| 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 | 46.7 | Very low | 67.2 | Low | 245 Ų | 245 | 117.9 Ų | 117.9 | 100% | 1.207 | 64% | 0.64 | S | S | * | * | 0 | 92.6 | 0 | -78.5 | 175.7 | 173.5 | 0 | 0 | 106.4 | A3 | M1-A3 PolarHBondContact O-N 2.96Š| |||
| 2 | E | 45.9 | Very low | 69.3 | Low | 195 Ų | 195 | 112.8 Ų | 112.8 | 91% | 0.911 | 63% | 0.625 | S | S | * | * | trans | -71.5 | 106.3 | 177.6 | -70.3 | -176.5 | 161.3 | 0 | 0 | 108 | T4 | E2-T4 PolarHBondContact O-N 3.42Š| ||
| 3 | A | 55.6 | Low | 71.2 | Confident | 72 Ų | 72 | 112.4 Ų | 112.4 | 60% | 0.595 | 62% | 0.62 | S | S | * | * | trans | -64.4 | 116.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | M1 | M1-A3 PolarHBondContact O-N 2.96Š| ||
| 4 | T | 54.4 | Low | 72.9 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | trans | -61 | 128.1 | -179.9 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | E2 G6 Y7 | E2-T4 PolarHBondContact O-N 3.42Å; T4-G6 PolarHBondContact O-N 3.38Å; T4-Y7 PolarHBondContact O-N 3.37Å | ||
| 5 | P | 64.2 | Low | 74.3 | Confident | 106 Ų | 106 | 116.1 Ų | 116.1 | 69% | 0.688 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57.7 | -26 | -175.4 | 17.4 | -29.1 | 0 | 0 | 0 | 113.2 | Y7 Q8 D9 | P5-Y7 VanDerWaalsContact C-N 3.33Å; P5-Y7 PolarHBondContact O-N 2.9Å; P5-Q8 PolarHBondContact O-N 3.33Å; P5-D9 PolarHBondContact O-N 3.01Å |
| 6 | G | 67.1 | Low | 75.7 | Confident | 42 Ų | 42 | 113.3 Ų | 113.3 | 43% | 0.433 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -28.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T4 I10 | T4-G6 PolarHBondContact O-N 3.38Å; G6-I10 WeakPolarHBondContact O-CD1 3.44Å; G6-I10 VanDerWaalsContact O-CG1 3.24Å; G6-I10 WeakPolarHBondContact O-CG1 3.33Å; G6-I10 PolarHBondContact O-N 3.04Å |
| 7 | Y | 70.2 | Confident | 77 | Confident | 164 Ų | 164 | 112.1 Ų | 112.1 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.3 | -34.8 | -180 | -134.7 | -91.6 | 0 | 0 | 0 | 112 | T4 P5 S11 | T4-Y7 PolarHBondContact O-N 3.37Å; P5-Y7 VanDerWaalsContact C-N 3.33Å; P5-Y7 PolarHBondContact O-N 2.9Å; Y7-S11 PolarHBondContact O-N 3.32Å; Y7-S11 PolarHBondContact O-OG 2.94Å |
| 8 | Q | 72.9 | Confident | 78 | Confident | 134 Ų | 134 | 109.6 Ų | 109.6 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.5 | -38.3 | 176 | -72 | -177.2 | -26.1 | 0 | 0 | 111.9 | P5 S11 A12 | P5-Q8 PolarHBondContact O-N 3.33Å; Q8-S11 PolarHBondContact O-N 3.48Å; Q8-A12 PolarHBondContact O-N 3.28Å |
| 9 | D | 81.6 | Confident | 79 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 65% | 0.647 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.6 | -43.3 | 177.4 | -163.3 | 19.2 | 0 | 0 | 0 | 111.6 | P5 S11 A12 L13 | P5-D9 PolarHBondContact O-N 3.01Å; D9-S11 PolarHBondContact O-N 2.97Å; D9-A12 PolarHBondContact O-N 3.28Å; D9-L13 PolarHBondContact O-N 3.3Å |
| 10 | I | 91.5 | Very high | 79.9 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.7 | -46.8 | 174.1 | -67 | 164.2 | 0 | 0 | 0 | 111 | G6 A12 L13 E14 | G6-I10 WeakPolarHBondContact O-CD1 3.44Å; G6-I10 VanDerWaalsContact O-CG1 3.24Å; G6-I10 WeakPolarHBondContact O-CG1 3.33Å; G6-I10 PolarHBondContact O-N 3.04Å; I10-A12 VanDerWaalsContact C-N 3.31Å; I10-A12 PolarHBondContact O-N 3.27Å; I10-L13 PolarHBondContact O-N 3.14Å; I10-E14 HydrophobicContact CG2-CG 4.33Å; I10-E14 WeakPolarHBondContact O-CG 3.39Å; I10-E14 PolarHBondContact O-N 2.99Å |
| 11 | S | 89.6 | Confident | 80.8 | Confident | 43 Ų | 43 | 102.1 Ų | 102.1 | 30% | 0.301 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.9 | -33.5 | 178.5 | -67 | 0 | 0 | 0 | 0 | 113.5 | Y7 Q8 D9 K15 | Y7-S11 PolarHBondContact O-N 3.32Å; Y7-S11 PolarHBondContact O-OG 2.94Å; Q8-S11 PolarHBondContact O-N 3.48Å; D9-S11 PolarHBondContact O-N 2.97Å; S11-K15 WeakPolarHBondContact O-CG 3.39Å; S11-K15 PolarHBondContact O-N 3.5Å |
| 12 | A | 92.3 | Very high | 83.1 | Confident | 56 Ų | 56 | 93.8 Ų | 93.8 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q8 D9 I10 K15 S16 | Q8-A12 PolarHBondContact O-N 3.28Å; D9-A12 PolarHBondContact O-N 3.28Å; I10-A12 VanDerWaalsContact C-N 3.31Å; I10-A12 PolarHBondContact O-N 3.27Å; A12-K15 PolarHBondContact O-N 3.44Å; A12-S16 PolarHBondContact O-N 3.22Å |
| 13 | L | 93.6 | Very high | 85.6 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -47.4 | 175.9 | -177.9 | 61.7 | 0 | 0 | 0 | 111.8 | D9 I10 K15 S16 V17 | D9-L13 PolarHBondContact O-N 3.3Å; I10-L13 PolarHBondContact O-N 3.14Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.42Å; L13-S16 WeakPolarHBondContact O-CB 3.45Å; L13-S16 PolarHBondContact O-N 2.98Å; L13-S16 VanDerWaalsContact O-N 3.09Å; L13-V17 HydrophobicContact CD1-CG2 4.21Å; L13-V17 HydrophobicContact CG-CG2 4.4Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.95Å |
| 14 | E | 94.6 | Very high | 87.6 | Confident | 122 Ų | 122 | 91.5 Ų | 91.5 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.3 | -43.7 | 177.6 | -74.5 | 175.1 | 154.2 | 0 | 0 | 112 | I10 V17 A18 | I10-E14 HydrophobicContact CG2-CG 4.33Å; I10-E14 WeakPolarHBondContact O-CG 3.39Å; I10-E14 PolarHBondContact O-N 2.99Å; E14-V17 PolarHBondContact O-N 3.34Å; E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 3.04Å |
| 15 | K | 94.9 | Very high | 89.7 | Confident | 158 Ų | 158 | 94.7 Ų | 94.7 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 175.5 | -72.9 | 174.8 | -176.1 | 177.9 | 0 | 112.2 | S11 A12 L13 A18 N19 | S11-K15 WeakPolarHBondContact O-CG 3.39Å; S11-K15 PolarHBondContact O-N 3.5Å; A12-K15 PolarHBondContact O-N 3.44Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.42Å; K15-A18 PolarHBondContact O-N 2.91Å; K15-N19 WeakPolarHBondContact O-CB 3.49Å; K15-N19 PolarHBondContact O-N 3.36Å |
| 16 | S | 96.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 92.6 Ų | 92.6 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 177.8 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | A12 L13 N19 A20 | A12-S16 PolarHBondContact O-N 3.22Å; L13-S16 WeakPolarHBondContact O-CB 3.45Å; L13-S16 PolarHBondContact O-N 2.98Å; L13-S16 VanDerWaalsContact O-N 3.09Å; S16-N19 PolarHBondContact O-N 3.42Å; S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 3.48Å |
| 17 | V | 97 | Very high | 92.7 | Very high | 93 Ų | 93 | 95.7 Ų | 95.7 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111 | L13 E14 N19 A20 G21 | L13-V17 HydrophobicContact CD1-CG2 4.21Å; L13-V17 HydrophobicContact CG-CG2 4.4Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.95Å; E14-V17 PolarHBondContact O-N 3.34Å; V17-N19 VanDerWaalsContact C-N 3.35Å; V17-N19 PolarHBondContact O-N 3.05Å; V17-A20 PolarHBondContact O-N 2.89Å; V17-G21 PolarHBondContact O-N 2.85Å |
| 18 | A | 96.1 | Very high | 94 | Very high | 66 Ų | 66 | 90.6 Ų | 90.6 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E14 K15 G21 S22 | E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 3.04Å; K15-A18 PolarHBondContact O-N 2.91Å; A18-G21 PolarHBondContact O-N 2.93Å; A18-S22 PolarHBondContact O-N 3.31Å |
| 19 | N | 97 | Very high | 95.1 | Very high | 90 Ų | 90 | 89 Ų | 89 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -46 | 174.9 | -178 | 35.6 | 0 | 0 | 0 | 111.8 | K15 S16 V17 G21 S22 Q23 | K15-N19 WeakPolarHBondContact O-CB 3.49Å; K15-N19 PolarHBondContact O-N 3.36Å; S16-N19 PolarHBondContact O-N 3.42Å; V17-N19 VanDerWaalsContact C-N 3.35Å; V17-N19 PolarHBondContact O-N 3.05Å; N19-G21 VanDerWaalsContact C-N 3.32Å; N19-G21 PolarHBondContact O-N 2.95Å; N19-S22 PolarHBondContact O-N 2.87Å; N19-Q23 PolarHBondContact ND2-NE2 3.3Å; N19-Q23 VanDerWaalsContact ND2-NE2 3.16Å; N19-Q23 WeakPolarHBondContact O-CG 3.41Å; N19-Q23 PolarHBondContact O-N 3.42Å; N19-Q23 PolarHBondContact OD1-NE2 3.18Å; N19-Q23 VanDerWaalsContact OD1-NE2 3.15Å |
| 20 | A | 97.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 90 Ų | 90 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S16 V17 S22 Q23 L24 | S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 3.48Å; V17-A20 PolarHBondContact O-N 2.89Å; A20-S22 PolarHBondContact O-N 3.35Å; A20-Q23 PolarHBondContact O-N 3.46Å; A20-L24 WeakPolarHBondContact O-CB 3.42Å; A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.39Å; A20-L24 PolarHBondContact O-N 2.85Å |
| 21 | G | 97.2 | Very high | 96.1 | Very high | 39 Ų | 39 | 90.8 Ų | 90.8 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V17 A18 N19 L24 Y25 | V17-G21 PolarHBondContact O-N 2.85Å; A18-G21 PolarHBondContact O-N 2.93Å; N19-G21 VanDerWaalsContact C-N 3.32Å; N19-G21 PolarHBondContact O-N 2.95Å; G21-L24 PolarHBondContact O-N 3.38Å; G21-Y25 WeakPolarHBondContact O-CB 3.48Å; G21-Y25 PolarHBondContact O-N 3.34Å |
| 22 | S | 96.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 92.8 Ų | 92.8 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | A18 N19 A20 Y25 T26 | A18-S22 PolarHBondContact O-N 3.31Å; N19-S22 PolarHBondContact O-N 2.87Å; A20-S22 PolarHBondContact O-N 3.35Å; S22-Y25 PolarHBondContact O-N 2.98Å; S22-T26 PolarHBondContact O-N 3.46Å; S22-T26 PolarHBondContact O-OG1 3.21Å |
| 23 | Q | 98 | Very high | 96.4 | Very high | 103 Ų | 103 | 93 Ų | 93 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 175.7 | -70.5 | 179.2 | 35.9 | 0 | 0 | 111.8 | N19 A20 Y25 T26 M27 | N19-Q23 PolarHBondContact ND2-NE2 3.3Å; N19-Q23 VanDerWaalsContact ND2-NE2 3.16Å; N19-Q23 WeakPolarHBondContact O-CG 3.41Å; N19-Q23 PolarHBondContact O-N 3.42Å; N19-Q23 PolarHBondContact OD1-NE2 3.18Å; N19-Q23 VanDerWaalsContact OD1-NE2 3.15Å; A20-Q23 PolarHBondContact O-N 3.46Å; Q23-Y25 VanDerWaalsContact C-N 3.34Å; Q23-Y25 PolarHBondContact O-N 2.9Å; Q23-T26 WeakPolarHBondContact O-CB 3.37Å; Q23-T26 PolarHBondContact O-N 3.49Å; Q23-M27 WeakPolarHBondContact O-CG 3.5Å; Q23-M27 PolarHBondContact O-N 3.33Å |
| 24 | L | 97.6 | Very high | 96.4 | Very high | 115 Ų | 115 | 92.4 Ų | 92.4 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 175.8 | -73.3 | 173 | 0 | 0 | 0 | 111.7 | A20 G21 T26 M27 A28 | A20-L24 WeakPolarHBondContact O-CB 3.42Å; A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.39Å; A20-L24 PolarHBondContact O-N 2.85Å; G21-L24 PolarHBondContact O-N 3.38Å; L24-T26 VanDerWaalsContact C-N 3.33Å; L24-T26 PolarHBondContact O-N 2.88Å; L24-M27 PolarHBondContact O-N 3.35Å; L24-A28 WeakPolarHBondContact O-CB 3.38Å; L24-A28 PolarHBondContact O-N 3.3Å |
| 25 | Y | 97.2 | Very high | 96.2 | Very high | 155 Ų | 155 | 91.7 Ų | 91.7 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 174.3 | -172.4 | -100.1 | 0 | 0 | 0 | 111.6 | G21 S22 Q23 M27 A28 H29 | G21-Y25 WeakPolarHBondContact O-CB 3.48Å; G21-Y25 PolarHBondContact O-N 3.34Å; S22-Y25 PolarHBondContact O-N 2.98Å; Q23-Y25 VanDerWaalsContact C-N 3.34Å; Q23-Y25 PolarHBondContact O-N 2.9Å; Y25-M27 PolarHBondContact O-N 3.38Å; Y25-A28 PolarHBondContact O-N 3.48Å; Y25-H29 AromaticContact CD1-CD2 3.6Å; Y25-H29 AromaticContact CD1-NE2 3.81Å; Y25-H29 AromaticContact CE1-CD2 3.31Å; Y25-H29 WeakPolarHBondContact CE1-CD2 3.38Å; Y25-H29 AromaticContact CE1-NE2 3.06Å; Y25-H29 WeakPolarHBondContact CE1-NE2 3.37Å; Y25-H29 AromaticContact CE2-NE2 3.67Å; Y25-H29 AromaticContact CZ-CD2 3.68Å; Y25-H29 AromaticContact CZ-NE2 2.98Å; Y25-H29 PolarHBondContact O-CD2 2.95Å; Y25-H29 PolarHBondContact O-N 2.98Å; Y25-H29 VanDerWaalsContact O-N 3.13Å; Y25-H29 PolarHBondContact OH-NE2 2.87Å |
| 26 | T | 96.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 91.4 Ų | 91.4 | 39% | 0.387 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | S22 Q23 L24 H29 K30 | S22-T26 PolarHBondContact O-N 3.46Å; S22-T26 PolarHBondContact O-OG1 3.21Å; Q23-T26 WeakPolarHBondContact O-CB 3.37Å; Q23-T26 PolarHBondContact O-N 3.49Å; L24-T26 VanDerWaalsContact C-N 3.33Å; L24-T26 PolarHBondContact O-N 2.88Å; T26-H29 PolarHBondContact O-N 3.22Å; T26-K30 HydrophobicContact CG2-CD 4.41Å; T26-K30 WeakPolarHBondContact O-CG 3.46Å; T26-K30 PolarHBondContact O-N 3.34Å |
| 27 | M | 97.4 | Very high | 95.4 | Very high | 106 Ų | 106 | 91.5 Ų | 91.5 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 177 | -74.1 | 175.3 | 65.4 | 0 | 0 | 111.7 | Q23 L24 Y25 H29 K30 L31 | Q23-M27 WeakPolarHBondContact O-CG 3.5Å; Q23-M27 PolarHBondContact O-N 3.33Å; L24-M27 PolarHBondContact O-N 3.35Å; Y25-M27 PolarHBondContact O-N 3.38Å; M27-H29 VanDerWaalsContact C-N 3.3Å; M27-H29 PolarHBondContact O-N 3.3Å; M27-K30 PolarHBondContact O-N 3Å; M27-L31 WeakPolarHBondContact O-CB 3.33Å; M27-L31 WeakPolarHBondContact O-CG 3.36Å; M27-L31 PolarHBondContact O-N 2.86Å |
| 28 | A | 97.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 92.3 Ų | 92.3 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L24 Y25 L31 H32 | L24-A28 WeakPolarHBondContact O-CB 3.38Å; L24-A28 PolarHBondContact O-N 3.3Å; Y25-A28 PolarHBondContact O-N 3.48Å; A28-L31 PolarHBondContact O-N 3.4Å; A28-H32 WeakPolarHBondContact O-CB 3.43Å; A28-H32 PolarHBondContact O-N 3.23Å |
| 29 | H | 96.4 | Very high | 93.8 | Very high | 100 Ų | 100 | 95.1 Ų | 95.1 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.9 | -81.4 | -61.6 | 0 | 0 | 0 | 113.3 | Y25 T26 M27 H32 A33 | Y25-H29 AromaticContact CD1-CD2 3.6Å; Y25-H29 AromaticContact CD1-NE2 3.81Å; Y25-H29 AromaticContact CE1-CD2 3.31Å; Y25-H29 WeakPolarHBondContact CE1-CD2 3.38Å; Y25-H29 AromaticContact CE1-NE2 3.06Å; Y25-H29 WeakPolarHBondContact CE1-NE2 3.37Å; Y25-H29 AromaticContact CE2-NE2 3.67Å; Y25-H29 AromaticContact CZ-CD2 3.68Å; Y25-H29 AromaticContact CZ-NE2 2.98Å; Y25-H29 PolarHBondContact O-CD2 2.95Å; Y25-H29 PolarHBondContact O-N 2.98Å; Y25-H29 VanDerWaalsContact O-N 3.13Å; Y25-H29 PolarHBondContact OH-NE2 2.87Å; T26-H29 PolarHBondContact O-N 3.22Å; M27-H29 VanDerWaalsContact C-N 3.3Å; M27-H29 PolarHBondContact O-N 3.3Å; H29-H32 PolarHBondContact O-N 2.94Å; H29-A33 PolarHBondContact O-N 2.98Å |
| 30 | K | 97.6 | Very high | 92.7 | Very high | 143 Ų | 143 | 95.4 Ų | 95.4 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 177.8 | -73.8 | 179.5 | 179 | -176.7 | 0 | 112.2 | T26 M27 H32 A33 V34 | T26-K30 HydrophobicContact CG2-CD 4.41Å; T26-K30 WeakPolarHBondContact O-CG 3.46Å; T26-K30 PolarHBondContact O-N 3.34Å; M27-K30 PolarHBondContact O-N 3Å; K30-H32 VanDerWaalsContact C-N 3.34Å; K30-A33 PolarHBondContact O-N 3.47Å; K30-V34 WeakPolarHBondContact O-CG2 3.46Å; K30-V34 PolarHBondContact O-N 3.38Å |
| 31 | L | 96.9 | Very high | 91.4 | Very high | 103 Ų | 103 | 95.6 Ų | 95.6 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 175 | -74.8 | 171.7 | 0 | 0 | 0 | 110.5 | M27 A28 A33 V34 E35 | M27-L31 WeakPolarHBondContact O-CB 3.33Å; M27-L31 WeakPolarHBondContact O-CG 3.36Å; M27-L31 PolarHBondContact O-N 2.86Å; A28-L31 PolarHBondContact O-N 3.4Å; L31-A33 VanDerWaalsContact C-N 3.29Å; L31-A33 PolarHBondContact O-N 2.89Å; L31-V34 PolarHBondContact O-N 3.39Å; L31-V34 VanDerWaalsContact O-N 3.07Å; L31-E35 WeakPolarHBondContact O-CG 3.38Å; L31-E35 PolarHBondContact O-N 3.13Å |
| 32 | H | 94.4 | Very high | 90.2 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 39% | 0.394 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 177.1 | -169.1 | 55.4 | 0 | 0 | 0 | 113 | A28 H29 K30 E35 R36 | A28-H32 WeakPolarHBondContact O-CB 3.43Å; A28-H32 PolarHBondContact O-N 3.23Å; H29-H32 PolarHBondContact O-N 2.94Å; K30-H32 VanDerWaalsContact C-N 3.34Å; H32-E35 IonicContact ND1-OE2 3.59Å; H32-R36 PolarHBondContact NE2-NH2 3.32Å; H32-R36 WeakPolarHBondContact O-CB 3.38Å; H32-R36 VanDerWaalsContact O-CG 3.31Å; H32-R36 WeakPolarHBondContact O-CG 3.36Å; H32-R36 PolarHBondContact O-N 2.91Å |
| 33 | A | 94.2 | Very high | 88.9 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H29 K30 L31 S37 | H29-A33 PolarHBondContact O-N 2.98Å; K30-A33 PolarHBondContact O-N 3.47Å; L31-A33 VanDerWaalsContact C-N 3.29Å; L31-A33 PolarHBondContact O-N 2.89Å; A33-S37 PolarHBondContact O-N 3.28Å |
| 34 | V | 93.4 | Very high | 87.8 | Confident | 95 Ų | 95 | 100.4 Ų | 100.4 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.9 | -43.7 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | K30 L31 R36 S37 L38 | K30-V34 WeakPolarHBondContact O-CG2 3.46Å; K30-V34 PolarHBondContact O-N 3.38Å; L31-V34 PolarHBondContact O-N 3.39Å; L31-V34 VanDerWaalsContact O-N 3.07Å; V34-R36 PolarHBondContact O-N 3.36Å; V34-S37 PolarHBondContact O-N 2.9Å; V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 PolarHBondContact O-N 3.18Å |
| 35 | E | 91.5 | Very high | 86.7 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.2 | -49.9 | 175.4 | -72.8 | 169.7 | 166.2 | 0 | 0 | 110.9 | L31 H32 S37 L38 E39 | L31-E35 WeakPolarHBondContact O-CG 3.38Å; L31-E35 PolarHBondContact O-N 3.13Å; H32-E35 IonicContact ND1-OE2 3.59Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.29Å; E35-L38 PolarHBondContact O-N 2.92Å; E35-E39 WeakPolarHBondContact O-CG 3.48Å; E35-E39 PolarHBondContact O-N 3.21Å |
| 36 | R | 88.1 | Confident | 85.5 | Confident | 152 Ų | 152 | 98.6 Ų | 98.6 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.6 | -42.6 | 176.1 | -75.8 | -84.5 | 179.2 | 90.9 | 2.6 | 112.8 | H32 V34 Q40 | H32-R36 PolarHBondContact NE2-NH2 3.32Å; H32-R36 WeakPolarHBondContact O-CB 3.38Å; H32-R36 VanDerWaalsContact O-CG 3.31Å; H32-R36 WeakPolarHBondContact O-CG 3.36Å; H32-R36 PolarHBondContact O-N 2.91Å; V34-R36 PolarHBondContact O-N 3.36Å; R36-Q40 PolarHBondContact O-N 2.86Å; R36-Q40 VanDerWaalsContact O-N 3.17Å |
| 37 | S | 84.5 | Confident | 84.7 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 178.3 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | A33 V34 E35 Q40 T41 | A33-S37 PolarHBondContact O-N 3.28Å; V34-S37 PolarHBondContact O-N 2.9Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.29Å; S37-Q40 PolarHBondContact O-N 2.97Å; S37-T41 WeakPolarHBondContact O-CB 3.47Å; S37-T41 PolarHBondContact O-N 2.88Å; S37-T41 PolarHBondContact O-OG1 3.24Å |
| 38 | L | 82.2 | Confident | 84 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 179.1 | -173.1 | 65.7 | 0 | 0 | 0 | 110.6 | V34 E35 Q40 T41 T42 | V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 PolarHBondContact O-N 3.18Å; E35-L38 PolarHBondContact O-N 2.92Å; L38-Q40 PolarHBondContact O-N 3.03Å; L38-T41 PolarHBondContact O-N 3.32Å; L38-T42 HydrophobicContact CD1-CG2 4.12Å; L38-T42 HydrophobicContact CG-CG2 4.23Å; L38-T42 WeakPolarHBondContact O-CB 3.22Å; L38-T42 VanDerWaalsContact O-CG2 3.27Å; L38-T42 WeakPolarHBondContact O-CG2 3.5Å; L38-T42 PolarHBondContact O-N 3.31Å; L38-T42 PolarHBondContact O-OG1 2.74Å |
| 39 | E | 77.4 | Confident | 83.4 | Confident | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.7 | -49 | 175.2 | -74.2 | 172.8 | 178.4 | 0 | 0 | 111.6 | E35 T42 M43 | E35-E39 WeakPolarHBondContact O-CG 3.48Å; E35-E39 PolarHBondContact O-N 3.21Å; E39-T42 PolarHBondContact O-N 3.39Å; E39-T42 PolarHBondContact O-OG1 3.37Å; E39-M43 PolarHBondContact O-N 2.9Å; E39-M43 VanDerWaalsContact O-N 3.09Å |
| 40 | Q | 74.7 | Confident | 82.8 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 178.6 | -170.4 | 67.2 | 28.9 | 0 | 0 | 112 | R36 S37 L38 M43 E44 | R36-Q40 PolarHBondContact O-N 2.86Å; R36-Q40 VanDerWaalsContact O-N 3.17Å; S37-Q40 PolarHBondContact O-N 2.97Å; L38-Q40 PolarHBondContact O-N 3.03Å; Q40-M43 PolarHBondContact O-N 3.04Å; Q40-E44 PolarHBondContact NE2-OE1 3.43Å; Q40-E44 WeakPolarHBondContact O-CG 3.31Å; Q40-E44 PolarHBondContact O-N 3.02Å; Q40-E44 VanDerWaalsContact O-N 3.1Å |
| 41 | T | 71.2 | Confident | 82.2 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 30% | 0.301 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | -179 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | S37 L38 M43 Q45 | S37-T41 WeakPolarHBondContact O-CB 3.47Å; S37-T41 PolarHBondContact O-N 2.88Å; S37-T41 PolarHBondContact O-OG1 3.24Å; L38-T41 PolarHBondContact O-N 3.32Å; T41-M43 PolarHBondContact O-N 3.44Å; T41-Q45 VanDerWaalsContact CG2-CD 3.41Å; T41-Q45 HydrophobicContact CG2-CG 4.07Å; T41-Q45 VanDerWaalsContact CG2-NE2 3.31Å; T41-Q45 WeakPolarHBondContact O-CB 3.5Å; T41-Q45 VanDerWaalsContact O-CG 3.22Å; T41-Q45 WeakPolarHBondContact O-CG 3.44Å; T41-Q45 PolarHBondContact O-N 3.16Å |
| 42 | T | 71.5 | Confident | 81.9 | Confident | 75 Ų | 75 | 100.3 Ų | 100.3 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 178.8 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | L38 E39 M46 | L38-T42 HydrophobicContact CD1-CG2 4.12Å; L38-T42 HydrophobicContact CG-CG2 4.23Å; L38-T42 WeakPolarHBondContact O-CB 3.22Å; L38-T42 VanDerWaalsContact O-CG2 3.27Å; L38-T42 WeakPolarHBondContact O-CG2 3.5Å; L38-T42 PolarHBondContact O-N 3.31Å; L38-T42 PolarHBondContact O-OG1 2.74Å; E39-T42 PolarHBondContact O-N 3.39Å; E39-T42 PolarHBondContact O-OG1 3.37Å; T42-M46 WeakPolarHBondContact O-CB 3.42Å; T42-M46 PolarHBondContact O-N 2.92Å |
| 43 | M | 68.1 | Low | 81.8 | Confident | 123 Ų | 123 | 101.8 Ų | 101.8 | 61% | 0.606 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.4 | -42 | -179.2 | -162.9 | 167.4 | 70.9 | 0 | 0 | 112 | E39 Q40 T41 D47 | E39-M43 PolarHBondContact O-N 2.9Å; E39-M43 VanDerWaalsContact O-N 3.09Å; Q40-M43 PolarHBondContact O-N 3.04Å; T41-M43 PolarHBondContact O-N 3.44Å; M43-D47 PolarHBondContact O-N 3.03Å |
| 44 | E | 74.9 | Confident | 81.7 | Confident | 115 Ų | 115 | 104.1 Ų | 104.1 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 177 | -70.7 | 176.7 | 170.9 | 0 | 0 | 112.3 | Q40 E48 | Q40-E44 PolarHBondContact NE2-OE1 3.43Å; Q40-E44 WeakPolarHBondContact O-CG 3.31Å; Q40-E44 PolarHBondContact O-N 3.02Å; Q40-E44 VanDerWaalsContact O-N 3.1Å; E44-E48 PolarHBondContact O-N 3.07Å; E44-E48 VanDerWaalsContact O-N 3.1Å |
| 45 | Q | 74.9 | Confident | 81.7 | Confident | 121 Ų | 121 | 104.5 Ų | 104.5 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.5 | -32.6 | 179.4 | -70.8 | -179.4 | -9.1 | 0 | 0 | 112.8 | T41 M49 | T41-Q45 VanDerWaalsContact CG2-CD 3.41Å; T41-Q45 HydrophobicContact CG2-CG 4.07Å; T41-Q45 VanDerWaalsContact CG2-NE2 3.31Å; T41-Q45 WeakPolarHBondContact O-CB 3.5Å; T41-Q45 VanDerWaalsContact O-CG 3.22Å; T41-Q45 WeakPolarHBondContact O-CG 3.44Å; T41-Q45 PolarHBondContact O-N 3.16Å; Q45-M49 VanDerWaalsContact O-CB 3.27Å; Q45-M49 WeakPolarHBondContact O-CB 3.39Å; Q45-M49 PolarHBondContact O-N 3.35Å |
| 46 | M | 72.4 | Confident | 81.7 | Confident | 110 Ų | 110 | 105.4 Ų | 105.4 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 176.1 | -172.8 | 175.6 | 77.1 | 0 | 0 | 110.6 | T42 M49 E50 | T42-M46 WeakPolarHBondContact O-CB 3.42Å; T42-M46 PolarHBondContact O-N 2.92Å; M46-M49 PolarHBondContact O-N 3.45Å; M46-E50 WeakPolarHBondContact O-CB 3.38Å; M46-E50 VanDerWaalsContact O-CG 3.29Å; M46-E50 WeakPolarHBondContact O-CG 3.24Å; M46-E50 PolarHBondContact O-N 3.17Å |
| 47 | D | 80.3 | Confident | 82.1 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 175.4 | -166.5 | 37.6 | 0 | 0 | 0 | 111.4 | M43 V51 | M43-D47 PolarHBondContact O-N 3.03Å; D47-V51 WeakPolarHBondContact O-CB 3.41Å; D47-V51 WeakPolarHBondContact O-CG2 3.4Å; D47-V51 PolarHBondContact O-N 3.03Å |
| 48 | E | 82 | Confident | 82.6 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -43 | 176.4 | -171.5 | 175.8 | -171.2 | 0 | 0 | 112.5 | E44 V51 L52 | E44-E48 PolarHBondContact O-N 3.07Å; E44-E48 VanDerWaalsContact O-N 3.1Å; E48-V51 PolarHBondContact O-N 3.43Å; E48-L52 HydrophobicContact CG-CD1 4.39Å; E48-L52 VanDerWaalsContact O-CG 3.32Å; E48-L52 WeakPolarHBondContact O-CG 3.26Å; E48-L52 PolarHBondContact O-N 3.48Å |
| 49 | M | 84.5 | Confident | 83.2 | Confident | 107 Ų | 107 | 100.5 Ų | 100.5 | 53% | 0.527 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 178.1 | -174.8 | 66.6 | 71 | 0 | 0 | 111.7 | Q45 M46 V51 L52 E53 | Q45-M49 VanDerWaalsContact O-CB 3.27Å; Q45-M49 WeakPolarHBondContact O-CB 3.39Å; Q45-M49 PolarHBondContact O-N 3.35Å; M46-M49 PolarHBondContact O-N 3.45Å; M49-V51 VanDerWaalsContact C-N 3.27Å; M49-V51 PolarHBondContact O-N 2.9Å; M49-L52 PolarHBondContact O-N 3.35Å; M49-L52 VanDerWaalsContact O-N 3.1Å; M49-E53 WeakPolarHBondContact O-CG 3.44Å; M49-E53 PolarHBondContact O-N 3.46Å |
| 50 | E | 83.6 | Confident | 84.1 | Confident | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 177.1 | -75.1 | 179.9 | -170.5 | 0 | 0 | 111.3 | M46 L54 | M46-E50 WeakPolarHBondContact O-CB 3.38Å; M46-E50 VanDerWaalsContact O-CG 3.29Å; M46-E50 WeakPolarHBondContact O-CG 3.24Å; M46-E50 PolarHBondContact O-N 3.17Å; E50-L54 VanDerWaalsContact O-CB 3.27Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 2.95Å |
| 51 | V | 85.9 | Confident | 85.2 | Confident | 68 Ų | 68 | 99.7 Ų | 99.7 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | D47 E48 M49 L54 L55 | D47-V51 WeakPolarHBondContact O-CB 3.41Å; D47-V51 WeakPolarHBondContact O-CG2 3.4Å; D47-V51 PolarHBondContact O-N 3.03Å; E48-V51 PolarHBondContact O-N 3.43Å; M49-V51 VanDerWaalsContact C-N 3.27Å; M49-V51 PolarHBondContact O-N 2.9Å; V51-L54 PolarHBondContact O-N 3.41Å; V51-L55 HydrophobicContact CG1-CD1 4.01Å; V51-L55 HydrophobicContact CG1-CG 4.43Å; V51-L55 WeakPolarHBondContact O-CB 3.5Å; V51-L55 VanDerWaalsContact O-CG 3.25Å; V51-L55 WeakPolarHBondContact O-CG 3.37Å; V51-L55 PolarHBondContact O-N 3.28Å |
| 52 | L | 90.1 | Very high | 86.4 | Confident | 92 Ų | 92 | 100.3 Ų | 100.3 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 176.5 | -74.2 | 172.9 | 0 | 0 | 0 | 112.1 | E48 M49 L54 L55 E56 | E48-L52 HydrophobicContact CG-CD1 4.39Å; E48-L52 VanDerWaalsContact O-CG 3.32Å; E48-L52 WeakPolarHBondContact O-CG 3.26Å; E48-L52 PolarHBondContact O-N 3.48Å; M49-L52 PolarHBondContact O-N 3.35Å; M49-L52 VanDerWaalsContact O-N 3.1Å; L52-L54 VanDerWaalsContact C-N 3.3Å; L52-L54 PolarHBondContact O-N 2.93Å; L52-L55 PolarHBondContact O-N 3.19Å; L52-E56 WeakPolarHBondContact O-CB 3.48Å; L52-E56 PolarHBondContact O-N 3.45Å |
| 53 | E | 92.6 | Very high | 87.6 | Confident | 117 Ų | 117 | 100.5 Ų | 100.5 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.4 | -71.9 | -177 | -179.3 | 0 | 0 | 111.2 | M49 E56 S57 | M49-E53 WeakPolarHBondContact O-CG 3.44Å; M49-E53 PolarHBondContact O-N 3.46Å; E53-E56 PolarHBondContact O-N 3.41Å; E53-S57 WeakPolarHBondContact O-CB 3.43Å; E53-S57 PolarHBondContact O-N 3.37Å; E53-S57 PolarHBondContact O-OG 2.94Å |
| 54 | L | 92.3 | Very high | 89 | Confident | 111 Ų | 111 | 101 Ų | 101 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -44.3 | 174.4 | -179.3 | 62.5 | 0 | 0 | 0 | 111.5 | E50 V51 L52 E56 S57 M58 | E50-L54 VanDerWaalsContact O-CB 3.27Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 2.95Å; V51-L54 PolarHBondContact O-N 3.41Å; L52-L54 VanDerWaalsContact C-N 3.3Å; L52-L54 PolarHBondContact O-N 2.93Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-S57 PolarHBondContact O-N 2.98Å; L54-S57 PolarHBondContact O-OG 3.46Å; L54-M58 VanDerWaalsContact O-CB 3.27Å; L54-M58 WeakPolarHBondContact O-CB 3.37Å; L54-M58 PolarHBondContact O-N 2.85Å |
| 55 | L | 92.2 | Very high | 90.1 | Very high | 102 Ų | 102 | 102.3 Ų | 102.3 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 177 | -72.6 | 169.4 | 0 | 0 | 0 | 112.2 | V51 L52 M58 S59 | V51-L55 HydrophobicContact CG1-CD1 4.01Å; V51-L55 HydrophobicContact CG1-CG 4.43Å; V51-L55 WeakPolarHBondContact O-CB 3.5Å; V51-L55 VanDerWaalsContact O-CG 3.25Å; V51-L55 WeakPolarHBondContact O-CG 3.37Å; V51-L55 PolarHBondContact O-N 3.28Å; L52-L55 PolarHBondContact O-N 3.19Å; L55-M58 PolarHBondContact O-N 3.09Å; L55-S59 WeakPolarHBondContact O-CB 3.42Å; L55-S59 PolarHBondContact O-N 2.84Å |
| 56 | E | 93.3 | Very high | 91.2 | Very high | 127 Ų | 127 | 101.6 Ų | 101.6 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -51.6 | 174.3 | -176 | 166.9 | -155.9 | 0 | 0 | 110.7 | L52 E53 L54 M58 S59 E60 | L52-E56 WeakPolarHBondContact O-CB 3.48Å; L52-E56 PolarHBondContact O-N 3.45Å; E53-E56 PolarHBondContact O-N 3.41Å; L54-E56 VanDerWaalsContact C-N 3.34Å; E56-M58 VanDerWaalsContact C-N 3.27Å; E56-M58 PolarHBondContact O-N 2.87Å; E56-S59 WeakPolarHBondContact O-CA 3.45Å; E56-S59 VanDerWaalsContact O-CB 3.27Å; E56-S59 WeakPolarHBondContact O-CB 3.48Å; E56-S59 PolarHBondContact O-N 3.09Å; E56-E60 WeakPolarHBondContact O-CG 3.45Å; E56-E60 PolarHBondContact O-N 3.25Å |
| 57 | S | 94.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 100.9 Ų | 100.9 | 34% | 0.336 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -38.2 | 176.5 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | E53 L54 E60 V61 | E53-S57 WeakPolarHBondContact O-CB 3.43Å; E53-S57 PolarHBondContact O-N 3.37Å; E53-S57 PolarHBondContact O-OG 2.94Å; L54-S57 PolarHBondContact O-N 2.98Å; L54-S57 PolarHBondContact O-OG 3.46Å; S57-E60 PolarHBondContact O-N 2.93Å; S57-V61 VanDerWaalsContact O-CG2 3.29Å; S57-V61 WeakPolarHBondContact O-CG2 3.35Å; S57-V61 PolarHBondContact O-N 3.44Å |
| 58 | M | 95 | Very high | 93.3 | Very high | 121 Ų | 121 | 100.4 Ų | 100.4 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.3 | -35.1 | 176.4 | -174.2 | 172.2 | 171.4 | 0 | 0 | 112.1 | L54 L55 E56 T62 | L54-M58 VanDerWaalsContact O-CB 3.27Å; L54-M58 WeakPolarHBondContact O-CB 3.37Å; L54-M58 PolarHBondContact O-N 2.85Å; L55-M58 PolarHBondContact O-N 3.09Å; E56-M58 VanDerWaalsContact C-N 3.27Å; E56-M58 PolarHBondContact O-N 2.87Å; M58-T62 WeakPolarHBondContact O-CB 3.33Å; M58-T62 PolarHBondContact O-N 3.25Å; M58-T62 PolarHBondContact O-OG1 3.26Å |
| 59 | S | 95.2 | Very high | 94.1 | Very high | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 172.1 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | L55 E56 T62 N63 | L55-S59 WeakPolarHBondContact O-CB 3.42Å; L55-S59 PolarHBondContact O-N 2.84Å; E56-S59 WeakPolarHBondContact O-CA 3.45Å; E56-S59 VanDerWaalsContact O-CB 3.27Å; E56-S59 WeakPolarHBondContact O-CB 3.48Å; E56-S59 PolarHBondContact O-N 3.09Å; S59-T62 WeakPolarHBondContact O-CB 3.27Å; S59-T62 PolarHBondContact O-N 3.03Å; S59-N63 PolarHBondContact O-N 3.25Å; S59-N63 PolarHBondContact O-ND2 2.89Å |
| 60 | E | 97.1 | Very high | 94.7 | Very high | 109 Ų | 109 | 101.7 Ų | 101.7 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -51.4 | 174.6 | -69.6 | -176.5 | 164 | 0 | 0 | 111.6 | E56 S57 T62 N63 E64 | E56-E60 WeakPolarHBondContact O-CG 3.45Å; E56-E60 PolarHBondContact O-N 3.25Å; S57-E60 PolarHBondContact O-N 2.93Å; E60-T62 PolarHBondContact O-N 3.44Å; E60-N63 WeakPolarHBondContact O-CB 3.36Å; E60-N63 PolarHBondContact O-N 3.02Å; E60-E64 WeakPolarHBondContact O-CG 3.29Å; E60-E64 PolarHBondContact O-N 2.95Å |
| 61 | V | 97.6 | Very high | 95.5 | Very high | 93 Ų | 93 | 100.5 Ų | 100.5 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.7 | -39.1 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | S57 Y65 | S57-V61 VanDerWaalsContact O-CG2 3.29Å; S57-V61 WeakPolarHBondContact O-CG2 3.35Å; S57-V61 PolarHBondContact O-N 3.44Å; V61-Y65 WeakPolarHBondContact O-CB 3.49Å; V61-Y65 PolarHBondContact O-N 3.03Å |
| 62 | T | 95.5 | Very high | 96 | Very high | 63 Ų | 63 | 101.1 Ų | 101.1 | 39% | 0.387 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.6 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | M58 S59 E60 Y65 Q66 | M58-T62 WeakPolarHBondContact O-CB 3.33Å; M58-T62 PolarHBondContact O-N 3.25Å; M58-T62 PolarHBondContact O-OG1 3.26Å; S59-T62 WeakPolarHBondContact O-CB 3.27Å; S59-T62 PolarHBondContact O-N 3.03Å; E60-T62 PolarHBondContact O-N 3.44Å; T62-Y65 PolarHBondContact O-N 3.28Å; T62-Q66 WeakPolarHBondContact O-CG 3.46Å; T62-Q66 PolarHBondContact O-N 3.36Å |
| 63 | N | 97.3 | Very high | 96.4 | Very high | 79 Ų | 79 | 104 Ų | 104 | 42% | 0.422 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 177.9 | -72 | -31.9 | 0 | 0 | 0 | 111.8 | S59 E60 Y65 Q66 N67 | S59-N63 PolarHBondContact O-N 3.25Å; S59-N63 PolarHBondContact O-ND2 2.89Å; E60-N63 WeakPolarHBondContact O-CB 3.36Å; E60-N63 PolarHBondContact O-N 3.02Å; N63-Y65 VanDerWaalsContact C-N 3.34Å; N63-Y65 PolarHBondContact O-N 2.88Å; N63-Q66 PolarHBondContact O-N 3.44Å; N63-N67 PolarHBondContact O-N 2.91Å; N63-N67 PolarHBondContact O-ND2 2.94Å |
| 64 | E | 98 | Very high | 96.7 | Very high | 134 Ų | 134 | 103.9 Ų | 103.9 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.6 | -43.9 | 175.1 | -72.5 | -172 | 175.7 | 0 | 0 | 111.7 | E60 Q66 N67 L68 | E60-E64 WeakPolarHBondContact O-CG 3.29Å; E60-E64 PolarHBondContact O-N 2.95Å; E64-Q66 VanDerWaalsContact C-N 3.34Å; E64-Q66 PolarHBondContact O-N 2.86Å; E64-N67 PolarHBondContact O-N 3.34Å; E64-L68 WeakPolarHBondContact O-CB 3.46Å; E64-L68 PolarHBondContact O-N 2.77Å |
| 65 | Y | 98 | Very high | 97 | Very high | 141 Ų | 141 | 102.3 Ų | 102.3 | 55% | 0.553 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 175.3 | 179.3 | -104 | 0 | 0 | 0 | 112.3 | V61 T62 N63 L68 R69 | V61-Y65 WeakPolarHBondContact O-CB 3.49Å; V61-Y65 PolarHBondContact O-N 3.03Å; T62-Y65 PolarHBondContact O-N 3.28Å; N63-Y65 VanDerWaalsContact C-N 3.34Å; N63-Y65 PolarHBondContact O-N 2.88Å; Y65-L68 PolarHBondContact O-N 2.98Å; Y65-R69 HydrophobicContact CD1-CG 4.48Å; Y65-R69 HydrophobicContact CE1-CG 4.09Å; Y65-R69 HydrophobicContact CE2-CG 4.43Å; Y65-R69 WeakPolarHBondContact O-CG 3.4Å; Y65-R69 PolarHBondContact O-N 2.89Å |
| 66 | Q | 97.6 | Very high | 97.3 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | -72.8 | 179.8 | 16.2 | 0 | 0 | 112.3 | T62 N63 E64 R69 K70 | T62-Q66 WeakPolarHBondContact O-CG 3.46Å; T62-Q66 PolarHBondContact O-N 3.36Å; N63-Q66 PolarHBondContact O-N 3.44Å; E64-Q66 VanDerWaalsContact C-N 3.34Å; E64-Q66 PolarHBondContact O-N 2.86Å; Q66-R69 PolarHBondContact O-N 3.47Å; Q66-K70 PolarHBondContact O-N 3.2Å; Q66-K70 VanDerWaalsContact O-N 3.09Å |
| 67 | N | 98.2 | Very high | 97.6 | Very high | 96 Ų | 96 | 99.4 Ų | 99.4 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 174.7 | -72.3 | -27 | 0 | 0 | 0 | 111 | N63 E64 R69 K70 D71 | N63-N67 PolarHBondContact O-N 2.91Å; N63-N67 PolarHBondContact O-ND2 2.94Å; E64-N67 PolarHBondContact O-N 3.34Å; N67-R69 VanDerWaalsContact C-N 3.27Å; N67-R69 PolarHBondContact O-N 3.1Å; N67-K70 WeakPolarHBondContact O-CA 3.29Å; N67-K70 VanDerWaalsContact O-CB 3.26Å; N67-K70 WeakPolarHBondContact O-CB 3.27Å; N67-K70 PolarHBondContact O-N 2.88Å; N67-D71 PolarHBondContact O-N 2.86Å |
| 68 | L | 98.5 | Very high | 97.8 | Very high | 96 Ų | 96 | 101.8 Ų | 101.8 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.3 | -40.1 | 176 | -177.6 | 61.9 | 0 | 0 | 0 | 112 | E64 Y65 K70 D71 I72 | E64-L68 WeakPolarHBondContact O-CB 3.46Å; E64-L68 PolarHBondContact O-N 2.77Å; Y65-L68 PolarHBondContact O-N 2.98Å; L68-K70 VanDerWaalsContact C-N 3.29Å; L68-K70 PolarHBondContact O-N 3.45Å; L68-D71 PolarHBondContact O-N 2.83Å; L68-I72 HydrophobicContact CD1-CD1 4.36Å; L68-I72 HydrophobicContact CD1-CG1 4.49Å; L68-I72 HydrophobicContact CG-CD1 4.1Å; L68-I72 WeakPolarHBondContact O-CB 3.27Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.25Å; L68-I72 PolarHBondContact O-N 2.89Å |
| 69 | R | 98.4 | Very high | 97.9 | Very high | 138 Ų | 138 | 101.6 Ų | 101.6 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -29.2 | 173.6 | -76.8 | -176.9 | 68 | -166.9 | 5.9 | 113.4 | Y65 Q66 N67 R73 | Y65-R69 HydrophobicContact CD1-CG 4.48Å; Y65-R69 HydrophobicContact CE1-CG 4.09Å; Y65-R69 HydrophobicContact CE2-CG 4.43Å; Y65-R69 WeakPolarHBondContact O-CG 3.4Å; Y65-R69 PolarHBondContact O-N 2.89Å; Q66-R69 PolarHBondContact O-N 3.47Å; N67-R69 VanDerWaalsContact C-N 3.27Å; N67-R69 PolarHBondContact O-N 3.1Å; R69-R73 WeakPolarHBondContact O-CG 3.46Å; R69-R73 PolarHBondContact O-N 3.37Å; R69-R73 PolarHBondContact O-NE 2.94Å; R69-R73 VanDerWaalsContact O-NE 3.09Å |
| 70 | K | 98.3 | Very high | 98.1 | Very high | 123 Ų | 123 | 104.4 Ų | 104.4 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.6 | -46.8 | 173.7 | -175.6 | -174.6 | 171.2 | -169.2 | 0 | 110 | Q66 N67 L68 I72 R73 E74 | Q66-K70 PolarHBondContact O-N 3.2Å; Q66-K70 VanDerWaalsContact O-N 3.09Å; N67-K70 WeakPolarHBondContact O-CA 3.29Å; N67-K70 VanDerWaalsContact O-CB 3.26Å; N67-K70 WeakPolarHBondContact O-CB 3.27Å; N67-K70 PolarHBondContact O-N 2.88Å; L68-K70 VanDerWaalsContact C-N 3.29Å; L68-K70 PolarHBondContact O-N 3.45Å; K70-I72 PolarHBondContact O-N 2.91Å; K70-R73 WeakPolarHBondContact O-CB 3.32Å; K70-R73 PolarHBondContact O-N 3.39Å; K70-E74 PolarHBondContact O-N 3.39Å |
| 71 | D | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 103.1 Ų | 103.1 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | -179.5 | -62.8 | -8.8 | 0 | 0 | 0 | 111.5 | N67 L68 R73 E74 V75 | N67-D71 PolarHBondContact O-N 2.86Å; L68-D71 PolarHBondContact O-N 2.83Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.39Å; D71-E74 WeakPolarHBondContact O-CB 3.27Å; D71-E74 PolarHBondContact O-N 3.1Å; D71-E74 VanDerWaalsContact O-N 3.17Å; D71-V75 WeakPolarHBondContact O-CG2 3.21Å; D71-V75 PolarHBondContact O-N 2.98Å |
| 72 | I | 98.5 | Very high | 98.2 | Very high | 82 Ų | 82 | 102.8 Ų | 102.8 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 174.3 | -71.4 | 169.1 | 0 | 0 | 0 | 111.2 | L68 K70 E74 V75 Q76 | L68-I72 HydrophobicContact CD1-CD1 4.36Å; L68-I72 HydrophobicContact CD1-CG1 4.49Å; L68-I72 HydrophobicContact CG-CD1 4.1Å; L68-I72 WeakPolarHBondContact O-CB 3.27Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 3.25Å; L68-I72 PolarHBondContact O-N 2.89Å; K70-I72 PolarHBondContact O-N 2.91Å; I72-E74 VanDerWaalsContact C-N 3.34Å; I72-V75 PolarHBondContact O-N 2.93Å; I72-Q76 HydrophobicContact CG2-CG 4.45Å; I72-Q76 WeakPolarHBondContact O-CB 3.19Å; I72-Q76 VanDerWaalsContact O-CG 3.24Å; I72-Q76 WeakPolarHBondContact O-CG 3.41Å; I72-Q76 PolarHBondContact O-N 2.9Å |
| 73 | R | 98.5 | Very high | 98.4 | Very high | 152 Ų | 152 | 102.6 Ų | 102.6 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.6 | -38.2 | 178.1 | -77.7 | -178.2 | -73.7 | 165 | -3 | 111.8 | R69 K70 D71 Q76 Q77 | R69-R73 WeakPolarHBondContact O-CG 3.46Å; R69-R73 PolarHBondContact O-N 3.37Å; R69-R73 PolarHBondContact O-NE 2.94Å; R69-R73 VanDerWaalsContact O-NE 3.09Å; K70-R73 WeakPolarHBondContact O-CB 3.32Å; K70-R73 PolarHBondContact O-N 3.39Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.39Å; R73-Q76 PolarHBondContact O-N 3.42Å; R73-Q77 PolarHBondContact O-N 2.96Å |
| 74 | E | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 175.9 | -175 | 172.3 | 173.7 | 0 | 0 | 111.4 | K70 D71 I72 Q76 Q77 L78 | K70-E74 PolarHBondContact O-N 3.39Å; D71-E74 WeakPolarHBondContact O-CB 3.27Å; D71-E74 PolarHBondContact O-N 3.1Å; D71-E74 VanDerWaalsContact O-N 3.17Å; I72-E74 VanDerWaalsContact C-N 3.34Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.01Å; E74-Q77 WeakPolarHBondContact O-CA 3.38Å; E74-Q77 WeakPolarHBondContact O-CB 3.27Å; E74-Q77 PolarHBondContact O-N 2.83Å; E74-L78 HydrophobicContact CG-CD1 4.35Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 3.48Å |
| 75 | V | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | D71 I72 Q77 L78 Q79 | D71-V75 WeakPolarHBondContact O-CG2 3.21Å; D71-V75 PolarHBondContact O-N 2.98Å; I72-V75 PolarHBondContact O-N 2.93Å; V75-Q77 VanDerWaalsContact C-N 3.29Å; V75-Q77 PolarHBondContact O-N 2.93Å; V75-L78 PolarHBondContact O-N 3.1Å; V75-Q79 HydrophobicContact CG1-CG 4.46Å; V75-Q79 WeakPolarHBondContact O-CB 3.22Å; V75-Q79 VanDerWaalsContact O-CG 3.31Å; V75-Q79 WeakPolarHBondContact O-CG 3.43Å; V75-Q79 PolarHBondContact O-N 3.21Å |
| 76 | Q | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 96 Ų | 96 | 42% | 0.416 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 176 | -75 | 175.9 | -9.9 | 0 | 0 | 112.5 | I72 R73 E74 R80 | I72-Q76 HydrophobicContact CG2-CG 4.45Å; I72-Q76 WeakPolarHBondContact O-CB 3.19Å; I72-Q76 VanDerWaalsContact O-CG 3.24Å; I72-Q76 WeakPolarHBondContact O-CG 3.41Å; I72-Q76 PolarHBondContact O-N 2.9Å; R73-Q76 PolarHBondContact O-N 3.42Å; E74-Q76 VanDerWaalsContact C-N 3.31Å; E74-Q76 PolarHBondContact O-N 3.01Å; Q76-R80 WeakPolarHBondContact O-CG 3.04Å; Q76-R80 PolarHBondContact O-N 3.22Å; Q76-R80 VanDerWaalsContact O-N 3.16Å; Q76-R80 PolarHBondContact O-NH1 3.49Å |
| 77 | Q | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 175 | -176.7 | 55.3 | 42.5 | 0 | 0 | 111.1 | R73 E74 V75 Q79 R80 D81 | R73-Q77 PolarHBondContact O-N 2.96Å; E74-Q77 WeakPolarHBondContact O-CA 3.38Å; E74-Q77 WeakPolarHBondContact O-CB 3.27Å; E74-Q77 PolarHBondContact O-N 2.83Å; V75-Q77 VanDerWaalsContact C-N 3.29Å; V75-Q77 PolarHBondContact O-N 2.93Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.47Å; Q77-R80 WeakPolarHBondContact O-CB 3.39Å; Q77-R80 PolarHBondContact O-N 2.92Å; Q77-R80 VanDerWaalsContact OE1-NE 3.1Å; Q77-D81 PolarHBondContact NE2-OD1 2.99Å; Q77-D81 PolarHBondContact NE2-OD2 3.44Å; Q77-D81 PolarHBondContact O-N 3.34Å |
| 78 | L | 98.8 | Very high | 98.6 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 175.4 | -71.2 | 169.3 | 0 | 0 | 0 | 112 | E74 V75 R80 D81 V82 | E74-L78 HydrophobicContact CG-CD1 4.35Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 3.48Å; V75-L78 PolarHBondContact O-N 3.1Å; L78-R80 VanDerWaalsContact C-N 3.34Å; L78-R80 PolarHBondContact O-N 2.85Å; L78-D81 PolarHBondContact O-N 3.21Å; L78-V82 WeakPolarHBondContact O-CG2 3.33Å; L78-V82 PolarHBondContact O-N 3.48Å |
| 79 | Q | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 174.8 | -76.5 | 177.3 | -18.6 | 0 | 0 | 112.5 | V75 Q77 S83 | V75-Q79 HydrophobicContact CG1-CG 4.46Å; V75-Q79 WeakPolarHBondContact O-CB 3.22Å; V75-Q79 VanDerWaalsContact O-CG 3.31Å; V75-Q79 WeakPolarHBondContact O-CG 3.43Å; V75-Q79 PolarHBondContact O-N 3.21Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.47Å; Q79-S83 VanDerWaalsContact O-CB 3.22Å; Q79-S83 WeakPolarHBondContact O-CB 3.38Å; Q79-S83 PolarHBondContact O-N 3.41Å; Q79-S83 PolarHBondContact O-OG 3.07Å |
| 80 | R | 98.5 | Very high | 98.6 | Very high | 124 Ų | 124 | 99.5 Ų | 99.5 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175 | -74.6 | -174.9 | -70.3 | -89.4 | 5.1 | 111.4 | Q76 Q77 L78 S83 S84 | Q76-R80 WeakPolarHBondContact O-CG 3.04Å; Q76-R80 PolarHBondContact O-N 3.22Å; Q76-R80 VanDerWaalsContact O-N 3.16Å; Q76-R80 PolarHBondContact O-NH1 3.49Å; Q77-R80 WeakPolarHBondContact O-CB 3.39Å; Q77-R80 PolarHBondContact O-N 2.92Å; Q77-R80 VanDerWaalsContact OE1-NE 3.1Å; L78-R80 VanDerWaalsContact C-N 3.34Å; L78-R80 PolarHBondContact O-N 2.85Å; R80-S83 PolarHBondContact O-N 3.09Å; R80-S84 WeakPolarHBondContact O-CB 3.37Å; R80-S84 PolarHBondContact O-N 3.32Å |
| 81 | D | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 100.3 Ų | 100.3 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | -177.6 | -65.6 | -24.5 | 0 | 0 | 0 | 111.2 | Q77 L78 S83 S84 S85 | Q77-D81 PolarHBondContact NE2-OD1 2.99Å; Q77-D81 PolarHBondContact NE2-OD2 3.44Å; Q77-D81 PolarHBondContact O-N 3.34Å; L78-D81 PolarHBondContact O-N 3.21Å; D81-S83 PolarHBondContact O-N 2.71Å; D81-S84 WeakPolarHBondContact O-CB 3.37Å; D81-S84 PolarHBondContact O-N 2.84Å; D81-S85 WeakPolarHBondContact O-CB 3.44Å; D81-S85 PolarHBondContact O-N 3.47Å |
| 82 | V | 98.5 | Very high | 98.6 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L78 S84 S85 I86 | L78-V82 WeakPolarHBondContact O-CG2 3.33Å; L78-V82 PolarHBondContact O-N 3.48Å; V82-S84 VanDerWaalsContact C-N 3.29Å; V82-S84 PolarHBondContact O-N 3.17Å; V82-S85 WeakPolarHBondContact O-CB 3.4Å; V82-S85 PolarHBondContact O-N 2.83Å; V82-I86 HydrophobicContact CG1-CD1 3.78Å; V82-I86 HydrophobicContact CG1-CG1 4.37Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 2.92Å |
| 83 | S | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 101 Ų | 101 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -34.7 | 177.4 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | Q79 R80 D81 R87 | Q79-S83 VanDerWaalsContact O-CB 3.22Å; Q79-S83 WeakPolarHBondContact O-CB 3.38Å; Q79-S83 PolarHBondContact O-N 3.41Å; Q79-S83 PolarHBondContact O-OG 3.07Å; R80-S83 PolarHBondContact O-N 3.09Å; D81-S83 PolarHBondContact O-N 2.71Å; S83-R87 WeakPolarHBondContact O-CG 3.31Å; S83-R87 PolarHBondContact O-N 3.39Å; S83-R87 PolarHBondContact O-NE 3.16Å |
| 84 | S | 98.6 | Very high | 98.6 | Very high | 61 Ų | 61 | 99 Ų | 99 | 43% | 0.427 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 174.2 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | R80 D81 V82 R87 Y88 | R80-S84 WeakPolarHBondContact O-CB 3.37Å; R80-S84 PolarHBondContact O-N 3.32Å; D81-S84 WeakPolarHBondContact O-CB 3.37Å; D81-S84 PolarHBondContact O-N 2.84Å; V82-S84 VanDerWaalsContact C-N 3.29Å; V82-S84 PolarHBondContact O-N 3.17Å; S84-R87 PolarHBondContact O-N 3.05Å; S84-Y88 PolarHBondContact O-N 3.15Å |
| 85 | S | 98.7 | Very high | 98.5 | Very high | 56 Ų | 56 | 99.9 Ų | 99.9 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 177.9 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | D81 V82 R87 Y88 Q89 | D81-S85 WeakPolarHBondContact O-CB 3.44Å; D81-S85 PolarHBondContact O-N 3.47Å; V82-S85 WeakPolarHBondContact O-CB 3.4Å; V82-S85 PolarHBondContact O-N 2.83Å; S85-R87 VanDerWaalsContact C-N 3.35Å; S85-R87 PolarHBondContact O-N 3.01Å; S85-Y88 WeakPolarHBondContact O-CB 3.4Å; S85-Y88 PolarHBondContact O-N 3.3Å; S85-Y88 VanDerWaalsContact O-N 3.13Å; S85-Q89 WeakPolarHBondContact O-CG 3.31Å; S85-Q89 PolarHBondContact O-N 3.19Å |
| 86 | I | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.3 | -68.9 | 169.9 | 0 | 0 | 0 | 110.9 | V82 Y88 Q89 M90 | V82-I86 HydrophobicContact CG1-CD1 3.78Å; V82-I86 HydrophobicContact CG1-CG1 4.37Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 2.92Å; I86-Y88 VanDerWaalsContact C-N 3.31Å; I86-Y88 PolarHBondContact O-N 3.01Å; I86-Q89 PolarHBondContact O-N 2.84Å; I86-M90 WeakPolarHBondContact O-CB 3.47Å; I86-M90 PolarHBondContact O-N 3.05Å |
| 87 | R | 98.5 | Very high | 98.5 | Very high | 147 Ų | 147 | 102.8 Ų | 102.8 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -37 | 177.1 | -77.7 | -178.6 | -73.4 | 161.1 | -5.6 | 112.5 | S83 S84 S85 R91 | S83-R87 WeakPolarHBondContact O-CG 3.31Å; S83-R87 PolarHBondContact O-N 3.39Å; S83-R87 PolarHBondContact O-NE 3.16Å; S84-R87 PolarHBondContact O-N 3.05Å; S85-R87 VanDerWaalsContact C-N 3.35Å; S85-R87 PolarHBondContact O-N 3.01Å; R87-R91 WeakPolarHBondContact O-CG 3.43Å; R87-R91 PolarHBondContact O-N 3.18Å; R87-R91 PolarHBondContact O-NE 3.5Å |
| 88 | Y | 98.7 | Very high | 98.5 | Very high | 150 Ų | 150 | 103.9 Ų | 103.9 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.8 | -50 | 174.8 | 176.3 | -96 | 0 | 0 | 0 | 111.5 | S84 S85 I86 M90 R91 S92 | S84-Y88 PolarHBondContact O-N 3.15Å; S85-Y88 WeakPolarHBondContact O-CB 3.4Å; S85-Y88 PolarHBondContact O-N 3.3Å; S85-Y88 VanDerWaalsContact O-N 3.13Å; I86-Y88 VanDerWaalsContact C-N 3.31Å; I86-Y88 PolarHBondContact O-N 3.01Å; Y88-M90 VanDerWaalsContact C-N 3.32Å; Y88-M90 PolarHBondContact O-N 3.42Å; Y88-R91 PolarHBondContact O-N 3.46Å; Y88-S92 PolarHBondContact O-N 2.81Å |
| 89 | Q | 98.6 | Very high | 98.4 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59 | -42.6 | 178.7 | -71.2 | 179.1 | -4.2 | 0 | 0 | 111.8 | S85 I86 R91 S92 M93 | S85-Q89 WeakPolarHBondContact O-CG 3.31Å; S85-Q89 PolarHBondContact O-N 3.19Å; I86-Q89 PolarHBondContact O-N 2.84Å; Q89-R91 PolarHBondContact O-N 3.4Å; Q89-S92 PolarHBondContact O-N 3.48Å; Q89-M93 WeakPolarHBondContact O-CB 3.4Å; Q89-M93 PolarHBondContact O-N 2.95Å |
| 90 | M | 98.4 | Very high | 98.4 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.6 | -172.4 | 179.7 | 69.5 | 0 | 0 | 112.2 | I86 Y88 M93 Q94 | I86-M90 WeakPolarHBondContact O-CB 3.47Å; I86-M90 PolarHBondContact O-N 3.05Å; Y88-M90 VanDerWaalsContact C-N 3.32Å; Y88-M90 PolarHBondContact O-N 3.42Å; M90-M93 PolarHBondContact O-N 3.43Å; M90-Q94 WeakPolarHBondContact O-CG 3.42Å; M90-Q94 PolarHBondContact O-N 3.43Å |
| 91 | R | 98.5 | Very high | 98.3 | Very high | 141 Ų | 141 | 101.9 Ų | 101.9 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.6 | -76.4 | -176.1 | -71.4 | 171.8 | -1.3 | 111.7 | R87 Y88 Q89 M93 Q94 Q95 | R87-R91 WeakPolarHBondContact O-CG 3.43Å; R87-R91 PolarHBondContact O-N 3.18Å; R87-R91 PolarHBondContact O-NE 3.5Å; Y88-R91 PolarHBondContact O-N 3.46Å; Q89-R91 PolarHBondContact O-N 3.4Å; R91-M93 VanDerWaalsContact C-N 3.33Å; R91-M93 PolarHBondContact O-N 3.13Å; R91-Q94 PolarHBondContact O-N 3.39Å; R91-Q95 WeakPolarHBondContact O-CG 3.43Å; R91-Q95 PolarHBondContact O-N 3.26Å |
| 92 | S | 98.4 | Very high | 98.2 | Very high | 48 Ų | 48 | 103.5 Ų | 103.5 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | Y88 Q89 Q95 T96 | Y88-S92 PolarHBondContact O-N 2.81Å; Q89-S92 PolarHBondContact O-N 3.48Å; S92-Q95 PolarHBondContact O-N 2.98Å; S92-T96 WeakPolarHBondContact O-CB 3.48Å; S92-T96 PolarHBondContact O-N 3.04Å; S92-T96 PolarHBondContact O-OG1 2.9Å |
| 93 | M | 98.4 | Very high | 98.1 | Very high | 130 Ų | 130 | 107.7 Ų | 107.7 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 176.6 | -172.6 | -178.1 | 73.3 | 0 | 0 | 111.6 | Q89 M90 R91 Q95 T96 F97 | Q89-M93 WeakPolarHBondContact O-CB 3.4Å; Q89-M93 PolarHBondContact O-N 2.95Å; M90-M93 PolarHBondContact O-N 3.43Å; R91-M93 VanDerWaalsContact C-N 3.33Å; R91-M93 PolarHBondContact O-N 3.13Å; M93-Q95 PolarHBondContact O-N 3.48Å; M93-T96 PolarHBondContact O-N 3.06Å; M93-F97 WeakPolarHBondContact O-CB 3.43Å; M93-F97 PolarHBondContact O-N 3.46Å |
| 94 | Q | 98.4 | Very high | 97.9 | Very high | 110 Ų | 110 | 109 Ų | 109 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 176.6 | -73.8 | 173.4 | -18.1 | 0 | 0 | 112.2 | M90 R91 F97 H98 | M90-Q94 WeakPolarHBondContact O-CG 3.42Å; M90-Q94 PolarHBondContact O-N 3.43Å; R91-Q94 PolarHBondContact O-N 3.39Å; Q94-F97 PolarHBondContact O-N 2.89Å; Q94-H98 WeakPolarHBondContact O-CB 3.46Å; Q94-H98 PolarHBondContact O-N 2.86Å |
| 95 | Q | 98.3 | Very high | 97.7 | Very high | 134 Ų | 134 | 108.2 Ų | 108.2 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 176.1 | -73.2 | 174.8 | -17.5 | 0 | 0 | 111.9 | R91 S92 M93 H98 T99 | R91-Q95 WeakPolarHBondContact O-CG 3.43Å; R91-Q95 PolarHBondContact O-N 3.26Å; S92-Q95 PolarHBondContact O-N 2.98Å; M93-Q95 PolarHBondContact O-N 3.48Å; Q95-H98 PolarHBondContact O-N 3.42Å; Q95-T99 WeakPolarHBondContact O-CB 3.34Å; Q95-T99 PolarHBondContact O-N 3.37Å; Q95-T99 PolarHBondContact O-OG1 3.27Å |
| 96 | T | 98.3 | Very high | 97.4 | Very high | 89 Ų | 89 | 109 Ų | 109 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | S92 M93 H98 T99 L100 | S92-T96 WeakPolarHBondContact O-CB 3.48Å; S92-T96 PolarHBondContact O-N 3.04Å; S92-T96 PolarHBondContact O-OG1 2.9Å; M93-T96 PolarHBondContact O-N 3.06Å; T96-H98 PolarHBondContact O-N 3.09Å; T96-T99 PolarHBondContact O-N 3.3Å; T96-L100 WeakPolarHBondContact O-CB 3.45Å; T96-L100 PolarHBondContact O-N 3.46Å |
| 97 | F | 98.4 | Very high | 97 | Very high | 137 Ų | 137 | 107.9 Ų | 107.9 | 60% | 0.601 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.5 | -45.6 | 175.6 | 176.9 | -99.6 | 0 | 0 | 0 | 112 | M93 Q94 T99 L100 K101 | M93-F97 WeakPolarHBondContact O-CB 3.43Å; M93-F97 PolarHBondContact O-N 3.46Å; Q94-F97 PolarHBondContact O-N 2.89Å; F97-T99 VanDerWaalsContact C-N 3.34Å; F97-T99 PolarHBondContact O-N 3.43Å; F97-L100 PolarHBondContact O-N 2.86Å; F97-K101 HydrophobicContact CE1-CD 4.41Å; F97-K101 WeakPolarHBondContact O-CB 3.06Å; F97-K101 PolarHBondContact O-N 2.95Å |
| 98 | H | 98 | Very high | 96.4 | Very high | 104 Ų | 104 | 107 Ų | 107 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.1 | -164 | 88.3 | 0 | 0 | 0 | 111.6 | Q94 Q95 T96 K101 Q102 | Q94-H98 WeakPolarHBondContact O-CB 3.46Å; Q94-H98 PolarHBondContact O-N 2.86Å; Q95-H98 PolarHBondContact O-N 3.42Å; T96-H98 PolarHBondContact O-N 3.09Å; H98-K101 PolarHBondContact O-N 2.97Å; H98-Q102 PolarHBondContact CD2-NE2 3.38Å; H98-Q102 PolarHBondContact NE2-NE2 3.42Å; H98-Q102 WeakPolarHBondContact O-CG 3.31Å; H98-Q102 PolarHBondContact O-N 3.22Å |
| 99 | T | 97.7 | Very high | 95.5 | Very high | 62 Ų | 62 | 108 Ų | 108 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | Q95 T96 F97 Q102 R103 | Q95-T99 WeakPolarHBondContact O-CB 3.34Å; Q95-T99 PolarHBondContact O-N 3.37Å; Q95-T99 PolarHBondContact O-OG1 3.27Å; T96-T99 PolarHBondContact O-N 3.3Å; F97-T99 VanDerWaalsContact C-N 3.34Å; F97-T99 PolarHBondContact O-N 3.43Å; T99-Q102 PolarHBondContact O-N 3.05Å; T99-R103 WeakPolarHBondContact O-CG 3.35Å; T99-R103 PolarHBondContact O-N 3.44Å |
| 100 | L | 97.8 | Very high | 94.2 | Very high | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.5 | -175.2 | 63.1 | 0 | 0 | 0 | 111.5 | T96 F97 Q102 R103 I104 | T96-L100 WeakPolarHBondContact O-CB 3.45Å; T96-L100 PolarHBondContact O-N 3.46Å; F97-L100 PolarHBondContact O-N 2.86Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 2.88Å; L100-R103 PolarHBondContact O-N 2.96Å; L100-I104 HydrophobicContact CD1-CD1 4.47Å; L100-I104 HydrophobicContact CG-CD1 4.12Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 3.39Å |
| 101 | K | 97.2 | Very high | 92.5 | Very high | 134 Ų | 134 | 111.2 Ų | 111.2 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.5 | -44.1 | 176.5 | -174.2 | 179.5 | 179.7 | 179.3 | 0 | 111.8 | F97 H98 I104 A105 | F97-K101 HydrophobicContact CE1-CD 4.41Å; F97-K101 WeakPolarHBondContact O-CB 3.06Å; F97-K101 PolarHBondContact O-N 2.95Å; H98-K101 PolarHBondContact O-N 2.97Å; K101-I104 PolarHBondContact O-N 3.47Å; K101-A105 WeakPolarHBondContact O-CB 3.35Å; K101-A105 PolarHBondContact O-N 3.23Å |
| 102 | Q | 96 | Very high | 90.7 | Very high | 116 Ų | 116 | 113.3 Ų | 113.3 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -43.2 | 176.3 | -73.5 | -179.2 | -9.9 | 0 | 0 | 112.2 | H98 T99 L100 I104 A105 S106 | H98-Q102 PolarHBondContact CD2-NE2 3.38Å; H98-Q102 PolarHBondContact NE2-NE2 3.42Å; H98-Q102 WeakPolarHBondContact O-CG 3.31Å; H98-Q102 PolarHBondContact O-N 3.22Å; T99-Q102 PolarHBondContact O-N 3.05Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 2.88Å; Q102-I104 PolarHBondContact O-N 3.41Å; Q102-A105 PolarHBondContact O-N 3.37Å; Q102-S106 PolarHBondContact O-N 2.9Å; Q102-S106 PolarHBondContact O-OG 3.45Å |
| 103 | R | 95.9 | Very high | 88.6 | Confident | 174 Ų | 174 | 120 Ų | 120 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.7 | -40 | 177 | -73.1 | -179.3 | -179.9 | -170.7 | 0.7 | 112.8 | T99 L100 S106 S107 | T99-R103 WeakPolarHBondContact O-CG 3.35Å; T99-R103 PolarHBondContact O-N 3.44Å; L100-R103 PolarHBondContact O-N 2.96Å; R103-S106 PolarHBondContact O-OG 3.21Å; R103-S107 WeakPolarHBondContact O-CB 3.36Å; R103-S107 PolarHBondContact O-N 3.01Å |
| 104 | I | 95 | Very high | 86.3 | Confident | 85 Ų | 85 | 118.8 Ų | 118.8 | 44% | 0.436 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.3 | -47 | 176 | -67.2 | 167.7 | 0 | 0 | 0 | 110.1 | L100 K101 Q102 S106 S107 Q108 | L100-I104 HydrophobicContact CD1-CD1 4.47Å; L100-I104 HydrophobicContact CG-CD1 4.12Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 3.39Å; K101-I104 PolarHBondContact O-N 3.47Å; Q102-I104 PolarHBondContact O-N 3.41Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.25Å; I104-S107 PolarHBondContact O-N 3.05Å; I104-Q108 WeakPolarHBondContact O-CG 3.35Å; I104-Q108 PolarHBondContact O-N 3.28Å |
| 105 | A | 94 | Very high | 84.1 | Confident | 46 Ų | 46 | 123.1 Ų | 123.1 | 38% | 0.38 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.4 | -38.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K101 Q102 K109 | K101-A105 WeakPolarHBondContact O-CB 3.35Å; K101-A105 PolarHBondContact O-N 3.23Å; Q102-A105 PolarHBondContact O-N 3.37Å; A105-K109 WeakPolarHBondContact O-CG 3.24Å; A105-K109 PolarHBondContact O-N 2.92Å; A105-K109 VanDerWaalsContact O-N 3.14Å |
| 106 | S | 92.4 | Very high | 81.8 | Confident | 73 Ų | 73 | 126 Ų | 126 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70 | -39.6 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | Q102 R103 I104 Q108 K109 G110 | Q102-S106 PolarHBondContact O-N 2.9Å; Q102-S106 PolarHBondContact O-OG 3.45Å; R103-S106 PolarHBondContact O-OG 3.21Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 3.25Å; S106-Q108 PolarHBondContact O-N 3.34Å; S106-K109 PolarHBondContact O-N 2.98Å; S106-G110 PolarHBondContact O-N 3.23Å |
| 107 | S | 90.3 | Very high | 79.3 | Confident | 72 Ų | 72 | 124.8 Ų | 124.8 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.2 | -40.7 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | R103 I104 G110 R111 | R103-S107 WeakPolarHBondContact O-CB 3.36Å; R103-S107 PolarHBondContact O-N 3.01Å; I104-S107 PolarHBondContact O-N 3.05Å; S107-G110 PolarHBondContact O-N 3.44Å; S107-R111 PolarHBondContact O-N 3.47Å |
| 108 | Q | 86.7 | Confident | 77.1 | Confident | 128 Ų | 128 | 126.6 Ų | 126.6 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66 | -37.3 | 175.2 | -72.9 | -178 | -1.3 | 0 | 0 | 112.8 | I104 S106 G110 R111 | I104-Q108 WeakPolarHBondContact O-CG 3.35Å; I104-Q108 PolarHBondContact O-N 3.28Å; S106-Q108 PolarHBondContact O-N 3.34Å; Q108-G110 VanDerWaalsContact C-N 3.34Å; Q108-R111 PolarHBondContact O-N 3.23Å |
| 109 | K | 78.5 | Confident | 75.1 | Confident | 172 Ų | 172 | 129.8 Ų | 129.8 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.2 | -37 | 173.6 | -74.6 | -179.8 | -179.9 | -175.4 | 0 | 112.1 | A105 S106 R111 K112 | A105-K109 WeakPolarHBondContact O-CG 3.24Å; A105-K109 PolarHBondContact O-N 2.92Å; A105-K109 VanDerWaalsContact O-N 3.14Å; S106-K109 PolarHBondContact O-N 2.98Å; K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 2.96Å; K109-K112 PolarHBondContact O-N 3.04Å |
| 110 | G | 72.1 | Confident | 72.9 | Confident | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -64.2 | -27.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S106 S107 Q108 | S106-G110 PolarHBondContact O-N 3.23Å; S107-G110 PolarHBondContact O-N 3.44Å; Q108-G110 VanDerWaalsContact C-N 3.34Å |
| 111 | R | 61.8 | Low | 70.7 | Confident | 222 Ų | 222 | 130.8 Ų | 130.8 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -13 | 178.1 | -81.1 | -176 | 171.1 | 173.1 | -2.2 | 115 | S107 Q108 K109 | S107-R111 PolarHBondContact O-N 3.47Å; Q108-R111 PolarHBondContact O-N 3.23Å; K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 2.96Å |
| 112 | K | 60.4 | Low | 68.7 | Low | 185 Ų | 185 | 127.8 Ų | 127.8 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 21.1 | -177 | -69.5 | -163.6 | 176.4 | -170.9 | 0 | 114.8 | K109 | K109-K112 PolarHBondContact O-N 3.04Š|
| 113 | K | 54.7 | Low | 67 | Low | 188 Ų | 188 | 128.8 Ų | 128.8 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | trans | -67.1 | 134.2 | 169.4 | -96.3 | -174.3 | 176.3 | -177.5 | 0 | 109.6 | ||||
| 114 | P | 50.4 | Low | 64.9 | Low | 104 Ų | 104 | 123.2 Ų | 123.2 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | trans | -76.2 | 136.9 | -162.4 | 30.9 | -34.2 | 0 | 0 | 0 | 111.4 | K116 | P114-K116 VanDerWaalsContact C-N 3.29Å; P114-K116 PolarHBondContact O-N 3.19Å | ||
| 115 | E | 51.3 | Low | 63.2 | Low | 201 Ų | 201 | 127.4 Ų | 127.4 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | trans | -55.2 | 96.9 | 153.6 | -79.7 | 175.8 | 128 | 0 | 0 | 108.3 | ||||
| 116 | K | 50.6 | Low | 61 | Low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -111.5 | 75.8 | 150 | -83.5 | -166.9 | 174.2 | -173.7 | 0 | 106.7 | P114 | P114-K116 VanDerWaalsContact C-N 3.29Å; P114-K116 PolarHBondContact O-N 3.19Å | ||
| 117 | G | 47.1 | Very low | 58.5 | Low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -89.1 | 113.5 | 152 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 118 | L | 51.7 | Low | 56.9 | Low | 175 Ų | 175 | 146.5 Ų | 146.5 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | 52.9 | 71.2 | 83 | -70.8 | 165 | 0 | 0 | 0 | 111.1 | |||||
| 119 | D | 54.9 | Low | 55.3 | Low | 170 Ų | 170 | 147.5 Ų | 147.5 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -141.6 | 127 | 159.3 | -102.2 | -24.4 | 0 | 0 | 0 | 110.1 | ||||
| 120 | G | 52.5 | Low | 54 | Low | 74 Ų | 74 | 146.1 Ų | 146.1 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | 94.4 | 64.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | G122 | G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 3.05Å | ||
| 121 | A | 51.7 | Low | 53 | Low | 110 Ų | 110 | 151.2 Ų | 151.2 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -65.7 | 88 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 122 | G | 55.3 | Low | 52.4 | Low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | -95.7 | 97 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G120 G124 | G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 3.05Å; G122-G124 PolarHBondContact O-N 3.18Å | ||
| 123 | V | 59.6 | Low | 51.9 | Low | 138 Ų | 138 | 144.3 Ų | 144.3 | 84% | 0.836 | 84% | 0.836 | S | S | * | * | trans | -6.7 | 113.8 | 146.6 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 124 | G | 52 | Low | 51.7 | Low | 57 Ų | 57 | 141.1 Ų | 141.1 | 59% | 0.588 | 84% | 0.837 | S | S | * | * | 79.7 | 101 | 70.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G122 | G122-G124 PolarHBondContact O-N 3.18Š| |||
| 125 | I | 59.4 | Low | 51.8 | Low | 173 Ų | 173 | 144 Ų | 144 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | trans | 170.2 | 128.6 | 131 | -82.3 | 156.1 | 0 | 0 | 0 | 108.8 | ||||
| 126 | H | 48 | Very low | 51.8 | Low | 181 Ų | 181 | 139.3 Ų | 139.3 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | trans | -77.2 | 154.6 | 175.7 | -120.5 | -104.3 | 0 | 0 | 0 | 110.5 | ||||
| 127 | E | 39.2 | Very low | 51.9 | Low | 264 Ų | 264 | 134.2 Ų | 134.2 | 100% | 1.234 | 84% | 0.842 | S | S | * | * | trans | 81.4 | 0 | 164.7 | -128.9 | 174.9 | 156.7 | 0 | 0 | 118.5 |
Retrieved 127 of 127 residues in 60 ms
(Link to these results)