| 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 | 51.1 | Low | 77.8 | Confident | 246 Ų | 246 | 118.3 Ų | 118.3 | 100% | 1.212 | 64% | 0.635 | S | S | * | * | 0 | 93.6 | 0 | -67.4 | -168.3 | -72 | 0 | 0 | 107.8 | C3 | M1-C3 PolarHBondContact O-N 3.31Š| |||
| 2 | S | 54.8 | Low | 79.1 | Confident | 105 Ų | 105 | 112.8 Ų | 112.8 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | trans | -77.1 | 111.4 | 178.7 | 38.5 | 0 | 0 | 0 | 0 | 109.1 | T4 | S2-T4 PolarHBondContact O-N 2.76Š| ||
| 3 | C | 58.5 | Low | 80.1 | Confident | 102 Ų | 102 | 114.7 Ų | 114.7 | 69% | 0.689 | 62% | 0.617 | S | S | * | * | trans | -66.6 | 112.9 | 167.3 | -110.3 | 0 | 0 | 0 | 0 | 108 | M1 | M1-C3 PolarHBondContact O-N 3.31Š| ||
| 4 | T | 78.9 | Confident | 81.1 | Confident | 63 Ų | 63 | 111.4 Ų | 111.4 | 39% | 0.387 | 60% | 0.603 | S | S | . | * | trans | -82.5 | 142.2 | 172.1 | 50.3 | 0 | 0 | 0 | 0 | 109 | S2 E6 K7 | S2-T4 PolarHBondContact O-N 2.76Å; T4-E6 PolarHBondContact O-N 3Å; T4-K7 PolarHBondContact O-N 2.77Å | ||
| 5 | I | 81.9 | Confident | 82 | Confident | 133 Ų | 133 | 111.2 Ų | 111.2 | 68% | 0.682 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -52 | -32.4 | 179.4 | -71.3 | 166.9 | 0 | 0 | 0 | 111.5 | K7 I8 L9 | I5-K7 PolarHBondContact O-N 3.06Å; I5-I8 PolarHBondContact O-N 3.06Å; I5-L9 HydrophobicContact CG2-CD1 3.89Å; I5-L9 PolarHBondContact O-N 3.23Å |
| 6 | E | 83.2 | Confident | 82.9 | Confident | 151 Ų | 151 | 110.1 Ų | 110.1 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.7 | -41.2 | 175.6 | -66.1 | -179.3 | 163.4 | 0 | 0 | 113.6 | T4 L9 T10 | T4-E6 PolarHBondContact O-N 3Å; E6-L9 WeakPolarHBondContact O-CB 3.39Å; E6-L9 PolarHBondContact O-N 3.19Å; E6-T10 WeakPolarHBondContact O-CG2 3.36Å; E6-T10 PolarHBondContact O-N 3.19Å; E6-T10 PolarHBondContact O-OG1 2.77Å |
| 7 | K | 86.6 | Confident | 83.5 | Confident | 125 Ų | 125 | 110.9 Ų | 110.9 | 54% | 0.543 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67 | -39.7 | 177.8 | -71.3 | -178 | 178.1 | -178.6 | 0 | 111.8 | T4 I5 L9 T10 D11 | T4-K7 PolarHBondContact O-N 2.77Å; I5-K7 PolarHBondContact O-N 3.06Å; K7-L9 VanDerWaalsContact C-N 3.29Å; K7-L9 PolarHBondContact O-N 3.27Å; K7-T10 WeakPolarHBondContact CA-OG1 3.28Å; K7-T10 PolarHBondContact O-N 3.15Å; K7-T10 PolarHBondContact O-OG1 2.95Å; K7-D11 WeakPolarHBondContact O-CB 3.37Å; K7-D11 PolarHBondContact O-N 3.06Å |
| 8 | I | 88.3 | Confident | 84.2 | Confident | 101 Ų | 101 | 113.9 Ų | 113.9 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.4 | -39.4 | 175.7 | -59.4 | 174.2 | 0 | 0 | 0 | 110 | I5 D11 A12 | I5-I8 PolarHBondContact O-N 3.06Å; I8-D11 PolarHBondContact O-N 3Å; I8-A12 VanDerWaalsContact O-CB 3.26Å; I8-A12 WeakPolarHBondContact O-CB 3.32Å; I8-A12 PolarHBondContact O-N 3.11Å |
| 9 | L | 88.6 | Confident | 84.8 | Confident | 97 Ų | 97 | 113 Ų | 113 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -39.8 | 176.1 | -94.7 | 157.2 | 0 | 0 | 0 | 112.9 | I5 E6 K7 K13 | I5-L9 HydrophobicContact CG2-CD1 3.89Å; I5-L9 PolarHBondContact O-N 3.23Å; E6-L9 WeakPolarHBondContact O-CB 3.39Å; E6-L9 PolarHBondContact O-N 3.19Å; K7-L9 VanDerWaalsContact C-N 3.29Å; K7-L9 PolarHBondContact O-N 3.27Å; L9-K13 WeakPolarHBondContact O-CG 3.38Å; L9-K13 PolarHBondContact O-N 3.3Å; L9-K13 VanDerWaalsContact O-N 3.08Å |
| 10 | T | 90.9 | Very high | 85.4 | Confident | 74 Ų | 74 | 116.4 Ų | 116.4 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.3 | -44.1 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | E6 K7 A12 K13 T14 | E6-T10 WeakPolarHBondContact O-CG2 3.36Å; E6-T10 PolarHBondContact O-N 3.19Å; E6-T10 PolarHBondContact O-OG1 2.77Å; K7-T10 WeakPolarHBondContact CA-OG1 3.28Å; K7-T10 PolarHBondContact O-N 3.15Å; K7-T10 PolarHBondContact O-OG1 2.95Å; T10-A12 PolarHBondContact O-N 2.97Å; T10-K13 PolarHBondContact O-N 3.3Å; T10-T14 WeakPolarHBondContact O-CG2 3.37Å; T10-T14 PolarHBondContact O-N 2.92Å; T10-T14 PolarHBondContact O-OG1 3.5Å |
| 11 | D | 93.1 | Very high | 85.9 | Confident | 104 Ų | 104 | 117.4 Ų | 117.4 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64 | -42.6 | 179.4 | -68.3 | -5.1 | 0 | 0 | 0 | 110.7 | K7 I8 K13 T14 L15 | K7-D11 WeakPolarHBondContact O-CB 3.37Å; K7-D11 PolarHBondContact O-N 3.06Å; I8-D11 PolarHBondContact O-N 3Å; D11-K13 VanDerWaalsContact C-N 3.34Å; D11-K13 PolarHBondContact O-N 3.41Å; D11-T14 PolarHBondContact O-N 3Å; D11-T14 PolarHBondContact O-OG1 2.91Å; D11-L15 WeakPolarHBondContact O-CB 3.43Å; D11-L15 PolarHBondContact O-N 3.37Å |
| 12 | A | 93.6 | Very high | 88 | Confident | 53 Ų | 53 | 111.8 Ų | 111.8 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.6 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I8 T10 L15 L16 | I8-A12 VanDerWaalsContact O-CB 3.26Å; I8-A12 WeakPolarHBondContact O-CB 3.32Å; I8-A12 PolarHBondContact O-N 3.11Å; T10-A12 PolarHBondContact O-N 2.97Å; A12-L15 PolarHBondContact O-N 2.97Å; A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 PolarHBondContact O-N 2.94Å |
| 13 | K | 92.4 | Very high | 90 | Very high | 137 Ų | 137 | 111.9 Ų | 111.9 | 60% | 0.596 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.7 | -47 | 174.9 | -77.8 | 173.7 | 177.8 | -179.9 | 0 | 111.8 | L9 T10 D11 L15 L16 E17 | L9-K13 WeakPolarHBondContact O-CG 3.38Å; L9-K13 PolarHBondContact O-N 3.3Å; L9-K13 VanDerWaalsContact O-N 3.08Å; T10-K13 PolarHBondContact O-N 3.3Å; D11-K13 VanDerWaalsContact C-N 3.34Å; D11-K13 PolarHBondContact O-N 3.41Å; K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.86Å; K13-L16 PolarHBondContact O-N 3.25Å; K13-L16 VanDerWaalsContact O-N 3.17Å; K13-E17 PolarHBondContact O-N 2.91Å |
| 14 | T | 93.4 | Very high | 91.7 | Very high | 69 Ų | 69 | 110 Ų | 110 | 42% | 0.423 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -36.9 | 177.9 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | T10 D11 L16 E17 R18 | T10-T14 WeakPolarHBondContact O-CG2 3.37Å; T10-T14 PolarHBondContact O-N 2.92Å; T10-T14 PolarHBondContact O-OG1 3.5Å; D11-T14 PolarHBondContact O-N 3Å; D11-T14 PolarHBondContact O-OG1 2.91Å; T14-L16 VanDerWaalsContact C-N 3.34Å; T14-E17 PolarHBondContact O-N 2.81Å; T14-R18 VanDerWaalsContact O-CG 3.29Å; T14-R18 WeakPolarHBondContact O-CG 3.41Å; T14-R18 PolarHBondContact O-N 3.4Å |
| 15 | L | 95.3 | Very high | 92.5 | Very high | 108 Ų | 108 | 109.6 Ų | 109.6 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -41 | 174.4 | -170.2 | 75.5 | 0 | 0 | 0 | 111.2 | D11 A12 K13 R18 L19 | D11-L15 WeakPolarHBondContact O-CB 3.43Å; D11-L15 PolarHBondContact O-N 3.37Å; A12-L15 PolarHBondContact O-N 2.97Å; K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.86Å; L15-R18 PolarHBondContact O-N 3.36Å; L15-L19 HydrophobicContact CG-CD1 4.27Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 2.88Å |
| 16 | L | 95.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 105.8 Ų | 105.8 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 179.7 | -163.1 | 146.7 | 0 | 0 | 0 | 112 | A12 K13 T14 L19 R20 | A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 PolarHBondContact O-N 2.94Å; K13-L16 PolarHBondContact O-N 3.25Å; K13-L16 VanDerWaalsContact O-N 3.17Å; T14-L16 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.33Å; L16-R20 HydrophobicContact CD2-CG 4.48Å; L16-R20 WeakPolarHBondContact O-CG 3.48Å; L16-R20 PolarHBondContact O-N 2.98Å |
| 17 | E | 94.2 | Very high | 93.7 | Very high | 123 Ų | 123 | 105.5 Ų | 105.5 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 171.4 | -76.3 | 173.4 | 175.8 | 0 | 0 | 111.3 | K13 T14 L19 R20 E21 | K13-E17 PolarHBondContact O-N 2.91Å; T14-E17 PolarHBondContact O-N 2.81Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.36Å; E17-R20 WeakPolarHBondContact O-CB 3.35Å; E17-R20 PolarHBondContact O-N 3.46Å; E17-E21 PolarHBondContact O-N 3.05Å |
| 18 | R | 96 | Very high | 94.2 | Very high | 165 Ų | 165 | 102.2 Ų | 102.2 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 176.4 | -71.3 | 173.9 | 109.6 | 169.2 | 5.3 | 112.6 | T14 L15 R20 E21 H22 | T14-R18 VanDerWaalsContact O-CG 3.29Å; T14-R18 WeakPolarHBondContact O-CG 3.41Å; T14-R18 PolarHBondContact O-N 3.4Å; L15-R18 PolarHBondContact O-N 3.36Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-E21 PolarHBondContact O-N 3.1Å; R18-H22 WeakPolarHBondContact O-CB 3.26Å; R18-H22 PolarHBondContact O-CD2 2.88Å; R18-H22 PolarHBondContact O-N 3Å |
| 19 | L | 95.8 | Very high | 94.5 | Very high | 97 Ų | 97 | 103 Ų | 103 | 51% | 0.508 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176 | -78.8 | 169.2 | 0 | 0 | 0 | 111.4 | L15 L16 E17 H22 D23 | L15-L19 HydrophobicContact CG-CD1 4.27Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3.33Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.36Å; L19-H22 PolarHBondContact O-N 2.85Å; L19-D23 PolarHBondContact O-N 3.35Å |
| 20 | R | 95.8 | Very high | 94.9 | Very high | 180 Ų | 180 | 102.7 Ų | 102.7 | 68% | 0.679 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 174.9 | -80.3 | -178.4 | 164.3 | 174.4 | -4.4 | 113 | L16 E17 R18 H22 D23 A24 | L16-R20 HydrophobicContact CD2-CG 4.48Å; L16-R20 WeakPolarHBondContact O-CG 3.48Å; L16-R20 PolarHBondContact O-N 2.98Å; E17-R20 WeakPolarHBondContact O-CB 3.35Å; E17-R20 PolarHBondContact O-N 3.46Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R20-H22 VanDerWaalsContact C-N 3.34Å; R20-D23 PolarHBondContact O-N 3.45Å; R20-A24 WeakPolarHBondContact O-CB 3.38Å; R20-A24 PolarHBondContact O-N 2.95Å |
| 21 | E | 95.5 | Very high | 95.1 | Very high | 138 Ų | 138 | 104.6 Ų | 104.6 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 175.3 | -71 | 175.7 | 175.2 | 0 | 0 | 111.6 | E17 R18 A24 A25 | E17-E21 PolarHBondContact O-N 3.05Å; R18-E21 PolarHBondContact O-N 3.1Å; E21-A24 PolarHBondContact O-N 3.15Å; E21-A25 WeakPolarHBondContact O-CB 3.48Å; E21-A25 PolarHBondContact O-N 3.49Å |
| 22 | H | 96.4 | Very high | 95.3 | Very high | 128 Ų | 128 | 105.7 Ų | 105.7 | 59% | 0.593 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.7 | -42.3 | 174.9 | -83.1 | -63.3 | 0 | 0 | 0 | 112.6 | R18 L19 R20 A25 A26 | R18-H22 WeakPolarHBondContact O-CB 3.26Å; R18-H22 PolarHBondContact O-CD2 2.88Å; R18-H22 PolarHBondContact O-N 3Å; L19-H22 PolarHBondContact O-N 2.85Å; R20-H22 VanDerWaalsContact C-N 3.34Å; H22-A25 PolarHBondContact O-N 2.85Å; H22-A26 WeakPolarHBondContact O-CB 3.37Å; H22-A26 PolarHBondContact O-N 3.33Å |
| 23 | D | 95.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 105.7 Ų | 105.7 | 58% | 0.578 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 175.3 | -81.1 | -11.1 | 0 | 0 | 0 | 111 | L19 R20 A25 A26 E27 | L19-D23 PolarHBondContact O-N 3.35Å; R20-D23 PolarHBondContact O-N 3.45Å; D23-A25 VanDerWaalsContact C-N 3.35Å; D23-A25 PolarHBondContact O-N 2.72Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 2.85Å; D23-E27 PolarHBondContact O-N 2.9Å |
| 24 | A | 94.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 101 Ų | 101 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R20 E21 E27 S28 | R20-A24 WeakPolarHBondContact O-CB 3.38Å; R20-A24 PolarHBondContact O-N 2.95Å; E21-A24 PolarHBondContact O-N 3.15Å; A24-E27 PolarHBondContact O-N 2.92Å; A24-S28 PolarHBondContact O-N 3.1Å; A24-S28 VanDerWaalsContact O-N 3.12Å |
| 25 | A | 95.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E21 H22 D23 S28 L29 | E21-A25 WeakPolarHBondContact O-CB 3.48Å; E21-A25 PolarHBondContact O-N 3.49Å; H22-A25 PolarHBondContact O-N 2.85Å; D23-A25 VanDerWaalsContact C-N 3.35Å; D23-A25 PolarHBondContact O-N 2.72Å; A25-S28 PolarHBondContact O-N 3.37Å; A25-L29 PolarHBondContact O-N 2.94Å |
| 26 | A | 96 | Very high | 95.5 | Very high | 52 Ų | 52 | 99.8 Ų | 99.8 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H22 D23 S28 L29 V30 | H22-A26 WeakPolarHBondContact O-CB 3.37Å; H22-A26 PolarHBondContact O-N 3.33Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 2.85Å; A26-S28 PolarHBondContact O-N 3.22Å; A26-L29 WeakPolarHBondContact O-CB 3.49Å; A26-L29 PolarHBondContact O-N 3.4Å; A26-L29 VanDerWaalsContact O-N 3.14Å; A26-V30 WeakPolarHBondContact O-CG2 3.36Å; A26-V30 PolarHBondContact O-N 3.49Å |
| 27 | E | 95.3 | Very high | 95.4 | Very high | 145 Ų | 145 | 102.1 Ų | 102.1 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -44.1 | 173.8 | -73.9 | -164.2 | 168 | 0 | 0 | 111.9 | D23 A24 L29 V30 D31 | D23-E27 PolarHBondContact O-N 2.9Å; A24-E27 PolarHBondContact O-N 2.92Å; E27-L29 PolarHBondContact O-N 3.23Å; E27-V30 WeakPolarHBondContact O-CB 3.34Å; E27-V30 PolarHBondContact O-N 2.88Å; E27-V30 VanDerWaalsContact O-N 3.13Å; E27-D31 PolarHBondContact O-N 2.91Å |
| 28 | S | 95.6 | Very high | 95.4 | Very high | 57 Ų | 57 | 104.9 Ų | 104.9 | 40% | 0.399 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 174.8 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | A24 A25 A26 D31 Q32 | A24-S28 PolarHBondContact O-N 3.1Å; A24-S28 VanDerWaalsContact O-N 3.12Å; A25-S28 PolarHBondContact O-N 3.37Å; A26-S28 PolarHBondContact O-N 3.22Å; S28-D31 PolarHBondContact O-N 3.4Å; S28-Q32 VanDerWaalsContact O-CG 3.28Å; S28-Q32 WeakPolarHBondContact O-CG 3.44Å; S28-Q32 PolarHBondContact O-N 2.99Å |
| 29 | L | 95.9 | Very high | 95 | Very high | 117 Ų | 117 | 105.4 Ų | 105.4 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.3 | -35.4 | 178.1 | -144.1 | 137.8 | 0 | 0 | 0 | 111.6 | A25 A26 E27 Q32 S33 | A25-L29 PolarHBondContact O-N 2.94Å; A26-L29 WeakPolarHBondContact O-CB 3.49Å; A26-L29 PolarHBondContact O-N 3.4Å; A26-L29 VanDerWaalsContact O-N 3.14Å; E27-L29 PolarHBondContact O-N 3.23Å; L29-Q32 PolarHBondContact O-N 3.06Å; L29-S33 WeakPolarHBondContact O-CB 3.24Å; L29-S33 PolarHBondContact O-N 3.13Å |
| 30 | V | 96.5 | Very high | 94.6 | Very high | 91 Ų | 91 | 104.8 Ų | 104.8 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.4 | -47.4 | 171.2 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | A26 E27 Q32 S33 A34 | A26-V30 WeakPolarHBondContact O-CG2 3.36Å; A26-V30 PolarHBondContact O-N 3.49Å; E27-V30 WeakPolarHBondContact O-CB 3.34Å; E27-V30 PolarHBondContact O-N 2.88Å; E27-V30 VanDerWaalsContact O-N 3.13Å; V30-Q32 VanDerWaalsContact C-N 3.34Å; V30-Q32 PolarHBondContact O-N 3.33Å; V30-S33 PolarHBondContact O-N 3.21Å; V30-S33 VanDerWaalsContact O-N 3.13Å; V30-S33 PolarHBondContact O-OG 2.93Å; V30-A34 WeakPolarHBondContact O-CB 3.36Å; V30-A34 PolarHBondContact O-N 3.49Å |
| 31 | D | 95.9 | Very high | 94.1 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -42.6 | 177.2 | -79.1 | -25.6 | 0 | 0 | 0 | 112.4 | E27 S28 S33 A34 A35 | E27-D31 PolarHBondContact O-N 2.91Å; S28-D31 PolarHBondContact O-N 3.4Å; D31-S33 VanDerWaalsContact C-N 3.35Å; D31-A34 PolarHBondContact O-N 3.43Å; D31-A35 WeakPolarHBondContact O-CB 3.33Å; D31-A35 PolarHBondContact O-N 3.4Å |
| 32 | Q | 96.3 | Very high | 93.4 | Very high | 127 Ų | 127 | 94.5 Ų | 94.5 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 174.1 | -72.9 | 176.1 | 17.3 | 0 | 0 | 111.6 | S28 L29 V30 A34 A35 L36 | S28-Q32 VanDerWaalsContact O-CG 3.28Å; S28-Q32 WeakPolarHBondContact O-CG 3.44Å; S28-Q32 PolarHBondContact O-N 2.99Å; L29-Q32 PolarHBondContact O-N 3.06Å; V30-Q32 VanDerWaalsContact C-N 3.34Å; V30-Q32 PolarHBondContact O-N 3.33Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.96Å; Q32-A35 PolarHBondContact O-N 3.34Å; Q32-L36 WeakPolarHBondContact O-CB 3.4Å; Q32-L36 PolarHBondContact O-N 3.3Å |
| 33 | S | 94.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 94.4 Ų | 94.4 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 177.7 | 82.7 | 0 | 0 | 0 | 0 | 112.3 | L29 V30 D31 L36 H37 | L29-S33 WeakPolarHBondContact O-CB 3.24Å; L29-S33 PolarHBondContact O-N 3.13Å; V30-S33 PolarHBondContact O-N 3.21Å; V30-S33 VanDerWaalsContact O-N 3.13Å; V30-S33 PolarHBondContact O-OG 2.93Å; D31-S33 VanDerWaalsContact C-N 3.35Å; S33-L36 PolarHBondContact O-N 3.02Å; S33-H37 WeakPolarHBondContact O-CB 3.42Å; S33-H37 PolarHBondContact O-N 2.97Å; S33-H37 PolarHBondContact O-ND1 2.89Å; S33-H37 VanDerWaalsContact O-ND1 3.16Å |
| 34 | A | 94.5 | Very high | 91.5 | Very high | 38 Ų | 38 | 98.5 Ų | 98.5 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V30 D31 Q32 H37 R38 | V30-A34 WeakPolarHBondContact O-CB 3.36Å; V30-A34 PolarHBondContact O-N 3.49Å; D31-A34 PolarHBondContact O-N 3.43Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.96Å; A34-H37 PolarHBondContact O-N 3.45Å; A34-R38 WeakPolarHBondContact O-CG 3.47Å; A34-R38 PolarHBondContact O-N 3Å |
| 35 | A | 94.6 | Very high | 90.4 | Very high | 48 Ų | 48 | 102 Ų | 102 | 40% | 0.397 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D31 Q32 R38 R39 | D31-A35 WeakPolarHBondContact O-CB 3.33Å; D31-A35 PolarHBondContact O-N 3.4Å; Q32-A35 PolarHBondContact O-N 3.34Å; A35-R38 PolarHBondContact O-N 3.25Å; A35-R39 PolarHBondContact O-N 3.01Å |
| 36 | L | 95.3 | Very high | 89 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.9 | -173.7 | 68.7 | 0 | 0 | 0 | 111.5 | Q32 S33 R38 R39 V40 | Q32-L36 WeakPolarHBondContact O-CB 3.4Å; Q32-L36 PolarHBondContact O-N 3.3Å; S33-L36 PolarHBondContact O-N 3.02Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.47Å; L36-R39 WeakPolarHBondContact O-CB 3.39Å; L36-R39 PolarHBondContact O-N 3.19Å; L36-R39 VanDerWaalsContact O-N 3.1Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.33Å |
| 37 | H | 94.2 | Very high | 87.2 | Confident | 142 Ų | 142 | 102 Ų | 102 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.5 | -45.8 | 176 | -96.9 | 83.2 | 0 | 0 | 0 | 112.1 | S33 A34 R39 V40 A41 | S33-H37 WeakPolarHBondContact O-CB 3.42Å; S33-H37 PolarHBondContact O-N 2.97Å; S33-H37 PolarHBondContact O-ND1 2.89Å; S33-H37 VanDerWaalsContact O-ND1 3.16Å; A34-H37 PolarHBondContact O-N 3.45Å; H37-R39 VanDerWaalsContact C-N 3.3Å; H37-R39 PolarHBondContact O-N 3.39Å; H37-V40 PolarHBondContact O-N 3.4Å; H37-A41 WeakPolarHBondContact O-CB 3.41Å; H37-A41 PolarHBondContact O-N 2.9Å |
| 38 | R | 93.1 | Very high | 85.5 | Confident | 182 Ų | 182 | 99 Ų | 99 | 69% | 0.687 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60 | -40.5 | 175 | -75.5 | -175.6 | -71.5 | -152 | -1.3 | 111.9 | A34 A35 L36 A41 A42 | A34-R38 WeakPolarHBondContact O-CG 3.47Å; A34-R38 PolarHBondContact O-N 3Å; A35-R38 PolarHBondContact O-N 3.25Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.47Å; R38-A41 PolarHBondContact O-N 3.32Å; R38-A42 WeakPolarHBondContact O-CB 3.2Å; R38-A42 PolarHBondContact O-N 3.46Å |
| 39 | R | 89.1 | Confident | 83.7 | Confident | 175 Ų | 175 | 100.2 Ų | 100.2 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 178.2 | -153.6 | 175.6 | 103 | 166.9 | 5.4 | 112.4 | A35 L36 H37 A42 M43 | A35-R39 PolarHBondContact O-N 3.01Å; L36-R39 WeakPolarHBondContact O-CB 3.39Å; L36-R39 PolarHBondContact O-N 3.19Å; L36-R39 VanDerWaalsContact O-N 3.1Å; H37-R39 VanDerWaalsContact C-N 3.3Å; H37-R39 PolarHBondContact O-N 3.39Å; R39-A42 PolarHBondContact O-N 3.49Å; R39-M43 WeakPolarHBondContact O-CG 3.34Å; R39-M43 PolarHBondContact O-N 2.9Å |
| 40 | V | 87.2 | Confident | 81.9 | Confident | 85 Ų | 85 | 98.2 Ų | 98.2 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L36 H37 M43 R44 | L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.33Å; H37-V40 PolarHBondContact O-N 3.4Å; V40-M43 PolarHBondContact O-N 3.22Å; V40-R44 WeakPolarHBondContact O-CB 3.3Å; V40-R44 PolarHBondContact O-N 2.99Å |
| 41 | A | 84.2 | Confident | 80.3 | Confident | 46 Ų | 46 | 97.7 Ų | 97.7 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H37 R38 M43 R44 E45 | H37-A41 WeakPolarHBondContact O-CB 3.41Å; H37-A41 PolarHBondContact O-N 2.9Å; R38-A41 PolarHBondContact O-N 3.32Å; A41-M43 PolarHBondContact O-N 2.89Å; A41-R44 WeakPolarHBondContact O-CB 3.4Å; A41-R44 PolarHBondContact O-N 2.98Å; A41-R44 VanDerWaalsContact O-N 3.14Å; A41-E45 WeakPolarHBondContact O-CG 3.44Å; A41-E45 PolarHBondContact O-N 3.34Å |
| 42 | A | 80.6 | Confident | 78.6 | Confident | 55 Ų | 55 | 98.5 Ų | 98.5 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | R38 R39 R44 E45 A46 | R38-A42 WeakPolarHBondContact O-CB 3.2Å; R38-A42 PolarHBondContact O-N 3.46Å; R39-A42 PolarHBondContact O-N 3.49Å; A42-R44 VanDerWaalsContact C-N 3.35Å; A42-E45 PolarHBondContact O-N 3Å; A42-A46 VanDerWaalsContact O-CB 3.32Å; A42-A46 WeakPolarHBondContact O-CB 3.22Å; A42-A46 PolarHBondContact O-N 3.23Å |
| 43 | M | 75.4 | Confident | 76.9 | Confident | 127 Ų | 127 | 100 Ų | 100 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.2 | -38.2 | 174.5 | -75 | 179.4 | 62.5 | 0 | 0 | 112.6 | R39 V40 A41 G47 | R39-M43 WeakPolarHBondContact O-CG 3.34Å; R39-M43 PolarHBondContact O-N 2.9Å; V40-M43 PolarHBondContact O-N 3.22Å; A41-M43 PolarHBondContact O-N 2.89Å; M43-G47 PolarHBondContact O-N 2.92Å |
| 44 | R | 77.5 | Confident | 75.3 | Confident | 194 Ų | 194 | 99.7 Ų | 99.7 | 73% | 0.732 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -44.8 | 176.4 | -174.4 | -179 | -175.7 | 171.3 | 1.7 | 111.3 | V40 A41 A42 G47 T48 | V40-R44 WeakPolarHBondContact O-CB 3.3Å; V40-R44 PolarHBondContact O-N 2.99Å; A41-R44 WeakPolarHBondContact O-CB 3.4Å; A41-R44 PolarHBondContact O-N 2.98Å; A41-R44 VanDerWaalsContact O-N 3.14Å; A42-R44 VanDerWaalsContact C-N 3.35Å; R44-G47 CarbonylContact O-C 3.6Å; R44-G47 PolarHBondContact O-N 3.5Å; R44-G47 VanDerWaalsContact O-N 3.16Å; R44-T48 PolarHBondContact O-N 3.39Å; R44-T48 PolarHBondContact O-OG1 3.02Å; R44-T48 VanDerWaalsContact O-OG1 3.08Å |
| 45 | E | 71.3 | Confident | 73.8 | Confident | 135 Ų | 135 | 105.2 Ų | 105.2 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.7 | -43.6 | 177 | -74.5 | 174.1 | -169.7 | 0 | 0 | 111.5 | A41 A42 G47 T48 A49 | A41-E45 WeakPolarHBondContact O-CG 3.44Å; A41-E45 PolarHBondContact O-N 3.34Å; A42-E45 PolarHBondContact O-N 3Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 2.98Å; E45-T48 VanDerWaalsContact CA-OG1 3.26Å; E45-T48 WeakPolarHBondContact CA-OG1 3.34Å; E45-T48 PolarHBondContact O-N 3.2Å; E45-T48 VanDerWaalsContact O-N 3.15Å; E45-T48 PolarHBondContact O-OG1 3.48Å; E45-A49 PolarHBondContact O-N 2.81Å |
| 46 | A | 65.3 | Low | 72.2 | Confident | 60 Ų | 60 | 108.5 Ų | 108.5 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.1 | -38.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A42 A49 L50 | A42-A46 VanDerWaalsContact O-CB 3.32Å; A42-A46 WeakPolarHBondContact O-CB 3.22Å; A42-A46 PolarHBondContact O-N 3.23Å; A46-A49 PolarHBondContact O-N 3.2Å; A46-L50 WeakPolarHBondContact O-CD1 3.31Å |
| 47 | G | 60 | Low | 70.6 | Confident | 46 Ų | 46 | 111.4 Ų | 111.4 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70 | -30.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | M43 R44 E45 | M43-G47 PolarHBondContact O-N 2.92Å; R44-G47 CarbonylContact O-C 3.6Å; R44-G47 PolarHBondContact O-N 3.5Å; R44-G47 VanDerWaalsContact O-N 3.16Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 2.98Å |
| 48 | T | 58.5 | Low | 69 | Low | 83 Ų | 83 | 112.2 Ų | 112.2 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -81.3 | -16.1 | 173.7 | 38.9 | 0 | 0 | 0 | 0 | 114.2 | R44 E45 L50 | R44-T48 PolarHBondContact O-N 3.39Å; R44-T48 PolarHBondContact O-OG1 3.02Å; R44-T48 VanDerWaalsContact O-OG1 3.08Å; E45-T48 VanDerWaalsContact CA-OG1 3.26Å; E45-T48 WeakPolarHBondContact CA-OG1 3.34Å; E45-T48 PolarHBondContact O-N 3.2Å; E45-T48 VanDerWaalsContact O-N 3.15Å; E45-T48 PolarHBondContact O-OG1 3.48Å; T48-L50 VanDerWaalsContact C-N 3.28Å |
| 49 | A | 58.2 | Low | 67.7 | Low | 83 Ų | 83 | 110.2 Ų | 110.2 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -1.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E45 A46 | E45-A49 PolarHBondContact O-N 2.81Å; A46-A49 PolarHBondContact O-N 3.2Å |
| 50 | L | 57.5 | Low | 66.5 | Low | 75 Ų | 75 | 106.3 Ų | 106.3 | 39% | 0.393 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -72.4 | 140.7 | 170.6 | -89.2 | 94.6 | 0 | 0 | 0 | 110.7 | A46 T48 V54 | A46-L50 WeakPolarHBondContact O-CD1 3.31Å; T48-L50 VanDerWaalsContact C-N 3.28Å; L50-V54 HydrophobicContact CB-CB 4.4Å; L50-V54 HydrophobicContact CD2-CB 3.74Å; L50-V54 HydrophobicContact CD2-CG1 3.42Å; L50-V54 VanDerWaalsContact CD2-CG1 3.42Å; L50-V54 HydrophobicContact CD2-CG2 4.14Å |
| 51 | P | 63.5 | Low | 65.4 | Low | 80 Ų | 80 | 105.7 Ų | 105.7 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | trans | -53.6 | 143 | 176.4 | -22.3 | 31.1 | 0 | 0 | 0 | 111.7 | Q53 V54 | P51-Q53 PolarHBondContact O-N 3.24Å; P51-V54 PolarHBondContact O-N 3.35Å | ||
| 52 | D | 60.6 | Low | 64.5 | Low | 130 Ų | 130 | 106.5 Ų | 106.5 | 70% | 0.695 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -48 | -30.1 | 179.8 | -84.4 | -30.4 | 0 | 0 | 0 | 113.7 | V54 R55 Q56 | D52-V54 VanDerWaalsContact C-N 3.32Å; D52-V54 PolarHBondContact O-N 2.88Å; D52-R55 PolarHBondContact O-N 3.33Å; D52-Q56 WeakPolarHBondContact O-CB 3.45Å; D52-Q56 PolarHBondContact O-N 3.48Å |
| 53 | Q | 59 | Low | 63.7 | Low | 159 Ų | 159 | 106.5 Ų | 106.5 | 74% | 0.743 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.3 | -37.7 | 175.7 | -62.6 | 175 | 27.5 | 0 | 0 | 113.5 | P51 R57 | P51-Q53 PolarHBondContact O-N 3.24Å; Q53-R57 WeakPolarHBondContact O-CB 3.46Å; Q53-R57 PolarHBondContact O-N 2.96Å; Q53-R57 VanDerWaalsContact O-N 3.1Å |
| 54 | V | 61.9 | Low | 63.2 | Low | 47 Ų | 47 | 104.9 Ų | 104.9 | 29% | 0.285 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -78.9 | -33.8 | -178.6 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | L50 P51 D52 R57 Y58 | L50-V54 HydrophobicContact CB-CB 4.4Å; L50-V54 HydrophobicContact CD2-CB 3.74Å; L50-V54 HydrophobicContact CD2-CG1 3.42Å; L50-V54 VanDerWaalsContact CD2-CG1 3.42Å; L50-V54 HydrophobicContact CD2-CG2 4.14Å; P51-V54 PolarHBondContact O-N 3.35Å; D52-V54 VanDerWaalsContact C-N 3.32Å; D52-V54 PolarHBondContact O-N 2.88Å; V54-R57 WeakPolarHBondContact O-CB 3.35Å; V54-R57 PolarHBondContact O-N 3.32Å; V54-Y58 HydrophobicContact CG1-CD2 3.86Å; V54-Y58 HydrophobicContact CG1-CE2 3.44Å; V54-Y58 VanDerWaalsContact CG1-CE2 3.44Å; V54-Y58 WeakPolarHBondContact O-CD2 3.42Å; V54-Y58 PolarHBondContact O-N 3.39Å |
| 55 | R | 63.2 | Low | 62.5 | Low | 153 Ų | 153 | 101.6 Ų | 101.6 | 58% | 0.577 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 173.4 | -168 | -176.9 | -154.5 | 155.2 | 6 | 111.9 | D52 Y58 Q59 | D52-R55 PolarHBondContact O-N 3.33Å; R55-Y58 PolarHBondContact O-N 3.2Å; R55-Q59 PolarHBondContact O-N 3.49Å |
| 56 | Q | 61.4 | Low | 62.2 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -44 | 176.5 | -170.1 | 167 | 1.1 | 0 | 0 | 111.3 | D52 Y58 Q59 E60 | D52-Q56 WeakPolarHBondContact O-CB 3.45Å; D52-Q56 PolarHBondContact O-N 3.48Å; Q56-Y58 PolarHBondContact O-N 3.04Å; Q56-Q59 PolarHBondContact O-N 3.49Å; Q56-Q59 VanDerWaalsContact O-N 3.12Å; Q56-E60 WeakPolarHBondContact CG-OE1 3.47Å; Q56-E60 PolarHBondContact NE2-OE1 2.97Å; Q56-E60 WeakPolarHBondContact O-CB 3.34Å; Q56-E60 WeakPolarHBondContact O-CG 3.4Å; Q56-E60 PolarHBondContact O-N 3.06Å |
| 57 | R | 60.5 | Low | 62.1 | Low | 165 Ų | 165 | 103.1 Ų | 103.1 | 62% | 0.623 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -50.2 | -52.2 | 168.8 | -97.9 | -90.7 | -163.2 | -154.9 | -0.6 | 112.8 | Q53 V54 Q59 E60 D61 | Q53-R57 WeakPolarHBondContact O-CB 3.46Å; Q53-R57 PolarHBondContact O-N 2.96Å; Q53-R57 VanDerWaalsContact O-N 3.1Å; V54-R57 WeakPolarHBondContact O-CB 3.35Å; V54-R57 PolarHBondContact O-N 3.32Å; R57-Q59 VanDerWaalsContact C-N 3.28Å; R57-Q59 PolarHBondContact O-N 3.3Å; R57-E60 PolarHBondContact O-N 2.88Å; R57-D61 WeakPolarHBondContact O-CB 3.45Å; R57-D61 PolarHBondContact O-N 3.41Å |
| 58 | Y | 62.2 | Low | 62.2 | Low | 158 Ų | 158 | 103.7 Ų | 103.7 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -32 | 179.7 | -76.5 | -60.9 | 0 | 0 | 0 | 113.3 | V54 R55 Q56 A62 | V54-Y58 HydrophobicContact CG1-CD2 3.86Å; V54-Y58 HydrophobicContact CG1-CE2 3.44Å; V54-Y58 VanDerWaalsContact CG1-CE2 3.44Å; V54-Y58 WeakPolarHBondContact O-CD2 3.42Å; V54-Y58 PolarHBondContact O-N 3.39Å; R55-Y58 PolarHBondContact O-N 3.2Å; Q56-Y58 PolarHBondContact O-N 3.04Å; Y58-A62 WeakPolarHBondContact O-CB 3.47Å; Y58-A62 PolarHBondContact O-N 3.45Å; Y58-A62 VanDerWaalsContact O-N 3.16Å |
| 59 | Q | 65.6 | Low | 62.4 | Low | 140 Ų | 140 | 104.9 Ų | 104.9 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.6 | -36.4 | 178.1 | -171 | 152.4 | -3.2 | 0 | 0 | 112.2 | R55 Q56 R57 A62 S63 | R55-Q59 PolarHBondContact O-N 3.49Å; Q56-Q59 PolarHBondContact O-N 3.49Å; Q56-Q59 VanDerWaalsContact O-N 3.12Å; R57-Q59 VanDerWaalsContact C-N 3.28Å; R57-Q59 PolarHBondContact O-N 3.3Å; Q59-A62 PolarHBondContact O-N 3.12Å; Q59-S63 PolarHBondContact O-N 2.97Å; Q59-S63 VanDerWaalsContact O-N 3.1Å; Q59-S63 PolarHBondContact O-OG 2.89Å |
| 60 | E | 62.5 | Low | 63.1 | Low | 93 Ų | 93 | 108.1 Ų | 108.1 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 171.1 | -75.7 | 170.6 | -174.9 | 0 | 0 | 111 | Q56 R57 A62 S63 D64 | Q56-E60 WeakPolarHBondContact CG-OE1 3.47Å; Q56-E60 PolarHBondContact NE2-OE1 2.97Å; Q56-E60 WeakPolarHBondContact O-CB 3.34Å; Q56-E60 WeakPolarHBondContact O-CG 3.4Å; Q56-E60 PolarHBondContact O-N 3.06Å; R57-E60 PolarHBondContact O-N 2.88Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3.37Å; E60-S63 VanDerWaalsContact CA-OG 3.32Å; E60-S63 WeakPolarHBondContact CA-OG 3.32Å; E60-S63 PolarHBondContact O-N 2.99Å; E60-S63 PolarHBondContact O-OG 3.41Å; E60-D64 VanDerWaalsContact O-CG 3.3Å; E60-D64 PolarHBondContact O-N 3.45Å |
| 61 | D | 64.7 | Low | 63.7 | Low | 72 Ų | 72 | 110.8 Ų | 110.8 | 39% | 0.385 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 176.5 | -68.9 | -20.1 | 0 | 0 | 0 | 111.8 | R57 M65 | R57-D61 WeakPolarHBondContact O-CB 3.45Å; R57-D61 PolarHBondContact O-N 3.41Å; D61-M65 WeakPolarHBondContact O-CB 3.49Å; D61-M65 WeakPolarHBondContact O-CG 3.35Å; D61-M65 PolarHBondContact O-N 3Å; D61-M65 VanDerWaalsContact O-N 3.08Å |
| 62 | A | 64.9 | Low | 64.4 | Low | 63 Ų | 63 | 114.6 Ų | 114.6 | 52% | 0.521 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.9 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y58 Q59 E60 K66 | Y58-A62 WeakPolarHBondContact O-CB 3.47Å; Y58-A62 PolarHBondContact O-N 3.45Å; Y58-A62 VanDerWaalsContact O-N 3.16Å; Q59-A62 PolarHBondContact O-N 3.12Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3.37Å; A62-K66 PolarHBondContact O-N 2.86Å |
| 63 | S | 64.3 | Low | 65.1 | Low | 56 Ų | 56 | 113.1 Ų | 113.1 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.2 | -39.4 | 172.1 | 42.1 | 0 | 0 | 0 | 0 | 112.4 | Q59 E60 M65 K66 D67 | Q59-S63 PolarHBondContact O-N 2.97Å; Q59-S63 VanDerWaalsContact O-N 3.1Å; Q59-S63 PolarHBondContact O-OG 2.89Å; E60-S63 VanDerWaalsContact CA-OG 3.32Å; E60-S63 WeakPolarHBondContact CA-OG 3.32Å; E60-S63 PolarHBondContact O-N 2.99Å; E60-S63 PolarHBondContact O-OG 3.41Å; S63-M65 PolarHBondContact O-N 3.13Å; S63-K66 WeakPolarHBondContact O-CB 3.45Å; S63-K66 PolarHBondContact O-N 2.86Å; S63-K66 VanDerWaalsContact O-N 3.14Å; S63-D67 PolarHBondContact O-N 3.3Å |
| 64 | D | 65.1 | Low | 66.1 | Low | 92 Ų | 92 | 112.8 Ų | 112.8 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 179.3 | -71.5 | -12.8 | 0 | 0 | 0 | 111.1 | E60 K66 D67 M68 | E60-D64 VanDerWaalsContact O-CG 3.3Å; E60-D64 PolarHBondContact O-N 3.45Å; D64-K66 VanDerWaalsContact C-N 3.29Å; D64-K66 PolarHBondContact O-N 3.14Å; D64-D67 PolarHBondContact O-N 3.3Å; D64-D67 VanDerWaalsContact O-N 3.13Å; D64-M68 WeakPolarHBondContact O-CG 3.32Å; D64-M68 PolarHBondContact O-N 3.11Å |
| 65 | M | 63.3 | Low | 67.1 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 62% | 0.616 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.1 | -36.3 | 173.4 | -82.1 | -71.9 | 146.8 | 0 | 0 | 113.3 | D61 S63 M68 S69 | D61-M65 WeakPolarHBondContact O-CB 3.49Å; D61-M65 WeakPolarHBondContact O-CG 3.35Å; D61-M65 PolarHBondContact O-N 3Å; D61-M65 VanDerWaalsContact O-N 3.08Å; S63-M65 PolarHBondContact O-N 3.13Å; M65-M68 HydrophobicContact CE-SD 3.89Å; M65-M68 HydrophobicContact SD-SD 4.41Å; M65-S69 PolarHBondContact O-N 3.17Å; M65-S69 PolarHBondContact O-OG 3.45Å |
| 66 | K | 63.9 | Low | 68 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 68% | 0.678 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.4 | -32.4 | 176.7 | -169 | 179.8 | 179.9 | -177.2 | 0 | 112 | A62 S63 D64 | A62-K66 PolarHBondContact O-N 2.86Å; S63-K66 WeakPolarHBondContact O-CB 3.45Å; S63-K66 PolarHBondContact O-N 2.86Å; S63-K66 VanDerWaalsContact O-N 3.14Å; D64-K66 VanDerWaalsContact C-N 3.29Å; D64-K66 PolarHBondContact O-N 3.14Å |
| 67 | D | 64 | Low | 69.1 | Low | 71 Ų | 71 | 107.6 Ų | 107.6 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77 | -33.7 | 175.7 | -80.2 | -14.1 | 0 | 0 | 0 | 112.5 | S63 D64 S69 K70 Y71 | S63-D67 PolarHBondContact O-N 3.3Å; D64-D67 PolarHBondContact O-N 3.3Å; D64-D67 VanDerWaalsContact O-N 3.13Å; D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.9Å; D67-K70 WeakPolarHBondContact O-CB 3.42Å; D67-K70 PolarHBondContact O-N 3.09Å; D67-K70 VanDerWaalsContact O-N 3.11Å; D67-K70 WeakPolarHBondContact OD1-CE 3.37Å; D67-K70 IonicContact OD1-NZ 2.65Å; D67-K70 PolarHBondContact OD1-NZ 2.97Å; D67-Y71 VanDerWaalsContact O-CD2 3.25Å; D67-Y71 WeakPolarHBondContact O-CD2 3.33Å; D67-Y71 WeakPolarHBondContact O-CE2 3.46Å |
| 68 | M | 61.9 | Low | 70.2 | Confident | 59 Ų | 59 | 102.9 Ų | 102.9 | 29% | 0.291 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 172.5 | -72.5 | 179.2 | 76.4 | 0 | 0 | 112.5 | D64 M65 K70 Y71 L76 | D64-M68 WeakPolarHBondContact O-CG 3.32Å; D64-M68 PolarHBondContact O-N 3.11Å; M65-M68 HydrophobicContact CE-SD 3.89Å; M65-M68 HydrophobicContact SD-SD 4.41Å; M68-K70 PolarHBondContact O-N 3.43Å; M68-Y71 PolarHBondContact O-N 3.48Å; M68-Y71 VanDerWaalsContact O-N 3.16Å; M68-L76 HydrophobicContact CB-CD2 4.05Å; M68-L76 HydrophobicContact CE-CD2 3.93Å; M68-L76 HydrophobicContact CG-CD2 4.11Å; M68-L76 WeakPolarHBondContact O-CD1 3.37Å |
| 69 | S | 63 | Low | 71.4 | Confident | 107 Ų | 107 | 100 Ų | 100 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.1 | 176.3 | -69.5 | 0 | 0 | 0 | 0 | 114.5 | M65 D67 | M65-S69 PolarHBondContact O-N 3.17Å; M65-S69 PolarHBondContact O-OG 3.45Å; D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.9Å |
| 70 | K | 72.3 | Confident | 72.5 | Confident | 152 Ų | 152 | 97.3 Ų | 97.3 | 66% | 0.661 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.9 | 178.7 | -59.2 | 172.6 | -178.4 | 168.6 | 0 | 113.2 | D67 M68 | D67-K70 WeakPolarHBondContact O-CB 3.42Å; D67-K70 PolarHBondContact O-N 3.09Å; D67-K70 VanDerWaalsContact O-N 3.11Å; D67-K70 WeakPolarHBondContact OD1-CE 3.37Å; D67-K70 IonicContact OD1-NZ 2.65Å; D67-K70 PolarHBondContact OD1-NZ 2.97Å; M68-K70 PolarHBondContact O-N 3.43Å |
| 71 | Y | 69.1 | Low | 74 | Confident | 130 Ų | 130 | 97.1 Ų | 97.1 | 51% | 0.51 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -95.7 | 146.8 | -175.8 | -64.8 | -84.1 | 0 | 0 | 0 | 111.9 | D67 M68 I75 L76 | D67-Y71 VanDerWaalsContact O-CD2 3.25Å; D67-Y71 WeakPolarHBondContact O-CD2 3.33Å; D67-Y71 WeakPolarHBondContact O-CE2 3.46Å; M68-Y71 PolarHBondContact O-N 3.48Å; M68-Y71 VanDerWaalsContact O-N 3.16Å; Y71-I75 HydrophobicContact CD1-CG2 4.31Å; Y71-L76 HydrophobicContact CD2-CD2 4.42Å; Y71-L76 HydrophobicContact CG-CD2 4.49Å |
| 72 | K | 78.9 | Confident | 75.3 | Confident | 160 Ų | 160 | 96 Ų | 96 | 70% | 0.696 | 50% | 0.5 | S | S | * | . | trans | -63.1 | 141.8 | 173.2 | -68.1 | -177.2 | 179.3 | 178.9 | 0 | 109.4 | H74 I75 | K72-H74 PolarHBondContact O-N 3Å; K72-I75 HydrophobicContact CB-CD1 4.28Å; K72-I75 HydrophobicContact CB-CG1 4.47Å; K72-I75 WeakPolarHBondContact O-CB 3.4Å; K72-I75 PolarHBondContact O-N 3.19Å | ||
| 73 | P | 76.1 | Confident | 76.8 | Confident | 100 Ų | 100 | 98 Ų | 98 | 65% | 0.649 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -51.6 | -34.8 | -176.2 | -28.8 | 33.5 | 0 | 0 | 0 | 114.8 | I75 L76 L77 | P73-I75 VanDerWaalsContact C-N 3.32Å; P73-I75 PolarHBondContact O-N 3.33Å; P73-L76 PolarHBondContact O-N 3.38Å; P73-L77 WeakPolarHBondContact O-CG 3.46Å; P73-L77 PolarHBondContact O-N 3.46Å; P73-L77 VanDerWaalsContact O-N 3.09Å |
| 74 | H | 79.6 | Confident | 78.2 | Confident | 152 Ų | 152 | 99.2 Ų | 99.2 | 70% | 0.704 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.9 | -31.1 | 178.9 | -170.7 | 59.9 | 0 | 0 | 0 | 113.8 | K72 S78 | K72-H74 PolarHBondContact O-N 3Å; H74-S78 PolarHBondContact O-N 2.96Å; H74-S78 VanDerWaalsContact O-N 3.1Å |
| 75 | I | 82.4 | Confident | 79.7 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.3 | -44.1 | 179 | -60.8 | 173.4 | 0 | 0 | 0 | 109.8 | Y71 K72 P73 L77 S78 Q79 | Y71-I75 HydrophobicContact CD1-CG2 4.31Å; K72-I75 HydrophobicContact CB-CD1 4.28Å; K72-I75 HydrophobicContact CB-CG1 4.47Å; K72-I75 WeakPolarHBondContact O-CB 3.4Å; K72-I75 PolarHBondContact O-N 3.19Å; P73-I75 VanDerWaalsContact C-N 3.32Å; P73-I75 PolarHBondContact O-N 3.33Å; I75-L77 PolarHBondContact O-N 2.97Å; I75-S78 PolarHBondContact O-N 2.92Å; I75-Q79 PolarHBondContact O-N 3.47Å |
| 76 | L | 82 | Confident | 81.3 | Confident | 30 Ų | 30 | 100.2 Ų | 100.2 | 16% | 0.157 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 176.3 | -65.1 | 170.7 | 0 | 0 | 0 | 111 | M68 Y71 P73 S78 Q79 E80 | M68-L76 HydrophobicContact CB-CD2 4.05Å; M68-L76 HydrophobicContact CE-CD2 3.93Å; M68-L76 HydrophobicContact CG-CD2 4.11Å; M68-L76 WeakPolarHBondContact O-CD1 3.37Å; Y71-L76 HydrophobicContact CD2-CD2 4.42Å; Y71-L76 HydrophobicContact CG-CD2 4.49Å; P73-L76 PolarHBondContact O-N 3.38Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 2.91Å; L76-Q79 WeakPolarHBondContact O-CB 3.32Å; L76-Q79 PolarHBondContact O-N 3Å; L76-Q79 VanDerWaalsContact O-N 3.14Å; L76-E80 WeakPolarHBondContact O-CG 3.3Å; L76-E80 PolarHBondContact O-N 3.49Å |
| 77 | L | 84.4 | Confident | 82.9 | Confident | 92 Ų | 92 | 97.5 Ų | 97.5 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 175.2 | -72.7 | 168.9 | 0 | 0 | 0 | 112.6 | P73 I75 Q79 N81 | P73-L77 WeakPolarHBondContact O-CG 3.46Å; P73-L77 PolarHBondContact O-N 3.46Å; P73-L77 VanDerWaalsContact O-N 3.09Å; I75-L77 PolarHBondContact O-N 2.97Å; L77-Q79 VanDerWaalsContact C-N 3.34Å; L77-N81 VanDerWaalsContact O-CB 3.28Å; L77-N81 WeakPolarHBondContact O-CB 3.42Å; L77-N81 PolarHBondContact O-N 2.95Å; L77-N81 PolarHBondContact O-ND2 3.31Å |
| 78 | S | 84.3 | Confident | 84.5 | Confident | 66 Ų | 66 | 98.9 Ų | 98.9 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | H74 I75 L76 T82 | H74-S78 PolarHBondContact O-N 2.96Å; H74-S78 VanDerWaalsContact O-N 3.1Å; I75-S78 PolarHBondContact O-N 2.92Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 2.91Å; S78-T82 PolarHBondContact O-N 2.99Å; S78-T82 PolarHBondContact O-OG1 3.47Å |
| 79 | Q | 87.6 | Confident | 86.2 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -48.2 | 177.2 | -175 | 178.4 | 5.1 | 0 | 0 | 111 | I75 L76 L77 N81 T82 Q83 | I75-Q79 PolarHBondContact O-N 3.47Å; L76-Q79 WeakPolarHBondContact O-CB 3.32Å; L76-Q79 PolarHBondContact O-N 3Å; L76-Q79 VanDerWaalsContact O-N 3.14Å; L77-Q79 VanDerWaalsContact C-N 3.34Å; Q79-N81 VanDerWaalsContact C-N 3.35Å; Q79-N81 PolarHBondContact O-N 3.34Å; Q79-T82 WeakPolarHBondContact O-CA 3.36Å; Q79-T82 WeakPolarHBondContact O-CB 3.29Å; Q79-T82 PolarHBondContact O-N 3.04Å; Q79-Q83 PolarHBondContact O-N 3Å |
| 80 | E | 88.8 | Confident | 87.9 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.4 | -72.8 | 176 | 177.2 | 0 | 0 | 111.4 | L76 T82 Q83 I84 | L76-E80 WeakPolarHBondContact O-CG 3.3Å; L76-E80 PolarHBondContact O-N 3.49Å; E80-T82 PolarHBondContact O-N 3.49Å; E80-Q83 PolarHBondContact O-N 2.95Å; E80-I84 WeakPolarHBondContact O-CB 3.35Å; E80-I84 VanDerWaalsContact O-CG1 3.23Å; E80-I84 WeakPolarHBondContact O-CG1 3.49Å; E80-I84 PolarHBondContact O-N 3.29Å |
| 81 | N | 92.6 | Very high | 89.1 | Confident | 89 Ų | 89 | 97.5 Ų | 97.5 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -28.2 | 175.2 | -78.4 | -46.6 | 0 | 0 | 0 | 113.2 | L77 Q79 R85 | L77-N81 VanDerWaalsContact O-CB 3.28Å; L77-N81 WeakPolarHBondContact O-CB 3.42Å; L77-N81 PolarHBondContact O-N 2.95Å; L77-N81 PolarHBondContact O-ND2 3.31Å; Q79-N81 VanDerWaalsContact C-N 3.35Å; Q79-N81 PolarHBondContact O-N 3.34Å; N81-R85 VanDerWaalsContact O-CG 3.31Å; N81-R85 WeakPolarHBondContact O-CG 3.49Å; N81-R85 PolarHBondContact O-N 2.89Å; N81-R85 PolarHBondContact O-NE 3.46Å |
| 82 | T | 93.2 | Very high | 90.5 | Very high | 49 Ų | 49 | 97.7 Ų | 97.7 | 30% | 0.301 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75.5 | -47.1 | 175.4 | -57 | 0 | 0 | 0 | 0 | 110.4 | S78 Q79 E80 I84 R85 D86 | S78-T82 PolarHBondContact O-N 2.99Å; S78-T82 PolarHBondContact O-OG1 3.47Å; Q79-T82 WeakPolarHBondContact O-CA 3.36Å; Q79-T82 WeakPolarHBondContact O-CB 3.29Å; Q79-T82 PolarHBondContact O-N 3.04Å; E80-T82 PolarHBondContact O-N 3.49Å; T82-I84 VanDerWaalsContact C-N 3.29Å; T82-I84 PolarHBondContact O-N 3.48Å; T82-R85 WeakPolarHBondContact O-CB 3.37Å; T82-R85 PolarHBondContact O-N 3.37Å; T82-R85 PolarHBondContact OG1-NH2 2.95Å; T82-R85 VanDerWaalsContact OG1-NH2 3.16Å; T82-D86 VanDerWaalsContact O-CG 3.29Å; T82-D86 PolarHBondContact O-N 2.86Å |
| 83 | Q | 95.3 | Very high | 91.4 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 174.2 | -68.8 | 177.8 | -0.4 | 0 | 0 | 112.4 | Q79 E80 R85 D86 L87 | Q79-Q83 PolarHBondContact O-N 3Å; E80-Q83 PolarHBondContact O-N 2.95Å; Q83-R85 VanDerWaalsContact C-N 3.34Å; Q83-R85 PolarHBondContact O-N 3.23Å; Q83-D86 PolarHBondContact O-N 3.35Å; Q83-L87 WeakPolarHBondContact O-CB 3.38Å; Q83-L87 WeakPolarHBondContact O-CG 3.26Å; Q83-L87 PolarHBondContact O-N 3.34Å |
| 84 | I | 95.1 | Very high | 92.5 | Very high | 80 Ų | 80 | 95.2 Ų | 95.2 | 41% | 0.41 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 175.5 | -69.9 | 165.3 | 0 | 0 | 0 | 110.7 | E80 T82 Q88 | E80-I84 WeakPolarHBondContact O-CB 3.35Å; E80-I84 VanDerWaalsContact O-CG1 3.23Å; E80-I84 WeakPolarHBondContact O-CG1 3.49Å; E80-I84 PolarHBondContact O-N 3.29Å; T82-I84 VanDerWaalsContact C-N 3.29Å; T82-I84 PolarHBondContact O-N 3.48Å; I84-Q88 HydrophobicContact CG2-CG 4.39Å; I84-Q88 WeakPolarHBondContact O-CB 3.02Å; I84-Q88 WeakPolarHBondContact O-CG 3.35Å; I84-Q88 PolarHBondContact O-N 2.95Å |
| 85 | R | 96.6 | Very high | 93.4 | Very high | 147 Ų | 147 | 96.7 Ų | 96.7 | 56% | 0.555 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 178.2 | -77.5 | -177.8 | -62.6 | -177.5 | 4.3 | 112.1 | N81 T82 Q83 Q88 Q89 | N81-R85 VanDerWaalsContact O-CG 3.31Å; N81-R85 WeakPolarHBondContact O-CG 3.49Å; N81-R85 PolarHBondContact O-N 2.89Å; N81-R85 PolarHBondContact O-NE 3.46Å; T82-R85 WeakPolarHBondContact O-CB 3.37Å; T82-R85 PolarHBondContact O-N 3.37Å; T82-R85 PolarHBondContact OG1-NH2 2.95Å; T82-R85 VanDerWaalsContact OG1-NH2 3.16Å; Q83-R85 VanDerWaalsContact C-N 3.34Å; Q83-R85 PolarHBondContact O-N 3.23Å; R85-Q88 PolarHBondContact O-N 3.45Å; R85-Q89 WeakPolarHBondContact O-CB 3.09Å; R85-Q89 PolarHBondContact O-N 3.35Å |
| 86 | D | 97.1 | Very high | 94.2 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 178.8 | -63 | -17 | 0 | 0 | 0 | 110.5 | T82 Q83 Q88 Q89 E90 | T82-D86 VanDerWaalsContact O-CG 3.29Å; T82-D86 PolarHBondContact O-N 2.86Å; Q83-D86 PolarHBondContact O-N 3.35Å; D86-Q88 VanDerWaalsContact C-N 3.32Å; D86-Q88 PolarHBondContact O-N 2.91Å; D86-Q89 WeakPolarHBondContact O-CA 3.19Å; D86-Q89 WeakPolarHBondContact O-CB 3.24Å; D86-Q89 PolarHBondContact O-N 2.96Å; D86-E90 PolarHBondContact O-N 3.47Å |
| 87 | L | 97.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 97.6 Ų | 97.6 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 174.9 | -75.6 | 172 | 0 | 0 | 0 | 112.5 | Q83 Q89 N91 | Q83-L87 WeakPolarHBondContact O-CB 3.38Å; Q83-L87 WeakPolarHBondContact O-CG 3.26Å; Q83-L87 PolarHBondContact O-N 3.34Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-N91 WeakPolarHBondContact O-CB 3.4Å; L87-N91 PolarHBondContact O-N 2.95Å; L87-N91 PolarHBondContact O-ND2 3.45Å |
| 88 | Q | 97.2 | Very high | 95.6 | Very high | 100 Ų | 100 | 97.2 Ų | 97.2 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 174.9 | -76.3 | 175.2 | -5.8 | 0 | 0 | 111.8 | I84 R85 D86 R92 | I84-Q88 HydrophobicContact CG2-CG 4.39Å; I84-Q88 WeakPolarHBondContact O-CB 3.02Å; I84-Q88 WeakPolarHBondContact O-CG 3.35Å; I84-Q88 PolarHBondContact O-N 2.95Å; R85-Q88 PolarHBondContact O-N 3.45Å; D86-Q88 VanDerWaalsContact C-N 3.32Å; D86-Q88 PolarHBondContact O-N 2.91Å; Q88-R92 WeakPolarHBondContact O-CG 3.36Å; Q88-R92 PolarHBondContact O-N 2.89Å; Q88-R92 VanDerWaalsContact O-N 3.15Å; Q88-R92 PolarHBondContact O-NH1 3.14Å |
| 89 | Q | 97.7 | Very high | 96.3 | Very high | 93 Ų | 93 | 99.9 Ų | 99.9 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69 | -47.9 | 174.3 | 178.7 | 169 | -15.5 | 0 | 0 | 111.4 | R85 D86 L87 N91 R92 E93 | R85-Q89 WeakPolarHBondContact O-CB 3.09Å; R85-Q89 PolarHBondContact O-N 3.35Å; D86-Q89 WeakPolarHBondContact O-CA 3.19Å; D86-Q89 WeakPolarHBondContact O-CB 3.24Å; D86-Q89 PolarHBondContact O-N 2.96Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; Q89-N91 VanDerWaalsContact C-N 3.32Å; Q89-N91 PolarHBondContact O-N 3.42Å; Q89-R92 WeakPolarHBondContact O-CA 3.35Å; Q89-R92 WeakPolarHBondContact O-CB 3.4Å; Q89-R92 PolarHBondContact O-N 3.08Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.21Å; Q89-E93 PolarHBondContact NE2-OE1 3.47Å; Q89-E93 PolarHBondContact O-N 2.92Å |
| 90 | E | 98 | Very high | 96.8 | Very high | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 176.7 | -173 | -179.4 | 177.5 | 0 | 0 | 111.2 | D86 R92 E93 L94 | D86-E90 PolarHBondContact O-N 3.47Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2.88Å; E90-E93 PolarHBondContact O-N 3.26Å; E90-E93 VanDerWaalsContact O-N 3.16Å; E90-L94 HydrophobicContact CG-CD1 4.31Å; E90-L94 WeakPolarHBondContact O-CB 3.37Å; E90-L94 WeakPolarHBondContact O-CG 3.25Å; E90-L94 PolarHBondContact O-N 3.39Å |
| 91 | N | 98.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 103.4 Ų | 103.4 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 174.3 | -84.8 | -71.2 | 0 | 0 | 0 | 112.2 | L87 Q89 L94 W95 | L87-N91 WeakPolarHBondContact O-CB 3.4Å; L87-N91 PolarHBondContact O-N 2.95Å; L87-N91 PolarHBondContact O-ND2 3.45Å; Q89-N91 VanDerWaalsContact C-N 3.32Å; Q89-N91 PolarHBondContact O-N 3.42Å; N91-L94 PolarHBondContact O-N 3.45Å; N91-W95 PolarHBondContact O-N 3.35Å |
| 92 | R | 98.2 | Very high | 97.5 | Very high | 134 Ų | 134 | 104.9 Ų | 104.9 | 51% | 0.506 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.3 | -76.3 | -174.1 | -62.6 | -91.2 | 2.1 | 111.6 | Q88 Q89 E90 W95 I96 | Q88-R92 WeakPolarHBondContact O-CG 3.36Å; Q88-R92 PolarHBondContact O-N 2.89Å; Q88-R92 VanDerWaalsContact O-N 3.15Å; Q88-R92 PolarHBondContact O-NH1 3.14Å; Q89-R92 WeakPolarHBondContact O-CA 3.35Å; Q89-R92 WeakPolarHBondContact O-CB 3.4Å; Q89-R92 PolarHBondContact O-N 3.08Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2.88Å; R92-W95 PolarHBondContact O-N 3.36Å; R92-I96 WeakPolarHBondContact O-CG1 3.49Å; R92-I96 PolarHBondContact O-N 3.49Å |
| 93 | E | 98.2 | Very high | 97.8 | Very high | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 178.3 | -70.6 | 174 | -166.2 | 0 | 0 | 111.7 | Q89 E90 I96 S97 | Q89-E93 WeakPolarHBondContact CG-OE1 3.21Å; Q89-E93 PolarHBondContact NE2-OE1 3.47Å; Q89-E93 PolarHBondContact O-N 2.92Å; E90-E93 PolarHBondContact O-N 3.26Å; E90-E93 VanDerWaalsContact O-N 3.16Å; E93-I96 PolarHBondContact O-N 3.04Å; E93-S97 WeakPolarHBondContact O-CB 3.45Å; E93-S97 PolarHBondContact O-N 3.47Å |
| 94 | L | 98.5 | Very high | 98 | Very high | 101 Ų | 101 | 104.3 Ų | 104.3 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 173.4 | -71.6 | 173.3 | 0 | 0 | 0 | 112.2 | E90 N91 S97 L98 | E90-L94 HydrophobicContact CG-CD1 4.31Å; E90-L94 WeakPolarHBondContact O-CB 3.37Å; E90-L94 WeakPolarHBondContact O-CG 3.25Å; E90-L94 PolarHBondContact O-N 3.39Å; N91-L94 PolarHBondContact O-N 3.45Å; L94-S97 PolarHBondContact O-N 2.92Å; L94-L98 WeakPolarHBondContact O-CB 3.38Å; L94-L98 PolarHBondContact O-N 3.34Å |
| 95 | W | 98.5 | Very high | 98.1 | Very high | 184 Ų | 184 | 106 Ų | 106 | 70% | 0.697 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 174.9 | -88.9 | 108.9 | 0 | 0 | 0 | 112 | N91 R92 L98 E99 | N91-W95 PolarHBondContact O-N 3.35Å; R92-W95 PolarHBondContact O-N 3.36Å; W95-L98 PolarHBondContact O-N 2.88Å; W95-E99 PolarHBondContact O-N 3.29Å |
| 96 | I | 98.4 | Very high | 98.2 | Very high | 88 Ų | 88 | 105.5 Ų | 105.5 | 45% | 0.451 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 177.6 | -66.3 | 164.2 | 0 | 0 | 0 | 110.4 | R92 E93 L98 E99 E100 | R92-I96 WeakPolarHBondContact O-CG1 3.49Å; R92-I96 PolarHBondContact O-N 3.49Å; E93-I96 PolarHBondContact O-N 3.04Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 3Å; I96-E99 WeakPolarHBondContact O-CB 3.26Å; I96-E99 PolarHBondContact O-N 2.92Å; I96-E99 VanDerWaalsContact O-N 3.15Å; I96-E100 HydrophobicContact CG2-CG 4.32Å; I96-E100 WeakPolarHBondContact O-CG 3.48Å; I96-E100 PolarHBondContact O-N 3.35Å |
| 97 | S | 98.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 105.9 Ų | 105.9 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | E93 L94 H101 | E93-S97 WeakPolarHBondContact O-CB 3.45Å; E93-S97 PolarHBondContact O-N 3.47Å; L94-S97 PolarHBondContact O-N 2.92Å; S97-H101 WeakPolarHBondContact O-CB 3.46Å; S97-H101 PolarHBondContact O-CD2 3.49Å; S97-H101 PolarHBondContact O-N 3.12Å |
| 98 | L | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 106.5 Ų | 106.5 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 176 | -175.6 | 64.9 | 0 | 0 | 0 | 111.9 | L94 W95 I96 H101 Q102 | L94-L98 WeakPolarHBondContact O-CB 3.38Å; L94-L98 PolarHBondContact O-N 3.34Å; W95-L98 PolarHBondContact O-N 2.88Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 3Å; L98-H101 PolarHBondContact O-N 2.88Å; L98-Q102 WeakPolarHBondContact O-CG 3.47Å; L98-Q102 PolarHBondContact O-N 3.3Å |
| 99 | E | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 105.2 Ų | 105.2 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -48.7 | 176 | -172 | 171.7 | -161.5 | 0 | 0 | 111 | W95 I96 H101 Q102 D103 | W95-E99 PolarHBondContact O-N 3.29Å; I96-E99 WeakPolarHBondContact O-CB 3.26Å; I96-E99 PolarHBondContact O-N 2.92Å; I96-E99 VanDerWaalsContact O-N 3.15Å; E99-H101 VanDerWaalsContact C-N 3.29Å; E99-H101 PolarHBondContact O-N 2.91Å; E99-Q102 WeakPolarHBondContact O-CB 3.26Å; E99-Q102 PolarHBondContact O-N 3.4Å; E99-D103 PolarHBondContact O-N 3Å |
| 100 | E | 98.3 | Very high | 98.4 | Very high | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 176.6 | -71.2 | -179.6 | 164.1 | 0 | 0 | 112.4 | I96 A104 | I96-E100 HydrophobicContact CG2-CG 4.32Å; I96-E100 WeakPolarHBondContact O-CG 3.48Å; I96-E100 PolarHBondContact O-N 3.35Å; E100-A104 WeakPolarHBondContact O-CB 3.36Å; E100-A104 PolarHBondContact O-N 3.49Å |
| 101 | H | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 104 Ų | 104 | 61% | 0.606 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 174.5 | -80.5 | -45.1 | 0 | 0 | 0 | 112.7 | S97 L98 E99 L105 | S97-H101 WeakPolarHBondContact O-CB 3.46Å; S97-H101 PolarHBondContact O-CD2 3.49Å; S97-H101 PolarHBondContact O-N 3.12Å; L98-H101 PolarHBondContact O-N 2.88Å; E99-H101 VanDerWaalsContact C-N 3.29Å; E99-H101 PolarHBondContact O-N 2.91Å; H101-L105 WeakPolarHBondContact O-CB 3.48Å; H101-L105 PolarHBondContact O-N 3.38Å |
| 102 | Q | 98.4 | Very high | 98.5 | Very high | 120 Ų | 120 | 105.9 Ų | 105.9 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | 174.9 | -74.6 | 176.9 | 19.7 | 0 | 0 | 111.1 | L98 E99 A104 L105 E106 | L98-Q102 WeakPolarHBondContact O-CG 3.47Å; L98-Q102 PolarHBondContact O-N 3.3Å; E99-Q102 WeakPolarHBondContact O-CB 3.26Å; E99-Q102 PolarHBondContact O-N 3.4Å; Q102-A104 PolarHBondContact O-N 2.96Å; Q102-L105 PolarHBondContact O-N 3.48Å; Q102-E106 PolarHBondContact O-N 3.5Å |
| 103 | D | 98.5 | Very high | 98.5 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.7 | -74.7 | -9.4 | 0 | 0 | 0 | 111.9 | E99 L105 E106 L107 | E99-D103 PolarHBondContact O-N 3Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 3.27Å; D103-E106 PolarHBondContact O-N 3.25Å; D103-L107 WeakPolarHBondContact O-CB 3.33Å; D103-L107 PolarHBondContact O-N 3.49Å |
| 104 | A | 98.7 | Very high | 98.4 | Very high | 45 Ų | 45 | 107.5 Ų | 107.5 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E100 Q102 L107 I108 | E100-A104 WeakPolarHBondContact O-CB 3.36Å; E100-A104 PolarHBondContact O-N 3.49Å; Q102-A104 PolarHBondContact O-N 2.96Å; A104-L107 PolarHBondContact O-N 3.24Å; A104-I108 VanDerWaalsContact O-CG1 3.26Å; A104-I108 WeakPolarHBondContact O-CG1 3.24Å; A104-I108 PolarHBondContact O-N 3.43Å |
| 105 | L | 98.8 | Very high | 98.4 | Very high | 117 Ų | 117 | 108.8 Ų | 108.8 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 178.9 | -162.7 | 116.5 | 0 | 0 | 0 | 111.6 | H101 Q102 D103 L107 I108 M109 | H101-L105 WeakPolarHBondContact O-CB 3.48Å; H101-L105 PolarHBondContact O-N 3.38Å; Q102-L105 PolarHBondContact O-N 3.48Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 3.27Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 3.07Å; L105-I108 PolarHBondContact O-N 2.96Å; L105-M109 HydrophobicContact CD2-CG 4.34Å; L105-M109 HydrophobicContact CG-CG 4.47Å; L105-M109 WeakPolarHBondContact O-CB 3.26Å; L105-M109 VanDerWaalsContact O-CG 3.25Å; L105-M109 WeakPolarHBondContact O-CG 3.32Å; L105-M109 PolarHBondContact O-N 3.33Å |
| 106 | E | 98.4 | Very high | 98.2 | Very high | 135 Ų | 135 | 103.6 Ų | 103.6 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59 | -46.5 | 174.7 | -176.4 | 177 | 168.3 | 0 | 0 | 111 | Q102 D103 I108 M109 S110 | Q102-E106 PolarHBondContact O-N 3.5Å; D103-E106 PolarHBondContact O-N 3.25Å; E106-I108 PolarHBondContact O-N 2.79Å; E106-M109 PolarHBondContact O-N 3.48Å; E106-S110 VanDerWaalsContact O-CB 3.26Å; E106-S110 WeakPolarHBondContact O-CB 3.25Å; E106-S110 PolarHBondContact O-N 2.83Å |
| 107 | L | 98.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 104.8 Ų | 104.8 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.3 | 179.7 | 61.8 | 0 | 0 | 0 | 111.8 | D103 A104 L105 S110 K111 | D103-L107 WeakPolarHBondContact O-CB 3.33Å; D103-L107 PolarHBondContact O-N 3.49Å; A104-L107 PolarHBondContact O-N 3.24Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 3.07Å; L107-S110 PolarHBondContact O-N 3.44Å; L107-K111 WeakPolarHBondContact O-CG 3.41Å; L107-K111 PolarHBondContact O-N 3.41Å |
| 108 | I | 98.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 109.2 Ų | 109.2 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -48.6 | 177.4 | -70.1 | 166.1 | 0 | 0 | 0 | 110 | A104 L105 E106 S110 K111 Y112 | A104-I108 VanDerWaalsContact O-CG1 3.26Å; A104-I108 WeakPolarHBondContact O-CG1 3.24Å; A104-I108 PolarHBondContact O-N 3.43Å; L105-I108 PolarHBondContact O-N 2.96Å; E106-I108 PolarHBondContact O-N 2.79Å; I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 PolarHBondContact O-N 3.42Å; I108-K111 PolarHBondContact O-N 3.47Å; I108-Y112 WeakPolarHBondContact O-CB 3.38Å; I108-Y112 PolarHBondContact O-N 3.43Å |
| 109 | M | 98.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 109.2 Ų | 109.2 | 37% | 0.365 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | -179.8 | -71.9 | -63.4 | -68.4 | 0 | 0 | 112.1 | L105 E106 Y112 R113 | L105-M109 HydrophobicContact CD2-CG 4.34Å; L105-M109 HydrophobicContact CG-CG 4.47Å; L105-M109 WeakPolarHBondContact O-CB 3.26Å; L105-M109 VanDerWaalsContact O-CG 3.25Å; L105-M109 WeakPolarHBondContact O-CG 3.32Å; L105-M109 PolarHBondContact O-N 3.33Å; E106-M109 PolarHBondContact O-N 3.48Å; M109-Y112 PolarHBondContact O-N 3.36Å; M109-R113 WeakPolarHBondContact O-CB 3.45Å; M109-R113 VanDerWaalsContact O-CG 3.26Å; M109-R113 WeakPolarHBondContact O-CG 3.48Å; M109-R113 PolarHBondContact O-N 3.37Å; M109-R113 PolarHBondContact O-NH1 2.91Å |
| 110 | S | 98.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 109.1 Ų | 109.1 | 30% | 0.301 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | E106 L107 I108 R113 K114 | E106-S110 VanDerWaalsContact O-CB 3.26Å; E106-S110 WeakPolarHBondContact O-CB 3.25Å; E106-S110 PolarHBondContact O-N 2.83Å; L107-S110 PolarHBondContact O-N 3.44Å; I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 PolarHBondContact O-N 3.42Å; S110-R113 PolarHBondContact O-N 3.02Å; S110-K114 WeakPolarHBondContact O-CG 3.36Å; S110-K114 PolarHBondContact O-N 2.95Å; S110-K114 VanDerWaalsContact O-N 3.07Å |
| 111 | K | 98.4 | Very high | 96.3 | Very high | 134 Ų | 134 | 108.1 Ų | 108.1 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 175 | -74.4 | -179.5 | -176.9 | -79.7 | 0 | 112 | L107 I108 R113 K114 Q115 | L107-K111 WeakPolarHBondContact O-CG 3.41Å; L107-K111 PolarHBondContact O-N 3.41Å; I108-K111 PolarHBondContact O-N 3.47Å; K111-R113 PolarHBondContact O-N 3.34Å; K111-K114 PolarHBondContact O-N 2.97Å; K111-Q115 PolarHBondContact O-N 2.87Å |
| 112 | Y | 98.6 | Very high | 95.5 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 49% | 0.494 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 176.8 | 177.2 | -96.5 | 0 | 0 | 0 | 111.6 | I108 M109 K114 Q115 M116 | I108-Y112 WeakPolarHBondContact O-CB 3.38Å; I108-Y112 PolarHBondContact O-N 3.43Å; M109-Y112 PolarHBondContact O-N 3.36Å; Y112-K114 VanDerWaalsContact C-N 3.35Å; Y112-K114 PolarHBondContact O-N 3.47Å; Y112-Q115 PolarHBondContact O-N 3.02Å; Y112-M116 HydrophobicContact CE1-CE 4.28Å; Y112-M116 HydrophobicContact CE2-CE 4.19Å; Y112-M116 WeakPolarHBondContact O-CB 3.38Å; Y112-M116 PolarHBondContact O-N 2.93Å; Y112-M116 VanDerWaalsContact OH-CE 3.24Å; Y112-M116 WeakPolarHBondContact OH-CE 3.39Å |
| 113 | R | 98.1 | Very high | 94.5 | Very high | 140 Ų | 140 | 105.1 Ų | 105.1 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 176.4 | -72 | 176.6 | -165.3 | 107.8 | -3.9 | 111.6 | M109 S110 K111 Q115 M116 L117 | M109-R113 WeakPolarHBondContact O-CB 3.45Å; M109-R113 VanDerWaalsContact O-CG 3.26Å; M109-R113 WeakPolarHBondContact O-CG 3.48Å; M109-R113 PolarHBondContact O-N 3.37Å; M109-R113 PolarHBondContact O-NH1 2.91Å; S110-R113 PolarHBondContact O-N 3.02Å; K111-R113 PolarHBondContact O-N 3.34Å; R113-Q115 PolarHBondContact O-N 3.2Å; R113-M116 PolarHBondContact O-N 2.88Å; R113-L117 WeakPolarHBondContact O-CG 3.33Å; R113-L117 PolarHBondContact O-N 2.99Å |
| 114 | K | 97.6 | Very high | 93.2 | Very high | 135 Ų | 135 | 108.2 Ų | 108.2 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 176.9 | -73.3 | 177.3 | -176.8 | 179.9 | 0 | 112 | S110 K111 Y112 L117 Q118 | S110-K114 WeakPolarHBondContact O-CG 3.36Å; S110-K114 PolarHBondContact O-N 2.95Å; S110-K114 VanDerWaalsContact O-N 3.07Å; K111-K114 PolarHBondContact O-N 2.97Å; Y112-K114 VanDerWaalsContact C-N 3.35Å; Y112-K114 PolarHBondContact O-N 3.47Å; K114-L117 PolarHBondContact O-N 3.41Å; K114-Q118 WeakPolarHBondContact O-CG 3.36Å; K114-Q118 PolarHBondContact O-N 3.46Å |
| 115 | Q | 97 | Very high | 91.4 | Very high | 128 Ų | 128 | 108.1 Ų | 108.1 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 178.8 | -173.6 | 178.7 | 11.8 | 0 | 0 | 111.9 | K111 Y112 R113 L117 Q118 L119 | K111-Q115 PolarHBondContact O-N 2.87Å; Y112-Q115 PolarHBondContact O-N 3.02Å; R113-Q115 PolarHBondContact O-N 3.2Å; Q115-L117 PolarHBondContact O-N 3.04Å; Q115-Q118 PolarHBondContact O-N 3.3Å; Q115-L119 WeakPolarHBondContact O-CB 3.37Å; Q115-L119 PolarHBondContact O-N 3.36Å |
| 116 | M | 95.7 | Very high | 89.6 | Confident | 75 Ų | 75 | 107.4 Ų | 107.4 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.3 | -170.8 | 61.7 | 68.3 | 0 | 0 | 111.5 | Y112 R113 Q118 L119 M120 | Y112-M116 HydrophobicContact CE1-CE 4.28Å; Y112-M116 HydrophobicContact CE2-CE 4.19Å; Y112-M116 WeakPolarHBondContact O-CB 3.38Å; Y112-M116 PolarHBondContact O-N 2.93Å; Y112-M116 VanDerWaalsContact OH-CE 3.24Å; Y112-M116 WeakPolarHBondContact OH-CE 3.39Å; R113-M116 PolarHBondContact O-N 2.88Å; M116-Q118 PolarHBondContact O-N 2.89Å; M116-L119 PolarHBondContact O-N 3.05Å; M116-M120 WeakPolarHBondContact O-CG 3.35Å; M116-M120 PolarHBondContact O-N 3.29Å |
| 117 | L | 94.8 | Very high | 88.1 | Confident | 112 Ų | 112 | 106.9 Ų | 106.9 | 59% | 0.586 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 175.6 | -72.8 | 171.5 | 0 | 0 | 0 | 111.8 | R113 K114 Q115 L119 M120 V121 | R113-L117 WeakPolarHBondContact O-CG 3.33Å; R113-L117 PolarHBondContact O-N 2.99Å; K114-L117 PolarHBondContact O-N 3.41Å; Q115-L117 PolarHBondContact O-N 3.04Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.34Å; L117-M120 PolarHBondContact O-N 3.15Å; L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 2.95Å |
| 118 | Q | 93 | Very high | 86.7 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 175.7 | -73.6 | 175.2 | -9.5 | 0 | 0 | 111.9 | K114 Q115 M116 V121 A122 | K114-Q118 WeakPolarHBondContact O-CG 3.36Å; K114-Q118 PolarHBondContact O-N 3.46Å; Q115-Q118 PolarHBondContact O-N 3.3Å; M116-Q118 PolarHBondContact O-N 2.89Å; Q118-V121 PolarHBondContact O-N 3.47Å; Q118-A122 WeakPolarHBondContact O-CB 3.35Å; Q118-A122 PolarHBondContact O-N 3.02Å |
| 119 | L | 91.7 | Very high | 85.6 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 45% | 0.445 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 179.1 | -168.6 | 126.1 | 0 | 0 | 0 | 112.2 | Q115 M116 L117 A122 K123 | Q115-L119 WeakPolarHBondContact O-CB 3.37Å; Q115-L119 PolarHBondContact O-N 3.36Å; M116-L119 PolarHBondContact O-N 3.05Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.34Å; L119-A122 PolarHBondContact O-N 3.15Å; L119-K123 HydrophobicContact CD2-CD 3.99Å; L119-K123 WeakPolarHBondContact O-CB 3.34Å; L119-K123 WeakPolarHBondContact O-CG 3.49Å; L119-K123 PolarHBondContact O-N 3.34Å |
| 120 | M | 87 | Confident | 84.7 | Confident | 118 Ų | 118 | 105.2 Ų | 105.2 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 173.7 | -75.4 | -178.7 | 73 | 0 | 0 | 111.8 | M116 L117 K124 | M116-M120 WeakPolarHBondContact O-CG 3.35Å; M116-M120 PolarHBondContact O-N 3.29Å; L117-M120 PolarHBondContact O-N 3.15Å; M120-K124 WeakPolarHBondContact O-CB 3.42Å; M120-K124 PolarHBondContact O-N 2.94Å |
| 121 | V | 84.9 | Confident | 83.9 | Confident | 104 Ų | 104 | 106.9 Ų | 106.9 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L117 Q118 K123 K124 A125 | L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 2.95Å; Q118-V121 PolarHBondContact O-N 3.47Å; V121-K123 PolarHBondContact O-N 2.94Å; V121-K124 PolarHBondContact O-N 2.88Å; V121-A125 WeakPolarHBondContact O-CB 3.32Å; V121-A125 PolarHBondContact O-N 2.9Å |
| 122 | A | 81.5 | Confident | 83.2 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q118 L119 V126 | Q118-A122 WeakPolarHBondContact O-CB 3.35Å; Q118-A122 PolarHBondContact O-N 3.02Å; L119-A122 PolarHBondContact O-N 3.15Å; A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.17Å; A122-V126 PolarHBondContact O-N 3.02Å; A122-V126 VanDerWaalsContact O-N 3.12Å |
| 123 | K | 76.9 | Confident | 82.6 | Confident | 134 Ų | 134 | 106.9 Ų | 106.9 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 176.3 | -78.6 | -172.6 | 170.8 | -173.9 | 0 | 112.6 | L119 V121 A125 V126 D127 | L119-K123 HydrophobicContact CD2-CD 3.99Å; L119-K123 WeakPolarHBondContact O-CB 3.34Å; L119-K123 WeakPolarHBondContact O-CG 3.49Å; L119-K123 PolarHBondContact O-N 3.34Å; V121-K123 PolarHBondContact O-N 2.94Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 3.16Å; K123-V126 PolarHBondContact O-N 3.15Å; K123-D127 PolarHBondContact O-N 3.39Å |
| 124 | K | 70.9 | Confident | 82 | Confident | 161 Ų | 161 | 102.7 Ų | 102.7 | 70% | 0.7 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 179.6 | -172.9 | 178 | 179.6 | -178.1 | 0 | 112.2 | M120 V121 A128 | M120-K124 WeakPolarHBondContact O-CB 3.42Å; M120-K124 PolarHBondContact O-N 2.94Å; V121-K124 PolarHBondContact O-N 2.88Å; K124-A128 WeakPolarHBondContact O-CB 3.49Å; K124-A128 PolarHBondContact O-N 3.07Å; K124-A128 VanDerWaalsContact O-N 3.08Å |
| 125 | A | 62.1 | Low | 81.6 | Confident | 43 Ų | 43 | 102.4 Ų | 102.4 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V121 K123 D127 A128 E129 | V121-A125 WeakPolarHBondContact O-CB 3.32Å; V121-A125 PolarHBondContact O-N 2.9Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-A125 PolarHBondContact O-N 3.16Å; A125-D127 PolarHBondContact O-N 2.92Å; A125-A128 PolarHBondContact O-N 3.35Å; A125-E129 WeakPolarHBondContact O-CB 3.49Å; A125-E129 PolarHBondContact O-N 3.04Å |
| 126 | V | 61.3 | Low | 81.4 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 62% | 0.618 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -39.4 | -177.8 | 173.8 | 0 | 0 | 0 | 0 | 112.9 | A122 K123 P130 | A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.17Å; A122-V126 PolarHBondContact O-N 3.02Å; A122-V126 VanDerWaalsContact O-N 3.12Å; K123-V126 PolarHBondContact O-N 3.15Å; V126-P130 WeakPolarHBondContact O-CD 3.39Å |
| 127 | D | 65.9 | Low | 81.1 | Confident | 124 Ų | 124 | 102.1 Ų | 102.1 | 66% | 0.663 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -79.3 | -31.7 | -179.1 | -77.2 | -20.6 | 0 | 0 | 0 | 113.3 | K123 A125 | K123-D127 PolarHBondContact O-N 3.39Å; A125-D127 PolarHBondContact O-N 2.92Å |
| 128 | A | 69.1 | Low | 81.1 | Confident | 37 Ų | 37 | 102.4 Ų | 102.4 | 31% | 0.306 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -91.1 | -31.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K124 A125 V131 L132 | K124-A128 WeakPolarHBondContact O-CB 3.49Å; K124-A128 PolarHBondContact O-N 3.07Å; K124-A128 VanDerWaalsContact O-N 3.08Å; A125-A128 PolarHBondContact O-N 3.35Å; A128-V131 PolarHBondContact O-N 2.93Å; A128-L132 HydrophobicContact CB-CD1 4.28Å; A128-L132 WeakPolarHBondContact O-CB 3.49Å; A128-L132 VanDerWaalsContact O-CG 3.24Å; A128-L132 WeakPolarHBondContact O-CG 3.34Å; A128-L132 PolarHBondContact O-N 2.84Å |
| 129 | E | 76.7 | Confident | 81.2 | Confident | 131 Ų | 131 | 98.5 Ų | 98.5 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | -174.4 | -169.6 | 160.5 | -164.4 | 0 | 0 | 114.9 | A125 V131 L132 K133 | A125-E129 WeakPolarHBondContact O-CB 3.49Å; A125-E129 PolarHBondContact O-N 3.04Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 2.85Å; E129-L132 PolarHBondContact O-N 2.99Å; E129-K133 WeakPolarHBondContact O-CB 3.49Å; E129-K133 PolarHBondContact O-N 3.45Å |
| 130 | P | 79.1 | Confident | 81.4 | Confident | 81 Ų | 81 | 97 Ų | 97 | 53% | 0.526 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 176.6 | 24.7 | -32.2 | 0 | 0 | 0 | 112.3 | V126 K133 A134 | V126-P130 WeakPolarHBondContact O-CD 3.39Å; P130-K133 PolarHBondContact O-N 3.16Å; P130-A134 WeakPolarHBondContact O-CB 3.28Å; P130-A134 PolarHBondContact O-N 3.04Å |
| 131 | V | 82.1 | Confident | 81.8 | Confident | 79 Ų | 79 | 96.3 Ų | 96.3 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 177.7 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | A128 E129 K133 A134 H135 | A128-V131 PolarHBondContact O-N 2.93Å; E129-V131 VanDerWaalsContact C-N 3.34Å; E129-V131 PolarHBondContact O-N 2.85Å; V131-K133 VanDerWaalsContact C-N 3.35Å; V131-K133 PolarHBondContact O-N 3.3Å; V131-A134 PolarHBondContact O-N 3.32Å; V131-H135 PolarHBondContact O-CD2 3.34Å; V131-H135 PolarHBondContact O-N 2.94Å |
| 132 | L | 83.1 | Confident | 82.3 | Confident | 106 Ų | 106 | 95.8 Ų | 95.8 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 175.9 | -74.3 | 169.8 | 0 | 0 | 0 | 111.7 | A128 E129 H135 Q136 | A128-L132 HydrophobicContact CB-CD1 4.28Å; A128-L132 WeakPolarHBondContact O-CB 3.49Å; A128-L132 VanDerWaalsContact O-CG 3.24Å; A128-L132 WeakPolarHBondContact O-CG 3.34Å; A128-L132 PolarHBondContact O-N 2.84Å; E129-L132 PolarHBondContact O-N 2.99Å; L132-H135 PolarHBondContact O-N 2.92Å; L132-Q136 WeakPolarHBondContact O-CG 3.23Å; L132-Q136 PolarHBondContact O-N 3.38Å |
| 133 | K | 86 | Confident | 83 | Confident | 153 Ų | 153 | 98.8 Ų | 98.8 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 178 | -164.3 | 178.3 | -176.3 | 178.9 | 0 | 111.9 | E129 P130 V131 Q136 S137 | E129-K133 WeakPolarHBondContact O-CB 3.49Å; E129-K133 PolarHBondContact O-N 3.45Å; P130-K133 PolarHBondContact O-N 3.16Å; V131-K133 VanDerWaalsContact C-N 3.35Å; V131-K133 PolarHBondContact O-N 3.3Å; K133-Q136 PolarHBondContact O-N 3.36Å; K133-S137 PolarHBondContact O-N 3.34Å; K133-S137 PolarHBondContact O-OG 3.22Å |
| 134 | A | 86.3 | Confident | 84 | Confident | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | P130 V131 S137 H138 | P130-A134 WeakPolarHBondContact O-CB 3.28Å; P130-A134 PolarHBondContact O-N 3.04Å; V131-A134 PolarHBondContact O-N 3.32Å; A134-S137 WeakPolarHBondContact CA-OG 3.47Å; A134-S137 PolarHBondContact O-N 2.81Å; A134-S137 PolarHBondContact O-OG 3.47Å; A134-H138 WeakPolarHBondContact O-CB 3.42Å; A134-H138 PolarHBondContact O-N 2.84Å |
| 135 | H | 89.1 | Confident | 85.3 | Confident | 128 Ų | 128 | 94.4 Ų | 94.4 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 174.8 | -79.8 | -61.1 | 0 | 0 | 0 | 112.5 | V131 L132 H138 S139 | V131-H135 PolarHBondContact O-CD2 3.34Å; V131-H135 PolarHBondContact O-N 2.94Å; L132-H135 PolarHBondContact O-N 2.92Å; H135-H138 PolarHBondContact O-N 2.93Å; H135-S139 VanDerWaalsContact O-CB 3.29Å; H135-S139 WeakPolarHBondContact O-CB 3.31Å; H135-S139 PolarHBondContact O-N 2.83Å |
| 136 | Q | 91.8 | Very high | 87 | Confident | 137 Ų | 137 | 96.6 Ų | 96.6 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 176 | -77.3 | 174.5 | -2.7 | 0 | 0 | 111.9 | L132 K133 S139 A140 | L132-Q136 WeakPolarHBondContact O-CG 3.23Å; L132-Q136 PolarHBondContact O-N 3.38Å; K133-Q136 PolarHBondContact O-N 3.36Å; Q136-S139 PolarHBondContact O-N 2.84Å; Q136-A140 PolarHBondContact O-N 3.1Å |
| 137 | S | 90.3 | Very high | 88.7 | Confident | 61 Ų | 61 | 96.6 Ų | 96.6 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.3 | 53.7 | 0 | 0 | 0 | 0 | 112 | K133 A134 S139 A140 E141 | K133-S137 PolarHBondContact O-N 3.34Å; K133-S137 PolarHBondContact O-OG 3.22Å; A134-S137 WeakPolarHBondContact CA-OG 3.47Å; A134-S137 PolarHBondContact O-N 2.81Å; A134-S137 PolarHBondContact O-OG 3.47Å; S137-S139 PolarHBondContact O-N 3.24Å; S137-A140 PolarHBondContact O-N 3.14Å; S137-E141 WeakPolarHBondContact O-CG 3.38Å; S137-E141 PolarHBondContact O-N 3.19Å |
| 138 | H | 94 | Very high | 90.2 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 177.2 | -106.8 | -6.2 | 0 | 0 | 0 | 112.6 | A134 H135 A140 E141 I142 | A134-H138 WeakPolarHBondContact O-CB 3.42Å; A134-H138 PolarHBondContact O-N 2.84Å; H135-H138 PolarHBondContact O-N 2.93Å; H138-A140 VanDerWaalsContact C-N 3.33Å; H138-A140 PolarHBondContact O-N 2.97Å; H138-E141 IonicContact CE1-OE2 3.57Å; H138-E141 IonicContact ND1-OE2 2.91Å; H138-E141 PolarHBondContact ND1-OE2 3.02Å; H138-E141 PolarHBondContact O-N 2.97Å; H138-I142 VanDerWaalsContact O-CG1 3.26Å; H138-I142 WeakPolarHBondContact O-CG1 3.43Å; H138-I142 PolarHBondContact O-N 3.44Å |
| 139 | S | 94.7 | Very high | 91.6 | Very high | 59 Ų | 59 | 103.1 Ų | 103.1 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 174.9 | -165 | 0 | 0 | 0 | 0 | 111.1 | H135 Q136 S137 E141 I142 E143 | H135-S139 VanDerWaalsContact O-CB 3.29Å; H135-S139 WeakPolarHBondContact O-CB 3.31Å; H135-S139 PolarHBondContact O-N 2.83Å; Q136-S139 PolarHBondContact O-N 2.84Å; S137-S139 PolarHBondContact O-N 3.24Å; S139-E141 PolarHBondContact O-N 3.24Å; S139-I142 PolarHBondContact O-N 2.86Å; S139-E143 WeakPolarHBondContact O-CG 3.48Å; S139-E143 PolarHBondContact O-N 2.96Å |
| 140 | A | 95.5 | Very high | 92.6 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q136 S137 H138 E143 S144 | Q136-A140 PolarHBondContact O-N 3.1Å; S137-A140 PolarHBondContact O-N 3.14Å; H138-A140 VanDerWaalsContact C-N 3.33Å; H138-A140 PolarHBondContact O-N 2.97Å; A140-E143 PolarHBondContact O-N 3.18Å; A140-S144 PolarHBondContact O-N 3.36Å |
| 141 | E | 96.3 | Very high | 93.5 | Very high | 103 Ų | 103 | 102.3 Ų | 102.3 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 173.9 | -74.6 | 170.8 | 179.3 | 0 | 0 | 112.1 | S137 H138 S139 S144 Q145 | S137-E141 WeakPolarHBondContact O-CG 3.38Å; S137-E141 PolarHBondContact O-N 3.19Å; H138-E141 IonicContact CE1-OE2 3.57Å; H138-E141 IonicContact ND1-OE2 2.91Å; H138-E141 PolarHBondContact ND1-OE2 3.02Å; H138-E141 PolarHBondContact O-N 2.97Å; S139-E141 PolarHBondContact O-N 3.24Å; E141-S144 PolarHBondContact O-N 3.01Å; E141-Q145 WeakPolarHBondContact O-CG 3.38Å; E141-Q145 PolarHBondContact O-N 3.44Å |
| 142 | I | 96.3 | Very high | 94.2 | Very high | 93 Ų | 93 | 103.7 Ų | 103.7 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.7 | -70.3 | 166.5 | 0 | 0 | 0 | 110.4 | H138 S139 S144 Q145 I146 | H138-I142 VanDerWaalsContact O-CG1 3.26Å; H138-I142 WeakPolarHBondContact O-CG1 3.43Å; H138-I142 PolarHBondContact O-N 3.44Å; S139-I142 PolarHBondContact O-N 2.86Å; I142-S144 VanDerWaalsContact C-N 3.35Å; I142-S144 PolarHBondContact O-N 3.5Å; I142-Q145 PolarHBondContact O-N 3.16Å; I142-I146 HydrophobicContact CG2-CD1 3.89Å; I142-I146 HydrophobicContact CG2-CG1 4.46Å; I142-I146 WeakPolarHBondContact O-CG1 3.35Å; I142-I146 PolarHBondContact O-N 2.91Å |
| 143 | E | 96.2 | Very high | 94.9 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.4 | -47.4 | 175.3 | -76.7 | 174.1 | -174 | 0 | 0 | 111.3 | S139 A140 Q145 I146 D147 | S139-E143 WeakPolarHBondContact O-CG 3.48Å; S139-E143 PolarHBondContact O-N 2.96Å; A140-E143 PolarHBondContact O-N 3.18Å; E143-Q145 VanDerWaalsContact C-N 3.3Å; E143-Q145 PolarHBondContact O-N 3.04Å; E143-I146 WeakPolarHBondContact O-CB 3.48Å; E143-I146 PolarHBondContact O-N 3.41Å; E143-I146 VanDerWaalsContact O-N 3.11Å; E143-D147 PolarHBondContact O-N 3.41Å |
| 144 | S | 97.2 | Very high | 95.5 | Very high | 75 Ų | 75 | 98.3 Ų | 98.3 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 113.1 | A140 E141 I142 R148 | A140-S144 PolarHBondContact O-N 3.36Å; E141-S144 PolarHBondContact O-N 3.01Å; I142-S144 VanDerWaalsContact C-N 3.35Å; I142-S144 PolarHBondContact O-N 3.5Å; S144-R148 PolarHBondContact O-N 3.09Å; S144-R148 VanDerWaalsContact O-N 3.14Å |
| 145 | Q | 97.4 | Very high | 96.1 | Very high | 127 Ų | 127 | 100.7 Ų | 100.7 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -40.5 | 174.3 | -75.3 | 179.2 | 12.9 | 0 | 0 | 111.9 | E141 I142 E143 R148 I149 | E141-Q145 WeakPolarHBondContact O-CG 3.38Å; E141-Q145 PolarHBondContact O-N 3.44Å; I142-Q145 PolarHBondContact O-N 3.16Å; E143-Q145 VanDerWaalsContact C-N 3.3Å; E143-Q145 PolarHBondContact O-N 3.04Å; Q145-R148 PolarHBondContact O-N 3.11Å; Q145-I149 VanDerWaalsContact O-CG1 3.3Å; Q145-I149 WeakPolarHBondContact O-CG1 3.4Å; Q145-I149 PolarHBondContact O-N 2.65Å |
| 146 | I | 97.6 | Very high | 96.5 | Very high | 90 Ų | 90 | 100.2 Ų | 100.2 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 176.1 | -69.6 | 165.9 | 0 | 0 | 0 | 110 | I142 E143 R148 I149 C150 | I142-I146 HydrophobicContact CG2-CD1 3.89Å; I142-I146 HydrophobicContact CG2-CG1 4.46Å; I142-I146 WeakPolarHBondContact O-CG1 3.35Å; I142-I146 PolarHBondContact O-N 2.91Å; E143-I146 WeakPolarHBondContact O-CB 3.48Å; E143-I146 PolarHBondContact O-N 3.41Å; E143-I146 VanDerWaalsContact O-N 3.11Å; I146-R148 VanDerWaalsContact C-N 3.26Å; I146-R148 PolarHBondContact O-N 3.34Å; I146-I149 PolarHBondContact O-N 3.39Å; I146-I149 VanDerWaalsContact O-N 3.09Å; I146-C150 PolarHBondContact O-N 3.13Å; I146-C150 PolarHBondContact O-SG 3.34Å |
| 147 | D | 97.5 | Very high | 96.8 | Very high | 101 Ų | 101 | 101.5 Ų | 101.5 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 178.2 | -70.7 | -20.5 | 0 | 0 | 0 | 111.2 | E143 I149 C150 E151 | E143-D147 PolarHBondContact O-N 3.41Å; D147-I149 PolarHBondContact O-N 2.88Å; D147-C150 WeakPolarHBondContact O-CB 3.25Å; D147-C150 PolarHBondContact O-N 3.06Å; D147-C150 VanDerWaalsContact O-N 3.17Å; D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.14Å |
| 148 | R | 97.9 | Very high | 97.1 | Very high | 190 Ų | 190 | 104.1 Ų | 104.1 | 72% | 0.717 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.7 | -35.6 | 178.3 | -165.9 | 157.1 | -174.1 | 156.6 | 1.6 | 113.4 | S144 Q145 I146 C150 M152 | S144-R148 PolarHBondContact O-N 3.09Å; S144-R148 VanDerWaalsContact O-N 3.14Å; Q145-R148 PolarHBondContact O-N 3.11Å; I146-R148 VanDerWaalsContact C-N 3.26Å; I146-R148 PolarHBondContact O-N 3.34Å; R148-C150 VanDerWaalsContact C-N 3.34Å; R148-M152 WeakPolarHBondContact O-CB 3.33Å; R148-M152 PolarHBondContact O-N 2.86Å |
| 149 | I | 97.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 100.9 Ų | 100.9 | 55% | 0.554 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 173.2 | -67.9 | 169.2 | 0 | 0 | 0 | 110.1 | Q145 I146 D147 M152 G153 | Q145-I149 VanDerWaalsContact O-CG1 3.3Å; Q145-I149 WeakPolarHBondContact O-CG1 3.4Å; Q145-I149 PolarHBondContact O-N 2.65Å; I146-I149 PolarHBondContact O-N 3.39Å; I146-I149 VanDerWaalsContact O-N 3.09Å; D147-I149 PolarHBondContact O-N 2.88Å; I149-M152 PolarHBondContact O-N 3.25Å; I149-G153 PolarHBondContact O-N 2.87Å |
| 150 | C | 97.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 102 Ų | 102 | 48% | 0.48 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 175.4 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | I146 D147 R148 M152 G153 E154 | I146-C150 PolarHBondContact O-N 3.13Å; I146-C150 PolarHBondContact O-SG 3.34Å; D147-C150 WeakPolarHBondContact O-CB 3.25Å; D147-C150 PolarHBondContact O-N 3.06Å; D147-C150 VanDerWaalsContact O-N 3.17Å; R148-C150 VanDerWaalsContact C-N 3.34Å; C150-M152 VanDerWaalsContact C-N 3.35Å; C150-M152 PolarHBondContact O-N 3.48Å; C150-G153 PolarHBondContact O-N 2.73Å; C150-G153 VanDerWaalsContact O-N 3.13Å; C150-E154 PolarHBondContact O-N 3.07Å |
| 151 | E | 97.6 | Very high | 97.6 | Very high | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.3 | -47 | 174.4 | -73.1 | 179.3 | 176.5 | 0 | 0 | 111.5 | D147 G153 E154 V155 | D147-E151 WeakPolarHBondContact O-CG 3.33Å; D147-E151 PolarHBondContact O-N 3.14Å; E151-G153 VanDerWaalsContact C-N 3.28Å; E151-G153 PolarHBondContact O-N 3.42Å; E151-E154 WeakPolarHBondContact O-CB 3.48Å; E151-E154 PolarHBondContact O-N 3.48Å; E151-E154 VanDerWaalsContact O-N 3.12Å; E151-V155 WeakPolarHBondContact O-CG2 3.34Å; E151-V155 PolarHBondContact O-N 3.08Å |
| 152 | M | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.9 | -176.7 | 170.5 | 62.1 | 0 | 0 | 111.6 | R148 I149 C150 E154 V155 M156 | R148-M152 WeakPolarHBondContact O-CB 3.33Å; R148-M152 PolarHBondContact O-N 2.86Å; I149-M152 PolarHBondContact O-N 3.25Å; C150-M152 VanDerWaalsContact C-N 3.35Å; C150-M152 PolarHBondContact O-N 3.48Å; M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 PolarHBondContact O-N 3.42Å; M152-V155 PolarHBondContact O-N 3.34Å; M152-M156 HydrophobicContact CG-CG 4.43Å; M152-M156 HydrophobicContact CG-SD 4.2Å; M152-M156 WeakPolarHBondContact O-CB 3.49Å; M152-M156 WeakPolarHBondContact O-CG 3.43Å; M152-M156 PolarHBondContact O-N 3.16Å |
| 153 | G | 98.1 | Very high | 97.7 | Very high | 22 Ų | 22 | 103.2 Ų | 103.2 | 23% | 0.227 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I149 C150 E151 R157 | I149-G153 PolarHBondContact O-N 2.87Å; C150-G153 PolarHBondContact O-N 2.73Å; C150-G153 VanDerWaalsContact O-N 3.13Å; E151-G153 VanDerWaalsContact C-N 3.28Å; E151-G153 PolarHBondContact O-N 3.42Å; G153-R157 WeakPolarHBondContact O-CG 3.45Å; G153-R157 PolarHBondContact O-N 3.1Å |
| 154 | E | 98 | Very high | 97.8 | Very high | 124 Ų | 124 | 102.2 Ų | 102.2 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.8 | -46.7 | 173.7 | -70.7 | -177.8 | 175.2 | 0 | 0 | 112.2 | C150 E151 M152 M156 R157 K158 | C150-E154 PolarHBondContact O-N 3.07Å; E151-E154 WeakPolarHBondContact O-CB 3.48Å; E151-E154 PolarHBondContact O-N 3.48Å; E151-E154 VanDerWaalsContact O-N 3.12Å; M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 PolarHBondContact O-N 3.42Å; E154-M156 PolarHBondContact O-N 3.33Å; E154-R157 VanDerWaalsContact CG-NH2 3.29Å; E154-R157 PolarHBondContact O-N 3.03Å; E154-K158 PolarHBondContact O-N 3.33Å |
| 155 | V | 98.1 | Very high | 97.8 | Very high | 102 Ų | 102 | 102.5 Ų | 102.5 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | E151 M152 R157 K158 A159 | E151-V155 WeakPolarHBondContact O-CG2 3.34Å; E151-V155 PolarHBondContact O-N 3.08Å; M152-V155 PolarHBondContact O-N 3.34Å; V155-R157 PolarHBondContact O-N 3.38Å; V155-K158 PolarHBondContact O-N 2.91Å; V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.12Å |
| 156 | M | 97.9 | Very high | 97.9 | Very high | 119 Ų | 119 | 101 Ų | 101 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 177.6 | -76.1 | 179.3 | 73.9 | 0 | 0 | 111.7 | M152 E154 K158 A159 V160 | M152-M156 HydrophobicContact CG-CG 4.43Å; M152-M156 HydrophobicContact CG-SD 4.2Å; M152-M156 WeakPolarHBondContact O-CB 3.49Å; M152-M156 WeakPolarHBondContact O-CG 3.43Å; M152-M156 PolarHBondContact O-N 3.16Å; E154-M156 PolarHBondContact O-N 3.33Å; M156-K158 VanDerWaalsContact C-N 3.29Å; M156-K158 PolarHBondContact O-N 3.15Å; M156-A159 PolarHBondContact O-N 3.03Å; M156-V160 WeakPolarHBondContact O-CG2 3.42Å; M156-V160 PolarHBondContact O-N 3.44Å |
| 157 | R | 98 | Very high | 97.9 | Very high | 163 Ų | 163 | 102.9 Ų | 102.9 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -41.2 | 175.4 | -78.4 | -173.4 | -65.8 | -102.7 | 2.3 | 111.7 | G153 E154 V155 V160 Q161 | G153-R157 WeakPolarHBondContact O-CG 3.45Å; G153-R157 PolarHBondContact O-N 3.1Å; E154-R157 VanDerWaalsContact CG-NH2 3.29Å; E154-R157 PolarHBondContact O-N 3.03Å; V155-R157 PolarHBondContact O-N 3.38Å; R157-V160 PolarHBondContact O-N 2.84Å; R157-Q161 PolarHBondContact O-N 3.47Å |
| 158 | K | 98 | Very high | 97.9 | Very high | 116 Ų | 116 | 101.1 Ų | 101.1 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 179.1 | -172 | 63.9 | -167.4 | 168.3 | 0 | 112.1 | E154 V155 M156 Q161 V162 | E154-K158 PolarHBondContact O-N 3.33Å; V155-K158 PolarHBondContact O-N 2.91Å; M156-K158 VanDerWaalsContact C-N 3.29Å; M156-K158 PolarHBondContact O-N 3.15Å; K158-Q161 PolarHBondContact O-N 3.1Å; K158-V162 WeakPolarHBondContact O-CG2 3.39Å; K158-V162 PolarHBondContact O-N 2.84Å |
| 159 | A | 97.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 97.4 Ų | 97.4 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V155 M156 Q161 V162 D163 | V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.12Å; M156-A159 PolarHBondContact O-N 3.03Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 2.99Å; A159-V162 PolarHBondContact O-N 3.38Å; A159-D163 PolarHBondContact O-N 2.88Å |
| 160 | V | 97.9 | Very high | 97.9 | Very high | 83 Ų | 83 | 97 Ų | 97 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | M156 R157 V162 D163 D164 | M156-V160 WeakPolarHBondContact O-CG2 3.42Å; M156-V160 PolarHBondContact O-N 3.44Å; R157-V160 PolarHBondContact O-N 2.84Å; V160-V162 VanDerWaalsContact C-N 3.33Å; V160-V162 PolarHBondContact O-N 3.16Å; V160-D163 PolarHBondContact O-N 3.08Å; V160-D164 PolarHBondContact O-N 3.15Å |
| 161 | Q | 97.8 | Very high | 97.9 | Very high | 95 Ų | 95 | 99 Ų | 99 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.7 | -171.8 | -177.6 | 35.1 | 0 | 0 | 112.5 | R157 K158 A159 D163 D164 D165 | R157-Q161 PolarHBondContact O-N 3.47Å; K158-Q161 PolarHBondContact O-N 3.1Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 2.99Å; Q161-D163 VanDerWaalsContact C-N 3.35Å; Q161-D164 PolarHBondContact O-N 3.32Å; Q161-D165 VanDerWaalsContact O-CG 3.32Å; Q161-D165 PolarHBondContact O-N 2.99Å |
| 162 | V | 98 | Very high | 97.9 | Very high | 70 Ų | 70 | 99.1 Ų | 99.1 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 178.1 | 170.4 | 0 | 0 | 0 | 0 | 111 | K158 A159 V160 D165 Q166 | K158-V162 WeakPolarHBondContact O-CG2 3.39Å; K158-V162 PolarHBondContact O-N 2.84Å; A159-V162 PolarHBondContact O-N 3.38Å; V160-V162 VanDerWaalsContact C-N 3.33Å; V160-V162 PolarHBondContact O-N 3.16Å; V162-D165 PolarHBondContact O-N 3.01Å; V162-Q166 WeakPolarHBondContact O-CB 3.4Å; V162-Q166 PolarHBondContact O-N 3.42Å |
| 163 | D | 98 | Very high | 97.9 | Very high | 111 Ų | 111 | 100.8 Ų | 100.8 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 177 | -77.7 | -6.3 | 0 | 0 | 0 | 111.6 | A159 V160 Q161 Q166 F167 | A159-D163 PolarHBondContact O-N 2.88Å; V160-D163 PolarHBondContact O-N 3.08Å; Q161-D163 VanDerWaalsContact C-N 3.35Å; D163-Q166 PolarHBondContact O-N 2.91Å; D163-F167 WeakPolarHBondContact O-CB 3.32Å; D163-F167 PolarHBondContact O-N 2.89Å |
| 164 | D | 97.8 | Very high | 97.9 | Very high | 96 Ų | 96 | 104.4 Ų | 104.4 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.1 | -74.3 | -21.9 | 0 | 0 | 0 | 111.4 | V160 Q161 Q166 F167 C168 | V160-D164 PolarHBondContact O-N 3.15Å; Q161-D164 PolarHBondContact O-N 3.32Å; D164-Q166 VanDerWaalsContact C-N 3.27Å; D164-Q166 PolarHBondContact O-N 3.44Å; D164-F167 WeakPolarHBondContact O-CB 3.33Å; D164-F167 PolarHBondContact O-N 3.14Å; D164-C168 PolarHBondContact O-N 2.92Å; D164-C168 PolarHBondContact O-SG 3.41Å |
| 165 | D | 97.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 100.9 Ų | 100.9 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 176.1 | -75.6 | -17.6 | 0 | 0 | 0 | 111.6 | Q161 V162 K169 | Q161-D165 VanDerWaalsContact O-CG 3.32Å; Q161-D165 PolarHBondContact O-N 2.99Å; V162-D165 PolarHBondContact O-N 3.01Å; D165-K169 WeakPolarHBondContact O-CG 3.5Å; D165-K169 PolarHBondContact O-N 2.95Å |
| 166 | Q | 97.8 | Very high | 97.9 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.8 | -39.6 | 178.3 | -167.4 | 68.9 | 10.2 | 0 | 0 | 111.3 | V162 D163 D164 K169 I170 | V162-Q166 WeakPolarHBondContact O-CB 3.4Å; V162-Q166 PolarHBondContact O-N 3.42Å; D163-Q166 PolarHBondContact O-N 2.91Å; D164-Q166 VanDerWaalsContact C-N 3.27Å; D164-Q166 PolarHBondContact O-N 3.44Å; Q166-K169 PolarHBondContact O-N 3.33Å; Q166-I170 HydrophobicContact CG-CD1 4.19Å; Q166-I170 VanDerWaalsContact O-CG1 3.31Å; Q166-I170 WeakPolarHBondContact O-CG1 3.04Å; Q166-I170 PolarHBondContact O-N 3.44Å |
| 167 | F | 97.9 | Very high | 97.9 | Very high | 128 Ų | 128 | 101.3 Ų | 101.3 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -47.2 | 175.6 | 178.7 | -94.8 | 0 | 0 | 0 | 111.4 | D163 D164 K169 I170 Q171 | D163-F167 WeakPolarHBondContact O-CB 3.32Å; D163-F167 PolarHBondContact O-N 2.89Å; D164-F167 WeakPolarHBondContact O-CB 3.33Å; D164-F167 PolarHBondContact O-N 3.14Å; F167-K169 PolarHBondContact O-N 2.97Å; F167-I170 PolarHBondContact O-N 2.95Å; F167-Q171 WeakPolarHBondContact O-CB 3.46Å; F167-Q171 PolarHBondContact O-N 3.44Å |
| 168 | C | 97.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 99.3 Ų | 99.3 | 43% | 0.432 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57 | -46.4 | 175.6 | -70.5 | 0 | 0 | 0 | 0 | 112 | D164 I170 Q171 E172 | D164-C168 PolarHBondContact O-N 2.92Å; D164-C168 PolarHBondContact O-SG 3.41Å; C168-I170 VanDerWaalsContact C-N 3.32Å; C168-I170 PolarHBondContact O-N 2.88Å; C168-Q171 PolarHBondContact O-N 2.88Å; C168-E172 WeakPolarHBondContact O-CG 3.39Å; C168-E172 PolarHBondContact O-N 3.32Å |
| 169 | K | 98.1 | Very high | 97.9 | Very high | 113 Ų | 113 | 98.5 Ų | 98.5 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 177.5 | -70.1 | 167.8 | -170.5 | 162.8 | 0 | 112.9 | D165 Q166 F167 K173 | D165-K169 WeakPolarHBondContact O-CG 3.5Å; D165-K169 PolarHBondContact O-N 2.95Å; Q166-K169 PolarHBondContact O-N 3.33Å; F167-K169 PolarHBondContact O-N 2.97Å; K169-K173 PolarHBondContact O-N 3.41Å; K169-K173 VanDerWaalsContact O-N 3.13Å |
| 170 | I | 97.9 | Very high | 97.8 | Very high | 99 Ų | 99 | 101 Ų | 101 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 177 | -69.5 | 167.3 | 0 | 0 | 0 | 109.8 | Q166 F167 C168 K173 L174 | Q166-I170 HydrophobicContact CG-CD1 4.19Å; Q166-I170 VanDerWaalsContact O-CG1 3.31Å; Q166-I170 WeakPolarHBondContact O-CG1 3.04Å; Q166-I170 PolarHBondContact O-N 3.44Å; F167-I170 PolarHBondContact O-N 2.95Å; C168-I170 VanDerWaalsContact C-N 3.32Å; C168-I170 PolarHBondContact O-N 2.88Å; I170-K173 PolarHBondContact O-N 3.02Å; I170-L174 WeakPolarHBondContact O-CB 3.32Å; I170-L174 PolarHBondContact O-N 3.49Å |
| 171 | Q | 98 | Very high | 97.8 | Very high | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 179.3 | -167.6 | 177.4 | 27.8 | 0 | 0 | 112.1 | F167 C168 L174 A175 | F167-Q171 WeakPolarHBondContact O-CB 3.46Å; F167-Q171 PolarHBondContact O-N 3.44Å; C168-Q171 PolarHBondContact O-N 2.88Å; Q171-L174 PolarHBondContact O-N 3Å; Q171-A175 PolarHBondContact O-N 3.16Å |
| 172 | E | 97.6 | Very high | 97.8 | Very high | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.5 | -47 | 174.5 | -75.4 | 176.6 | 178.6 | 0 | 0 | 112 | C168 L174 A175 Q176 | C168-E172 WeakPolarHBondContact O-CG 3.39Å; C168-E172 PolarHBondContact O-N 3.32Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.38Å; E172-A175 PolarHBondContact O-N 3.1Å; E172-Q176 WeakPolarHBondContact O-CG 3.36Å; E172-Q176 PolarHBondContact O-N 2.89Å |
| 173 | K | 98.1 | Very high | 97.7 | Very high | 144 Ų | 144 | 104.5 Ų | 104.5 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 176.4 | -81.6 | -169.3 | 173.9 | -173.7 | 0 | 112.4 | K169 I170 Q176 L177 | K169-K173 PolarHBondContact O-N 3.41Å; K169-K173 VanDerWaalsContact O-N 3.13Å; I170-K173 PolarHBondContact O-N 3.02Å; K173-Q176 PolarHBondContact O-N 3.43Å; K173-L177 WeakPolarHBondContact O-CG 3.34Å; K173-L177 PolarHBondContact O-N 2.89Å |
| 174 | L | 98.1 | Very high | 97.7 | Very high | 98 Ų | 98 | 103.6 Ų | 103.6 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -49 | 177.1 | -167.1 | 110.1 | 0 | 0 | 0 | 110.3 | I170 Q171 E172 Q176 L177 E178 | I170-L174 WeakPolarHBondContact O-CB 3.32Å; I170-L174 PolarHBondContact O-N 3.49Å; Q171-L174 PolarHBondContact O-N 3Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.38Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.45Å; L174-L177 PolarHBondContact O-N 3.37Å; L174-E178 WeakPolarHBondContact CD2-OE1 3.45Å; L174-E178 WeakPolarHBondContact O-CG 3.26Å; L174-E178 PolarHBondContact O-N 2.89Å |
| 175 | A | 97.9 | Very high | 97.6 | Very high | 51 Ų | 51 | 108 Ų | 108 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q171 E172 E178 L179 | Q171-A175 PolarHBondContact O-N 3.16Å; E172-A175 PolarHBondContact O-N 3.1Å; A175-E178 PolarHBondContact O-N 3.46Å; A175-L179 WeakPolarHBondContact O-CB 3.45Å; A175-L179 PolarHBondContact O-N 2.88Å |
| 176 | Q | 97.9 | Very high | 97.5 | Very high | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -48 | 173.9 | -76 | 175.8 | -0.4 | 0 | 0 | 111.8 | E172 K173 L174 E178 L179 E180 | E172-Q176 WeakPolarHBondContact O-CG 3.36Å; E172-Q176 PolarHBondContact O-N 2.89Å; K173-Q176 PolarHBondContact O-N 3.43Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.45Å; Q176-E178 VanDerWaalsContact C-N 3.34Å; Q176-E178 PolarHBondContact O-N 3.33Å; Q176-L179 PolarHBondContact O-N 2.7Å; Q176-E180 WeakPolarHBondContact O-CB 3.43Å; Q176-E180 PolarHBondContact O-N 3.13Å |
| 177 | L | 98.2 | Very high | 97.4 | Very high | 99 Ų | 99 | 109.4 Ų | 109.4 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 179.3 | -71.9 | 171.5 | 0 | 0 | 0 | 112.8 | K173 L174 N181 | K173-L177 WeakPolarHBondContact O-CG 3.34Å; K173-L177 PolarHBondContact O-N 2.89Å; L174-L177 PolarHBondContact O-N 3.37Å; L177-N181 VanDerWaalsContact O-CB 3.3Å; L177-N181 WeakPolarHBondContact O-CB 3.49Å; L177-N181 PolarHBondContact O-N 2.97Å; L177-N181 PolarHBondContact O-ND2 3.14Å |
| 178 | E | 97.9 | Very high | 97.2 | Very high | 122 Ų | 122 | 109.4 Ų | 109.4 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | 173.8 | -76.7 | 178.6 | 164.8 | 0 | 0 | 111.4 | L174 A175 Q176 N181 K182 | L174-E178 WeakPolarHBondContact CD2-OE1 3.45Å; L174-E178 WeakPolarHBondContact O-CG 3.26Å; L174-E178 PolarHBondContact O-N 2.89Å; A175-E178 PolarHBondContact O-N 3.46Å; Q176-E178 VanDerWaalsContact C-N 3.34Å; Q176-E178 PolarHBondContact O-N 3.33Å; E178-N181 PolarHBondContact O-N 3.37Å; E178-K182 WeakPolarHBondContact O-CB 3.4Å; E178-K182 PolarHBondContact O-N 3.29Å |
| 179 | L | 97.7 | Very high | 97 | Very high | 99 Ų | 99 | 108.8 Ų | 108.8 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 177 | -167 | 154.1 | 0 | 0 | 0 | 110.8 | A175 Q176 N181 K182 E183 | A175-L179 WeakPolarHBondContact O-CB 3.45Å; A175-L179 PolarHBondContact O-N 2.88Å; Q176-L179 PolarHBondContact O-N 2.7Å; L179-N181 PolarHBondContact O-N 3.05Å; L179-K182 WeakPolarHBondContact O-CB 3.45Å; L179-K182 PolarHBondContact O-N 2.88Å; L179-K182 VanDerWaalsContact O-N 3.1Å; L179-E183 HydrophobicContact CD2-CG 3.98Å; L179-E183 VanDerWaalsContact CD2-OE1 3.26Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.38Å; L179-E183 WeakPolarHBondContact O-CG 3.28Å; L179-E183 PolarHBondContact O-N 3.39Å |
| 180 | E | 97.6 | Very high | 96.8 | Very high | 102 Ų | 102 | 108.3 Ų | 108.3 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.6 | -172.8 | -178.9 | -176.5 | 0 | 0 | 111.5 | Q176 K182 E183 L184 | Q176-E180 WeakPolarHBondContact O-CB 3.43Å; Q176-E180 PolarHBondContact O-N 3.13Å; E180-K182 VanDerWaalsContact C-N 3.29Å; E180-K182 PolarHBondContact O-N 3.46Å; E180-E183 PolarHBondContact O-N 3.42Å; E180-L184 HydrophobicContact CG-CD1 4.06Å; E180-L184 HydrophobicContact CG-CG 4.38Å; E180-L184 WeakPolarHBondContact O-CB 3.41Å; E180-L184 VanDerWaalsContact O-CG 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.44Å; E180-L184 PolarHBondContact O-N 2.95Å |
| 181 | N | 97.3 | Very high | 96.5 | Very high | 84 Ų | 84 | 106.7 Ų | 106.7 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 174.7 | -96.5 | -80.1 | 0 | 0 | 0 | 112.6 | L177 E178 L179 R185 | L177-N181 VanDerWaalsContact O-CB 3.3Å; L177-N181 WeakPolarHBondContact O-CB 3.49Å; L177-N181 PolarHBondContact O-N 2.97Å; L177-N181 PolarHBondContact O-ND2 3.14Å; E178-N181 PolarHBondContact O-N 3.37Å; L179-N181 PolarHBondContact O-N 3.05Å; N181-R185 WeakPolarHBondContact O-CB 3.48Å; N181-R185 VanDerWaalsContact O-CG 3.22Å; N181-R185 WeakPolarHBondContact O-CG 3.36Å; N181-R185 PolarHBondContact O-N 3.48Å |
| 182 | K | 97.6 | Very high | 95.9 | Very high | 133 Ų | 133 | 103.7 Ų | 103.7 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -48.6 | 177.5 | -173.5 | -176.8 | 174 | -168.6 | 0 | 110.6 | E178 L179 E180 L184 R185 E186 | E178-K182 WeakPolarHBondContact O-CB 3.4Å; E178-K182 PolarHBondContact O-N 3.29Å; L179-K182 WeakPolarHBondContact O-CB 3.45Å; L179-K182 PolarHBondContact O-N 2.88Å; L179-K182 VanDerWaalsContact O-N 3.1Å; E180-K182 VanDerWaalsContact C-N 3.29Å; E180-K182 PolarHBondContact O-N 3.46Å; K182-L184 PolarHBondContact O-N 3.12Å; K182-R185 PolarHBondContact O-N 2.94Å; K182-E186 WeakPolarHBondContact CE-OE1 3.42Å; K182-E186 WeakPolarHBondContact O-CG 3.41Å; K182-E186 PolarHBondContact O-N 3.48Å |
| 183 | E | 96.6 | Very high | 95.4 | Very high | 104 Ų | 104 | 103.2 Ų | 103.2 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.6 | -70.6 | -178.1 | 161.7 | 0 | 0 | 112.1 | L179 E180 R185 E186 L187 | L179-E183 HydrophobicContact CD2-CG 3.98Å; L179-E183 VanDerWaalsContact CD2-OE1 3.26Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.38Å; L179-E183 WeakPolarHBondContact O-CG 3.28Å; L179-E183 PolarHBondContact O-N 3.39Å; E180-E183 PolarHBondContact O-N 3.42Å; E183-R185 VanDerWaalsContact C-N 3.31Å; E183-R185 PolarHBondContact O-N 3.13Å; E183-E186 PolarHBondContact O-N 2.94Å; E183-L187 WeakPolarHBondContact O-CB 3.43Å; E183-L187 WeakPolarHBondContact O-CG 3.48Å; E183-L187 PolarHBondContact O-N 2.87Å |
| 184 | L | 97.2 | Very high | 94.6 | Very high | 93 Ų | 93 | 99.5 Ų | 99.5 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 176 | -73.5 | 172.7 | 0 | 0 | 0 | 111.9 | E180 K182 L188 | E180-L184 HydrophobicContact CG-CD1 4.06Å; E180-L184 HydrophobicContact CG-CG 4.38Å; E180-L184 WeakPolarHBondContact O-CB 3.41Å; E180-L184 VanDerWaalsContact O-CG 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.44Å; E180-L184 PolarHBondContact O-N 2.95Å; K182-L184 PolarHBondContact O-N 3.12Å; L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 PolarHBondContact O-N 3.44Å |
| 185 | R | 95.9 | Very high | 93.6 | Very high | 187 Ų | 187 | 99.9 Ų | 99.9 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -40.6 | 174.9 | -74.6 | 173.4 | -177.8 | -141.4 | 3 | 112.1 | N181 K182 E183 L188 S189 | N181-R185 WeakPolarHBondContact O-CB 3.48Å; N181-R185 VanDerWaalsContact O-CG 3.22Å; N181-R185 WeakPolarHBondContact O-CG 3.36Å; N181-R185 PolarHBondContact O-N 3.48Å; K182-R185 PolarHBondContact O-N 2.94Å; E183-R185 VanDerWaalsContact C-N 3.31Å; E183-R185 PolarHBondContact O-N 3.13Å; R185-L188 PolarHBondContact O-N 3.28Å; R185-S189 PolarHBondContact O-N 3.43Å |
| 186 | E | 95.6 | Very high | 92.5 | Very high | 98 Ų | 98 | 103.3 Ų | 103.3 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.3 | -73.2 | 175.4 | -171.1 | 0 | 0 | 111.2 | K182 E183 L188 S189 I190 | K182-E186 WeakPolarHBondContact CE-OE1 3.42Å; K182-E186 WeakPolarHBondContact O-CG 3.41Å; K182-E186 PolarHBondContact O-N 3.48Å; E183-E186 PolarHBondContact O-N 2.94Å; E186-L188 VanDerWaalsContact C-N 3.28Å; E186-L188 PolarHBondContact O-N 2.94Å; E186-S189 WeakPolarHBondContact O-CB 3.43Å; E186-S189 PolarHBondContact O-N 3.19Å; E186-S189 VanDerWaalsContact O-N 3.15Å; E186-I190 WeakPolarHBondContact O-CG1 3.44Å; E186-I190 PolarHBondContact O-N 3.31Å |
| 187 | L | 95.3 | Very high | 91.2 | Very high | 111 Ų | 111 | 99.2 Ų | 99.2 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -40.5 | 174.1 | -74.6 | 171.2 | 0 | 0 | 0 | 112.1 | E183 I190 S191 | E183-L187 WeakPolarHBondContact O-CB 3.43Å; E183-L187 WeakPolarHBondContact O-CG 3.48Å; E183-L187 PolarHBondContact O-N 2.87Å; L187-I190 PolarHBondContact O-N 3.35Å; L187-S191 WeakPolarHBondContact O-CB 3.29Å; L187-S191 PolarHBondContact O-N 2.98Å |
| 188 | L | 93.7 | Very high | 89.9 | Confident | 127 Ų | 127 | 103.6 Ų | 103.6 | 67% | 0.665 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -38.4 | 177.4 | -158.7 | 144.7 | 0 | 0 | 0 | 111.5 | L184 R185 E186 S191 S192 | L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 PolarHBondContact O-N 3.44Å; R185-L188 PolarHBondContact O-N 3.28Å; E186-L188 VanDerWaalsContact C-N 3.28Å; E186-L188 PolarHBondContact O-N 2.94Å; L188-S191 PolarHBondContact O-N 2.87Å; L188-S192 WeakPolarHBondContact O-CB 3.43Å; L188-S192 PolarHBondContact O-N 3.43Å; L188-S192 PolarHBondContact O-OG 3.01Å |
| 189 | S | 93.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 105.2 Ų | 105.2 | 36% | 0.357 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 171.7 | -158.7 | 0 | 0 | 0 | 0 | 110.9 | R185 E186 S191 S192 E193 | R185-S189 PolarHBondContact O-N 3.43Å; E186-S189 WeakPolarHBondContact O-CB 3.43Å; E186-S189 PolarHBondContact O-N 3.19Å; E186-S189 VanDerWaalsContact O-N 3.15Å; S189-S191 VanDerWaalsContact C-N 3.33Å; S189-S191 PolarHBondContact O-N 3.36Å; S189-S192 PolarHBondContact O-N 3.17Å; S189-S192 PolarHBondContact O-OG 3.13Å; S189-E193 WeakPolarHBondContact O-CB 3.36Å; S189-E193 WeakPolarHBondContact O-CG 3.49Å; S189-E193 PolarHBondContact O-N 3.41Å; S189-E193 PolarHBondContact OG-OE1 2.93Å |
| 190 | I | 93.5 | Very high | 86.7 | Confident | 104 Ų | 104 | 106.4 Ų | 106.4 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 178.2 | -64.1 | 165.1 | 0 | 0 | 0 | 111.1 | E186 L187 S192 E193 S194 | E186-I190 WeakPolarHBondContact O-CG1 3.44Å; E186-I190 PolarHBondContact O-N 3.31Å; L187-I190 PolarHBondContact O-N 3.35Å; I190-S192 VanDerWaalsContact C-N 3.31Å; I190-S192 PolarHBondContact O-N 3.46Å; I190-E193 PolarHBondContact O-N 2.86Å; I190-S194 WeakPolarHBondContact O-CB 3.44Å; I190-S194 PolarHBondContact O-N 3.5Å; I190-S194 PolarHBondContact O-OG 3.42Å |
| 191 | S | 90.7 | Very high | 84.9 | Confident | 64 Ų | 64 | 106.6 Ų | 106.6 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | L187 L188 S189 S194 L195 | L187-S191 WeakPolarHBondContact O-CB 3.29Å; L187-S191 PolarHBondContact O-N 2.98Å; L188-S191 PolarHBondContact O-N 2.87Å; S189-S191 VanDerWaalsContact C-N 3.33Å; S189-S191 PolarHBondContact O-N 3.36Å; S191-S194 WeakPolarHBondContact CA-OG 3.47Å; S191-S194 PolarHBondContact O-OG 3.01Å; S191-L195 WeakPolarHBondContact O-CB 3.48Å; S191-L195 WeakPolarHBondContact O-CD1 3.45Å; S191-L195 WeakPolarHBondContact O-CG 3.47Å; S191-L195 PolarHBondContact O-N 3.02Å; S191-L195 VanDerWaalsContact O-N 3.1Å |
| 192 | S | 86.6 | Confident | 83 | Confident | 51 Ų | 51 | 105.5 Ų | 105.5 | 36% | 0.357 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.6 | -44.2 | 177.8 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | L188 S189 I190 S194 L195 Q196 | L188-S192 WeakPolarHBondContact O-CB 3.43Å; L188-S192 PolarHBondContact O-N 3.43Å; L188-S192 PolarHBondContact O-OG 3.01Å; S189-S192 PolarHBondContact O-N 3.17Å; S189-S192 PolarHBondContact O-OG 3.13Å; I190-S192 VanDerWaalsContact C-N 3.31Å; I190-S192 PolarHBondContact O-N 3.46Å; S192-S194 PolarHBondContact O-N 2.91Å; S192-L195 PolarHBondContact O-N 3.48Å; S192-Q196 WeakPolarHBondContact O-CB 3.43Å; S192-Q196 PolarHBondContact O-N 3.02Å |
| 193 | E | 86.6 | Confident | 81.1 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 176.3 | -72.7 | 166.4 | -147.9 | 0 | 0 | 111.3 | S189 I190 Q196 A197 | S189-E193 WeakPolarHBondContact O-CB 3.36Å; S189-E193 WeakPolarHBondContact O-CG 3.49Å; S189-E193 PolarHBondContact O-N 3.41Å; S189-E193 PolarHBondContact OG-OE1 2.93Å; I190-E193 PolarHBondContact O-N 2.86Å; E193-Q196 PolarHBondContact O-N 2.81Å; E193-A197 WeakPolarHBondContact O-CB 3.38Å; E193-A197 PolarHBondContact O-N 3.31Å |
| 194 | S | 81 | Confident | 79 | Confident | 66 Ų | 66 | 105.6 Ų | 105.6 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | I190 S191 S192 Q196 R198 | I190-S194 WeakPolarHBondContact O-CB 3.44Å; I190-S194 PolarHBondContact O-N 3.5Å; I190-S194 PolarHBondContact O-OG 3.42Å; S191-S194 WeakPolarHBondContact CA-OG 3.47Å; S191-S194 PolarHBondContact O-OG 3.01Å; S192-S194 PolarHBondContact O-N 2.91Å; S194-Q196 VanDerWaalsContact C-N 3.34Å; S194-R198 WeakPolarHBondContact O-CB 3.41Å; S194-R198 PolarHBondContact O-N 3.41Å |
| 195 | L | 76.9 | Confident | 77 | Confident | 106 Ų | 106 | 105.5 Ų | 105.5 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.9 | -38.2 | 171.4 | -86.2 | 165.5 | 0 | 0 | 0 | 112 | S191 S192 R198 K199 | S191-L195 WeakPolarHBondContact O-CB 3.48Å; S191-L195 WeakPolarHBondContact O-CD1 3.45Å; S191-L195 WeakPolarHBondContact O-CG 3.47Å; S191-L195 PolarHBondContact O-N 3.02Å; S191-L195 VanDerWaalsContact O-N 3.1Å; S192-L195 PolarHBondContact O-N 3.48Å; L195-R198 PolarHBondContact O-N 2.96Å; L195-K199 PolarHBondContact O-N 3.17Å |
| 196 | Q | 75.4 | Confident | 74.8 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.4 | -45.3 | 179.2 | -153.8 | 152.6 | -0.1 | 0 | 0 | 110.9 | S192 E193 S194 R198 K199 E200 | S192-Q196 WeakPolarHBondContact O-CB 3.43Å; S192-Q196 PolarHBondContact O-N 3.02Å; E193-Q196 PolarHBondContact O-N 2.81Å; S194-Q196 VanDerWaalsContact C-N 3.34Å; Q196-R198 VanDerWaalsContact C-N 3.31Å; Q196-R198 PolarHBondContact O-N 3.45Å; Q196-K199 WeakPolarHBondContact O-CB 3.38Å; Q196-K199 PolarHBondContact O-N 3.19Å; Q196-K199 VanDerWaalsContact O-N 3.11Å; Q196-E200 PolarHBondContact O-N 3.48Å |
| 197 | A | 70.8 | Confident | 72.7 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E193 N201 | E193-A197 WeakPolarHBondContact O-CB 3.38Å; E193-A197 PolarHBondContact O-N 3.31Å; A197-N201 WeakPolarHBondContact O-CB 3.49Å; A197-N201 VanDerWaalsContact O-CG 3.27Å; A197-N201 PolarHBondContact O-N 3.08Å; A197-N201 PolarHBondContact O-ND2 2.94Å |
| 198 | R | 71.3 | Confident | 70.6 | Confident | 191 Ų | 191 | 100.7 Ų | 100.7 | 72% | 0.721 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.3 | -36.6 | 173.6 | -173 | 176 | -179.6 | -174.1 | 0.6 | 112.5 | S194 L195 Q196 S202 | S194-R198 WeakPolarHBondContact O-CB 3.41Å; S194-R198 PolarHBondContact O-N 3.41Å; L195-R198 PolarHBondContact O-N 2.96Å; Q196-R198 VanDerWaalsContact C-N 3.31Å; Q196-R198 PolarHBondContact O-N 3.45Å; R198-S202 PolarHBondContact O-N 2.96Å |
| 199 | K | 66.5 | Low | 68.3 | Low | 156 Ų | 156 | 98.5 Ų | 98.5 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.3 | -45.3 | 173.9 | -100.1 | 179.7 | 175.2 | 177.8 | 0 | 111.6 | L195 Q196 S202 M203 | L195-K199 PolarHBondContact O-N 3.17Å; Q196-K199 WeakPolarHBondContact O-CB 3.38Å; Q196-K199 PolarHBondContact O-N 3.19Å; Q196-K199 VanDerWaalsContact O-N 3.11Å; K199-S202 PolarHBondContact O-N 2.83Å; K199-S202 PolarHBondContact O-OG 2.93Å; K199-M203 PolarHBondContact O-N 3.45Å |
| 200 | E | 60.5 | Low | 66.2 | Low | 125 Ų | 125 | 103.1 Ų | 103.1 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.4 | -46.3 | 175 | -79.4 | 178 | 160.1 | 0 | 0 | 111.5 | Q196 S202 M203 D204 | Q196-E200 PolarHBondContact O-N 3.48Å; E200-S202 VanDerWaalsContact C-N 3.28Å; E200-S202 PolarHBondContact O-N 3.34Å; E200-M203 PolarHBondContact O-N 3.27Å; E200-D204 PolarHBondContact O-N 3.46Å |
| 201 | N | 59.5 | Low | 63.6 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 57% | 0.567 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.7 | -30.1 | 175 | -74.3 | -29.8 | 0 | 0 | 0 | 113.6 | A197 T205 | A197-N201 WeakPolarHBondContact O-CB 3.49Å; A197-N201 VanDerWaalsContact O-CG 3.27Å; A197-N201 PolarHBondContact O-N 3.08Å; A197-N201 PolarHBondContact O-ND2 2.94Å; N201-T205 PolarHBondContact O-N 3.49Å; N201-T205 VanDerWaalsContact O-N 3.15Å; N201-T205 PolarHBondContact O-OG1 2.94Å |
| 202 | S | 58.5 | Low | 62.3 | Low | 61 Ų | 61 | 112.6 Ų | 112.6 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.9 | -30.3 | 172.8 | 80.2 | 0 | 0 | 0 | 0 | 113.5 | R198 K199 E200 T205 A206 | R198-S202 PolarHBondContact O-N 2.96Å; K199-S202 PolarHBondContact O-N 2.83Å; K199-S202 PolarHBondContact O-OG 2.93Å; E200-S202 VanDerWaalsContact C-N 3.28Å; E200-S202 PolarHBondContact O-N 3.34Å; S202-T205 WeakPolarHBondContact CA-OG1 3.26Å; S202-T205 PolarHBondContact O-OG1 2.9Å; S202-A206 VanDerWaalsContact O-CB 3.28Å; S202-A206 WeakPolarHBondContact O-CB 3.47Å; S202-A206 PolarHBondContact O-N 3.34Å |
| 203 | M | 57.2 | Low | 61 | Low | 135 Ų | 135 | 115.8 Ų | 115.8 | 67% | 0.665 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.8 | -34.5 | 175.1 | -79.8 | -176.6 | 158.8 | 0 | 0 | 111.6 | K199 E200 S207 | K199-M203 PolarHBondContact O-N 3.45Å; E200-M203 PolarHBondContact O-N 3.27Å; M203-S207 VanDerWaalsContact O-CB 3.32Å; M203-S207 WeakPolarHBondContact O-CB 3.33Å; M203-S207 PolarHBondContact O-N 2.96Å; M203-S207 PolarHBondContact O-OG 3.31Å |
| 204 | D | 52.9 | Low | 59.6 | Low | 104 Ų | 104 | 115.9 Ų | 115.9 | 56% | 0.556 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.5 | -38.4 | 174.2 | -84.5 | -19 | 0 | 0 | 0 | 112.6 | E200 S207 Q208 | E200-D204 PolarHBondContact O-N 3.46Å; D204-S207 PolarHBondContact O-N 3.37Å; D204-Q208 PolarHBondContact O-N 3.06Å |
| 205 | T | 53.9 | Low | 58.3 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.8 | -33.3 | 173.1 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | N201 S202 S207 A209 | N201-T205 PolarHBondContact O-N 3.49Å; N201-T205 VanDerWaalsContact O-N 3.15Å; N201-T205 PolarHBondContact O-OG1 2.94Å; S202-T205 WeakPolarHBondContact CA-OG1 3.26Å; S202-T205 PolarHBondContact O-OG1 2.9Å; T205-S207 VanDerWaalsContact C-N 3.35Å; T205-A209 PolarHBondContact O-N 3.22Å |
| 206 | A | 50.1 | Low | 57.2 | Low | 55 Ų | 55 | 119.6 Ų | 119.6 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69 | -31.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S202 | S202-A206 VanDerWaalsContact O-CB 3.28Å; S202-A206 WeakPolarHBondContact O-CB 3.47Å; S202-A206 PolarHBondContact O-N 3.34Å |
| 207 | S | 52 | Low | 55.9 | Low | 82 Ų | 82 | 119.3 Ų | 119.3 | 57% | 0.573 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -79.5 | -24.5 | 177.8 | -60.2 | 0 | 0 | 0 | 0 | 113.5 | M203 D204 T205 | M203-S207 VanDerWaalsContact O-CB 3.32Å; M203-S207 WeakPolarHBondContact O-CB 3.33Å; M203-S207 PolarHBondContact O-N 2.96Å; M203-S207 PolarHBondContact O-OG 3.31Å; D204-S207 PolarHBondContact O-N 3.37Å; T205-S207 VanDerWaalsContact C-N 3.35Å |
| 208 | Q | 50.4 | Low | 54.9 | Low | 158 Ų | 158 | 124.8 Ų | 124.8 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -83.1 | -17.6 | 172 | -79.3 | -177 | -6.9 | 0 | 0 | 114.2 | D204 I210 | D204-Q208 PolarHBondContact O-N 3.06Å; Q208-I210 VanDerWaalsContact C-N 3.32Å |
| 209 | A | 47.1 | Very low | 53.6 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 67% | 0.669 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -1.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T205 | T205-A209 PolarHBondContact O-N 3.22Š|
| 210 | I | 48.4 | Very low | 52.6 | Low | 149 Ų | 149 | 116.7 Ų | 116.7 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 18.4 | -177.1 | -57.4 | 174.4 | 0 | 0 | 0 | 111.9 | Q208 | Q208-I210 VanDerWaalsContact C-N 3.32Š|
| 211 | K | 40.3 | Very low | 51.8 | Low | 254 Ų | 254 | 115.9 Ų | 115.9 | 100% | 1.104 | 64% | 0.643 | S | S | * | * | trans | -125 | 0 | 166 | -88.9 | -176.7 | 175.2 | 176 | 0 | 110.4 |
Retrieved 211 of 211 residues in 139.8 ms
(Link to these results)