-CB 3.37Å; T450-S454 VanDerWaalsContact O-CB 3.32Å; T450-S454 WeakPolarHBondContact O-CB 3.45Å; T450-S454 PolarHBondContact O-N 2.88Å; T450-S454 PolarHBondContact O-OG 2.97Å; T451-S454 PolarHBondContact O-N 2.84Å; T451-S454 VanDerWaalsContact O-N 3.14Å; S454-A457 PolarHBondContact O-N 3.22Å; S454-L458 PolarHBondContact O-N 2.86Å |
| 455 | L | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 173.8 | -174.2 | 62.3 | 0 | 0 | 0 | 111.8 | E386 Y389 L393 W412 T451 A457 L458 Y459 L471 | E386-L455 HydrophobicContact CG-CD1 3.82Å; Y389-L455 HydrophobicContact CD2-CB 4.36Å; L393-L455 HydrophobicContact CD1-CD2 3.52Å; W412-L455 HydrophobicContact CB-CD2 3.87Å; T451-L455 WeakPolarHBondContact O-CB 3.46Å; T451-L455 PolarHBondContact O-N 3.36Å; L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 2.84Å; L455-L458 HydrophobicContact CD1-CD1 4.48Å; L455-L458 WeakPolarHBondContact O-CB 3.45Å; L455-L458 PolarHBondContact O-N 2.99Å; L455-L458 VanDerWaalsContact O-N 3.08Å; L455-Y459 HydrophobicContact CD1-CD1 4.48Å; L455-Y459 HydrophobicContact CD1-CE1 4.02Å; L455-Y459 HydrophobicContact CD1-CE2 4.45Å; L455-Y459 HydrophobicContact CD2-CE2 4.31Å; L455-Y459 HydrophobicContact CG-CD2 4.46Å; L455-Y459 HydrophobicContact CG-CE2 4.11Å; L455-Y459 PolarHBondContact O-N 3.25Å; L455-L471 HydrophobicContact CB-CD1 4.19Å; L455-L471 HydrophobicContact CD2-CD1 3.88Å; L455-L471 HydrophobicContact CD2-CD2 4.34Å; L455-L471 HydrophobicContact CG-CD1 3.77Å |
| 456 | G | 89.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L452 L458 Y459 R460 A468 | L452-G456 PolarHBondContact O-N 3.11Å; G456-L458 PolarHBondContact O-N 3.23Å; G456-Y459 PolarHBondContact O-N 3.4Å; G456-R460 PolarHBondContact O-N 2.97Å; G456-A468 VanDerWaalsContact O-CB 3.31Å; G456-A468 WeakPolarHBondContact O-CB 3.33Å |
| 457 | A | 90.9 | Very high | 88.5 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R453 S454 L455 R461 | R453-A457 WeakPolarHBondContact O-CB 3.38Å; R453-A457 PolarHBondContact O-N 3.47Å; S454-A457 PolarHBondContact O-N 3.22Å; L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 2.84Å; A457-R461 WeakPolarHBondContact O-CG 3.48Å; A457-R461 PolarHBondContact O-N 3.4Å |
| 458 | L | 91.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -47.3 | 173.2 | -84.4 | 175 | 0 | 0 | 0 | 112 | L377 Y382 A385 E386 Y389 S454 L455 G456 R460 R461 Q462 | L377-L458 HydrophobicContact CD2-CD1 4.06Å; L377-L458 HydrophobicContact CD2-CD2 3.44Å; L377-L458 VanDerWaalsContact CD2-CD2 3.44Å; L377-L458 HydrophobicContact CD2-CG 3.92Å; Y382-L458 HydrophobicContact CD1-CD2 3.72Å; Y382-L458 HydrophobicContact CG-CD2 4.3Å; A385-L458 HydrophobicContact CB-CD1 4.27Å; E386-L458 HydrophobicContact CB-CD1 4.19Å; Y389-L458 HydrophobicContact CD2-CD1 3.66Å; Y389-L458 HydrophobicContact CE2-CD1 3.72Å; S454-L458 PolarHBondContact O-N 2.86Å; L455-L458 HydrophobicContact CD1-CD1 4.48Å; L455-L458 WeakPolarHBondContact O-CB 3.45Å; L455-L458 PolarHBondContact O-N 2.99Å; L455-L458 VanDerWaalsContact O-N 3.08Å; G456-L458 PolarHBondContact O-N 3.23Å; L458-R460 VanDerWaalsContact C-N 3.32Å; L458-R460 PolarHBondContact O-N 2.97Å; L458-R461 WeakPolarHBondContact O-CA 3.47Å; L458-R461 WeakPolarHBondContact O-CB 3.32Å; L458-R461 PolarHBondContact O-N 3.4Å; L458-Q462 WeakPolarHBondContact O-CG 3.39Å; L458-Q462 PolarHBondContact O-N 2.88Å |
| 459 | Y | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -37.1 | 177.6 | -74.7 | -14.9 | 0 | 0 | 0 | 112.8 | E386 K390 E416 L455 G456 R461 Q462 G463 K464 A467 L471 | E386-Y459 HydrophobicContact CG-CE1 4.34Å; K390-Y459 WeakPolarHBondContact CE-OH 3.49Å; K390-Y459 PolarHBondContact NZ-OH 2.89Å; E416-Y459 VanDerWaalsContact CD-OH 3.27Å; E416-Y459 HydrophobicContact CG-CE2 4.21Å; E416-Y459 PolarHBondContact OE1-OH 3.46Å; L455-Y459 HydrophobicContact CD1-CD1 4.48Å; L455-Y459 HydrophobicContact CD1-CE1 4.02Å; L455-Y459 HydrophobicContact CD1-CE2 4.45Å; L455-Y459 HydrophobicContact CD2-CE2 4.31Å; L455-Y459 HydrophobicContact CG-CD2 4.46Å; L455-Y459 HydrophobicContact CG-CE2 4.11Å; L455-Y459 PolarHBondContact O-N 3.25Å; G456-Y459 PolarHBondContact O-N 3.4Å; Y459-R461 VanDerWaalsContact C-N 3.28Å; Y459-R461 PolarHBondContact O-N 3.15Å; Y459-Q462 CarbonylContact O-C 3.45Å; Y459-Q462 PolarHBondContact O-N 3.19Å; Y459-Q462 VanDerWaalsContact O-N 3.13Å; Y459-G463 PolarHBondContact O-N 3.49Å; Y459-G463 VanDerWaalsContact O-N 3.12Å; Y459-K464 HydrophobicContact CD1-CD 4.06Å; Y459-K464 HydrophobicContact CE1-CD 4.41Å; Y459-K464 HydrophobicContact CG-CD 4.42Å; Y459-K464 PolarHBondContact O-N 3.27Å; Y459-A467 HydrophobicContact CD2-CB 3.6Å; Y459-A467 HydrophobicContact CE2-CB 4.08Å; Y459-A467 HydrophobicContact CG-CB 4.27Å; Y459-L471 HydrophobicContact CD2-CD1 3.42Å; Y459-L471 VanDerWaalsContact CD2-CD1 3.42Å; Y459-L471 HydrophobicContact CE2-CD1 3.5Å; Y459-L471 VanDerWaalsContact CE2-CD1 3.5Å |
| 460 | R | 90.2 | Very high | 88.6 | Confident | 121 Ų | 121 | 48.3 Ų | 48.3 | 46% | 0.457 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 170.9 | -177.1 | -179.1 | -71.2 | 118 | -1.5 | 111.7 | G456 L458 Q462 G463 L465 A468 E472 | G456-R460 PolarHBondContact O-N 2.97Å; L458-R460 VanDerWaalsContact C-N 3.32Å; L458-R460 PolarHBondContact O-N 2.97Å; R460-Q462 VanDerWaalsContact C-N 3.31Å; R460-Q462 PolarHBondContact O-N 2.96Å; R460-G463 PolarHBondContact O-N 3.48Å; R460-L465 HydrophobicContact CG-CD2 4.2Å; R460-A468 HydrophobicContact CB-CB 4.11Å; R460-E472 IonicContact CZ-OE1 3.65Å; R460-E472 IonicContact CZ-OE2 2.68Å; R460-E472 IonicContact NH1-OE1 3.11Å; R460-E472 PolarHBondContact NH1-OE1 3.17Å; R460-E472 IonicContact NH1-OE2 3.75Å; R460-E472 IonicContact NH2-OE1 2.84Å; R460-E472 PolarHBondContact NH2-OE1 3.44Å; R460-E472 IonicContact NH2-OE2 2.71Å; R460-E472 PolarHBondContact NH2-OE2 2.93Å |
| 461 | R | 87.8 | Confident | 88.4 | Confident | 170 Ų | 170 | 45.9 Ų | 45.9 | 64% | 0.642 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.9 | -28.6 | 177.2 | -69.2 | 175.5 | 66.1 | 129.1 | 7.4 | 113 | Y382 A457 L458 Y459 G463 | Y382-R461 VanDerWaalsContact CZ-NH2 3.27Å; Y382-R461 PolarHBondContact OH-NH2 3.49Å; A457-R461 WeakPolarHBondContact O-CG 3.48Å; A457-R461 PolarHBondContact O-N 3.4Å; L458-R461 WeakPolarHBondContact O-CA 3.47Å; L458-R461 WeakPolarHBondContact O-CB 3.32Å; L458-R461 PolarHBondContact O-N 3.4Å; Y459-R461 VanDerWaalsContact C-N 3.28Å; Y459-R461 PolarHBondContact O-N 3.15Å; R461-G463 VanDerWaalsContact C-N 3.31Å |
| 462 | Q | 88.6 | Confident | 88.1 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -81.4 | -7.6 | 175.3 | -67.4 | 176.6 | 4.7 | 0 | 0 | 113.4 | E386 L458 Y459 R460 | E386-Q462 PolarHBondContact OE2-NE2 3.36Å; L458-Q462 WeakPolarHBondContact O-CG 3.39Å; L458-Q462 PolarHBondContact O-N 2.88Å; Y459-Q462 CarbonylContact O-C 3.45Å; Y459-Q462 PolarHBondContact O-N 3.19Å; Y459-Q462 VanDerWaalsContact O-N 3.13Å; R460-Q462 VanDerWaalsContact C-N 3.31Å; R460-Q462 PolarHBondContact O-N 2.96Å |
| 463 | G | 86.4 | Confident | 87.8 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 0.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y459 R460 R461 L465 | Y459-G463 PolarHBondContact O-N 3.49Å; Y459-G463 VanDerWaalsContact O-N 3.12Å; R460-G463 PolarHBondContact O-N 3.48Å; R461-G463 VanDerWaalsContact C-N 3.31Å; G463-L465 VanDerWaalsContact C-N 3.35Å; G463-L465 PolarHBondContact O-N 3.31Å |
| 464 | K | 89.9 | Confident | 87.2 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 27% | 0.265 | 23% | 0.226 | S | C | . | . | trans | -81.1 | 75.4 | 176.1 | -59.4 | 177.4 | 179 | 170.3 | 0 | 110.6 | E416 E419 Y459 A467 A468 | E416-K464 IonicContact OE1-NZ 3.88Å; E416-K464 PolarHBondContact OE1-NZ 3.3Å; E416-K464 VanDerWaalsContact OE1-NZ 3.1Å; E419-K464 HydrophobicContact CG-CB 4.06Å; E419-K464 HydrophobicContact CG-CG 4.24Å; E419-K464 VanDerWaalsContact OE2-CA 3.32Å; E419-K464 WeakPolarHBondContact OE2-CA 3.47Å; Y459-K464 HydrophobicContact CD1-CD 4.06Å; Y459-K464 HydrophobicContact CE1-CD 4.41Å; Y459-K464 HydrophobicContact CG-CD 4.42Å; Y459-K464 PolarHBondContact O-N 3.27Å; K464-A467 HydrophobicContact CB-CB 3.99Å; K464-A468 WeakPolarHBondContact O-CB 3.47Å; K464-A468 PolarHBondContact O-N 3.1Å | ||
| 465 | L | 86.4 | Confident | 86.6 | Confident | 97 Ų | 97 | 43.5 Ų | 43.5 | 51% | 0.508 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.2 | -35.4 | -170.8 | -65.1 | 175.2 | 0 | 0 | 0 | 114 | E419 R460 G463 A468 H469 | E419-L465 PolarHBondContact OE2-N 2.68Å; E419-L465 VanDerWaalsContact OE2-N 3.11Å; R460-L465 HydrophobicContact CG-CD2 4.2Å; G463-L465 VanDerWaalsContact C-N 3.35Å; G463-L465 PolarHBondContact O-N 3.31Å; L465-A468 PolarHBondContact O-N 3.49Å; L465-H469 WeakPolarHBondContact O-CB 3.27Å; L465-H469 PolarHBondContact O-N 3.32Å |
| 466 | E | 82.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.7 | -38.6 | 179.1 | -167.6 | 67.9 | -167.5 | 0 | 0 | 110.5 | R418 E419 A468 H469 T470 | R418-E466 HydrophobicContact CG-CG 3.76Å; R418-E466 IonicContact CZ-OE1 3.83Å; R418-E466 VanDerWaalsContact CZ-OE1 3.24Å; R418-E466 IonicContact NE-OE1 3.95Å; R418-E466 PolarHBondContact NE-OE1 3.4Å; R418-E466 IonicContact NH2-OE1 2.99Å; R418-E466 PolarHBondContact NH2-OE1 2.94Å; E419-E466 WeakPolarHBondContact OE2-CA 3.31Å; E419-E466 VanDerWaalsContact OE2-CB 3.25Å; E419-E466 WeakPolarHBondContact OE2-CB 3.45Å; E419-E466 PolarHBondContact OE2-N 2.93Å; E466-A468 VanDerWaalsContact C-N 3.34Å; E466-H469 PolarHBondContact O-N 2.89Å; E466-T470 WeakPolarHBondContact O-CG2 3.26Å; E466-T470 PolarHBondContact O-N 3.43Å; E466-T470 PolarHBondContact O-OG1 2.94Å |
| 467 | A | 85.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A415 E419 Y459 K464 T470 L471 | A415-A467 HydrophobicContact CB-CB 4.11Å; A415-A467 WeakPolarHBondContact O-CB 3.48Å; E419-A467 HydrophobicContact CB-CB 4.29Å; E419-A467 PolarHBondContact OE2-N 2.98Å; Y459-A467 HydrophobicContact CD2-CB 3.6Å; Y459-A467 HydrophobicContact CE2-CB 4.08Å; Y459-A467 HydrophobicContact CG-CB 4.27Å; K464-A467 HydrophobicContact CB-CB 3.99Å; A467-T470 WeakPolarHBondContact CA-OG1 3.35Å; A467-T470 PolarHBondContact O-OG1 3.49Å; A467-L471 PolarHBondContact O-N 3.3Å |
| 468 | A | 88.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G456 R460 K464 L465 E466 T470 L471 E472 | G456-A468 VanDerWaalsContact O-CB 3.31Å; G456-A468 WeakPolarHBondContact O-CB 3.33Å; R460-A468 HydrophobicContact CB-CB 4.11Å; K464-A468 WeakPolarHBondContact O-CB 3.47Å; K464-A468 PolarHBondContact O-N 3.1Å; L465-A468 PolarHBondContact O-N 3.49Å; E466-A468 VanDerWaalsContact C-N 3.34Å; A468-T470 PolarHBondContact O-N 3.23Å; A468-L471 PolarHBondContact O-N 2.92Å; A468-E472 WeakPolarHBondContact O-CB 3.4Å; A468-E472 WeakPolarHBondContact O-CG 3.49Å; A468-E472 PolarHBondContact O-N 3.02Å |
| 469 | H | 85.7 | Confident | 80.5 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -44 | -180 | -174.2 | -88 | 0 | 0 | 0 | 112 | L465 E466 L471 E472 D473 | L465-H469 WeakPolarHBondContact O-CB 3.27Å; L465-H469 PolarHBondContact O-N 3.32Å; E466-H469 PolarHBondContact O-N 2.89Å; H469-L471 PolarHBondContact O-N 2.84Å; H469-E472 PolarHBondContact O-N 3.5Å; H469-D473 IonicContact CE1-OD1 3.13Å; H469-D473 IonicContact CE1-OD2 2.77Å; H469-D473 PolarHBondContact CE1-OD2 3.14Å; H469-D473 IonicContact ND1-OD2 3.64Å; H469-D473 PolarHBondContact ND1-OD2 3.47Å; H469-D473 IonicContact NE2-OD2 2.91Å; H469-D473 WeakPolarHBondContact O-CB 3.28Å; H469-D473 PolarHBondContact O-N 3.07Å |
| 470 | T | 84.3 | Confident | 78 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 178.3 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | A415 E466 A467 A468 C474 | A415-T470 VanDerWaalsContact CB-OG1 3.25Å; A415-T470 WeakPolarHBondContact CB-OG1 3.47Å; E466-T470 WeakPolarHBondContact O-CG2 3.26Å; E466-T470 PolarHBondContact O-N 3.43Å; E466-T470 PolarHBondContact O-OG1 2.94Å; A467-T470 WeakPolarHBondContact CA-OG1 3.35Å; A467-T470 PolarHBondContact O-OG1 3.49Å; A468-T470 PolarHBondContact O-N 3.23Å; T470-C474 PolarHBondContact O-N 2.86Å; T470-C474 VanDerWaalsContact O-N 3.14Å |
| 471 | L | 84.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 175.9 | -75.4 | 166.2 | 0 | 0 | 0 | 112.4 | L393 I411 A415 L452 L455 Y459 A467 A468 H469 C474 A475 | L393-L471 HydrophobicContact CD1-CD2 4.24Å; I411-L471 HydrophobicContact CG2-CD2 3.99Å; A415-L471 HydrophobicContact CB-CG 4.22Å; L452-L471 HydrophobicContact CD2-CD2 3.57Å; L455-L471 HydrophobicContact CB-CD1 4.19Å; L455-L471 HydrophobicContact CD2-CD1 3.88Å; L455-L471 HydrophobicContact CD2-CD2 4.34Å; L455-L471 HydrophobicContact CG-CD1 3.77Å; Y459-L471 HydrophobicContact CD2-CD1 3.42Å; Y459-L471 VanDerWaalsContact CD2-CD1 3.42Å; Y459-L471 HydrophobicContact CE2-CD1 3.5Å; Y459-L471 VanDerWaalsContact CE2-CD1 3.5Å; A467-L471 PolarHBondContact O-N 3.3Å; A468-L471 PolarHBondContact O-N 2.92Å; H469-L471 PolarHBondContact O-N 2.84Å; L471-C474 PolarHBondContact O-N 3.36Å; L471-A475 PolarHBondContact O-N 3.27Å |
| 472 | E | 84.3 | Confident | 73 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 25% | 0.248 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.7 | -34.6 | 178.7 | -72.7 | -179.4 | 176.3 | 0 | 0 | 112.9 | R460 A468 H469 A475 S476 | R460-E472 IonicContact CZ-OE1 3.65Å; R460-E472 IonicContact CZ-OE2 2.68Å; R460-E472 IonicContact NH1-OE1 3.11Å; R460-E472 PolarHBondContact NH1-OE1 3.17Å; R460-E472 IonicContact NH1-OE2 3.75Å; R460-E472 IonicContact NH2-OE1 2.84Å; R460-E472 PolarHBondContact NH2-OE1 3.44Å; R460-E472 IonicContact NH2-OE2 2.71Å; R460-E472 PolarHBondContact NH2-OE2 2.93Å; A468-E472 WeakPolarHBondContact O-CB 3.4Å; A468-E472 WeakPolarHBondContact O-CG 3.49Å; A468-E472 PolarHBondContact O-N 3.02Å; H469-E472 PolarHBondContact O-N 3.5Å; E472-A475 PolarHBondContact O-N 3.14Å; E472-S476 WeakPolarHBondContact O-CB 3.48Å; E472-S476 PolarHBondContact O-N 3.2Å; E472-S476 PolarHBondContact O-OG 2.85Å |
| 473 | D | 83 | Confident | 70.5 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 172 | -91.7 | -8 | 0 | 0 | 0 | 111.6 | H469 A475 S476 R477 | H469-D473 IonicContact CE1-OD1 3.13Å; H469-D473 IonicContact CE1-OD2 2.77Å; H469-D473 PolarHBondContact CE1-OD2 3.14Å; H469-D473 IonicContact ND1-OD2 3.64Å; H469-D473 PolarHBondContact ND1-OD2 3.47Å; H469-D473 IonicContact NE2-OD2 2.91Å; H469-D473 WeakPolarHBondContact O-CB 3.28Å; H469-D473 PolarHBondContact O-N 3.07Å; D473-A475 VanDerWaalsContact C-N 3.32Å; D473-A475 PolarHBondContact O-N 3.27Å; D473-S476 PolarHBondContact O-N 2.98Å; D473-S476 VanDerWaalsContact O-N 3.16Å; D473-R477 WeakPolarHBondContact O-CB 3.33Å; D473-R477 VanDerWaalsContact O-CG 3.3Å; D473-R477 WeakPolarHBondContact O-CG 3.49Å; D473-R477 PolarHBondContact O-N 2.82Å |
| 474 | C | 77.6 | Confident | 67.7 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | W437 C441 L452 T470 L471 S476 | W437-C474 HydrophobicContact CZ3-CB 4.5Å; C441-C474 WeakPolarHBondContact CB-SG 3.23Å; C441-C474 WeakPolarHBondContact SG-CB 3.42Å; C441-C474 CovalentContact SG-SG 2.07Å; C441-C474 PolarHBondContact SG-SG 2.88Å; L452-C474 HydrophobicContact CD1-CB 4.5Å; T470-C474 PolarHBondContact O-N 2.86Å; T470-C474 VanDerWaalsContact O-N 3.14Å; L471-C474 PolarHBondContact O-N 3.36Å; C474-S476 VanDerWaalsContact C-N 3.29Å; C474-S476 PolarHBondContact O-N 3.03Å |
| 475 | A | 78.4 | Confident | 65.2 | Low | 9 Ų | 9 | 71.6 Ų | 71.6 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -29 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N449 L452 R453 L471 E472 D473 | N449-A475 PolarHBondContact OD1-O 3.1Å; L452-A475 HydrophobicContact CB-CB 3.99Å; L452-A475 HydrophobicContact CD1-CB 4.37Å; R453-A475 HydrophobicContact CG-CB 3.86Å; L471-A475 PolarHBondContact O-N 3.27Å; E472-A475 PolarHBondContact O-N 3.14Å; D473-A475 VanDerWaalsContact C-N 3.32Å; D473-A475 PolarHBondContact O-N 3.27Å |
| 476 | S | 73.1 | Confident | 62.8 | Low | 64 Ų | 64 | 69.6 Ų | 69.6 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -86 | -32.3 | -178.3 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | E472 D473 C474 R479 | E472-S476 WeakPolarHBondContact O-CB 3.48Å; E472-S476 PolarHBondContact O-N 3.2Å; E472-S476 PolarHBondContact O-OG 2.85Å; D473-S476 PolarHBondContact O-N 2.98Å; D473-S476 VanDerWaalsContact O-N 3.16Å; C474-S476 VanDerWaalsContact C-N 3.29Å; C474-S476 PolarHBondContact O-N 3.03Å; S476-R479 WeakPolarHBondContact O-CB 3.38Å; S476-R479 PolarHBondContact O-N 3.3Å |
| 477 | R | 65.4 | Low | 60.7 | Low | 86 Ų | 86 | 70.7 Ų | 70.7 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.6 | -31.3 | 179.4 | -74.4 | 174.1 | -172.2 | -165.4 | -2.4 | 113.1 | Y438 D473 R479 K480 Q481 | Y438-R477 PolarHBondContact OH-NH1 3.09Å; D473-R477 WeakPolarHBondContact O-CB 3.33Å; D473-R477 VanDerWaalsContact O-CG 3.3Å; D473-R477 WeakPolarHBondContact O-CG 3.49Å; D473-R477 PolarHBondContact O-N 2.82Å; R477-R479 PolarHBondContact O-N 3.03Å; R477-K480 PolarHBondContact O-N 3.41Å; R477-Q481 PolarHBondContact O-N 2.88Å; R477-Q481 VanDerWaalsContact O-N 3.17Å |
| 478 | N | 54.6 | Low | 58.4 | Low | 40 Ų | 40 | 77.9 Ų | 77.9 | 21% | 0.214 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.2 | 172.3 | -166.3 | -46.2 | 0 | 0 | 0 | 111.3 | V443 D444 N449 | V443-N478 PolarHBondContact O-ND2 3.38Å; D444-N478 PolarHBondContact OD1-ND2 3.41Å; D444-N478 PolarHBondContact OD1-OD1 2.92Å; N449-N478 PolarHBondContact ND2-ND2 3.27Å |
| 479 | R | 42.9 | Very low | 56 | Low | 215 Ų | 215 | 82.3 Ų | 82.3 | 81% | 0.811 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.8 | 174.3 | -155.5 | -178.3 | -70.6 | -168.1 | -1.3 | 114.4 | S476 R477 | S476-R479 WeakPolarHBondContact O-CB 3.38Å; S476-R479 PolarHBondContact O-N 3.3Å; R477-R479 PolarHBondContact O-N 3.03Å |
| 480 | K | 39.2 | Very low | 53.7 | Low | 161 Ų | 161 | 85 Ų | 85 | 70% | 0.7 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -23.4 | -176.5 | -73.9 | -175.4 | 177.6 | 179.5 | 0 | 113.7 | R477 G482 L483 | R477-K480 PolarHBondContact O-N 3.41Å; K480-G482 PolarHBondContact O-N 3.49Å; K480-L483 PolarHBondContact O-N 2.99Å |
| 481 | Q | 40.8 | Very low | 51.4 | Low | 134 Ų | 134 | 88.1 Ų | 88.1 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -3.3 | 177.4 | -86.6 | 177.9 | 0.6 | 0 | 0 | 114.9 | R477 L483 | R477-Q481 PolarHBondContact O-N 2.88Å; R477-Q481 VanDerWaalsContact O-N 3.17Å; Q481-L483 PolarHBondContact O-N 3.28Å |
| 482 | G | 32.2 | Very low | 49.1 | Very low | 74 Ų | 74 | 93.1 Ų | 93.1 | 76% | 0.763 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -2.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K480 | K480-G482 PolarHBondContact O-N 3.49Š|
| 483 | L | 35.7 | Very low | 46.8 | Very low | 145 Ų | 145 | 97 Ų | 97 | 76% | 0.759 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -119.3 | 118.5 | 170.7 | -67.5 | 166.1 | 0 | 0 | 0 | 108.1 | K480 Q481 | K480-L483 PolarHBondContact O-N 2.99Å; Q481-L483 PolarHBondContact O-N 3.28Å |
| 484 | D | 27.9 | Very low | 44.6 | Very low | 109 Ų | 109 | 101.5 Ų | 101.5 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | trans | -43 | 125 | -168.6 | -166 | -0.7 | 0 | 0 | 0 | 116.1 | A486 S487 | D484-A486 PolarHBondContact O-N 3.46Å; D484-A486 WeakPolarHBondContact OD1-CB 3.3Å; D484-A486 PolarHBondContact OD1-N 3.3Å; D484-A486 VanDerWaalsContact OD1-N 3.1Å; D484-S487 PolarHBondContact O-N 2.97Å; D484-S487 PolarHBondContact O-OG 3.01Å | ||
| 485 | P | 37.7 | Very low | 42.7 | Very low | 88 Ų | 88 | 108.2 Ų | 108.2 | 57% | 0.571 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -8.7 | 173.3 | 28.7 | -35 | 0 | 0 | 0 | 114 | S487 Q488 | P485-S487 PolarHBondContact O-N 3.02Å; P485-Q488 PolarHBondContact O-N 3.41Å |
| 486 | A | 36 | Very low | 40.7 | Very low | 55 Ų | 55 | 116 Ų | 116 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.4 | -16.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | D484 | D484-A486 PolarHBondContact O-N 3.46Å; D484-A486 WeakPolarHBondContact OD1-CB 3.3Å; D484-A486 PolarHBondContact OD1-N 3.3Å; D484-A486 VanDerWaalsContact OD1-N 3.1Å |
| 487 | S | 37.9 | Very low | 38.7 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 54% | 0.538 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -79.6 | -25.3 | -179.9 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | D484 P485 | D484-S487 PolarHBondContact O-N 2.97Å; D484-S487 PolarHBondContact O-OG 3.01Å; P485-S487 PolarHBondContact O-N 3.02Å |
| 488 | Q | 37.2 | Very low | 37.2 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -84.9 | -30.4 | -177 | -76.3 | -170.8 | -23.1 | 0 | 0 | 113.3 | P485 K490 V491 V492 | P485-Q488 PolarHBondContact O-N 3.41Å; Q488-K490 VanDerWaalsContact C-N 3.33Å; Q488-K490 PolarHBondContact O-N 3.46Å; Q488-V491 PolarHBondContact O-N 3.03Å; Q488-V492 PolarHBondContact O-N 3.32Å |
| 489 | T | 37.2 | Very low | 36.1 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.2 | -34.2 | 179.4 | -34.3 | 0 | 0 | 0 | 0 | 112.1 | V491 V492 E493 | T489-V491 PolarHBondContact O-N 2.85Å; T489-V492 PolarHBondContact O-N 2.92Å; T489-E493 PolarHBondContact O-N 3.15Å |
| 490 | K | 37.8 | Very low | 35.4 | Very low | 150 Ų | 150 | 117 Ų | 117 | 65% | 0.652 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.8 | -27.3 | 176.4 | -86.2 | 179.6 | 175 | 176.8 | 0 | 114.2 | Q488 L494 | Q488-K490 VanDerWaalsContact C-N 3.33Å; Q488-K490 PolarHBondContact O-N 3.46Å; K490-L494 WeakPolarHBondContact O-CD1 3.41Å; K490-L494 WeakPolarHBondContact O-CG 3.5Å; K490-L494 PolarHBondContact O-N 3.24Å |
| 491 | V | 35.5 | Very low | 34.8 | Very low | 90 Ų | 90 | 112.9 Ų | 112.9 | 55% | 0.545 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -78 | -28.6 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | Q488 T489 | Q488-V491 PolarHBondContact O-N 3.03Å; T489-V491 PolarHBondContact O-N 2.85Å |
| 492 | V | 37.1 | Very low | 34.1 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.2 | -31.2 | 178 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | Q488 T489 | Q488-V492 PolarHBondContact O-N 3.32Å; T489-V492 PolarHBondContact O-N 2.92Å |
| 493 | E | 34.9 | Very low | 33.9 | Very low | 134 Ų | 134 | 118.8 Ų | 118.8 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72 | -38.1 | 173.2 | -94.3 | 178.2 | 153.5 | 0 | 0 | 113 | T489 L495 K496 | T489-E493 PolarHBondContact O-N 3.15Å; E493-L495 PolarHBondContact O-N 2.91Å; E493-K496 PolarHBondContact O-N 3.3Å |
| 494 | L | 37.2 | Very low | 33.5 | Very low | 147 Ų | 147 | 119.2 Ų | 119.2 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -16.6 | -179.9 | -76.9 | 166.5 | 0 | 0 | 0 | 114.4 | K490 | K490-L494 WeakPolarHBondContact O-CD1 3.41Å; K490-L494 WeakPolarHBondContact O-CG 3.5Å; K490-L494 PolarHBondContact O-N 3.24Å |
| 495 | L | 37.5 | Very low | 33.4 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -7.3 | 175.8 | -81.4 | 162.3 | 0 | 0 | 0 | 113.4 | E493 | E493-L495 PolarHBondContact O-N 2.91Š|
| 496 | K | 36.2 | Very low | 32.8 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -15.9 | -176.5 | -152 | 176.6 | 179.2 | -173.9 | 0 | 114.1 | E493 | E493-K496 PolarHBondContact O-N 3.3Š|
| 497 | D | 32.3 | Very low | 32.3 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 11.7 | -176.5 | -77.5 | -13.2 | 0 | 0 | 0 | 115.2 | ||
| 498 | G | 32.5 | Very low | 31.7 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -7 | -177 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 499 | S | 33.2 | Very low | 31.3 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -123.8 | 94.3 | -171.6 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 500 | G | 27.2 | Very low | 30.8 | Very low | 83 Ų | 83 | 138 Ų | 138 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -171.6 | 70.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 501 | G | 26.6 | Very low | 30.3 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 110.4 | 133.9 | 134.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 502 | R | 26.4 | Very low | 29.9 | Very low | 258 Ų | 258 | 137.6 Ų | 137.6 | 97% | 0.974 | 79% | 0.785 | S | S | * | * | trans | 84.3 | 123.8 | 163.7 | -62.4 | 180 | 161.9 | -158.4 | -4.7 | 115.9 | ||||
| 503 | G | 26.9 | Very low | 29.4 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | 145.3 | 127.7 | 8.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 504 | D | 27.2 | Very low | 28.9 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 72 | 107.2 | 151.8 | -96.4 | -8.8 | 0 | 0 | 0 | 121.3 | ||||
| 505 | R | 26.7 | Very low | 28.3 | Very low | 208 Ų | 208 | 131.7 Ų | 131.7 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 169.3 | 128.7 | 98.7 | -93.2 | 171.1 | -172.8 | -169.7 | 3.2 | 114.6 | |||||
| 506 | R | 25.9 | Very low | 27.7 | Very low | 233 Ų | 233 | 128.2 Ų | 128.2 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | 59.5 | 122.6 | 136.3 | -70.9 | -179.4 | 174.8 | -179.1 | -2.5 | 121 | ||||
| 507 | G | 25.8 | Very low | 27.8 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 177.2 | 87.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 508 | S | 25.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -76.7 | 137.7 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 509 | R | 27.5 | Very low | 27.1 | Very low | 213 Ų | 213 | 131.6 Ų | 131.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 161.2 | 134.3 | 121.9 | -94.7 | -175.6 | 142.2 | 144.1 | 0.2 | 115.2 | |||||
| 510 | D | 26.4 | Very low | 26.7 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | trans | 59.2 | 112.2 | 132.5 | -55.7 | -25.6 | 0 | 0 | 0 | 119.5 | ||||
| 511 | V | 27.5 | Very low | 26.7 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | 105.8 | 142.4 | 68.9 | 158.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 512 | A | 28.1 | Very low | 26.6 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | 85.5 | 134.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 513 | G | 25.3 | Very low | 26.6 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | cis | 112.2 | 114.4 | 14.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 514 | G | 25.3 | Very low | 26.6 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 126 | 106.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 515 | A | 25.3 | Very low | 26.5 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | 78.6 | 122.5 | 85.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 516 | G | 24 | Very low | 26.5 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -71 | -157.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 517 | P | 37.7 | Very low | 26.5 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | cis | -144.1 | -179.7 | 16.9 | 41.2 | -19.9 | 0 | 0 | 0 | 117.4 | ||||
| 518 | R | 24.8 | Very low | 26.7 | Very low | 241 Ų | 241 | 127 Ų | 127 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 51.6 | 128 | 143.3 | -75.2 | 175.8 | 177.7 | -168.3 | -1.9 | 123.6 | ||||
| 519 | S | 26.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | -172.8 | 107 | 123.9 | 53.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 520 | E | 23.7 | Very low | 26.6 | Very low | 187 Ų | 187 | 122.3 Ų | 122.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | 54.3 | 109.2 | 89.9 | -86.4 | -175.1 | 159.5 | 0 | 0 | 115.8 | |||||
| 521 | S | 28.1 | Very low | 26.5 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -171.5 | 89.4 | 138.1 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 522 | D | 24.6 | Very low | 26.4 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | 42.8 | 135.1 | 119.8 | -80.6 | -24.7 | 0 | 0 | 0 | 124.6 | |||||
| 523 | L | 27.1 | Very low | 26.3 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | 70.2 | 131.1 | 135.9 | -71.4 | 158.9 | 0 | 0 | 0 | 117.2 | ||||
| 524 | E | 26.5 | Very low | 26.4 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | -159 | 148.6 | 23.9 | -108 | 169.7 | -172.1 | 0 | 0 | 111.7 | ||||
| 525 | D | 25 | Very low | 26.3 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -82.2 | 130.6 | 165 | 173.8 | 33.4 | 0 | 0 | 0 | 109.6 | ||||
| 526 | A | 27 | Very low | 26.9 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -157.1 | 94.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 527 | G | 25.8 | Very low | 27.5 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -65.5 | 164.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 528 | P | 30.5 | Very low | 26.9 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -131.8 | 127.1 | 135 | 8.8 | 13.5 | 0 | 0 | 0 | 113.4 | ||||
| 529 | T | 25.1 | Very low | 27.1 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | 48.9 | 112.2 | 124.1 | 56.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 530 | A | 25.7 | Very low | 27.1 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -73.9 | 120 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 531 | E | 23.8 | Very low | 27.7 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -113.3 | 123.5 | 159.1 | -81.7 | -172 | 154.8 | 0 | 0 | 109 | ||||
| 532 | W | 25.2 | Very low | 28 | Very low | 262 Ų | 262 | 137.6 Ų | 137.6 | 99% | 0.992 | 81% | 0.807 | S | S | * | * | trans | -95.1 | 115 | 167.3 | -107.1 | 47.5 | 0 | 0 | 0 | 107.8 | ||||
| 533 | S | 26.9 | Very low | 28.7 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -128.6 | 123.5 | 161.7 | -69.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 534 | G | 25.7 | Very low | 29.1 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -99.8 | 139.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 535 | D | 24.6 | Very low | 30.4 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -161.2 | 121.4 | 155.6 | 37.9 | -12.3 | 0 | 0 | 0 | 109.3 | S537 | D535-S537 PolarHBondContact O-N 3.43Š| ||
| 536 | G | 37.3 | Very low | 31.5 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -74.6 | 123.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 537 | S | 35.7 | Very low | 33 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -173.9 | 72.1 | 140.3 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | D535 S539 | D535-S537 PolarHBondContact O-N 3.43Å; S537-S539 PolarHBondContact O-N 3.32Å; S537-S539 VanDerWaalsContact O-N 3.13Å | ||
| 538 | G | 26.7 | Very low | 34.7 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -83.8 | 81.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L540 | G538-L540 PolarHBondContact O-N 3.48Š| ||
| 539 | S | 27.3 | Very low | 35.4 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -70.7 | 104.3 | 158.8 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | S537 R541 | S537-S539 PolarHBondContact O-N 3.32Å; S537-S539 VanDerWaalsContact O-N 3.13Å; S539-R541 VanDerWaalsContact C-N 3.33Å; S539-R541 PolarHBondContact O-N 2.92Å | ||
| 540 | L | 27.4 | Very low | 37.3 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -70.4 | 87 | 179 | -165 | 72.7 | 0 | 0 | 0 | 110 | G538 R542 | G538-L540 PolarHBondContact O-N 3.48Å; L540-R542 PolarHBondContact O-N 2.86Å | ||
| 541 | R | 35.1 | Very low | 38.9 | Very low | 225 Ų | 225 | 133.5 Ų | 133.5 | 85% | 0.849 | 75% | 0.745 | S | S | * | * | trans | -68.1 | 102.1 | 172.5 | -64.8 | -174.3 | 78.7 | -141.8 | 6.2 | 109 | S539 S543 | S539-R541 VanDerWaalsContact C-N 3.33Å; S539-R541 PolarHBondContact O-N 2.92Å; R541-S543 PolarHBondContact O-N 3.32Å | ||
| 542 | R | 34.4 | Very low | 40.7 | Very low | 224 Ų | 224 | 127.5 Ų | 127.5 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | trans | -64.3 | 119.5 | 165.9 | -72.1 | -178.7 | 175.7 | -109.9 | -0.7 | 108.9 | L540 G544 | L540-R542 PolarHBondContact O-N 2.86Å; R542-G544 PolarHBondContact O-N 3.34Å | ||
| 543 | S | 40 | Very low | 42.2 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | trans | -61.5 | 90.8 | 171.7 | 35.8 | 0 | 0 | 0 | 0 | 110.6 | R541 | R541-S543 PolarHBondContact O-N 3.32Š| ||
| 544 | G | 35.4 | Very low | 44.3 | Very low | 44 Ų | 44 | 122 Ų | 122 | 45% | 0.454 | 70% | 0.697 | S | S | . | * | trans | -95.9 | 130.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R542 F546 G547 | R542-G544 PolarHBondContact O-N 3.34Å; G544-F546 PolarHBondContact O-N 3.4Å; G544-G547 PolarHBondContact O-N 3.41Å; G544-G547 VanDerWaalsContact O-N 3.08Å | ||
| 545 | S | 54.4 | Low | 46 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.7 | -7.4 | 170.6 | 40.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 546 | F | 46.9 | Very low | 47.6 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.8 | -24.5 | 173.8 | -74.5 | -82.8 | 0 | 0 | 0 | 114.9 | G544 L549 R550 | G544-F546 PolarHBondContact O-N 3.4Å; F546-L549 PolarHBondContact O-N 2.91Å; F546-R550 WeakPolarHBondContact O-CB 3.5Å; F546-R550 PolarHBondContact O-N 2.91Å |
| 547 | G | 58.6 | Low | 48.5 | Very low | 36 Ų | 36 | 120.2 Ų | 120.2 | 37% | 0.371 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.8 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G544 L549 R550 D551 | G544-G547 PolarHBondContact O-N 3.41Å; G544-G547 VanDerWaalsContact O-N 3.08Å; G547-L549 VanDerWaalsContact C-N 3.3Å; G547-L549 PolarHBondContact O-N 2.86Å; G547-R550 PolarHBondContact O-N 3.25Å; G547-D551 PolarHBondContact O-N 2.98Å |
| 548 | K | 62.2 | Low | 49.8 | Very low | 177 Ų | 177 | 119.8 Ų | 119.8 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.4 | -35.5 | 176.9 | -64.5 | -177.7 | 179.2 | -179.3 | 0 | 112.1 | A552 | K548-A552 VanDerWaalsContact O-CB 3.27Å; K548-A552 WeakPolarHBondContact O-CB 3.37Å; K548-A552 PolarHBondContact O-N 3.04Å |
| 549 | L | 46.1 | Very low | 51.4 | Low | 116 Ų | 116 | 122.3 Ų | 122.3 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.2 | -41.1 | 175.8 | -157.1 | 88.1 | 0 | 0 | 0 | 111.6 | F546 G547 A552 L553 | F546-L549 PolarHBondContact O-N 2.91Å; G547-L549 VanDerWaalsContact C-N 3.3Å; G547-L549 PolarHBondContact O-N 2.86Å; L549-A552 PolarHBondContact O-N 3.37Å; L549-L553 WeakPolarHBondContact O-CB 3.41Å; L549-L553 PolarHBondContact O-N 3.16Å |
| 550 | R | 63.4 | Low | 52.7 | Low | 183 Ų | 183 | 122.3 Ų | 122.3 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.9 | -37.7 | 178 | -164.1 | 178.8 | -171.1 | 176 | 2.3 | 112.2 | F546 G547 L553 R554 | F546-R550 WeakPolarHBondContact O-CB 3.5Å; F546-R550 PolarHBondContact O-N 2.91Å; G547-R550 PolarHBondContact O-N 3.25Å; R550-L553 PolarHBondContact O-N 3.41Å; R550-R554 WeakPolarHBondContact O-CB 3.49Å; R550-R554 PolarHBondContact O-N 2.91Å |
| 551 | D | 59.8 | Low | 54.4 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 42% | 0.417 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.9 | -28.4 | 176.4 | -66.3 | -26.3 | 0 | 0 | 0 | 112.3 | G547 R555 | G547-D551 PolarHBondContact O-N 2.98Å; D551-R555 WeakPolarHBondContact O-CB 3.47Å; D551-R555 VanDerWaalsContact O-CG 3.27Å; D551-R555 WeakPolarHBondContact O-CG 3.31Å; D551-R555 PolarHBondContact O-N 3.25Å; D551-R555 VanDerWaalsContact O-N 3.15Å; D551-R555 PolarHBondContact O-NE 2.96Å |
| 552 | A | 62.4 | Low | 55.6 | Low | 52 Ų | 52 | 115.2 Ų | 115.2 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.7 | -43.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K548 L549 R555 S556 | K548-A552 VanDerWaalsContact O-CB 3.27Å; K548-A552 WeakPolarHBondContact O-CB 3.37Å; K548-A552 PolarHBondContact O-N 3.04Å; L549-A552 PolarHBondContact O-N 3.37Å; A552-R555 PolarHBondContact O-N 3.39Å; A552-S556 PolarHBondContact O-N 3.38Å; A552-S556 PolarHBondContact O-OG 3.42Å |
| 553 | L | 56.3 | Low | 56.8 | Low | 123 Ų | 123 | 113 Ų | 113 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -37.5 | 178.4 | -150.1 | 81.4 | 0 | 0 | 0 | 112 | L549 R550 S556 S557 | L549-L553 WeakPolarHBondContact O-CB 3.41Å; L549-L553 PolarHBondContact O-N 3.16Å; R550-L553 PolarHBondContact O-N 3.41Å; L553-S556 WeakPolarHBondContact CA-OG 3.47Å; L553-S556 PolarHBondContact O-OG 3.41Å; L553-S557 WeakPolarHBondContact O-CB 3.46Å; L553-S557 PolarHBondContact O-N 2.94Å; L553-S557 PolarHBondContact O-OG 3.45Å |
| 554 | R | 69.8 | Low | 57.2 | Low | 134 Ų | 134 | 113.3 Ų | 113.3 | 51% | 0.506 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -48.6 | 173.4 | -172.5 | -177.2 | -66.6 | -114.7 | 1.7 | 110.8 | R550 S556 S557 E558 | R550-R554 WeakPolarHBondContact O-CB 3.49Å; R550-R554 PolarHBondContact O-N 2.91Å; R554-S556 PolarHBondContact O-N 3.45Å; R554-S557 WeakPolarHBondContact CA-OG 3.49Å; R554-S557 PolarHBondContact O-N 3.24Å; R554-S557 PolarHBondContact O-OG 3.22Å; R554-E558 WeakPolarHBondContact O-CG 3.4Å; R554-E558 PolarHBondContact O-N 3.4Å |
| 555 | R | 62.9 | Low | 57.8 | Low | 159 Ų | 159 | 118.4 Ų | 118.4 | 60% | 0.6 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.5 | -38 | 177.4 | -77.2 | -178.2 | -90.1 | -159.4 | -5.6 | 113.3 | D551 A552 M559 | D551-R555 WeakPolarHBondContact O-CB 3.47Å; D551-R555 VanDerWaalsContact O-CG 3.27Å; D551-R555 WeakPolarHBondContact O-CG 3.31Å; D551-R555 PolarHBondContact O-N 3.25Å; D551-R555 VanDerWaalsContact O-N 3.15Å; D551-R555 PolarHBondContact O-NE 2.96Å; A552-R555 PolarHBondContact O-N 3.39Å; R555-M559 WeakPolarHBondContact O-CB 3.47Å; R555-M559 VanDerWaalsContact O-CG 3.3Å; R555-M559 WeakPolarHBondContact O-CG 3.3Å; R555-M559 PolarHBondContact O-N 3Å |
| 556 | S | 57.2 | Low | 57.5 | Low | 65 Ų | 65 | 117.2 Ų | 117.2 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.1 | -36.6 | 174.3 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | A552 L553 R554 L560 | A552-S556 PolarHBondContact O-N 3.38Å; A552-S556 PolarHBondContact O-OG 3.42Å; L553-S556 WeakPolarHBondContact CA-OG 3.47Å; L553-S556 PolarHBondContact O-OG 3.41Å; R554-S556 PolarHBondContact O-N 3.45Å; S556-L560 WeakPolarHBondContact O-CB 3.34Å; S556-L560 PolarHBondContact O-N 3.33Å |
| 557 | S | 55.8 | Low | 57.5 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 41% | 0.413 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.4 | -38.6 | 175.2 | 71 | 0 | 0 | 0 | 0 | 112.2 | L553 R554 L560 V561 | L553-S557 WeakPolarHBondContact O-CB 3.46Å; L553-S557 PolarHBondContact O-N 2.94Å; L553-S557 PolarHBondContact O-OG 3.45Å; R554-S557 WeakPolarHBondContact CA-OG 3.49Å; R554-S557 PolarHBondContact O-N 3.24Å; R554-S557 PolarHBondContact O-OG 3.22Å; S557-L560 PolarHBondContact O-N 3.08Å; S557-V561 WeakPolarHBondContact O-CB 3.34Å; S557-V561 WeakPolarHBondContact O-CG2 3.48Å; S557-V561 PolarHBondContact O-N 2.88Å |
| 558 | E | 64 | Low | 56.4 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.6 | -40.9 | 175.5 | -77.4 | 169.8 | -173.2 | 0 | 0 | 111.7 | R554 L560 V561 K562 | R554-E558 WeakPolarHBondContact O-CG 3.4Å; R554-E558 PolarHBondContact O-N 3.4Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 3.31Å; E558-V561 PolarHBondContact O-N 3.18Å; E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.31Å; E558-K562 PolarHBondContact O-N 3.24Å |
| 559 | M | 59.6 | Low | 55.3 | Low | 136 Ų | 136 | 112.6 Ų | 112.6 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 174.3 | -77.6 | -81.9 | -133.4 | 0 | 0 | 112.8 | R555 K563 | R555-M559 WeakPolarHBondContact O-CB 3.47Å; R555-M559 VanDerWaalsContact O-CG 3.3Å; R555-M559 WeakPolarHBondContact O-CG 3.3Å; R555-M559 PolarHBondContact O-N 3Å; M559-K563 WeakPolarHBondContact O-CB 3.43Å; M559-K563 PolarHBondContact O-N 3.01Å |
| 560 | L | 55.9 | Low | 54.9 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 57% | 0.565 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.9 | -42.6 | 176.6 | -160.7 | 83.1 | 0 | 0 | 0 | 111.1 | S556 S557 E558 K562 K563 L564 | S556-L560 WeakPolarHBondContact O-CB 3.34Å; S556-L560 PolarHBondContact O-N 3.33Å; S557-L560 PolarHBondContact O-N 3.08Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 3.31Å; L560-K562 VanDerWaalsContact C-N 3.33Å; L560-K562 PolarHBondContact O-N 2.94Å; L560-K563 PolarHBondContact O-N 3.05Å; L560-L564 HydrophobicContact CD2-CD1 4.31Å; L560-L564 HydrophobicContact CG-CD1 4.12Å; L560-L564 WeakPolarHBondContact O-CB 3.47Å; L560-L564 VanDerWaalsContact O-CG 3.27Å; L560-L564 WeakPolarHBondContact O-CG 3.4Å; L560-L564 PolarHBondContact O-N 2.87Å |
| 561 | V | 62.6 | Low | 53.6 | Low | 70 Ų | 70 | 116.4 Ų | 116.4 | 42% | 0.424 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.9 | -39.4 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | S557 E558 K563 L564 Q565 | S557-V561 WeakPolarHBondContact O-CB 3.34Å; S557-V561 WeakPolarHBondContact O-CG2 3.48Å; S557-V561 PolarHBondContact O-N 2.88Å; E558-V561 PolarHBondContact O-N 3.18Å; V561-K563 PolarHBondContact O-N 2.94Å; V561-L564 PolarHBondContact O-N 3.27Å; V561-Q565 HydrophobicContact CG1-CG 4.36Å; V561-Q565 VanDerWaalsContact O-CB 3.27Å; V561-Q565 WeakPolarHBondContact O-CB 3.47Å; V561-Q565 WeakPolarHBondContact O-CG 3.4Å; V561-Q565 PolarHBondContact O-N 3.13Å |
| 562 | K | 59.3 | Low | 52.5 | Low | 157 Ų | 157 | 118.2 Ų | 118.2 | 68% | 0.683 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.3 | -30.3 | 176.3 | -151.5 | 174 | -172.2 | 179.8 | 0 | 112.8 | E558 L560 | E558-K562 VanDerWaalsContact O-CB 3.23Å; E558-K562 WeakPolarHBondContact O-CB 3.31Å; E558-K562 PolarHBondContact O-N 3.24Å; L560-K562 VanDerWaalsContact C-N 3.33Å; L560-K562 PolarHBondContact O-N 2.94Å |
| 563 | K | 59.3 | Low | 51.3 | Low | 177 Ų | 177 | 121.7 Ų | 121.7 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.9 | -31.1 | 170.8 | -85.7 | -178.1 | 173 | -179.2 | 0 | 113.3 | M559 L560 V561 | M559-K563 WeakPolarHBondContact O-CB 3.43Å; M559-K563 PolarHBondContact O-N 3.01Å; L560-K563 PolarHBondContact O-N 3.05Å; V561-K563 PolarHBondContact O-N 2.94Å |
| 564 | L | 49.4 | Very low | 50.2 | Low | 138 Ų | 138 | 123.6 Ų | 123.6 | 72% | 0.723 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -82.3 | -23.3 | 176.9 | -71.4 | 166.9 | 0 | 0 | 0 | 112.8 | L560 V561 G566 | L560-L564 HydrophobicContact CD2-CD1 4.31Å; L560-L564 HydrophobicContact CG-CD1 4.12Å; L560-L564 WeakPolarHBondContact O-CB 3.47Å; L560-L564 VanDerWaalsContact O-CG 3.27Å; L560-L564 WeakPolarHBondContact O-CG 3.4Å; L560-L564 PolarHBondContact O-N 2.87Å; V561-L564 PolarHBondContact O-N 3.27Å; L564-G566 VanDerWaalsContact C-N 3.34Å; L564-G566 PolarHBondContact O-N 3.14Å |
| 565 | Q | 47.8 | Very low | 49.1 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 10.6 | 178.4 | -82.3 | 179.7 | -18.6 | 0 | 0 | 115.2 | V561 G567 | V561-Q565 HydrophobicContact CG1-CG 4.36Å; V561-Q565 VanDerWaalsContact O-CB 3.27Å; V561-Q565 WeakPolarHBondContact O-CB 3.47Å; V561-Q565 WeakPolarHBondContact O-CG 3.4Å; V561-Q565 PolarHBondContact O-N 3.13Å; Q565-G567 PolarHBondContact O-N 2.89Å |
| 566 | G | 48.5 | Very low | 47.8 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.6 | 57.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L564 | L564-G566 VanDerWaalsContact C-N 3.34Å; L564-G566 PolarHBondContact O-N 3.14Å |
| 567 | G | 47 | Very low | 46.8 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -148.5 | 98.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q565 | Q565-G567 PolarHBondContact O-N 2.89Š| ||
| 568 | G | 35.4 | Very low | 46 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -179.5 | 143.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 569 | P | 39.5 | Very low | 44.6 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -79.6 | 157.1 | -145.1 | 31.8 | -36.2 | 0 | 0 | 0 | 115.5 | ||||
| 570 | Q | 37.3 | Very low | 43.4 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -73 | 124.8 | -175.9 | -160.5 | 176 | 21.8 | 0 | 0 | 111.5 | ||||
| 571 | E | 35.3 | Very low | 42.2 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -114.6 | 150.6 | 163.8 | -94.7 | -175.5 | 167.8 | 0 | 0 | 110.2 | ||||
| 572 | P | 36.7 | Very low | 40.7 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 165.2 | -155 | 31.8 | -35.3 | 0 | 0 | 0 | 114.6 | ||
| 573 | P | 37.5 | Very low | 39.4 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 131 | -159.3 | 33.1 | -31.5 | 0 | 0 | 0 | 112.4 | ||
| 574 | N | 34.2 | Very low | 38 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -99 | 126.3 | 164.5 | -118.4 | -14.7 | 0 | 0 | 0 | 109.8 | R576 | N574-R576 PolarHBondContact O-N 2.68Š|
| 575 | P | 46.1 | Very low | 37.1 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | trans | -94.1 | 96.2 | -169.6 | 34.9 | -29.5 | 0 | 0 | 0 | 110.3 | ||||
| 576 | R | 35 | Very low | 36.2 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | 179.8 | 104.1 | 154.4 | -104.3 | 159 | 178.3 | -159.4 | -1 | 110.2 | N574 | N574-R576 PolarHBondContact O-N 2.68Š| ||
| 577 | M | 37.1 | Very low | 35.2 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 93% | 0.926 | 84% | 0.838 | S | S | * | * | trans | 156.3 | 120.9 | 136.8 | -84.1 | 165.6 | 69.2 | 0 | 0 | 109.5 | ||||
| 578 | K | 38.8 | Very low | 34.4 | Very low | 212 Ų | 212 | 159.8 Ų | 159.8 | 92% | 0.922 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 125.1 | -175.8 | -63.1 | 174.8 | 177.7 | 179 | 0 | 109.7 | ||
| 579 | R | 34.1 | Very low | 34.1 | Very low | 242 Ų | 242 | 161.5 Ų | 161.5 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 127.1 | 165.6 | -78.2 | -176.2 | -163.1 | 159.4 | 6.8 | 109.3 | ||
| 580 | A | 33.7 | Very low | 33.6 | Very low | 102 Ų | 102 | 161 Ų | 161 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 124.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 581 | S | 32.5 | Very low | 33.3 | Very low | 112 Ų | 112 | 160.4 Ų | 160.4 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 129.6 | 174.2 | -42.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 582 | S | 30.7 | Very low | 33 | Very low | 109 Ų | 109 | 160.8 Ų | 160.8 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | trans | -169 | 134.8 | 145.1 | 8.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 583 | L | 31.9 | Very low | 33 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | 82.8 | 76.1 | 160 | -59.6 | 169.5 | 0 | 0 | 0 | 118 | ||||
| 584 | N | 29.8 | Very low | 32.5 | Very low | 157 Ų | 157 | 160.9 Ų | 160.9 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | trans | -115.6 | 107.7 | 143.6 | -94.6 | -20.5 | 0 | 0 | 0 | 108 | ||||
| 585 | F | 30.9 | Very low | 32.4 | Very low | 201 Ų | 201 | 161.8 Ų | 161.8 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | trans | -144.8 | 136.5 | 156.3 | -102.8 | -82.5 | 0 | 0 | 0 | 108.6 | ||||
| 586 | L | 28.7 | Very low | 32.2 | Very low | 162 Ų | 162 | 162.3 Ų | 162.3 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | trans | 86 | 80.9 | 168.6 | -59.7 | 156.7 | 0 | 0 | 0 | 117.6 | ||||
| 587 | N | 27.9 | Very low | 31.8 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | -171.3 | 110.8 | 110.9 | -124.1 | -8.9 | 0 | 0 | 0 | 111 | |||||
| 588 | K | 29.8 | Very low | 31.3 | Very low | 207 Ų | 207 | 148.9 Ų | 148.9 | 90% | 0.9 | 83% | 0.826 | S | S | * | * | trans | -137.2 | 106.9 | 161.4 | -112.9 | -173 | 179.7 | -175.4 | 0 | 108.3 | ||||
| 589 | S | 28.3 | Very low | 30.9 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -89.2 | 128.1 | 164.1 | 41.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 590 | V | 29.9 | Very low | 30.6 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | trans | -151.5 | 104.2 | 163.4 | -178 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 591 | E | 29.6 | Very low | 30.5 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | 54.2 | 122 | 96.2 | -83.5 | -170.1 | 168.8 | 0 | 0 | 115 | |||||
| 592 | E | 28.8 | Very low | 30.5 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -59.5 | 157.8 | 171.6 | -63.8 | -174.3 | 131.6 | 0 | 0 | 112 | ||||
| 593 | P | 36.8 | Very low | 30.6 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | -149.4 | 157.9 | 93.3 | 35.6 | -16.6 | 0 | 0 | 0 | 116.4 | |||||
| 594 | T | 28.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | 64.9 | 122.1 | 146.7 | 46.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 595 | Q | 31 | Very low | 30.8 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -55.4 | 173.2 | 161.7 | -78 | -157.9 | 8.3 | 0 | 0 | 114.3 | ||||
| 596 | P | 42.2 | Very low | 30.7 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -139.9 | 172.6 | 18 | 37.4 | -16.7 | 0 | 0 | 0 | 117 | ||||
| 597 | G | 27.3 | Very low | 31 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 139.6 | 113.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 598 | G | 26.6 | Very low | 31 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | 90.4 | 96.4 | 128.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 599 | T | 28.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 129 Ų | 129 | 95% | 0.945 | 78% | 0.776 | S | S | * | * | 60.8 | 126.6 | 126.6 | 58.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 600 | G | 28.8 | Very low | 31.4 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | 138.8 | 87.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 601 | L | 32.4 | Very low | 31.7 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | 80 | 101.3 | 107.8 | -72 | 168.7 | 0 | 0 | 0 | 113.1 | |||||
| 602 | S | 31.5 | Very low | 32 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | 68.6 | 127.8 | 102.8 | 67.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 603 | D | 32.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | cis | -179.4 | 147.1 | 41.7 | -126.2 | -24.5 | 0 | 0 | 0 | 108.6 | ||||
| 604 | S | 33.1 | Very low | 32.1 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 59.7 | 147.6 | 139.2 | 81.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 605 | R | 34 | Very low | 32.4 | Very low | 214 Ų | 214 | 128.5 Ų | 128.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | cis | -173.8 | 124.7 | 13.9 | -116.9 | 162.1 | -174.8 | -176.7 | 1.8 | 104.5 | ||||
| 606 | T | 28.4 | Very low | 32.6 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | 65.5 | 139.6 | 102 | 66.8 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 607 | L | 33.9 | Very low | 32.4 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | 96.2 | 105.7 | 155.3 | -49.9 | 179.4 | 0 | 0 | 0 | 115.6 | ||||
| 608 | S | 28.7 | Very low | 33 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 80.4 | 119.6 | 61.6 | -80 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 609 | S | 32.2 | Very low | 33.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 52.8 | 125.6 | 140.9 | 67.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 610 | S | 33.8 | Very low | 34.5 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | -153.6 | 127.9 | 123.7 | 58 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 611 | S | 36.3 | Very low | 35.6 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 143.9 | 159.4 | 59 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 612 | M | 35.8 | Very low | 35.7 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -139.5 | 105.6 | 149.1 | -85.9 | -156.5 | 151.8 | 0 | 0 | 110.1 | ||||
| 613 | D | 31.8 | Very low | 35.9 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -65.2 | 140.8 | 154.1 | -89.6 | -46.4 | 0 | 0 | 0 | 110.1 | ||||
| 614 | L | 36.6 | Very low | 36.1 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 94% | 0.937 | 83% | 0.829 | S | S | * | * | trans | -120.6 | 111.3 | 158.4 | -77.4 | 171.8 | 0 | 0 | 0 | 108 | ||||
| 615 | S | 34.4 | Very low | 36.3 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 84% | 0.838 | S | S | * | * | trans | -116.9 | 143.6 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 616 | R | 35.8 | Very low | 36.4 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | trans | 77.9 | 145 | 158.1 | -70 | -174.8 | 174 | -156.3 | 0.7 | 117 | ||||
| 617 | R | 38.2 | Very low | 36.9 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 75% | 0.747 | 85% | 0.849 | S | S | * | * | cis | -164.6 | 148.5 | 9.8 | -128.5 | 171.1 | -178.1 | -148.9 | -2.1 | 109.5 | ||||
| 618 | S | 39.9 | Very low | 37.1 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 85% | 0.851 | S | S | * | * | trans | -59.3 | 143 | 155.4 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 619 | S | 43.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 81% | 0.811 | 86% | 0.859 | S | S | * | * | 160.1 | 130.6 | 106.7 | 56.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 620 | L | 42.9 | Very low | 38.1 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 86% | 0.864 | S | S | * | * | trans | -64.7 | 140.3 | 162.4 | -81.4 | 125.4 | 0 | 0 | 0 | 111.1 | ||||
| 621 | V | 51.1 | Low | 38.5 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 87% | 0.867 | 87% | 0.866 | S | S | * | * | trans | 36.1 | 121.8 | 144.6 | -169.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 622 | G | 35.6 | Very low | 38.7 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 100% | 1.546 | 88% | 0.878 | S | S | * | * | trans | 141.2 | 0 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 622 of 622 residues in 1089.3 ms
(Link to these results)