| 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 | 48.9 | Very low | 62.1 | Low | 237 Ų | 237 | 132.7 Ų | 132.7 | 100% | 1.167 | 71% | 0.712 | S | S | * | * | 0 | 128.1 | 0 | -76.6 | 175.6 | 162.2 | 0 | 0 | 106 | |||||
| 2 | S | 51.2 | Low | 64.5 | Low | 78 Ų | 78 | 131.8 Ų | 131.8 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | trans | -89.4 | 103.8 | -160.2 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | N4 D5 | S2-N4 PolarHBondContact O-N 3.45Å; S2-D5 WeakPolarHBondContact CB-OD2 3.43Å; S2-D5 PolarHBondContact OG-OD2 3.17Å | ||
| 3 | D | 64.7 | Low | 66.6 | Low | 171 Ų | 171 | 125.8 Ų | 125.8 | 91% | 0.914 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 26.5 | 173.1 | -67.8 | -31.1 | 0 | 0 | 0 | 111.6 | ||
| 4 | N | 63.4 | Low | 68.5 | Low | 119 Ų | 119 | 122.2 Ų | 122.2 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 9.4 | -170 | -150.9 | 63.7 | 0 | 0 | 0 | 114.5 | S2 | S2-N4 PolarHBondContact O-N 3.45Š|
| 5 | D | 58.6 | Low | 70.1 | Confident | 125 Ų | 125 | 121.4 Ų | 121.4 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | trans | -101.5 | 5.6 | -173.7 | -66.1 | -50.5 | 0 | 0 | 0 | 114.8 | S2 | S2-D5 WeakPolarHBondContact CB-OD2 3.43Å; S2-D5 PolarHBondContact OG-OD2 3.17Å | ||
| 6 | D | 58.9 | Low | 71.6 | Confident | 160 Ų | 160 | 123.6 Ų | 123.6 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -99.1 | 12.5 | -176.3 | -149.8 | 29.5 | 0 | 0 | 0 | 114.5 | ||
| 7 | I | 61.1 | Low | 73 | Confident | 112 Ų | 112 | 119.6 Ų | 119.6 | 57% | 0.574 | 64% | 0.639 | S | S | * | * | trans | -90.4 | -13.1 | -174.2 | -61.8 | 170.2 | 0 | 0 | 0 | 112.4 | V9 | I7-V9 PolarHBondContact O-N 3.49Š| ||
| 8 | E | 59.1 | Low | 74.2 | Confident | 182 Ų | 182 | 118.7 Ų | 118.7 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -6.3 | -165 | -69.8 | -128.8 | 152.7 | 0 | 0 | 116.4 | ||
| 9 | V | 59.8 | Low | 75.4 | Confident | 144 Ų | 144 | 118.9 Ų | 118.9 | 87% | 0.873 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 25.1 | -179.8 | -139.6 | 0 | 0 | 0 | 0 | 113.9 | I7 | I7-V9 PolarHBondContact O-N 3.49Š|
| 10 | E | 72.4 | Confident | 76.5 | Confident | 78 Ų | 78 | 117.1 Ų | 117.1 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | trans | -74.9 | 125.3 | 176.3 | -167.3 | 163 | -138 | 0 | 0 | 110.5 | D14 K15 | E10-D14 HydrophobicContact CB-CB 4.41Å; E10-D14 HydrophobicContact CG-CB 3.09Å; E10-K15 HydrophobicContact CB-CG 4.36Å; E10-K15 HydrophobicContact CG-CG 4.26Å; E10-K15 VanDerWaalsContact O-CE 3.31Å; E10-K15 WeakPolarHBondContact O-CE 3.41Å | ||
| 11 | S | 85.3 | Confident | 77.5 | Confident | 54 Ų | 54 | 113.6 Ų | 113.6 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | trans | -63.4 | 158.7 | -177.7 | 76.2 | 0 | 0 | 0 | 0 | 111.2 | A13 D14 K15 | S11-A13 PolarHBondContact O-N 3.31Å; S11-A13 VanDerWaalsContact O-N 3.09Å; S11-A13 PolarHBondContact OG-N 3.04Å; S11-D14 VanDerWaalsContact CB-OD2 3.31Å; S11-D14 WeakPolarHBondContact CB-OD2 3.3Å; S11-D14 PolarHBondContact N-OD2 2.77Å; S11-D14 WeakPolarHBondContact O-CB 3.07Å; S11-D14 PolarHBondContact O-N 2.97Å; S11-D14 PolarHBondContact OG-N 3.38Å; S11-D14 PolarHBondContact OG-OD2 3.39Å; S11-K15 PolarHBondContact O-N 2.85Å | ||
| 12 | D | 90.2 | Very high | 79.8 | Confident | 121 Ų | 121 | 106.6 Ų | 106.6 | 65% | 0.647 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.1 | -27.8 | 175.3 | -75.9 | -15.5 | 0 | 0 | 0 | 112.7 | R16 | D12-R16 WeakPolarHBondContact O-CB 3.4Å; D12-R16 PolarHBondContact O-N 2.73Å |
| 13 | A | 92.4 | Very high | 82.1 | Confident | 55 Ų | 55 | 105.3 Ų | 105.3 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.1 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S11 R16 A17 | S11-A13 PolarHBondContact O-N 3.31Å; S11-A13 VanDerWaalsContact O-N 3.09Å; S11-A13 PolarHBondContact OG-N 3.04Å; A13-R16 PolarHBondContact O-N 3.17Å; A13-A17 WeakPolarHBondContact O-CB 3.44Å; A13-A17 PolarHBondContact O-N 2.87Å |
| 14 | D | 93 | Very high | 83.7 | Confident | 75 Ų | 75 | 103.7 Ų | 103.7 | 40% | 0.401 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70 | -43.5 | 179.8 | -60.6 | -38.9 | 0 | 0 | 0 | 111.2 | E10 S11 R16 A17 H18 | E10-D14 HydrophobicContact CB-CB 4.41Å; E10-D14 HydrophobicContact CG-CB 3.09Å; S11-D14 VanDerWaalsContact CB-OD2 3.31Å; S11-D14 WeakPolarHBondContact CB-OD2 3.3Å; S11-D14 PolarHBondContact N-OD2 2.77Å; S11-D14 WeakPolarHBondContact O-CB 3.07Å; S11-D14 PolarHBondContact O-N 2.97Å; S11-D14 PolarHBondContact OG-N 3.38Å; S11-D14 PolarHBondContact OG-OD2 3.39Å; D14-R16 VanDerWaalsContact C-N 3.27Å; D14-R16 PolarHBondContact O-N 2.81Å; D14-A17 CarbonylContact O-C 3.59Å; D14-A17 WeakPolarHBondContact O-CA 3.4Å; D14-A17 WeakPolarHBondContact O-CB 3.48Å; D14-A17 PolarHBondContact O-N 2.89Å; D14-H18 WeakPolarHBondContact O-CB 3.43Å; D14-H18 PolarHBondContact O-N 3.28Å |
| 15 | K | 92.5 | Very high | 85.3 | Confident | 110 Ų | 110 | 105.4 Ų | 105.4 | 48% | 0.478 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56 | -41.9 | 171.7 | -70.6 | 175.9 | -177.3 | 165.3 | 0 | 112 | E10 S11 H19 | E10-K15 HydrophobicContact CB-CG 4.36Å; E10-K15 HydrophobicContact CG-CG 4.26Å; E10-K15 VanDerWaalsContact O-CE 3.31Å; E10-K15 WeakPolarHBondContact O-CE 3.41Å; S11-K15 PolarHBondContact O-N 2.85Å; K15-H19 WeakPolarHBondContact O-CB 3.37Å; K15-H19 PolarHBondContact O-N 2.85Å |
| 16 | R | 93.9 | Very high | 87.3 | Confident | 156 Ų | 156 | 106.2 Ų | 106.2 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 176.1 | -169 | -176.5 | -60.5 | 115.4 | 3.2 | 111.6 | D12 A13 D14 N20 | D12-R16 WeakPolarHBondContact O-CB 3.4Å; D12-R16 PolarHBondContact O-N 2.73Å; A13-R16 PolarHBondContact O-N 3.17Å; D14-R16 VanDerWaalsContact C-N 3.27Å; D14-R16 PolarHBondContact O-N 2.81Å; R16-N20 WeakPolarHBondContact O-CB 3.44Å; R16-N20 PolarHBondContact O-N 2.95Å; R16-N20 PolarHBondContact O-ND2 3.08Å |
| 17 | A | 95.1 | Very high | 89.1 | Confident | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A13 D14 N20 A21 | A13-A17 WeakPolarHBondContact O-CB 3.44Å; A13-A17 PolarHBondContact O-N 2.87Å; D14-A17 CarbonylContact O-C 3.59Å; D14-A17 WeakPolarHBondContact O-CA 3.4Å; D14-A17 WeakPolarHBondContact O-CB 3.48Å; D14-A17 PolarHBondContact O-N 2.89Å; A17-N20 PolarHBondContact O-N 2.78Å; A17-A21 WeakPolarHBondContact O-CB 3.33Å; A17-A21 PolarHBondContact O-N 3.34Å |
| 18 | H | 95 | Very high | 90.9 | Very high | 102 Ų | 102 | 102.8 Ų | 102.8 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -47 | 176.1 | -179.4 | -112.7 | 0 | 0 | 0 | 111.6 | D14 N20 A21 L22 | D14-H18 WeakPolarHBondContact O-CB 3.43Å; D14-H18 PolarHBondContact O-N 3.28Å; H18-N20 PolarHBondContact O-N 3.26Å; H18-A21 WeakPolarHBondContact O-CB 3.36Å; H18-A21 PolarHBondContact O-N 3.36Å; H18-A21 VanDerWaalsContact O-N 3.16Å; H18-L22 VanDerWaalsContact CE1-CD1 3.45Å; H18-L22 WeakPolarHBondContact CE1-CD1 3.37Å; H18-L22 PolarHBondContact O-N 3.17Å |
| 19 | H | 96.5 | Very high | 92.8 | Very high | 123 Ų | 123 | 100.1 Ų | 100.1 | 57% | 0.569 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58 | -45.8 | 174.8 | -178.3 | 76 | 0 | 0 | 0 | 112.5 | K15 A21 L22 E23 | K15-H19 WeakPolarHBondContact O-CB 3.37Å; K15-H19 PolarHBondContact O-N 2.85Å; H19-A21 VanDerWaalsContact C-N 3.31Å; H19-A21 PolarHBondContact O-N 3.46Å; H19-L22 PolarHBondContact O-N 3.29Å; H19-E23 PolarHBondContact O-N 2.98Å |
| 20 | N | 97.7 | Very high | 94.7 | Very high | 82 Ų | 82 | 96 Ų | 96 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 176.8 | -74.9 | -22.1 | 0 | 0 | 0 | 112.8 | R16 A17 H18 R24 | R16-N20 WeakPolarHBondContact O-CB 3.44Å; R16-N20 PolarHBondContact O-N 2.95Å; R16-N20 PolarHBondContact O-ND2 3.08Å; A17-N20 PolarHBondContact O-N 2.78Å; H18-N20 PolarHBondContact O-N 3.26Å; N20-R24 WeakPolarHBondContact O-CB 3.25Å; N20-R24 PolarHBondContact O-N 3.07Å |
| 21 | A | 97.7 | Very high | 95.9 | Very high | 44 Ų | 44 | 96.9 Ų | 96.9 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A17 H18 H19 R24 K25 | A17-A21 WeakPolarHBondContact O-CB 3.33Å; A17-A21 PolarHBondContact O-N 3.34Å; H18-A21 WeakPolarHBondContact O-CB 3.36Å; H18-A21 PolarHBondContact O-N 3.36Å; H18-A21 VanDerWaalsContact O-N 3.16Å; H19-A21 VanDerWaalsContact C-N 3.31Å; H19-A21 PolarHBondContact O-N 3.46Å; A21-R24 WeakPolarHBondContact O-CB 3.49Å; A21-R24 PolarHBondContact O-N 3.39Å; A21-K25 PolarHBondContact O-N 3.02Å |
| 22 | L | 97.8 | Very high | 96.5 | Very high | 90 Ų | 90 | 98.6 Ų | 98.6 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 175.7 | -73.6 | 176.7 | 0 | 0 | 0 | 112.1 | H18 H19 R24 K25 R26 | H18-L22 VanDerWaalsContact CE1-CD1 3.45Å; H18-L22 WeakPolarHBondContact CE1-CD1 3.37Å; H18-L22 PolarHBondContact O-N 3.17Å; H19-L22 PolarHBondContact O-N 3.29Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.18Å; L22-K25 WeakPolarHBondContact O-CB 3.41Å; L22-K25 PolarHBondContact O-N 3.36Å; L22-R26 PolarHBondContact O-N 3.3Å |
| 23 | E | 98.4 | Very high | 96.9 | Very high | 52 Ų | 52 | 95.5 Ų | 95.5 | 24% | 0.243 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.1 | -34.4 | 178.4 | -177.5 | 57.3 | -154.3 | 0 | 0 | 111.7 | H19 R26 R27 | H19-E23 PolarHBondContact O-N 2.98Å; E23-R26 PolarHBondContact O-N 3.11Å; E23-R26 IonicContact OE1-CZ 3.91Å; E23-R26 IonicContact OE1-NH1 2.78Å; E23-R26 PolarHBondContact OE1-NH1 3.48Å; E23-R26 VanDerWaalsContact OE2-CD 3.3Å; E23-R26 WeakPolarHBondContact OE2-CD 3.36Å; E23-R26 IonicContact OE2-NH1 3.61Å; E23-R27 VanDerWaalsContact CG-NH1 3.34Å; E23-R27 WeakPolarHBondContact O-CG 3.35Å; E23-R27 PolarHBondContact O-N 3.4Å |
| 24 | R | 98.5 | Very high | 97.1 | Very high | 136 Ų | 136 | 94.9 Ų | 94.9 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 171.7 | -170.8 | -177 | -63.8 | 106.4 | -2 | 110.9 | N20 A21 L22 R26 R27 D28 | N20-R24 WeakPolarHBondContact O-CB 3.25Å; N20-R24 PolarHBondContact O-N 3.07Å; A21-R24 WeakPolarHBondContact O-CB 3.49Å; A21-R24 PolarHBondContact O-N 3.39Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 3.18Å; R24-R26 VanDerWaalsContact C-N 3.3Å; R24-R26 PolarHBondContact O-N 3.47Å; R24-R27 PolarHBondContact O-N 3.49Å; R24-R27 VanDerWaalsContact O-N 3.09Å; R24-D28 PolarHBondContact O-N 2.95Å |
| 25 | K | 98.5 | Very high | 97.3 | Very high | 156 Ų | 156 | 95 Ų | 95 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.8 | -42.9 | 176.1 | -175.2 | 178.9 | -179.7 | 179.1 | 0 | 112 | A21 L22 D28 H29 | A21-K25 PolarHBondContact O-N 3.02Å; L22-K25 WeakPolarHBondContact O-CB 3.41Å; L22-K25 PolarHBondContact O-N 3.36Å; K25-D28 PolarHBondContact O-N 3Å; K25-H29 PolarHBondContact O-N 2.87Å |
| 26 | R | 98.7 | Very high | 97.5 | Very high | 142 Ų | 142 | 93.2 Ų | 93.2 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.4 | -178 | -166.9 | 165.8 | -113.1 | -1.1 | 111.8 | L22 E23 R24 D28 H29 I30 | L22-R26 PolarHBondContact O-N 3.3Å; E23-R26 PolarHBondContact O-N 3.11Å; E23-R26 IonicContact OE1-CZ 3.91Å; E23-R26 IonicContact OE1-NH1 2.78Å; E23-R26 PolarHBondContact OE1-NH1 3.48Å; E23-R26 VanDerWaalsContact OE2-CD 3.3Å; E23-R26 WeakPolarHBondContact OE2-CD 3.36Å; E23-R26 IonicContact OE2-NH1 3.61Å; R24-R26 VanDerWaalsContact C-N 3.3Å; R24-R26 PolarHBondContact O-N 3.47Å; R26-D28 VanDerWaalsContact C-N 3.35Å; R26-D28 PolarHBondContact O-N 2.76Å; R26-H29 PolarHBondContact O-N 3.27Å; R26-I30 HydrophobicContact CG-CD1 4.27Å; R26-I30 WeakPolarHBondContact O-CG1 3.44Å; R26-I30 PolarHBondContact O-N 3.17Å |
| 27 | R | 98.6 | Very high | 97.7 | Very high | 126 Ų | 126 | 88.6 Ų | 88.6 | 48% | 0.475 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.3 | -73.5 | -173.7 | -60.8 | -116.5 | -2.4 | 112.4 | E23 R24 I30 K31 | E23-R27 VanDerWaalsContact CG-NH1 3.34Å; E23-R27 WeakPolarHBondContact O-CG 3.35Å; E23-R27 PolarHBondContact O-N 3.4Å; R24-R27 PolarHBondContact O-N 3.49Å; R24-R27 VanDerWaalsContact O-N 3.09Å; R27-I30 PolarHBondContact O-N 2.83Å; R27-K31 WeakPolarHBondContact O-CB 3.3Å; R27-K31 PolarHBondContact O-N 2.95Å |
| 28 | D | 98.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 88.5 Ų | 88.5 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 176.6 | -67.8 | -29.3 | 0 | 0 | 0 | 110.9 | R24 K25 R26 I30 K31 D32 | R24-D28 PolarHBondContact O-N 2.95Å; K25-D28 PolarHBondContact O-N 3Å; R26-D28 VanDerWaalsContact C-N 3.35Å; R26-D28 PolarHBondContact O-N 2.76Å; D28-I30 PolarHBondContact O-N 2.89Å; D28-K31 WeakPolarHBondContact O-CA 3.39Å; D28-K31 WeakPolarHBondContact O-CB 3.38Å; D28-K31 PolarHBondContact O-N 3.31Å; D28-K31 VanDerWaalsContact O-N 3.09Å; D28-D32 PolarHBondContact O-N 2.81Å |
| 29 | H | 98.7 | Very high | 97.9 | Very high | 126 Ų | 126 | 87.1 Ų | 87.1 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.9 | -42.8 | 174 | 178.3 | -100.2 | 0 | 0 | 0 | 113.2 | K25 R26 K31 D32 S33 | K25-H29 PolarHBondContact O-N 2.87Å; R26-H29 PolarHBondContact O-N 3.27Å; H29-K31 VanDerWaalsContact C-N 3.34Å; H29-D32 PolarHBondContact O-N 3Å; H29-S33 WeakPolarHBondContact O-CB 3.48Å; H29-S33 PolarHBondContact O-N 3.13Å; H29-S33 PolarHBondContact O-OG 2.92Å |
| 30 | I | 98.5 | Very high | 97.9 | Very high | 56 Ų | 56 | 85.1 Ų | 85.1 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.9 | -69.4 | 170.1 | 0 | 0 | 0 | 110.4 | R26 R27 D28 D32 S33 F34 | R26-I30 HydrophobicContact CG-CD1 4.27Å; R26-I30 WeakPolarHBondContact O-CG1 3.44Å; R26-I30 PolarHBondContact O-N 3.17Å; R27-I30 PolarHBondContact O-N 2.83Å; D28-I30 PolarHBondContact O-N 2.89Å; I30-D32 VanDerWaalsContact C-N 3.34Å; I30-D32 PolarHBondContact O-N 3.24Å; I30-S33 WeakPolarHBondContact O-CB 3.49Å; I30-S33 PolarHBondContact O-N 3Å; I30-F34 HydrophobicContact CG2-CD2 3.72Å; I30-F34 HydrophobicContact CG2-CE2 3.74Å; I30-F34 WeakPolarHBondContact O-CD2 3.45Å; I30-F34 PolarHBondContact O-N 3.29Å |
| 31 | K | 97.9 | Very high | 97.9 | Very high | 97 Ų | 97 | 81.4 Ų | 81.4 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 176.6 | 173.8 | -171.6 | 163.4 | -160.6 | 0 | 110.5 | R27 D28 H29 S33 F34 H35 | R27-K31 WeakPolarHBondContact O-CB 3.3Å; R27-K31 PolarHBondContact O-N 2.95Å; D28-K31 WeakPolarHBondContact O-CA 3.39Å; D28-K31 WeakPolarHBondContact O-CB 3.38Å; D28-K31 PolarHBondContact O-N 3.31Å; D28-K31 VanDerWaalsContact O-N 3.09Å; H29-K31 VanDerWaalsContact C-N 3.34Å; K31-S33 VanDerWaalsContact C-N 3.34Å; K31-S33 PolarHBondContact O-N 2.97Å; K31-F34 WeakPolarHBondContact O-CB 3.38Å; K31-F34 PolarHBondContact O-N 2.85Å; K31-H35 PolarHBondContact O-N 3.09Å; K31-H35 VanDerWaalsContact O-N 3.11Å; K31-H35 PolarHBondContact O-ND1 2.96Å |
| 32 | D | 98 | Very high | 97.9 | Very high | 91 Ų | 91 | 82.4 Ų | 82.4 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -41 | 178.5 | -63.7 | -17.4 | 0 | 0 | 0 | 111.4 | D28 H29 I30 F34 H35 S36 | D28-D32 PolarHBondContact O-N 2.81Å; H29-D32 PolarHBondContact O-N 3Å; I30-D32 VanDerWaalsContact C-N 3.34Å; I30-D32 PolarHBondContact O-N 3.24Å; D32-F34 VanDerWaalsContact C-N 3.31Å; D32-F34 PolarHBondContact O-N 3.06Å; D32-H35 WeakPolarHBondContact O-CB 3.32Å; D32-H35 PolarHBondContact O-N 3.48Å; D32-S36 PolarHBondContact O-N 3.4Å; D32-S36 PolarHBondContact O-OG 3.46Å |
| 33 | S | 98.2 | Very high | 97.8 | Very high | 56 Ų | 56 | 81.3 Ų | 81.3 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 173.7 | -58 | 0 | 0 | 0 | 0 | 112.5 | H29 I30 K31 S36 L37 | H29-S33 WeakPolarHBondContact O-CB 3.48Å; H29-S33 PolarHBondContact O-N 3.13Å; H29-S33 PolarHBondContact O-OG 2.92Å; I30-S33 WeakPolarHBondContact O-CB 3.49Å; I30-S33 PolarHBondContact O-N 3Å; K31-S33 VanDerWaalsContact C-N 3.34Å; K31-S33 PolarHBondContact O-N 2.97Å; S33-S36 PolarHBondContact O-N 3.22Å; S33-L37 WeakPolarHBondContact O-CB 3.37Å; S33-L37 PolarHBondContact O-N 3.28Å |
| 34 | F | 98 | Very high | 97.7 | Very high | 41 Ų | 41 | 79.3 Ų | 79.3 | 18% | 0.18 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66 | -35.4 | 174.5 | -92.8 | -77.2 | 0 | 0 | 0 | 112.6 | I30 K31 D32 R38 R51 I54 L55 | I30-F34 HydrophobicContact CG2-CD2 3.72Å; I30-F34 HydrophobicContact CG2-CE2 3.74Å; I30-F34 WeakPolarHBondContact O-CD2 3.45Å; I30-F34 PolarHBondContact O-N 3.29Å; K31-F34 WeakPolarHBondContact O-CB 3.38Å; K31-F34 PolarHBondContact O-N 2.85Å; D32-F34 VanDerWaalsContact C-N 3.31Å; D32-F34 PolarHBondContact O-N 3.06Å; F34-R38 WeakPolarHBondContact O-CB 3.46Å; F34-R38 PolarHBondContact O-N 2.92Å; F34-R51 HydrophobicContact CD1-CB 4.4Å; F34-R51 HydrophobicContact CD1-CG 4.11Å; F34-R51 HydrophobicContact CD2-CG 4.47Å; F34-R51 HydrophobicContact CE1-CB 3.86Å; F34-R51 HydrophobicContact CE1-CG 3.96Å; F34-R51 HydrophobicContact CE2-CG 4.34Å; F34-R51 HydrophobicContact CG-CG 4.37Å; F34-R51 HydrophobicContact CZ-CB 4.08Å; F34-R51 HydrophobicContact CZ-CG 4.09Å; F34-I54 HydrophobicContact CD1-CB 4.21Å; F34-I54 HydrophobicContact CD1-CD1 3.97Å; F34-I54 HydrophobicContact CD1-CG2 3.99Å; F34-I54 HydrophobicContact CE1-CB 4.48Å; F34-I54 HydrophobicContact CE1-CG2 4.45Å; F34-L55 HydrophobicContact CE1-CD1 4.46Å; F34-L55 HydrophobicContact CE1-CD2 3.99Å; F34-L55 HydrophobicContact CE1-CG 4.02Å; F34-L55 HydrophobicContact CZ-CD1 4.41Å; F34-L55 HydrophobicContact CZ-CD2 4.27Å; F34-L55 HydrophobicContact CZ-CG 4.4Å |
| 35 | H | 96.6 | Very high | 97.4 | Very high | 77 Ų | 77 | 78.3 Ų | 78.3 | 36% | 0.356 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -49.1 | 174.2 | -69.9 | 90.4 | 0 | 0 | 0 | 110.6 | K31 D32 L37 R38 D39 | K31-H35 PolarHBondContact O-N 3.09Å; K31-H35 VanDerWaalsContact O-N 3.11Å; K31-H35 PolarHBondContact O-ND1 2.96Å; D32-H35 WeakPolarHBondContact O-CB 3.32Å; D32-H35 PolarHBondContact O-N 3.48Å; H35-L37 VanDerWaalsContact C-N 3.3Å; H35-L37 PolarHBondContact O-N 3.35Å; H35-R38 WeakPolarHBondContact O-CB 3.29Å; H35-R38 PolarHBondContact O-N 2.9Å; H35-D39 VanDerWaalsContact O-CG 3.24Å; H35-D39 PolarHBondContact O-N 3.46Å |
| 36 | S | 97.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 74.7 Ų | 74.7 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | D32 S33 D39 S40 | D32-S36 PolarHBondContact O-N 3.4Å; D32-S36 PolarHBondContact O-OG 3.46Å; S33-S36 PolarHBondContact O-N 3.22Å; S36-D39 PolarHBondContact O-N 3.37Å; S36-S40 WeakPolarHBondContact O-CB 3.48Å; S36-S40 PolarHBondContact O-N 3.25Å; S36-S40 PolarHBondContact O-OG 2.94Å |
| 37 | L | 97.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 73.6 Ų | 73.6 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 177.3 | -178.5 | 58.5 | 0 | 0 | 0 | 111.8 | S33 H35 D39 S40 V41 I54 L55 A58 | S33-L37 WeakPolarHBondContact O-CB 3.37Å; S33-L37 PolarHBondContact O-N 3.28Å; H35-L37 VanDerWaalsContact C-N 3.3Å; H35-L37 PolarHBondContact O-N 3.35Å; L37-D39 VanDerWaalsContact C-N 3.32Å; L37-D39 PolarHBondContact O-N 2.96Å; L37-S40 PolarHBondContact O-N 3.11Å; L37-V41 WeakPolarHBondContact O-CG2 3.44Å; L37-V41 PolarHBondContact O-N 3.19Å; L37-I54 HydrophobicContact CB-CG2 4.12Å; L37-I54 HydrophobicContact CD2-CG2 3.68Å; L37-I54 HydrophobicContact CG-CG2 3.69Å; L37-L55 HydrophobicContact CD2-CD2 4.26Å; L37-A58 HydrophobicContact CD1-CB 3.88Å; L37-A58 HydrophobicContact CD2-CB 4.27Å; L37-A58 HydrophobicContact CG-CB 4.22Å |
| 38 | R | 97.4 | Very high | 96.2 | Very high | 54 Ų | 54 | 77.6 Ų | 77.6 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 175.5 | -177.7 | -161 | 63.2 | -169.5 | -6.6 | 110.9 | F34 H35 S40 V41 L44 E47 I54 | F34-R38 WeakPolarHBondContact O-CB 3.46Å; F34-R38 PolarHBondContact O-N 2.92Å; H35-R38 WeakPolarHBondContact O-CB 3.29Å; H35-R38 PolarHBondContact O-N 2.9Å; R38-S40 PolarHBondContact O-N 3.5Å; R38-V41 PolarHBondContact O-N 3.04Å; R38-V41 VanDerWaalsContact O-N 3.15Å; R38-L44 HydrophobicContact CG-CB 3.81Å; R38-L44 HydrophobicContact CG-CD1 4.42Å; R38-E47 WeakPolarHBondContact CD-O 3.43Å; R38-I54 HydrophobicContact CB-CD1 4Å; R38-I54 HydrophobicContact CB-CG1 4.1Å; R38-I54 HydrophobicContact CG-CD1 4.42Å; R38-I54 HydrophobicContact CG-CG1 4.32Å |
| 39 | D | 96.7 | Very high | 96.1 | Very high | 74 Ų | 74 | 75.3 Ų | 75.3 | 40% | 0.396 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.5 | -19.3 | -177 | -61.7 | -11.1 | 0 | 0 | 0 | 112.1 | H35 S36 L37 Q45 | H35-D39 VanDerWaalsContact O-CG 3.24Å; H35-D39 PolarHBondContact O-N 3.46Å; S36-D39 PolarHBondContact O-N 3.37Å; L37-D39 VanDerWaalsContact C-N 3.32Å; L37-D39 PolarHBondContact O-N 2.96Å; D39-Q45 WeakPolarHBondContact O-CG 3.25Å; D39-Q45 PolarHBondContact O-NE2 3.46Å |
| 40 | S | 96.9 | Very high | 96 | Very high | 80 Ų | 80 | 72 Ų | 72 | 56% | 0.559 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -80.9 | -14 | 173.9 | -59.1 | 0 | 0 | 0 | 0 | 114 | S36 L37 R38 | S36-S40 WeakPolarHBondContact O-CB 3.48Å; S36-S40 PolarHBondContact O-N 3.25Å; S36-S40 PolarHBondContact O-OG 2.94Å; L37-S40 PolarHBondContact O-N 3.11Å; R38-S40 PolarHBondContact O-N 3.5Å |
| 41 | V | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 76.6 Ų | 76.6 | 2% | 0.024 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -103 | 110.9 | -178.5 | 177.4 | 0 | 0 | 0 | 0 | 109 | L37 R38 S43 L44 Q45 K57 A58 Y61 | L37-V41 WeakPolarHBondContact O-CG2 3.44Å; L37-V41 PolarHBondContact O-N 3.19Å; R38-V41 PolarHBondContact O-N 3.04Å; R38-V41 VanDerWaalsContact O-N 3.15Å; V41-S43 WeakPolarHBondContact CG1-OG 3.18Å; V41-S43 PolarHBondContact O-N 3.44Å; V41-S43 VanDerWaalsContact O-N 3.08Å; V41-L44 HydrophobicContact CB-CB 4.4Å; V41-L44 HydrophobicContact CB-CD1 4.31Å; V41-L44 HydrophobicContact CB-CG 4.42Å; V41-L44 HydrophobicContact CG1-CB 4.47Å; V41-L44 HydrophobicContact CG1-CD1 4.25Å; V41-L44 HydrophobicContact CG1-CG 4.1Å; V41-L44 PolarHBondContact O-N 3.41Å; V41-Q45 PolarHBondContact O-N 2.89Å; V41-K57 HydrophobicContact CG1-CB 4.12Å; V41-A58 HydrophobicContact CG2-CB 3.88Å; V41-Y61 HydrophobicContact CG1-CG 4.5Å |
| 42 | P | 97.3 | Very high | 96 | Very high | 66 Ų | 66 | 74.8 Ų | 74.8 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -56.4 | -32.4 | -172.2 | -29.3 | 36 | 0 | 0 | 0 | 115 | L44 Y61 | P42-L44 PolarHBondContact O-N 3.48Å; P42-Y61 VanDerWaalsContact CD-CZ 3.48Å; P42-Y61 HydrophobicContact CG-CE1 4.4Å; P42-Y61 HydrophobicContact CG-CE2 3.89Å |
| 43 | S | 96.1 | Very high | 96 | Very high | 66 Ų | 66 | 75.2 Ų | 75.2 | 46% | 0.462 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -74.7 | -6.3 | 178.9 | 54 | 0 | 0 | 0 | 0 | 114.6 | V41 | V41-S43 WeakPolarHBondContact CG1-OG 3.18Å; V41-S43 PolarHBondContact O-N 3.44Å; V41-S43 VanDerWaalsContact O-N 3.08Å |
| 44 | L | 96.3 | Very high | 96 | Very high | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.052 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -118.3 | -4.9 | -179.6 | -65.2 | -175.7 | 0 | 0 | 0 | 113.4 | R38 V41 P42 G46 E47 A49 I54 K57 | R38-L44 HydrophobicContact CG-CB 3.81Å; R38-L44 HydrophobicContact CG-CD1 4.42Å; V41-L44 HydrophobicContact CB-CB 4.4Å; V41-L44 HydrophobicContact CB-CD1 4.31Å; V41-L44 HydrophobicContact CB-CG 4.42Å; V41-L44 HydrophobicContact CG1-CB 4.47Å; V41-L44 HydrophobicContact CG1-CD1 4.25Å; V41-L44 HydrophobicContact CG1-CG 4.1Å; V41-L44 PolarHBondContact O-N 3.41Å; P42-L44 PolarHBondContact O-N 3.48Å; L44-G46 PolarHBondContact O-N 2.92Å; L44-E47 PolarHBondContact O-N 2.84Å; L44-E47 VanDerWaalsContact O-N 3.14Å; L44-A49 HydrophobicContact CD1-CB 4.31Å; L44-A49 HydrophobicContact CD2-CB 3.92Å; L44-I54 HydrophobicContact CD1-CB 4.34Å; L44-I54 HydrophobicContact CD1-CG1 4.06Å; L44-K57 HydrophobicContact CD1-CB 3.74Å; L44-K57 HydrophobicContact CD1-CG 4.24Å; L44-K57 HydrophobicContact CD2-CB 4.36Å; L44-K57 HydrophobicContact CD2-CG 4.01Å; L44-K57 HydrophobicContact CG-CB 4Å; L44-K57 HydrophobicContact CG-CG 4.21Å |
| 45 | Q | 92 | Very high | 96 | Very high | 115 Ų | 115 | 75.1 Ų | 75.1 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 126.6 | -177.4 | -76.4 | -179.2 | -13.9 | 0 | 0 | 110.8 | D39 V41 E47 | D39-Q45 WeakPolarHBondContact O-CG 3.25Å; D39-Q45 PolarHBondContact O-NE2 3.46Å; V41-Q45 PolarHBondContact O-N 2.89Å; Q45-E47 PolarHBondContact O-N 3.48Å |
| 46 | G | 87.7 | Confident | 96.1 | Very high | 81 Ų | 81 | 76 Ų | 76 | 84% | 0.835 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -2.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L44 | L44-G46 PolarHBondContact O-N 2.92Š|
| 47 | E | 88.8 | Confident | 96.2 | Very high | 119 Ų | 119 | 76.1 Ų | 76.1 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -100.7 | 152.7 | -178.4 | -64.6 | -169.6 | -178.3 | 0 | 0 | 112.9 | R38 L44 Q45 A49 | R38-E47 WeakPolarHBondContact CD-O 3.43Å; L44-E47 PolarHBondContact O-N 2.84Å; L44-E47 VanDerWaalsContact O-N 3.14Å; Q45-E47 PolarHBondContact O-N 3.48Å; E47-A49 PolarHBondContact O-N 2.9Å |
| 48 | K | 94 | Very high | 96.2 | Very high | 210 Ų | 210 | 73.7 Ų | 73.7 | 91% | 0.913 | 41% | 0.406 | S | S | * | . | trans | -79.1 | 109.9 | 167.4 | -70.9 | -176.3 | 179.1 | 176.7 | 0 | 108.2 | ||||
| 49 | A | 96.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 74.8 Ų | 74.8 | 22% | 0.215 | 42% | 0.418 | C | S | . | . | trans | -116.4 | 139.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L44 E47 Q53 I54 | L44-A49 HydrophobicContact CD1-CB 4.31Å; L44-A49 HydrophobicContact CD2-CB 3.92Å; E47-A49 PolarHBondContact O-N 2.9Å; A49-Q53 HydrophobicContact CB-CB 4.45Å; A49-I54 HydrophobicContact CB-CD1 4.37Å; A49-I54 HydrophobicContact CB-CG1 3.78Å | ||
| 50 | S | 97.2 | Very high | 96.3 | Very high | 56 Ų | 56 | 75.8 Ų | 75.8 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | trans | -69.3 | 159.6 | 170.3 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | A52 Q53 I54 | S50-A52 PolarHBondContact O-N 3.08Å; S50-Q53 PolarHBondContact O-N 3.49Å; S50-Q53 WeakPolarHBondContact OG-CB 3.17Å; S50-Q53 VanDerWaalsContact OG-CG 3.26Å; S50-Q53 WeakPolarHBondContact OG-CG 3.39Å; S50-Q53 PolarHBondContact OG-N 3.35Å; S50-Q53 PolarHBondContact OG-OE1 3.25Å; S50-I54 WeakPolarHBondContact O-CG1 3.37Å; S50-I54 PolarHBondContact O-N 2.92Å | ||
| 51 | R | 97.8 | Very high | 96.4 | Very high | 152 Ų | 152 | 75.6 Ų | 75.6 | 57% | 0.574 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.8 | -39.4 | 176.5 | -72.6 | -177.3 | 173.3 | 86.4 | -0.3 | 112.4 | F34 I54 L55 | F34-R51 HydrophobicContact CD1-CB 4.4Å; F34-R51 HydrophobicContact CD1-CG 4.11Å; F34-R51 HydrophobicContact CD2-CG 4.47Å; F34-R51 HydrophobicContact CE1-CB 3.86Å; F34-R51 HydrophobicContact CE1-CG 3.96Å; F34-R51 HydrophobicContact CE2-CG 4.34Å; F34-R51 HydrophobicContact CG-CG 4.37Å; F34-R51 HydrophobicContact CZ-CB 4.08Å; F34-R51 HydrophobicContact CZ-CG 4.09Å; R51-I54 PolarHBondContact O-N 2.92Å; R51-L55 WeakPolarHBondContact O-CG 3.42Å; R51-L55 PolarHBondContact O-N 3.43Å |
| 52 | A | 98.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 79.9 Ų | 79.9 | 49% | 0.488 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -51.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S50 I54 L55 D56 | S50-A52 PolarHBondContact O-N 3.08Å; A52-I54 VanDerWaalsContact C-N 3.29Å; A52-I54 PolarHBondContact O-N 3.42Å; A52-L55 PolarHBondContact O-N 3.47Å; A52-L55 VanDerWaalsContact O-N 3.07Å; A52-D56 VanDerWaalsContact O-CG 3.31Å; A52-D56 PolarHBondContact O-N 3.08Å |
| 53 | Q | 97.9 | Very high | 96.5 | Very high | 101 Ų | 101 | 81.8 Ų | 81.8 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 178.1 | -73.3 | 168.1 | -57.5 | 0 | 0 | 113 | A49 S50 L55 D56 K57 | A49-Q53 HydrophobicContact CB-CB 4.45Å; S50-Q53 PolarHBondContact O-N 3.49Å; S50-Q53 WeakPolarHBondContact OG-CB 3.17Å; S50-Q53 VanDerWaalsContact OG-CG 3.26Å; S50-Q53 WeakPolarHBondContact OG-CG 3.39Å; S50-Q53 PolarHBondContact OG-N 3.35Å; S50-Q53 PolarHBondContact OG-OE1 3.25Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 2.9Å; Q53-D56 PolarHBondContact O-N 2.94Å; Q53-K57 VanDerWaalsContact O-CB 3.28Å; Q53-K57 WeakPolarHBondContact O-CB 3.43Å; Q53-K57 VanDerWaalsContact O-CG 3.28Å; Q53-K57 WeakPolarHBondContact O-CG 3.45Å; Q53-K57 PolarHBondContact O-N 3.28Å |
| 54 | I | 98.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 84 Ų | 84 | 5% | 0.046 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 176.2 | -66.6 | 165.5 | 0 | 0 | 0 | 110.7 | F34 L37 R38 L44 A49 S50 R51 A52 A58 | F34-I54 HydrophobicContact CD1-CB 4.21Å; F34-I54 HydrophobicContact CD1-CD1 3.97Å; F34-I54 HydrophobicContact CD1-CG2 3.99Å; F34-I54 HydrophobicContact CE1-CB 4.48Å; F34-I54 HydrophobicContact CE1-CG2 4.45Å; L37-I54 HydrophobicContact CB-CG2 4.12Å; L37-I54 HydrophobicContact CD2-CG2 3.68Å; L37-I54 HydrophobicContact CG-CG2 3.69Å; R38-I54 HydrophobicContact CB-CD1 4Å; R38-I54 HydrophobicContact CB-CG1 4.1Å; R38-I54 HydrophobicContact CG-CD1 4.42Å; R38-I54 HydrophobicContact CG-CG1 4.32Å; L44-I54 HydrophobicContact CD1-CB 4.34Å; L44-I54 HydrophobicContact CD1-CG1 4.06Å; A49-I54 HydrophobicContact CB-CD1 4.37Å; A49-I54 HydrophobicContact CB-CG1 3.78Å; S50-I54 WeakPolarHBondContact O-CG1 3.37Å; S50-I54 PolarHBondContact O-N 2.92Å; R51-I54 PolarHBondContact O-N 2.92Å; A52-I54 VanDerWaalsContact C-N 3.29Å; A52-I54 PolarHBondContact O-N 3.42Å; I54-A58 WeakPolarHBondContact O-CB 3.36Å; I54-A58 PolarHBondContact O-N 3.39Å |
| 55 | L | 98.5 | Very high | 96.8 | Very high | 85 Ų | 85 | 86.1 Ų | 86.1 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 179.7 | -62.8 | 174.7 | 0 | 0 | 0 | 111.9 | F34 L37 R51 A52 Q53 T59 | F34-L55 HydrophobicContact CE1-CD1 4.46Å; F34-L55 HydrophobicContact CE1-CD2 3.99Å; F34-L55 HydrophobicContact CE1-CG 4.02Å; F34-L55 HydrophobicContact CZ-CD1 4.41Å; F34-L55 HydrophobicContact CZ-CD2 4.27Å; F34-L55 HydrophobicContact CZ-CG 4.4Å; L37-L55 HydrophobicContact CD2-CD2 4.26Å; R51-L55 WeakPolarHBondContact O-CG 3.42Å; R51-L55 PolarHBondContact O-N 3.43Å; A52-L55 PolarHBondContact O-N 3.47Å; A52-L55 VanDerWaalsContact O-N 3.07Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 2.9Å; L55-T59 WeakPolarHBondContact O-CB 3.39Å; L55-T59 PolarHBondContact O-N 3.31Å; L55-T59 PolarHBondContact O-OG1 3.46Å |
| 56 | D | 98.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 89.4 Ų | 89.4 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -51 | 179.6 | -65.5 | -26 | 0 | 0 | 0 | 110.6 | A52 Q53 A58 T59 E60 | A52-D56 VanDerWaalsContact O-CG 3.31Å; A52-D56 PolarHBondContact O-N 3.08Å; Q53-D56 PolarHBondContact O-N 2.94Å; D56-A58 PolarHBondContact O-N 3.37Å; D56-T59 WeakPolarHBondContact O-CB 3.47Å; D56-T59 PolarHBondContact O-N 2.79Å; D56-E60 WeakPolarHBondContact O-CG 3.41Å; D56-E60 PolarHBondContact O-N 3.3Å |
| 57 | K | 98.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 93.4 Ų | 93.4 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.6 | -34.8 | -179.1 | -67.9 | -74.3 | 163.7 | -153.8 | 0 | 112.9 | V41 L44 Q53 T59 E60 Y61 | V41-K57 HydrophobicContact CG1-CB 4.12Å; L44-K57 HydrophobicContact CD1-CB 3.74Å; L44-K57 HydrophobicContact CD1-CG 4.24Å; L44-K57 HydrophobicContact CD2-CB 4.36Å; L44-K57 HydrophobicContact CD2-CG 4.01Å; L44-K57 HydrophobicContact CG-CB 4Å; L44-K57 HydrophobicContact CG-CG 4.21Å; Q53-K57 VanDerWaalsContact O-CB 3.28Å; Q53-K57 WeakPolarHBondContact O-CB 3.43Å; Q53-K57 VanDerWaalsContact O-CG 3.28Å; Q53-K57 WeakPolarHBondContact O-CG 3.45Å; Q53-K57 PolarHBondContact O-N 3.28Å; K57-T59 VanDerWaalsContact C-N 3.34Å; K57-E60 WeakPolarHBondContact CD-OE2 3.27Å; K57-E60 IonicContact NZ-OE1 3.63Å; K57-E60 PolarHBondContact NZ-OE1 3.14Å; K57-E60 IonicContact NZ-OE2 2.84Å; K57-E60 PolarHBondContact NZ-OE2 3Å; K57-E60 PolarHBondContact O-N 3.3Å; K57-Y61 VanDerWaalsContact O-CB 3.25Å; K57-Y61 WeakPolarHBondContact O-CB 3.35Å; K57-Y61 PolarHBondContact O-N 3.38Å |
| 58 | A | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 91.6 Ų | 91.6 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L37 V41 I54 D56 Y61 I62 | L37-A58 HydrophobicContact CD1-CB 3.88Å; L37-A58 HydrophobicContact CD2-CB 4.27Å; L37-A58 HydrophobicContact CG-CB 4.22Å; V41-A58 HydrophobicContact CG2-CB 3.88Å; I54-A58 WeakPolarHBondContact O-CB 3.36Å; I54-A58 PolarHBondContact O-N 3.39Å; D56-A58 PolarHBondContact O-N 3.37Å; A58-Y61 PolarHBondContact O-N 2.93Å; A58-I62 WeakPolarHBondContact O-CG1 3.43Å; A58-I62 PolarHBondContact O-N 3.07Å |
| 59 | T | 98.6 | Very high | 98.3 | Very high | 76 Ų | 76 | 86.1 Ų | 86.1 | 47% | 0.466 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 176.8 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | L55 D56 K57 Y61 I62 Q63 | L55-T59 WeakPolarHBondContact O-CB 3.39Å; L55-T59 PolarHBondContact O-N 3.31Å; L55-T59 PolarHBondContact O-OG1 3.46Å; D56-T59 WeakPolarHBondContact O-CB 3.47Å; D56-T59 PolarHBondContact O-N 2.79Å; K57-T59 VanDerWaalsContact C-N 3.34Å; T59-Y61 VanDerWaalsContact C-N 3.31Å; T59-Y61 PolarHBondContact O-N 3.08Å; T59-I62 PolarHBondContact O-N 3.23Å; T59-Q63 WeakPolarHBondContact O-CG 3.44Å; T59-Q63 PolarHBondContact O-N 2.89Å; T59-Q63 VanDerWaalsContact O-N 3.11Å |
| 60 | E | 98.5 | Very high | 98.4 | Very high | 95 Ų | 95 | 90.3 Ų | 90.3 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 173.5 | -73.3 | 175.6 | -164.9 | 0 | 0 | 111.4 | D56 K57 Q63 Y64 | D56-E60 WeakPolarHBondContact O-CG 3.41Å; D56-E60 PolarHBondContact O-N 3.3Å; K57-E60 WeakPolarHBondContact CD-OE2 3.27Å; K57-E60 IonicContact NZ-OE1 3.63Å; K57-E60 PolarHBondContact NZ-OE1 3.14Å; K57-E60 IonicContact NZ-OE2 2.84Å; K57-E60 PolarHBondContact NZ-OE2 3Å; K57-E60 PolarHBondContact O-N 3.3Å; E60-Q63 PolarHBondContact O-N 3.2Å; E60-Y64 WeakPolarHBondContact O-CB 3.49Å; E60-Y64 PolarHBondContact O-N 3.14Å |
| 61 | Y | 98.7 | Very high | 98.5 | Very high | 76 Ų | 76 | 90.8 Ų | 90.8 | 30% | 0.298 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | -178.6 | -173 | -120 | 0 | 0 | 0 | 112.4 | V41 P42 K57 A58 T59 Q63 Y64 M65 | V41-Y61 HydrophobicContact CG1-CG 4.5Å; P42-Y61 VanDerWaalsContact CD-CZ 3.48Å; P42-Y61 HydrophobicContact CG-CE1 4.4Å; P42-Y61 HydrophobicContact CG-CE2 3.89Å; K57-Y61 VanDerWaalsContact O-CB 3.25Å; K57-Y61 WeakPolarHBondContact O-CB 3.35Å; K57-Y61 PolarHBondContact O-N 3.38Å; A58-Y61 PolarHBondContact O-N 2.93Å; T59-Y61 VanDerWaalsContact C-N 3.31Å; T59-Y61 PolarHBondContact O-N 3.08Å; Y61-Q63 PolarHBondContact O-N 3.04Å; Y61-Y64 HydrophobicContact CD2-CD1 4Å; Y61-Y64 HydrophobicContact CE2-CD1 4.03Å; Y61-Y64 HydrophobicContact CE2-CE1 4.36Å; Y61-Y64 PolarHBondContact O-N 3.31Å; Y61-M65 HydrophobicContact CD1-CG 4.38Å; Y61-M65 HydrophobicContact CD2-CG 4.2Å; Y61-M65 HydrophobicContact CE1-CG 3.99Å; Y61-M65 HydrophobicContact CE2-CG 3.79Å; Y61-M65 HydrophobicContact CE2-SD 3.99Å; Y61-M65 HydrophobicContact CG-CG 4.47Å; Y61-M65 WeakPolarHBondContact O-CB 3.44Å; Y61-M65 WeakPolarHBondContact O-CG 3.45Å; Y61-M65 PolarHBondContact O-N 3.42Å |
| 62 | I | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 87.5 Ų | 87.5 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 173.2 | -70.2 | 165.8 | 0 | 0 | 0 | 110.5 | A58 T59 M65 R66 | A58-I62 WeakPolarHBondContact O-CG1 3.43Å; A58-I62 PolarHBondContact O-N 3.07Å; T59-I62 PolarHBondContact O-N 3.23Å; I62-M65 PolarHBondContact O-N 2.85Å; I62-R66 WeakPolarHBondContact O-CB 3.39Å; I62-R66 WeakPolarHBondContact O-CG 3.47Å; I62-R66 PolarHBondContact O-N 2.87Å |
| 63 | Q | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 88.9 Ų | 88.9 | 50% | 0.495 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.5 | -68.2 | 178.3 | 5.1 | 0 | 0 | 112.2 | T59 E60 Y61 R67 | T59-Q63 WeakPolarHBondContact O-CG 3.44Å; T59-Q63 PolarHBondContact O-N 2.89Å; T59-Q63 VanDerWaalsContact O-N 3.11Å; E60-Q63 PolarHBondContact O-N 3.2Å; Y61-Q63 PolarHBondContact O-N 3.04Å; Q63-R67 PolarHBondContact O-N 3.2Å; Q63-R67 VanDerWaalsContact O-N 3.12Å |
| 64 | Y | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 88.5 Ų | 88.5 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.2 | -51.3 | 173.7 | 167.9 | -102.1 | 0 | 0 | 0 | 111.4 | E60 Y61 R66 R67 K68 | E60-Y64 WeakPolarHBondContact O-CB 3.49Å; E60-Y64 PolarHBondContact O-N 3.14Å; Y61-Y64 HydrophobicContact CD2-CD1 4Å; Y61-Y64 HydrophobicContact CE2-CD1 4.03Å; Y61-Y64 HydrophobicContact CE2-CE1 4.36Å; Y61-Y64 PolarHBondContact O-N 3.31Å; Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 3.02Å; Y64-R67 PolarHBondContact O-N 3.12Å; Y64-K68 HydrophobicContact CE1-CD 4.01Å; Y64-K68 WeakPolarHBondContact O-CB 3.28Å; Y64-K68 PolarHBondContact O-N 2.96Å |
| 65 | M | 98.7 | Very high | 98.6 | Very high | 55 Ų | 55 | 91.7 Ų | 91.7 | 27% | 0.271 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | -179.7 | -73.4 | -58.3 | -65.1 | 0 | 0 | 112.2 | Y61 I62 K68 N69 | Y61-M65 HydrophobicContact CD1-CG 4.38Å; Y61-M65 HydrophobicContact CD2-CG 4.2Å; Y61-M65 HydrophobicContact CE1-CG 3.99Å; Y61-M65 HydrophobicContact CE2-CG 3.79Å; Y61-M65 HydrophobicContact CE2-SD 3.99Å; Y61-M65 HydrophobicContact CG-CG 4.47Å; Y61-M65 WeakPolarHBondContact O-CB 3.44Å; Y61-M65 WeakPolarHBondContact O-CG 3.45Å; Y61-M65 PolarHBondContact O-N 3.42Å; I62-M65 PolarHBondContact O-N 2.85Å; M65-K68 HydrophobicContact SD-CD 4.42Å; M65-N69 VanDerWaalsContact O-CB 3.27Å; M65-N69 WeakPolarHBondContact O-CB 3.49Å; M65-N69 VanDerWaalsContact O-CG 3.31Å; M65-N69 PolarHBondContact O-N 3.04Å; M65-N69 PolarHBondContact O-ND2 3.29Å |
| 66 | R | 98.7 | Very high | 98.7 | Very high | 184 Ų | 184 | 91.2 Ų | 91.2 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.2 | -49.4 | 172.3 | -77.1 | 177.4 | 176.4 | -173.9 | -0.2 | 112.1 | I62 Y64 H70 | I62-R66 WeakPolarHBondContact O-CB 3.39Å; I62-R66 WeakPolarHBondContact O-CG 3.47Å; I62-R66 PolarHBondContact O-N 2.87Å; Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 PolarHBondContact O-N 3.02Å; R66-H70 WeakPolarHBondContact O-CB 3.4Å; R66-H70 PolarHBondContact O-N 3.21Å |
| 67 | R | 98.7 | Very high | 98.7 | Very high | 165 Ų | 165 | 90 Ų | 90 | 62% | 0.623 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 177.5 | -73.7 | -177.1 | -70.6 | 173.4 | -2.6 | 111.6 | Q63 Y64 H70 T71 | Q63-R67 PolarHBondContact O-N 3.2Å; Q63-R67 VanDerWaalsContact O-N 3.12Å; Y64-R67 PolarHBondContact O-N 3.12Å; R67-H70 WeakPolarHBondContact O-CB 3.32Å; R67-H70 PolarHBondContact O-N 3.45Å; R67-T71 PolarHBondContact O-N 3.09Å; R67-T71 PolarHBondContact O-OG1 3.15Å |
| 68 | K | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 89.5 Ų | 89.5 | 35% | 0.352 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 179.3 | -176 | 178.2 | -178.6 | 177.1 | 0 | 112.2 | Y64 M65 H70 T71 H72 | Y64-K68 HydrophobicContact CE1-CD 4.01Å; Y64-K68 WeakPolarHBondContact O-CB 3.28Å; Y64-K68 PolarHBondContact O-N 2.96Å; M65-K68 HydrophobicContact SD-CD 4.42Å; K68-H70 VanDerWaalsContact C-N 3.3Å; K68-H70 PolarHBondContact O-N 3.22Å; K68-T71 PolarHBondContact O-N 3.35Å; K68-H72 WeakPolarHBondContact CE-NE2 3.25Å; K68-H72 WeakPolarHBondContact CG-NE2 3.45Å; K68-H72 PolarHBondContact O-CD2 3.35Å; K68-H72 PolarHBondContact O-N 2.74Å |
| 69 | N | 98.7 | Very high | 98.7 | Very high | 95 Ų | 95 | 93.7 Ų | 93.7 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 176.6 | -77.9 | -30 | 0 | 0 | 0 | 112.1 | M65 H72 Q73 | M65-N69 VanDerWaalsContact O-CB 3.27Å; M65-N69 WeakPolarHBondContact O-CB 3.49Å; M65-N69 VanDerWaalsContact O-CG 3.31Å; M65-N69 PolarHBondContact O-N 3.04Å; M65-N69 PolarHBondContact O-ND2 3.29Å; N69-H72 PolarHBondContact O-N 3.41Å; N69-Q73 WeakPolarHBondContact O-CB 3.49Å; N69-Q73 PolarHBondContact O-N 3.27Å |
| 70 | H | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 96.1 Ų | 96.1 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 175.7 | -178.7 | 64.7 | 0 | 0 | 0 | 112.1 | R66 R67 K68 Q73 Q74 | R66-H70 WeakPolarHBondContact O-CB 3.4Å; R66-H70 PolarHBondContact O-N 3.21Å; R67-H70 WeakPolarHBondContact O-CB 3.32Å; R67-H70 PolarHBondContact O-N 3.45Å; K68-H70 VanDerWaalsContact C-N 3.3Å; K68-H70 PolarHBondContact O-N 3.22Å; H70-Q73 PolarHBondContact O-N 2.86Å; H70-Q74 PolarHBondContact NE2-NE2 2.93Å; H70-Q74 WeakPolarHBondContact O-CG 3.45Å; H70-Q74 PolarHBondContact O-N 2.89Å |
| 71 | T | 98.7 | Very high | 98.7 | Very high | 66 Ų | 66 | 99.7 Ų | 99.7 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | R67 K68 Q73 Q74 D75 | R67-T71 PolarHBondContact O-N 3.09Å; R67-T71 PolarHBondContact O-OG1 3.15Å; K68-T71 PolarHBondContact O-N 3.35Å; T71-Q73 VanDerWaalsContact C-N 3.25Å; T71-Q73 PolarHBondContact O-N 3.42Å; T71-Q74 WeakPolarHBondContact O-CB 3.43Å; T71-Q74 PolarHBondContact O-N 3.46Å; T71-Q74 VanDerWaalsContact O-N 3.08Å; T71-D75 VanDerWaalsContact O-CG 3.24Å; T71-D75 PolarHBondContact O-N 2.98Å |
| 72 | H | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 38% | 0.384 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -35.3 | 176.7 | -70 | -22.9 | 0 | 0 | 0 | 112.9 | K68 N69 D75 I76 | K68-H72 WeakPolarHBondContact CE-NE2 3.25Å; K68-H72 WeakPolarHBondContact CG-NE2 3.45Å; K68-H72 PolarHBondContact O-CD2 3.35Å; K68-H72 PolarHBondContact O-N 2.74Å; N69-H72 PolarHBondContact O-N 3.41Å; H72-D75 IonicContact ND1-OD2 3.53Å; H72-D75 PolarHBondContact O-N 3.38Å; H72-I76 WeakPolarHBondContact O-CB 3.37Å; H72-I76 WeakPolarHBondContact O-CD1 3.15Å; H72-I76 WeakPolarHBondContact O-CG1 3.37Å; H72-I76 PolarHBondContact O-N 2.96Å |
| 73 | Q | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 101.3 Ų | 101.3 | 42% | 0.416 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.1 | -171.3 | 58 | 56.7 | 0 | 0 | 111.5 | N69 H70 T71 I76 D77 | N69-Q73 WeakPolarHBondContact O-CB 3.49Å; N69-Q73 PolarHBondContact O-N 3.27Å; H70-Q73 PolarHBondContact O-N 2.86Å; T71-Q73 VanDerWaalsContact C-N 3.25Å; T71-Q73 PolarHBondContact O-N 3.42Å; Q73-I76 PolarHBondContact O-N 3.33Å; Q73-D77 PolarHBondContact NE2-OD1 2.79Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.08Å; Q73-D77 PolarHBondContact NE2-OD2 3.49Å; Q73-D77 PolarHBondContact O-N 3.11Å |
| 74 | Q | 98.7 | Very high | 98.7 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 173.3 | -68.7 | 174.4 | -28.6 | 0 | 0 | 111.3 | H70 T71 I76 D77 D78 | H70-Q74 PolarHBondContact NE2-NE2 2.93Å; H70-Q74 WeakPolarHBondContact O-CG 3.45Å; H70-Q74 PolarHBondContact O-N 2.89Å; T71-Q74 WeakPolarHBondContact O-CB 3.43Å; T71-Q74 PolarHBondContact O-N 3.46Å; T71-Q74 VanDerWaalsContact O-N 3.08Å; Q74-I76 VanDerWaalsContact C-N 3.32Å; Q74-I76 PolarHBondContact O-N 2.83Å; Q74-D77 PolarHBondContact O-N 3.38Å; Q74-D77 VanDerWaalsContact O-N 3.14Å; Q74-D78 PolarHBondContact O-N 2.74Å |
| 75 | D | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 98 Ų | 98 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 177.7 | -60.3 | -27.1 | 0 | 0 | 0 | 111.5 | T71 H72 D77 D78 L79 | T71-D75 VanDerWaalsContact O-CG 3.24Å; T71-D75 PolarHBondContact O-N 2.98Å; H72-D75 IonicContact ND1-OD2 3.53Å; H72-D75 PolarHBondContact O-N 3.38Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D75-D77 PolarHBondContact O-N 3.48Å; D75-D78 PolarHBondContact O-N 2.96Å; D75-L79 WeakPolarHBondContact O-CB 3.28Å; D75-L79 VanDerWaalsContact O-CG 3.25Å; D75-L79 WeakPolarHBondContact O-CG 3.4Å; D75-L79 PolarHBondContact O-N 3.47Å |
| 76 | I | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 99.8 Ų | 99.8 | 39% | 0.39 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.2 | -74 | 165.4 | 0 | 0 | 0 | 110.8 | H72 Q73 Q74 L79 K80 | H72-I76 WeakPolarHBondContact O-CB 3.37Å; H72-I76 WeakPolarHBondContact O-CD1 3.15Å; H72-I76 WeakPolarHBondContact O-CG1 3.37Å; H72-I76 PolarHBondContact O-N 2.96Å; Q73-I76 PolarHBondContact O-N 3.33Å; Q74-I76 VanDerWaalsContact C-N 3.32Å; Q74-I76 PolarHBondContact O-N 2.83Å; I76-L79 PolarHBondContact O-N 3.48Å; I76-K80 HydrophobicContact CG2-CD 4.19Å; I76-K80 WeakPolarHBondContact O-CB 3.33Å; I76-K80 VanDerWaalsContact O-CG 3.29Å; I76-K80 WeakPolarHBondContact O-CG 3.37Å; I76-K80 PolarHBondContact O-N 3.29Å |
| 77 | D | 98.7 | Very high | 98.6 | Very high | 69 Ų | 69 | 95.8 Ų | 95.8 | 37% | 0.369 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.9 | -38.6 | -177.7 | -66.6 | -22.5 | 0 | 0 | 0 | 111.6 | Q73 Q74 D75 K80 R81 | Q73-D77 PolarHBondContact NE2-OD1 2.79Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.08Å; Q73-D77 PolarHBondContact NE2-OD2 3.49Å; Q73-D77 PolarHBondContact O-N 3.11Å; Q74-D77 PolarHBondContact O-N 3.38Å; Q74-D77 VanDerWaalsContact O-N 3.14Å; D75-D77 VanDerWaalsContact C-N 3.34Å; D75-D77 PolarHBondContact O-N 3.48Å; D77-K80 PolarHBondContact O-N 3.49Å; D77-R81 PolarHBondContact O-N 3.22Å |
| 78 | D | 98.7 | Very high | 98.6 | Very high | 67 Ų | 67 | 94.2 Ų | 94.2 | 36% | 0.358 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 174.2 | -76.6 | -26.1 | 0 | 0 | 0 | 111.9 | Q74 D75 K80 R81 Q82 | Q74-D78 PolarHBondContact O-N 2.74Å; D75-D78 PolarHBondContact O-N 2.96Å; D78-K80 VanDerWaalsContact C-N 3.32Å; D78-K80 PolarHBondContact O-N 3.11Å; D78-R81 WeakPolarHBondContact O-CB 3.41Å; D78-R81 PolarHBondContact O-N 3.3Å; D78-R81 IonicContact OD1-CZ 3.47Å; D78-R81 IonicContact OD1-NH1 3.77Å; D78-R81 PolarHBondContact OD1-NH1 3.46Å; D78-R81 IonicContact OD1-NH2 2.74Å; D78-Q82 WeakPolarHBondContact O-CG 3.26Å; D78-Q82 PolarHBondContact O-N 2.97Å |
| 79 | L | 98.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 174.5 | -75.6 | 172.8 | 0 | 0 | 0 | 112.2 | D75 I76 Q82 N83 | D75-L79 WeakPolarHBondContact O-CB 3.28Å; D75-L79 VanDerWaalsContact O-CG 3.25Å; D75-L79 WeakPolarHBondContact O-CG 3.4Å; D75-L79 PolarHBondContact O-N 3.47Å; I76-L79 PolarHBondContact O-N 3.48Å; L79-Q82 PolarHBondContact O-N 2.74Å; L79-N83 WeakPolarHBondContact O-CB 3.47Å; L79-N83 PolarHBondContact O-N 2.92Å; L79-N83 PolarHBondContact O-ND2 3.27Å |
| 80 | K | 98.7 | Very high | 98.5 | Very high | 128 Ų | 128 | 93.9 Ų | 93.9 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 172.9 | -78.7 | 172.9 | -179.8 | 171.8 | 0 | 111.5 | I76 D77 D78 N83 A84 | I76-K80 HydrophobicContact CG2-CD 4.19Å; I76-K80 WeakPolarHBondContact O-CB 3.33Å; I76-K80 VanDerWaalsContact O-CG 3.29Å; I76-K80 WeakPolarHBondContact O-CG 3.37Å; I76-K80 PolarHBondContact O-N 3.29Å; D77-K80 PolarHBondContact O-N 3.49Å; D78-K80 VanDerWaalsContact C-N 3.32Å; D78-K80 PolarHBondContact O-N 3.11Å; K80-N83 PolarHBondContact O-N 3.07Å; K80-A84 WeakPolarHBondContact O-CB 3.44Å; K80-A84 PolarHBondContact O-N 3.26Å |
| 81 | R | 98.5 | Very high | 98.4 | Very high | 170 Ų | 170 | 95.8 Ų | 95.8 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 177 | -169.4 | -171.3 | -60.9 | 130.1 | 7.4 | 111.4 | D77 D78 A84 L85 | D77-R81 PolarHBondContact O-N 3.22Å; D78-R81 WeakPolarHBondContact O-CB 3.41Å; D78-R81 PolarHBondContact O-N 3.3Å; D78-R81 IonicContact OD1-CZ 3.47Å; D78-R81 IonicContact OD1-NH1 3.77Å; D78-R81 PolarHBondContact OD1-NH1 3.46Å; D78-R81 IonicContact OD1-NH2 2.74Å; R81-A84 PolarHBondContact O-N 3.29Å; R81-L85 PolarHBondContact O-N 3.5Å; R81-L85 VanDerWaalsContact O-N 3.11Å |
| 82 | Q | 98.6 | Very high | 98.3 | Very high | 118 Ų | 118 | 95.4 Ų | 95.4 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 177.4 | -70.7 | 177.5 | 18.4 | 0 | 0 | 111.8 | D78 L79 A84 L85 L86 | D78-Q82 WeakPolarHBondContact O-CG 3.26Å; D78-Q82 PolarHBondContact O-N 2.97Å; L79-Q82 PolarHBondContact O-N 2.74Å; Q82-A84 VanDerWaalsContact C-N 3.35Å; Q82-A84 PolarHBondContact O-N 3.18Å; Q82-L85 PolarHBondContact O-N 3.35Å; Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 2.95Å |
| 83 | N | 98.3 | Very high | 98.1 | Very high | 87 Ų | 87 | 97.2 Ų | 97.2 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.9 | -81.3 | -55.5 | 0 | 0 | 0 | 111.7 | L79 K80 L85 L86 E87 | L79-N83 WeakPolarHBondContact O-CB 3.47Å; L79-N83 PolarHBondContact O-N 2.92Å; L79-N83 PolarHBondContact O-ND2 3.27Å; K80-N83 PolarHBondContact O-N 3.07Å; N83-L85 VanDerWaalsContact C-N 3.31Å; N83-L85 PolarHBondContact O-N 3.46Å; N83-L86 PolarHBondContact O-N 2.97Å; N83-E87 WeakPolarHBondContact O-CB 3.45Å; N83-E87 VanDerWaalsContact O-CG 3.3Å; N83-E87 WeakPolarHBondContact O-CG 3.33Å; N83-E87 PolarHBondContact O-N 3.46Å |
| 84 | A | 98.4 | Very high | 98 | Very high | 55 Ų | 55 | 98.6 Ų | 98.6 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K80 R81 Q82 Q88 | K80-A84 WeakPolarHBondContact O-CB 3.44Å; K80-A84 PolarHBondContact O-N 3.26Å; R81-A84 PolarHBondContact O-N 3.29Å; Q82-A84 VanDerWaalsContact C-N 3.35Å; Q82-A84 PolarHBondContact O-N 3.18Å; A84-Q88 WeakPolarHBondContact O-CB 3.34Å; A84-Q88 PolarHBondContact O-N 2.8Å |
| 85 | L | 98.3 | Very high | 97.8 | Very high | 91 Ų | 91 | 101.5 Ų | 101.5 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 176 | -178.8 | 66.1 | 0 | 0 | 0 | 111.7 | R81 Q82 N83 Q88 Q89 | R81-L85 PolarHBondContact O-N 3.5Å; R81-L85 VanDerWaalsContact O-N 3.11Å; Q82-L85 PolarHBondContact O-N 3.35Å; N83-L85 VanDerWaalsContact C-N 3.31Å; N83-L85 PolarHBondContact O-N 3.46Å; L85-Q88 WeakPolarHBondContact O-CB 3.41Å; L85-Q88 PolarHBondContact O-N 2.98Å; L85-Q89 WeakPolarHBondContact O-CG 3.45Å; L85-Q89 PolarHBondContact O-N 3.25Å |
| 86 | L | 98.3 | Very high | 97.5 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 178.3 | -72.8 | 172.5 | 0 | 0 | 0 | 111.7 | Q82 N83 Q88 Q89 V90 | Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 2.95Å; N83-L86 PolarHBondContact O-N 2.97Å; L86-Q88 VanDerWaalsContact C-N 3.26Å; L86-Q88 PolarHBondContact O-N 3.19Å; L86-Q89 PolarHBondContact O-N 3.07Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; L86-V90 WeakPolarHBondContact O-CG2 3.49Å; L86-V90 PolarHBondContact O-N 2.95Å |
| 87 | E | 98.2 | Very high | 97.2 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 174.5 | -75.4 | 178.2 | -165.3 | 0 | 0 | 112 | N83 R91 | N83-E87 WeakPolarHBondContact O-CB 3.45Å; N83-E87 VanDerWaalsContact O-CG 3.3Å; N83-E87 WeakPolarHBondContact O-CG 3.33Å; N83-E87 PolarHBondContact O-N 3.46Å; E87-R91 WeakPolarHBondContact O-CB 3.49Å; E87-R91 VanDerWaalsContact O-CG 3.25Å; E87-R91 WeakPolarHBondContact O-CG 3.46Å; E87-R91 PolarHBondContact O-N 2.91Å; E87-R91 VanDerWaalsContact O-N 3.09Å; E87-R91 PolarHBondContact O-NE 3.38Å; E87-R91 IonicContact OE2-NH2 2.92Å; E87-R91 PolarHBondContact OE2-NH2 3.09Å |
| 88 | Q | 97.9 | Very high | 96.8 | Very high | 131 Ų | 131 | 104.7 Ų | 104.7 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 174.3 | -174.3 | -176.9 | 12.4 | 0 | 0 | 111.4 | A84 L85 L86 R91 A92 | A84-Q88 WeakPolarHBondContact O-CB 3.34Å; A84-Q88 PolarHBondContact O-N 2.8Å; L85-Q88 WeakPolarHBondContact O-CB 3.41Å; L85-Q88 PolarHBondContact O-N 2.98Å; L86-Q88 VanDerWaalsContact C-N 3.26Å; L86-Q88 PolarHBondContact O-N 3.19Å; Q88-R91 PolarHBondContact O-N 3.47Å; Q88-A92 WeakPolarHBondContact O-CB 3.45Å; Q88-A92 PolarHBondContact O-N 2.91Å |
| 89 | Q | 97.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 104.2 Ų | 104.2 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 177.8 | -71.3 | 177.5 | 25.2 | 0 | 0 | 112 | L85 L86 A92 L93 | L85-Q89 WeakPolarHBondContact O-CG 3.45Å; L85-Q89 PolarHBondContact O-N 3.25Å; L86-Q89 PolarHBondContact O-N 3.07Å; L86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-A92 PolarHBondContact O-N 3.37Å; Q89-L93 WeakPolarHBondContact O-CG 3.47Å; Q89-L93 PolarHBondContact O-N 2.88Å |
| 90 | V | 97.8 | Very high | 95.3 | Very high | 73 Ų | 73 | 102.3 Ų | 102.3 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.4 | -50 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | L86 A92 L93 E94 | L86-V90 WeakPolarHBondContact O-CG2 3.49Å; L86-V90 PolarHBondContact O-N 2.95Å; V90-A92 VanDerWaalsContact C-N 3.3Å; V90-A92 PolarHBondContact O-N 2.88Å; V90-L93 PolarHBondContact O-N 3.29Å; V90-L93 VanDerWaalsContact O-N 3.17Å; V90-E94 HydrophobicContact CG1-CG 4.32Å; V90-E94 WeakPolarHBondContact CG1-OE1 3.3Å; V90-E94 WeakPolarHBondContact O-CG 3.44Å; V90-E94 PolarHBondContact O-N 3.06Å |
| 91 | R | 97 | Very high | 94.3 | Very high | 154 Ų | 154 | 101.1 Ų | 101.1 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.3 | -40 | 176.8 | -75.6 | -178.2 | -114.7 | -148.9 | -2.7 | 113 | E87 Q88 K95 | E87-R91 WeakPolarHBondContact O-CB 3.49Å; E87-R91 VanDerWaalsContact O-CG 3.25Å; E87-R91 WeakPolarHBondContact O-CG 3.46Å; E87-R91 PolarHBondContact O-N 2.91Å; E87-R91 VanDerWaalsContact O-N 3.09Å; E87-R91 PolarHBondContact O-NE 3.38Å; E87-R91 IonicContact OE2-NH2 2.92Å; E87-R91 PolarHBondContact OE2-NH2 3.09Å; Q88-R91 PolarHBondContact O-N 3.47Å; R91-K95 WeakPolarHBondContact O-CB 3.33Å; R91-K95 PolarHBondContact O-N 2.91Å; R91-K95 VanDerWaalsContact O-N 3.11Å |
| 92 | A | 96.2 | Very high | 92.8 | Very high | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q88 Q89 V90 K95 A96 | Q88-A92 WeakPolarHBondContact O-CB 3.45Å; Q88-A92 PolarHBondContact O-N 2.91Å; Q89-A92 PolarHBondContact O-N 3.37Å; V90-A92 VanDerWaalsContact C-N 3.3Å; V90-A92 PolarHBondContact O-N 2.88Å; A92-K95 PolarHBondContact O-N 3.5Å; A92-A96 PolarHBondContact O-N 2.92Å |
| 93 | L | 96.1 | Very high | 91.2 | Very high | 121 Ų | 121 | 100.4 Ų | 100.4 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 177.4 | -71.7 | 171.1 | 0 | 0 | 0 | 112.2 | Q89 V90 K95 A96 R97 | Q89-L93 WeakPolarHBondContact O-CG 3.47Å; Q89-L93 PolarHBondContact O-N 2.88Å; V90-L93 PolarHBondContact O-N 3.29Å; V90-L93 VanDerWaalsContact O-N 3.17Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.39Å; L93-A96 PolarHBondContact O-N 2.96Å; L93-R97 WeakPolarHBondContact O-CB 3.45Å; L93-R97 PolarHBondContact O-N 3.35Å |
| 94 | E | 95.7 | Very high | 89.5 | Confident | 118 Ų | 118 | 101.3 Ų | 101.3 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 173.9 | -72.7 | 172 | 167.2 | 0 | 0 | 111.5 | V90 R97 S98 | V90-E94 HydrophobicContact CG1-CG 4.32Å; V90-E94 WeakPolarHBondContact CG1-OE1 3.3Å; V90-E94 WeakPolarHBondContact O-CG 3.44Å; V90-E94 PolarHBondContact O-N 3.06Å; E94-R97 PolarHBondContact O-N 3.43Å; E94-S98 WeakPolarHBondContact O-CB 3.43Å; E94-S98 PolarHBondContact O-N 3.37Å; E94-S98 PolarHBondContact O-OG 3.37Å |
| 95 | K | 94.5 | Very high | 87.7 | Confident | 152 Ų | 152 | 104.8 Ų | 104.8 | 66% | 0.661 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 174.6 | -172.8 | 178.1 | 178.5 | -178.5 | 0 | 112.7 | R91 A92 L93 S98 S99 | R91-K95 WeakPolarHBondContact O-CB 3.33Å; R91-K95 PolarHBondContact O-N 2.91Å; R91-K95 VanDerWaalsContact O-N 3.11Å; A92-K95 PolarHBondContact O-N 3.5Å; L93-K95 VanDerWaalsContact C-N 3.32Å; L93-K95 PolarHBondContact O-N 3.39Å; K95-S98 WeakPolarHBondContact CA-OG 3.43Å; K95-S98 PolarHBondContact O-OG 3.07Å; K95-S99 WeakPolarHBondContact O-CB 3.49Å; K95-S99 PolarHBondContact O-N 2.94Å; K95-S99 PolarHBondContact O-OG 3.09Å |
| 96 | A | 93.1 | Very high | 85.5 | Confident | 59 Ų | 59 | 109.2 Ų | 109.2 | 49% | 0.488 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A92 L93 S99 A100 | A92-A96 PolarHBondContact O-N 2.92Å; L93-A96 PolarHBondContact O-N 2.96Å; A96-S99 PolarHBondContact O-N 3.33Å; A96-A100 PolarHBondContact O-N 2.99Å |
| 97 | R | 92.9 | Very high | 83.4 | Confident | 177 Ų | 177 | 110.2 Ų | 110.2 | 67% | 0.668 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.7 | -45.1 | 177.9 | -175.7 | 177.4 | 174.5 | 158.5 | -0.6 | 112.2 | L93 E94 S99 A100 Q101 | L93-R97 WeakPolarHBondContact O-CB 3.45Å; L93-R97 PolarHBondContact O-N 3.35Å; E94-R97 PolarHBondContact O-N 3.43Å; R97-S99 VanDerWaalsContact C-N 3.33Å; R97-S99 PolarHBondContact O-N 3.28Å; R97-A100 PolarHBondContact O-N 3.24Å; R97-Q101 WeakPolarHBondContact O-CG 3.44Å; R97-Q101 PolarHBondContact O-N 3.03Å |
| 98 | S | 88.7 | Confident | 81.2 | Confident | 53 Ų | 53 | 110.9 Ų | 110.9 | 37% | 0.371 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.5 | -37.7 | 175.6 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | E94 K95 Q101 L102 | E94-S98 WeakPolarHBondContact O-CB 3.43Å; E94-S98 PolarHBondContact O-N 3.37Å; E94-S98 PolarHBondContact O-OG 3.37Å; K95-S98 WeakPolarHBondContact CA-OG 3.43Å; K95-S98 PolarHBondContact O-OG 3.07Å; S98-Q101 PolarHBondContact O-N 3Å; S98-L102 WeakPolarHBondContact O-CG 3.31Å; S98-L102 PolarHBondContact O-N 2.91Å; S98-L102 VanDerWaalsContact O-N 3.08Å |
| 99 | S | 85.7 | Confident | 79.2 | Confident | 57 Ų | 57 | 110.1 Ų | 110.1 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.1 | -40.3 | 174.3 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | K95 A96 R97 L102 Q103 | K95-S99 WeakPolarHBondContact O-CB 3.49Å; K95-S99 PolarHBondContact O-N 2.94Å; K95-S99 PolarHBondContact O-OG 3.09Å; A96-S99 PolarHBondContact O-N 3.33Å; R97-S99 VanDerWaalsContact C-N 3.33Å; R97-S99 PolarHBondContact O-N 3.28Å; S99-L102 PolarHBondContact O-N 3.42Å; S99-Q103 PolarHBondContact O-N 2.98Å |
| 100 | A | 81.2 | Confident | 77.2 | Confident | 55 Ų | 55 | 111.8 Ų | 111.8 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.8 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A96 R97 Q103 T104 | A96-A100 PolarHBondContact O-N 2.99Å; R97-A100 PolarHBondContact O-N 3.24Å; A100-Q103 PolarHBondContact O-N 2.92Å; A100-T104 PolarHBondContact O-N 3.43Å; A100-T104 VanDerWaalsContact O-N 3.17Å |
| 101 | Q | 77.7 | Confident | 75.1 | Confident | 103 Ų | 103 | 114.8 Ų | 114.8 | 48% | 0.481 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67 | -36.3 | 173.7 | -73.3 | 174.7 | -38.7 | 0 | 0 | 112.1 | R97 S98 Q103 T104 N105 | R97-Q101 WeakPolarHBondContact O-CG 3.44Å; R97-Q101 PolarHBondContact O-N 3.03Å; S98-Q101 PolarHBondContact O-N 3Å; Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 2.78Å; Q101-T104 WeakPolarHBondContact O-CG2 3.5Å; Q101-T104 PolarHBondContact O-N 3.16Å; Q101-N105 PolarHBondContact O-N 3.41Å; Q101-N105 PolarHBondContact O-OD1 2.79Å |
| 102 | L | 67.4 | Low | 73.2 | Confident | 113 Ų | 113 | 110.1 Ų | 110.1 | 59% | 0.592 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.6 | -34.9 | 173.1 | -71.3 | 168 | 0 | 0 | 0 | 112.1 | S98 S99 Y106 | S98-L102 WeakPolarHBondContact O-CG 3.31Å; S98-L102 PolarHBondContact O-N 2.91Å; S98-L102 VanDerWaalsContact O-N 3.08Å; S99-L102 PolarHBondContact O-N 3.42Å; L102-Y106 WeakPolarHBondContact O-CD2 3.41Å |
| 103 | Q | 64.6 | Low | 71.4 | Confident | 160 Ų | 160 | 112.6 Ų | 112.6 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.3 | -33.5 | 176 | -72.4 | -177.2 | -14 | 0 | 0 | 113.2 | S99 A100 Q101 | S99-Q103 PolarHBondContact O-N 2.98Å; A100-Q103 PolarHBondContact O-N 2.92Å; Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 2.78Å |
| 104 | T | 62.4 | Low | 69.8 | Low | 107 Ų | 107 | 114.2 Ų | 114.2 | 66% | 0.656 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78.6 | -20 | 178.7 | -160.8 | 0 | 0 | 0 | 0 | 113.8 | A100 Q101 | A100-T104 PolarHBondContact O-N 3.43Å; A100-T104 VanDerWaalsContact O-N 3.17Å; Q101-T104 WeakPolarHBondContact O-CG2 3.5Å; Q101-T104 PolarHBondContact O-N 3.16Å |
| 105 | N | 60 | Low | 68.5 | Low | 128 Ų | 128 | 112.8 Ų | 112.8 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -4.9 | -178.5 | -85.5 | 64.3 | 0 | 0 | 0 | 114.2 | Q101 P107 | Q101-N105 PolarHBondContact O-N 3.41Å; Q101-N105 PolarHBondContact O-OD1 2.79Å; N105-P107 VanDerWaalsContact O-CD 3.3Å; N105-P107 WeakPolarHBondContact O-CD 3.38Å |
| 106 | Y | 52.3 | Low | 67.1 | Low | 183 Ų | 183 | 108.8 Ų | 108.8 | 72% | 0.718 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -97.6 | 100.8 | 161.6 | -77.5 | -83.2 | 0 | 0 | 0 | 107.9 | L102 S108 | L102-Y106 WeakPolarHBondContact O-CD2 3.41Å; Y106-S108 PolarHBondContact O-N 3.29Å |
| 107 | P | 54 | Low | 66.2 | Low | 115 Ų | 115 | 111.5 Ų | 111.5 | 75% | 0.747 | 62% | 0.619 | S | S | * | * | trans | -57.5 | 113.5 | 163.3 | 24.2 | -29.5 | 0 | 0 | 0 | 106 | N105 S109 | N105-P107 VanDerWaalsContact O-CD 3.3Å; N105-P107 WeakPolarHBondContact O-CD 3.38Å; P107-S109 PolarHBondContact O-N 3.28Å | ||
| 108 | S | 53.2 | Low | 65.3 | Low | 114 Ų | 114 | 112.6 Ų | 112.6 | 80% | 0.797 | 63% | 0.628 | S | S | * | * | trans | -46.2 | 111.4 | 165.7 | -91.7 | 0 | 0 | 0 | 0 | 106.2 | Y106 D110 | Y106-S108 PolarHBondContact O-N 3.29Å; S108-D110 PolarHBondContact O-N 3.03Å | ||
| 109 | S | 55.5 | Low | 64.3 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -67.1 | 69.4 | 161.3 | 56.6 | 0 | 0 | 0 | 0 | 106.4 | P107 N111 | P107-S109 PolarHBondContact O-N 3.28Å; S109-N111 PolarHBondContact O-N 3.2Å | ||
| 110 | D | 54.2 | Low | 63.6 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -70.4 | 81.6 | 159.6 | -164.8 | 8.4 | 0 | 0 | 0 | 104.6 | S108 S112 | S108-D110 PolarHBondContact O-N 3.03Å; D110-S112 PolarHBondContact O-N 3.27Å | ||
| 111 | N | 55.2 | Low | 62.9 | Low | 135 Ų | 135 | 114.7 Ų | 114.7 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | trans | -70.2 | 70.8 | 167.9 | -163.8 | 51.1 | 0 | 0 | 0 | 106.2 | S109 L113 | S109-N111 PolarHBondContact O-N 3.2Å; N111-L113 VanDerWaalsContact C-N 3.25Å; N111-L113 PolarHBondContact O-N 2.59Å | ||
| 112 | S | 56.9 | Low | 62.2 | Low | 57 Ų | 57 | 114.5 Ų | 114.5 | 40% | 0.399 | 65% | 0.647 | S | S | . | * | trans | -67.1 | 90.3 | 174.6 | -164.3 | 0 | 0 | 0 | 0 | 106.7 | D110 Y114 | D110-S112 PolarHBondContact O-N 3.27Å; S112-Y114 WeakPolarHBondContact O-CD2 3.34Å; S112-Y114 PolarHBondContact O-N 3.04Å | ||
| 113 | L | 58.3 | Low | 62 | Low | 110 Ų | 110 | 115 Ų | 115 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | trans | -62 | 91.9 | 163.3 | -80.2 | 161.1 | 0 | 0 | 0 | 106.5 | N111 T115 T121 | N111-L113 VanDerWaalsContact C-N 3.25Å; N111-L113 PolarHBondContact O-N 2.59Å; L113-T115 PolarHBondContact O-N 2.88Å; L113-T121 HydrophobicContact CD2-CG2 3.81Å | ||
| 114 | Y | 61.8 | Low | 62 | Low | 156 Ų | 156 | 111.2 Ų | 111.2 | 61% | 0.612 | 66% | 0.656 | S | S | * | * | trans | -58 | 115.2 | 166.3 | -69.9 | -78.5 | 0 | 0 | 0 | 107.1 | S112 I122 | S112-Y114 WeakPolarHBondContact O-CD2 3.34Å; S112-Y114 PolarHBondContact O-N 3.04Å; Y114-I122 WeakPolarHBondContact O-CG1 3.31Å; Y114-I122 PolarHBondContact O-N 2.72Å | ||
| 115 | T | 67.9 | Low | 62 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 53% | 0.534 | 67% | 0.665 | S | S | . | * | B | Isolated β-bridge | trans | -103 | 132.5 | 170.7 | 52.2 | 0 | 0 | 0 | 0 | 107.2 | L113 T121 | L113-T115 PolarHBondContact O-N 2.88Å; T115-T121 HydrophobicContact CG2-CG2 4.44Å |
| 116 | N | 65.8 | Low | 61.8 | Low | 68 Ų | 68 | 117.2 Ų | 117.2 | 36% | 0.364 | 68% | 0.675 | S | S | . | * | trans | -71.8 | 166.9 | 168.1 | 50.6 | 27.9 | 0 | 0 | 0 | 109.5 | K118 G119 S120 | N116-K118 PolarHBondContact O-N 3.23Å; N116-G119 PolarHBondContact O-N 2.95Å; N116-S120 PolarHBondContact N-O 3.27Å; N116-S120 WeakPolarHBondContact OD1-CB 3.19Å; N116-S120 PolarHBondContact OD1-N 3.36Å; N116-S120 PolarHBondContact OD1-O 2.92Å | ||
| 117 | A | 74.9 | Confident | 62.4 | Low | 117 Ų | 117 | 111.6 Ų | 111.6 | 97% | 0.967 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -5 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 118 | K | 74 | Confident | 62.2 | Low | 199 Ų | 199 | 109.3 Ų | 109.3 | 87% | 0.865 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 9.3 | 173.4 | -63.9 | -163.3 | 176.8 | -178.2 | 0 | 114 | N116 S120 | N116-K118 PolarHBondContact O-N 3.23Å; K118-S120 VanDerWaalsContact C-N 3.3Å; K118-S120 PolarHBondContact O-N 3.18Å |
| 119 | G | 66.1 | Low | 62.5 | Low | 59 Ų | 59 | 110 Ų | 110 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 72.1 | 15.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N116 | N116-G119 PolarHBondContact O-N 2.95Š|
| 120 | S | 71.3 | Confident | 62.2 | Low | 69 Ų | 69 | 111.3 Ų | 111.3 | 48% | 0.483 | 67% | 0.673 | S | S | . | * | trans | -96.2 | 131.3 | 179.2 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | N116 K118 I122 | N116-S120 PolarHBondContact N-O 3.27Å; N116-S120 WeakPolarHBondContact OD1-CB 3.19Å; N116-S120 PolarHBondContact OD1-N 3.36Å; N116-S120 PolarHBondContact OD1-O 2.92Å; K118-S120 VanDerWaalsContact C-N 3.3Å; K118-S120 PolarHBondContact O-N 3.18Å; S120-I122 PolarHBondContact O-N 3.42Å | ||
| 121 | T | 66.3 | Low | 62.8 | Low | 81 Ų | 81 | 111 Ų | 111 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | B | Isolated β-bridge | trans | -70.7 | 122.2 | 179.1 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | L113 T115 | L113-T121 HydrophobicContact CD2-CG2 3.81Å; T115-T121 HydrophobicContact CG2-CG2 4.44Å |
| 122 | I | 63.1 | Low | 62.6 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 51% | 0.513 | 68% | 0.681 | S | S | . | * | trans | -102.4 | 113.2 | 174.5 | 32.7 | 170.9 | 0 | 0 | 0 | 109.4 | Y114 S120 A124 | Y114-I122 WeakPolarHBondContact O-CG1 3.31Å; Y114-I122 PolarHBondContact O-N 2.72Å; S120-I122 PolarHBondContact O-N 3.42Å; I122-A124 PolarHBondContact O-N 3.47Å | ||
| 123 | S | 64.9 | Low | 62.6 | Low | 123 Ų | 123 | 112.5 Ų | 112.5 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.8 | 173.2 | -36.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 124 | A | 64.1 | Low | 62.3 | Low | 81 Ų | 81 | 115.8 Ų | 115.8 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 135.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | I122 | I122-A124 PolarHBondContact O-N 3.47Š|
| 125 | F | 61.5 | Low | 62.2 | Low | 192 Ų | 192 | 114.5 Ų | 114.5 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -47 | 133.3 | 178.1 | 51.8 | 92.3 | 0 | 0 | 0 | 113.4 | ||
| 126 | D | 56 | Low | 62 | Low | 168 Ų | 168 | 119.3 Ų | 119.3 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | -76.6 | 113.6 | 172.2 | -179.8 | 29.7 | 0 | 0 | 0 | 109.2 | ||||
| 127 | G | 64.2 | Low | 61.2 | Low | 66 Ų | 66 | 121.1 Ų | 121.1 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -132 | 98.4 | -178 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 128 | G | 50.2 | Low | 60.3 | Low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -69.7 | 158.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 129 | S | 59.6 | Low | 59.5 | Low | 129 Ų | 129 | 123.1 Ų | 123.1 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -159.8 | 121.9 | 145.1 | -76.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 130 | D | 50.5 | Low | 59.2 | Low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -68.7 | 136.8 | 168.6 | 168.3 | 16.2 | 0 | 0 | 0 | 110.2 | S132 | D130-S132 PolarHBondContact OD1-OG 3.09Š| ||
| 131 | S | 65.1 | Low | 58.6 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -154.5 | 104.8 | 158.5 | -162.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 132 | S | 51.4 | Low | 57.8 | Low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -96.3 | 137.1 | 172.5 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | D130 | D130-S132 PolarHBondContact OD1-OG 3.09Š| ||
| 133 | S | 58 | Low | 57.7 | Low | 123 Ų | 123 | 138.5 Ų | 138.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 178.2 | 141.6 | 134.7 | -165.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 134 | E | 52.1 | Low | 57.6 | Low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -69.1 | 155.5 | -172.8 | -51.8 | 175.7 | 95 | 0 | 0 | 116 | ||||
| 135 | S | 60 | Low | 57 | Low | 130 Ų | 130 | 148.1 Ų | 148.1 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | -173.8 | 142.7 | 119.7 | 9.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 136 | E | 63 | Low | 56.8 | Low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 172.3 | -170.1 | -80.6 | -88.5 | 104.9 | 0 | 0 | 117.7 | ||||
| 137 | P | 48.8 | Very low | 56.9 | Low | 105 Ų | 105 | 148.6 Ų | 148.6 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -97 | 156 | -170.4 | 37.8 | -31 | 0 | 0 | 0 | 114.5 | ||||
| 138 | E | 57 | Low | 56.7 | Low | 194 Ų | 194 | 152.8 Ų | 152.8 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | -132 | 121.6 | 173.2 | -91.6 | -85.2 | 133.3 | 0 | 0 | 111.2 | ||||
| 139 | E | 56 | Low | 57 | Low | 164 Ų | 164 | 155.7 Ų | 155.7 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | trans | -100.9 | 148.1 | 169.8 | -175 | -167.2 | -179.6 | 0 | 0 | 108.9 | ||||
| 140 | P | 60.3 | Low | 56.6 | Low | 118 Ų | 118 | 153.8 Ų | 153.8 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -128 | 104.7 | 150.9 | 31.5 | -16.7 | 0 | 0 | 0 | 113.4 | ||||
| 141 | Q | 58.1 | Low | 57.3 | Low | 157 Ų | 157 | 156.1 Ų | 156.1 | 73% | 0.734 | 83% | 0.832 | S | S | * | * | 39.2 | 102.9 | 115.9 | -61.5 | -175.4 | -14.2 | 0 | 0 | 118.9 | |||||
| 142 | S | 49.2 | Very low | 56.9 | Low | 112 Ų | 112 | 157.7 Ų | 157.7 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | 19.6 | 122 | 129.8 | 57.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 143 | R | 62.5 | Low | 57.2 | Low | 246 Ų | 246 | 160.7 Ų | 160.7 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | trans | -125.8 | 96.1 | 156.9 | -88.7 | -173.6 | 154.5 | -164.7 | -5.2 | 112.7 | ||||
| 144 | K | 61.9 | Low | 57.1 | Low | 203 Ų | 203 | 162.8 Ų | 162.8 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | 39 | 115.8 | 132.5 | -61.5 | -178.5 | 178.2 | 179.6 | 0 | 119.7 | ||||
| 145 | K | 52.6 | Low | 57.4 | Low | 202 Ų | 202 | 161.9 Ų | 161.9 | 88% | 0.878 | 84% | 0.835 | S | S | * | * | trans | -117.6 | 157.2 | 147.1 | -84.9 | -174.9 | 176.5 | 178.9 | 0 | 109.2 | ||||
| 146 | L | 56 | Low | 57.3 | Low | 167 Ų | 167 | 163.9 Ų | 163.9 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | 97.2 | 133.2 | -172.3 | -87.9 | 84.1 | 0 | 0 | 0 | 112.5 | ||||
| 147 | R | 57.7 | Low | 56.9 | Low | 204 Ų | 204 | 162.3 Ų | 162.3 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | cis | -175.7 | 177.3 | 28.5 | 139.8 | 174.9 | -175.9 | 179 | 3.4 | 109.7 | ||||
| 148 | M | 60.5 | Low | 57.5 | Low | 153 Ų | 153 | 166.4 Ų | 166.4 | 75% | 0.754 | 84% | 0.837 | S | S | * | * | trans | 98.3 | 130.2 | 163.4 | -68.8 | -163 | 95.1 | 0 | 0 | 115.5 | ||||
| 149 | E | 56.1 | Low | 57.5 | Low | 127 Ų | 127 | 164.2 Ų | 164.2 | 59% | 0.593 | 83% | 0.832 | S | S | * | * | cis | -160.8 | 155.5 | -4.8 | -89.2 | -63.5 | 110.2 | 0 | 0 | 105.7 | ||||
| 150 | A | 51.8 | Low | 57.6 | Low | 89 Ų | 89 | 164.3 Ų | 164.3 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | -102.5 | 134.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 151 | S | 65 | Low | 57.4 | Low | 193 Ų | 193 | 168.5 Ų | 168.5 | 100% | 1.35 | 84% | 0.844 | S | S | * | * | trans | -147.9 | 0 | 153.5 | -74.1 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 151 of 151 residues in 115.3 ms
(Link to these results)