| 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 | 45.2 | Very low | 50.6 | Low | 252 Ų | 252 | 131.2 Ų | 131.2 | 100% | 1.241 | 82% | 0.816 | S | S | * | * | 0 | 102.5 | 0 | -72 | -171.9 | -177.5 | 0 | 0 | 107.6 | |||||
| 2 | A | 47 | Very low | 51.2 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | trans | -138.8 | 86.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | G | 50.9 | Low | 51.9 | Low | 83 Ų | 83 | 124.2 Ų | 124.2 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -142.5 | 121.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 4 | G | 44.1 | Very low | 52.8 | Low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 114.6 | 75.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 5 | Y | 51.6 | Low | 53.9 | Low | 203 Ų | 203 | 122.7 Ų | 122.7 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | -156.5 | 106.4 | 117.5 | 55.8 | -80.7 | 0 | 0 | 0 | 106.5 | V7 | Y5-V7 HydrophobicContact CD2-CG2 4.13Å; Y5-V7 HydrophobicContact CE2-CG2 4.06Å; Y5-V7 PolarHBondContact O-N 3.21Å | |||
| 6 | G | 52.3 | Low | 54.9 | Low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -56.2 | 113.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | M8 | G6-M8 PolarHBondContact O-N 3.35Š| ||
| 7 | V | 56.6 | Low | 56.2 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | -60.9 | 81.6 | 162.2 | 172.6 | 0 | 0 | 0 | 0 | 105.6 | Y5 G9 | Y5-V7 HydrophobicContact CD2-CG2 4.13Å; Y5-V7 HydrophobicContact CE2-CG2 4.06Å; Y5-V7 PolarHBondContact O-N 3.21Å; V7-G9 PolarHBondContact O-N 3.15Å | ||
| 8 | M | 51.6 | Low | 57.3 | Low | 199 Ų | 199 | 121.6 Ų | 121.6 | 98% | 0.98 | 74% | 0.744 | S | S | * | * | trans | -79.6 | 60.8 | 166.6 | -73.7 | 176.3 | 162.2 | 0 | 0 | 107.4 | G6 | G6-M8 PolarHBondContact O-N 3.35Š| ||
| 9 | G | 49.3 | Very low | 58.2 | Low | 40 Ų | 40 | 121.9 Ų | 121.9 | 41% | 0.412 | 74% | 0.736 | S | S | . | * | trans | -152.7 | 40.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V7 D11 | V7-G9 PolarHBondContact O-N 3.15Å; G9-D11 PolarHBondContact O-N 3.35Å; G9-D11 VanDerWaalsContact O-OD1 3.08Å | ||
| 10 | D | 55.2 | Low | 59.2 | Low | 154 Ų | 154 | 121.5 Ų | 121.5 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -82.9 | 80.8 | 154.6 | -170.7 | 39.8 | 0 | 0 | 0 | 106.5 | G12 | D10-G12 PolarHBondContact O-N 2.86Š| ||
| 11 | D | 52.4 | Low | 60.3 | Low | 139 Ų | 139 | 118.4 Ų | 118.4 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -73.6 | 109.1 | 174.7 | 48 | -17.8 | 0 | 0 | 0 | 110.1 | G9 | G9-D11 PolarHBondContact O-N 3.35Å; G9-D11 VanDerWaalsContact O-OD1 3.08Å | ||
| 12 | G | 58.7 | Low | 62.4 | Low | 72 Ų | 72 | 115.3 Ų | 115.3 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | S | Bend | 92.6 | 23.6 | 126.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | D10 | D10-G12 PolarHBondContact O-N 2.86Š| |
| 13 | S | 60.4 | Low | 64.2 | Low | 100 Ų | 100 | 113.6 Ų | 113.6 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | -121.1 | 61.6 | 158.2 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | D15 | S13-D15 PolarHBondContact O-N 3.33Š| ||
| 14 | I | 64 | Low | 65.7 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 59% | 0.59 | 65% | 0.651 | S | S | * | * | trans | -52.3 | 117 | 163 | -65.7 | 164.5 | 0 | 0 | 0 | 105.9 | Y16 | I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 HydrophobicContact CB-CE2 4.18Å; I14-Y16 WeakPolarHBondContact O-CD2 3.07Å; I14-Y16 WeakPolarHBondContact O-CE2 3.38Å; I14-Y16 PolarHBondContact O-N 3.07Å | ||
| 15 | D | 69 | Low | 67.8 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | trans | -66.5 | 93.7 | -176.7 | -174.2 | 6.8 | 0 | 0 | 0 | 109.5 | S13 T17 | S13-D15 PolarHBondContact O-N 3.33Å; D15-T17 PolarHBondContact O-N 3.38Å; D15-T17 WeakPolarHBondContact OD1-CB 3.34Å; D15-T17 PolarHBondContact OD1-N 2.7Å; D15-T17 PolarHBondContact OD1-OG1 3.48Å | ||
| 16 | Y | 70.7 | Confident | 69.5 | Low | 152 Ų | 152 | 107.3 Ų | 107.3 | 60% | 0.596 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -5.6 | -179.7 | -71.3 | -78.9 | 0 | 0 | 0 | 112.7 | I14 V18 H19 E20 | I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 HydrophobicContact CB-CE2 4.18Å; I14-Y16 WeakPolarHBondContact O-CD2 3.07Å; I14-Y16 WeakPolarHBondContact O-CE2 3.38Å; I14-Y16 PolarHBondContact O-N 3.07Å; Y16-V18 VanDerWaalsContact C-N 3.32Å; Y16-V18 PolarHBondContact O-N 3.47Å; Y16-H19 WeakPolarHBondContact O-CB 3.33Å; Y16-H19 PolarHBondContact O-N 3.42Å; Y16-H19 VanDerWaalsContact O-N 3.1Å; Y16-E20 PolarHBondContact O-N 3.49Å |
| 17 | T | 75.7 | Confident | 71.4 | Confident | 96 Ų | 96 | 107 Ų | 107 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.5 | -40.4 | -176.9 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | D15 E20 A21 | D15-T17 PolarHBondContact O-N 3.38Å; D15-T17 WeakPolarHBondContact OD1-CB 3.34Å; D15-T17 PolarHBondContact OD1-N 2.7Å; D15-T17 PolarHBondContact OD1-OG1 3.48Å; T17-E20 PolarHBondContact O-N 3.43Å; T17-A21 PolarHBondContact O-N 2.8Å |
| 18 | V | 76.1 | Confident | 73.1 | Confident | 100 Ų | 100 | 105.6 Ų | 105.6 | 61% | 0.606 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -40.9 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | Y16 E20 A21 W22 | Y16-V18 VanDerWaalsContact C-N 3.32Å; Y16-V18 PolarHBondContact O-N 3.47Å; V18-E20 VanDerWaalsContact C-N 3.35Å; V18-A21 PolarHBondContact O-N 3.35Å; V18-W22 WeakPolarHBondContact O-CB 3.49Å; V18-W22 PolarHBondContact O-N 2.86Å |
| 19 | H | 75.8 | Confident | 75 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -37.7 | 176.5 | -76.7 | -67.8 | 0 | 0 | 0 | 112 | Y16 W22 N23 | Y16-H19 WeakPolarHBondContact O-CB 3.33Å; Y16-H19 PolarHBondContact O-N 3.42Å; Y16-H19 VanDerWaalsContact O-N 3.1Å; H19-W22 PolarHBondContact O-N 3.27Å; H19-N23 WeakPolarHBondContact O-CB 3.15Å; H19-N23 PolarHBondContact O-N 2.96Å |
| 20 | E | 78.5 | Confident | 77.2 | Confident | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -48.2 | 175.7 | -161.6 | 63.4 | -134.6 | 0 | 0 | 110.6 | Y16 T17 V18 W22 N23 E24 | Y16-E20 PolarHBondContact O-N 3.49Å; T17-E20 PolarHBondContact O-N 3.43Å; V18-E20 VanDerWaalsContact C-N 3.35Å; E20-W22 VanDerWaalsContact C-N 3.29Å; E20-W22 PolarHBondContact O-N 3.38Å; E20-N23 PolarHBondContact O-N 2.77Å; E20-E24 VanDerWaalsContact O-CB 3.22Å; E20-E24 WeakPolarHBondContact O-CB 3.23Å; E20-E24 PolarHBondContact O-N 3.44Å |
| 21 | A | 81.8 | Confident | 79 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -35.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T17 V18 A25 | T17-A21 PolarHBondContact O-N 2.8Å; V18-A21 PolarHBondContact O-N 3.35Å; A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.35Å; A21-A25 PolarHBondContact O-N 2.98Å |
| 22 | W | 88.7 | Confident | 81 | Confident | 188 Ų | 188 | 101.2 Ų | 101.2 | 71% | 0.712 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.7 | -42.9 | 176.9 | -130.9 | 77.5 | 0 | 0 | 0 | 112.1 | V18 H19 E20 T26 | V18-W22 WeakPolarHBondContact O-CB 3.49Å; V18-W22 PolarHBondContact O-N 2.86Å; H19-W22 PolarHBondContact O-N 3.27Å; E20-W22 VanDerWaalsContact C-N 3.29Å; E20-W22 PolarHBondContact O-N 3.38Å; W22-T26 VanDerWaalsContact O-CB 3.31Å; W22-T26 WeakPolarHBondContact O-CB 2.79Å; W22-T26 PolarHBondContact O-N 2.87Å; W22-T26 PolarHBondContact O-OG1 3.14Å |
| 23 | N | 85.3 | Confident | 82.7 | Confident | 77 Ų | 77 | 102.5 Ų | 102.5 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 175.4 | -175.9 | 45.9 | 0 | 0 | 0 | 110.4 | H19 E20 T26 N27 | H19-N23 WeakPolarHBondContact O-CB 3.15Å; H19-N23 PolarHBondContact O-N 2.96Å; E20-N23 PolarHBondContact O-N 2.77Å; N23-T26 PolarHBondContact O-N 3.24Å; N23-N27 PolarHBondContact ND2-ND2 3.37Å; N23-N27 WeakPolarHBondContact O-CB 3.34Å; N23-N27 PolarHBondContact O-N 2.93Å; N23-N27 PolarHBondContact O-ND2 2.94Å; N23-N27 PolarHBondContact OD1-ND2 3.25Å; N23-N27 PolarHBondContact OD1-OD1 2.85Å |
| 24 | E | 81.8 | Confident | 84.3 | Confident | 129 Ų | 129 | 103.8 Ų | 103.8 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.5 | -50.2 | 176 | -172.7 | 178.2 | -179.6 | 0 | 0 | 110.9 | E20 T26 N27 V28 | E20-E24 VanDerWaalsContact O-CB 3.22Å; E20-E24 WeakPolarHBondContact O-CB 3.23Å; E20-E24 PolarHBondContact O-N 3.44Å; E24-T26 VanDerWaalsContact C-N 3.33Å; E24-T26 PolarHBondContact O-N 3.17Å; E24-N27 PolarHBondContact O-N 3.37Å; E24-V28 WeakPolarHBondContact O-CG2 3.17Å; E24-V28 PolarHBondContact O-N 2.9Å |
| 25 | A | 87.4 | Confident | 85.8 | Confident | 50 Ų | 50 | 102.8 Ų | 102.8 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A21 Y29 | A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.35Å; A21-A25 PolarHBondContact O-N 2.98Å; A25-Y29 WeakPolarHBondContact O-CD2 3.27Å; A25-Y29 WeakPolarHBondContact O-CE2 3.41Å |
| 26 | T | 88.4 | Confident | 86.9 | Confident | 52 Ų | 52 | 100.5 Ų | 100.5 | 32% | 0.319 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73 | -41 | -177.6 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | W22 N23 E24 V28 Y29 L30 | W22-T26 VanDerWaalsContact O-CB 3.31Å; W22-T26 WeakPolarHBondContact O-CB 2.79Å; W22-T26 PolarHBondContact O-N 2.87Å; W22-T26 PolarHBondContact O-OG1 3.14Å; N23-T26 PolarHBondContact O-N 3.24Å; E24-T26 VanDerWaalsContact C-N 3.33Å; E24-T26 PolarHBondContact O-N 3.17Å; T26-V28 VanDerWaalsContact C-N 3.3Å; T26-V28 PolarHBondContact O-N 2.92Å; T26-Y29 PolarHBondContact O-N 3.36Å; T26-Y29 VanDerWaalsContact O-N 3.08Å; T26-L30 HydrophobicContact CG2-CD1 4.07Å; T26-L30 HydrophobicContact CG2-CG 4.18Å; T26-L30 WeakPolarHBondContact O-CG 3.38Å; T26-L30 PolarHBondContact O-N 3.45Å |
| 27 | N | 92.2 | Very high | 88 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 33% | 0.326 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | -179.9 | -74.7 | -19 | 0 | 0 | 0 | 111.5 | N23 E24 Y29 L30 I31 | N23-N27 PolarHBondContact ND2-ND2 3.37Å; N23-N27 WeakPolarHBondContact O-CB 3.34Å; N23-N27 PolarHBondContact O-N 2.93Å; N23-N27 PolarHBondContact O-ND2 2.94Å; N23-N27 PolarHBondContact OD1-ND2 3.25Å; N23-N27 PolarHBondContact OD1-OD1 2.85Å; E24-N27 PolarHBondContact O-N 3.37Å; N27-Y29 VanDerWaalsContact C-N 3.32Å; N27-Y29 PolarHBondContact O-N 3.12Å; N27-L30 PolarHBondContact O-N 3.4Å; N27-I31 WeakPolarHBondContact O-CB 3.13Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.31Å; N27-I31 PolarHBondContact O-N 3.13Å |
| 28 | V | 91.7 | Very high | 88.7 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 174 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | E24 T26 I31 V32 | E24-V28 WeakPolarHBondContact O-CG2 3.17Å; E24-V28 PolarHBondContact O-N 2.9Å; T26-V28 VanDerWaalsContact C-N 3.3Å; T26-V28 PolarHBondContact O-N 2.92Å; V28-I31 PolarHBondContact O-N 2.83Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.42Å; V28-V32 PolarHBondContact O-N 2.88Å |
| 29 | Y | 91.9 | Very high | 89.3 | Confident | 161 Ų | 161 | 97.4 Ų | 97.4 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 176.9 | -64.5 | -60.4 | 0 | 0 | 0 | 112.6 | A25 T26 N27 I31 V32 I33 | A25-Y29 WeakPolarHBondContact O-CD2 3.27Å; A25-Y29 WeakPolarHBondContact O-CE2 3.41Å; T26-Y29 PolarHBondContact O-N 3.36Å; T26-Y29 VanDerWaalsContact O-N 3.08Å; N27-Y29 VanDerWaalsContact C-N 3.32Å; N27-Y29 PolarHBondContact O-N 3.12Å; Y29-I31 VanDerWaalsContact C-N 3.34Å; Y29-I31 PolarHBondContact O-N 3.45Å; Y29-V32 PolarHBondContact O-N 3.02Å; Y29-I33 WeakPolarHBondContact O-CB 3.35Å; Y29-I33 VanDerWaalsContact O-CG1 3.23Å; Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 2.99Å |
| 30 | L | 94.5 | Very high | 89.9 | Confident | 86 Ų | 86 | 97.1 Ų | 97.1 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.7 | -69.2 | 176.6 | 0 | 0 | 0 | 111.7 | T26 N27 I33 L34 | T26-L30 HydrophobicContact CG2-CD1 4.07Å; T26-L30 HydrophobicContact CG2-CG 4.18Å; T26-L30 WeakPolarHBondContact O-CG 3.38Å; T26-L30 PolarHBondContact O-N 3.45Å; N27-L30 PolarHBondContact O-N 3.4Å; L30-I33 PolarHBondContact O-N 3.49Å; L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.44Å |
| 31 | I | 94 | Very high | 90.2 | Very high | 104 Ų | 104 | 95.3 Ų | 95.3 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.9 | -69.6 | 166.3 | 0 | 0 | 0 | 110.3 | N27 V28 Y29 I33 L34 V35 | N27-I31 WeakPolarHBondContact O-CB 3.13Å; N27-I31 VanDerWaalsContact O-CG1 3.25Å; N27-I31 WeakPolarHBondContact O-CG1 3.31Å; N27-I31 PolarHBondContact O-N 3.13Å; V28-I31 PolarHBondContact O-N 2.83Å; Y29-I31 VanDerWaalsContact C-N 3.34Å; Y29-I31 PolarHBondContact O-N 3.45Å; I31-I33 VanDerWaalsContact C-N 3.3Å; I31-I33 PolarHBondContact O-N 2.86Å; I31-L34 PolarHBondContact O-N 2.89Å; I31-V35 HydrophobicContact CG2-CG2 4.21Å; I31-V35 WeakPolarHBondContact O-CB 3.46Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.33Å; I31-V35 PolarHBondContact O-N 2.81Å |
| 32 | V | 95.3 | Very high | 90.2 | Very high | 89 Ų | 89 | 100.2 Ų | 100.2 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | V28 Y29 S36 | V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.42Å; V28-V32 PolarHBondContact O-N 2.88Å; Y29-V32 PolarHBondContact O-N 3.02Å; V32-S36 WeakPolarHBondContact O-CB 3.33Å; V32-S36 PolarHBondContact O-N 3.38Å; V32-S36 PolarHBondContact O-OG 2.9Å |
| 33 | I | 93.6 | Very high | 89.7 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 175.1 | -67.9 | 164.6 | 0 | 0 | 0 | 110.5 | Y29 L30 I31 S36 F37 | Y29-I33 WeakPolarHBondContact O-CB 3.35Å; Y29-I33 VanDerWaalsContact O-CG1 3.23Å; Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 2.99Å; L30-I33 PolarHBondContact O-N 3.49Å; I31-I33 VanDerWaalsContact C-N 3.3Å; I31-I33 PolarHBondContact O-N 2.86Å; I33-S36 WeakPolarHBondContact CA-OG 3.16Å; I33-S36 PolarHBondContact O-N 2.9Å; I33-S36 PolarHBondContact O-OG 3.3Å; I33-F37 WeakPolarHBondContact O-CB 3.4Å; I33-F37 PolarHBondContact O-N 3.45Å |
| 34 | L | 94.3 | Very high | 89.3 | Confident | 127 Ų | 127 | 96 Ų | 96 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -43 | 177.5 | -75.3 | 172.9 | 0 | 0 | 0 | 112.5 | L30 I31 F37 G38 | L30-L34 WeakPolarHBondContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.44Å; I31-L34 PolarHBondContact O-N 2.89Å; L34-F37 PolarHBondContact O-N 3.25Å; L34-G38 PolarHBondContact O-N 2.91Å |
| 35 | V | 94.9 | Very high | 88.6 | Confident | 95 Ų | 95 | 100.1 Ų | 100.1 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | I31 G38 L39 | I31-V35 HydrophobicContact CG2-CG2 4.21Å; I31-V35 WeakPolarHBondContact O-CB 3.46Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.33Å; I31-V35 PolarHBondContact O-N 2.81Å; V35-G38 PolarHBondContact O-N 3.35Å; V35-L39 WeakPolarHBondContact O-CB 3.36Å; V35-L39 PolarHBondContact O-N 2.9Å |
| 36 | S | 92.6 | Very high | 87.6 | Confident | 62 Ų | 62 | 99.7 Ų | 99.7 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.4 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | V32 I33 F40 | V32-S36 WeakPolarHBondContact O-CB 3.33Å; V32-S36 PolarHBondContact O-N 3.38Å; V32-S36 PolarHBondContact O-OG 2.9Å; I33-S36 WeakPolarHBondContact CA-OG 3.16Å; I33-S36 PolarHBondContact O-N 2.9Å; I33-S36 PolarHBondContact O-OG 3.3Å; S36-F40 WeakPolarHBondContact O-CA 3.4Å; S36-F40 WeakPolarHBondContact O-CB 3.39Å; S36-F40 PolarHBondContact O-N 3.43Å |
| 37 | F | 93.4 | Very high | 86.1 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 55% | 0.553 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.7 | -38.3 | 177.7 | -160.7 | -98 | 0 | 0 | 0 | 111.8 | I33 L34 F40 M41 | I33-F37 WeakPolarHBondContact O-CB 3.4Å; I33-F37 PolarHBondContact O-N 3.45Å; L34-F37 PolarHBondContact O-N 3.25Å; F37-F40 PolarHBondContact O-N 3.33Å; F37-M41 HydrophobicContact CD1-CG 3.87Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE1-SD 4.22Å; F37-M41 HydrophobicContact CZ-CG 4.27Å; F37-M41 WeakPolarHBondContact O-CB 3.35Å; F37-M41 VanDerWaalsContact O-CG 3.23Å; F37-M41 WeakPolarHBondContact O-CG 3.17Å; F37-M41 PolarHBondContact O-N 2.83Å |
| 38 | G | 90.7 | Very high | 84.5 | Confident | 42 Ų | 42 | 109 Ų | 109 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L34 V35 M41 Y42 | L34-G38 PolarHBondContact O-N 2.91Å; V35-G38 PolarHBondContact O-N 3.35Å; G38-M41 PolarHBondContact O-N 2.81Å; G38-Y42 WeakPolarHBondContact O-CB 3.11Å; G38-Y42 PolarHBondContact O-N 2.63Å |
| 39 | L | 89.2 | Confident | 82.8 | Confident | 114 Ų | 114 | 113.6 Ų | 113.6 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 174.7 | -174.4 | 66.7 | 0 | 0 | 0 | 111.4 | V35 Y42 A43 | V35-L39 WeakPolarHBondContact O-CB 3.36Å; V35-L39 PolarHBondContact O-N 2.9Å; L39-Y42 PolarHBondContact O-N 3.47Å; L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 2.83Å |
| 40 | F | 88.1 | Confident | 81.2 | Confident | 122 Ų | 122 | 110.9 Ų | 110.9 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.9 | -179.5 | -100.6 | 0 | 0 | 0 | 111 | S36 F37 K44 | S36-F40 WeakPolarHBondContact O-CA 3.4Å; S36-F40 WeakPolarHBondContact O-CB 3.39Å; S36-F40 PolarHBondContact O-N 3.43Å; F37-F40 PolarHBondContact O-N 3.33Å; F40-K44 HydrophobicContact CE1-CD 3.98Å; F40-K44 HydrophobicContact CZ-CD 4.34Å; F40-K44 WeakPolarHBondContact O-CA 3.33Å; F40-K44 WeakPolarHBondContact O-CB 3.47Å; F40-K44 PolarHBondContact O-N 2.95Å |
| 41 | M | 85.2 | Confident | 79.3 | Confident | 76 Ų | 76 | 111 Ų | 111 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 175.8 | -78.3 | -88 | 54.1 | 0 | 0 | 111.9 | F37 G38 K44 R45 | F37-M41 HydrophobicContact CD1-CG 3.87Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE1-SD 4.22Å; F37-M41 HydrophobicContact CZ-CG 4.27Å; F37-M41 WeakPolarHBondContact O-CB 3.35Å; F37-M41 VanDerWaalsContact O-CG 3.23Å; F37-M41 WeakPolarHBondContact O-CG 3.17Å; F37-M41 PolarHBondContact O-N 2.83Å; G38-M41 PolarHBondContact O-N 2.81Å; M41-K44 HydrophobicContact CE-CB 4.12Å; M41-K44 HydrophobicContact CE-CD 3.87Å; M41-K44 HydrophobicContact CE-CG 4.21Å; M41-K44 PolarHBondContact O-N 3.49Å; M41-R45 WeakPolarHBondContact O-CB 3.16Å; M41-R45 PolarHBondContact O-N 3.48Å |
| 42 | Y | 81.8 | Confident | 77.5 | Confident | 160 Ų | 160 | 114.2 Ų | 114.2 | 63% | 0.627 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.5 | -50.7 | 173.9 | -179.1 | -101.5 | 0 | 0 | 0 | 110.9 | G38 L39 K44 R45 N46 | G38-Y42 WeakPolarHBondContact O-CB 3.11Å; G38-Y42 PolarHBondContact O-N 2.63Å; L39-Y42 PolarHBondContact O-N 3.47Å; Y42-K44 PolarHBondContact O-N 3.35Å; Y42-R45 PolarHBondContact O-N 2.77Å; Y42-N46 WeakPolarHBondContact O-CB 3.33Å; Y42-N46 PolarHBondContact O-N 3.25Å |
| 43 | A | 77.7 | Confident | 75.9 | Confident | 53 Ų | 53 | 116.5 Ų | 116.5 | 44% | 0.438 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L39 N46 K47 | L39-A43 WeakPolarHBondContact O-CB 3.43Å; L39-A43 PolarHBondContact O-N 2.83Å; A43-N46 CarbonylContact O-C 3.46Å; A43-N46 PolarHBondContact O-N 2.82Å; A43-K47 WeakPolarHBondContact O-CA 3.03Å; A43-K47 VanDerWaalsContact O-CB 3.26Å; A43-K47 WeakPolarHBondContact O-CB 3.47Å; A43-K47 PolarHBondContact O-N 3.49Å |
| 44 | K | 75.7 | Confident | 74.1 | Confident | 122 Ų | 122 | 121.2 Ų | 121.2 | 53% | 0.53 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69 | -42.7 | 176.6 | -179.1 | 171.9 | 172.6 | -178.9 | 0 | 111.8 | F40 M41 Y42 N46 K47 | F40-K44 HydrophobicContact CE1-CD 3.98Å; F40-K44 HydrophobicContact CZ-CD 4.34Å; F40-K44 WeakPolarHBondContact O-CA 3.33Å; F40-K44 WeakPolarHBondContact O-CB 3.47Å; F40-K44 PolarHBondContact O-N 2.95Å; M41-K44 HydrophobicContact CE-CB 4.12Å; M41-K44 HydrophobicContact CE-CD 3.87Å; M41-K44 HydrophobicContact CE-CG 4.21Å; M41-K44 PolarHBondContact O-N 3.49Å; Y42-K44 PolarHBondContact O-N 3.35Å; K44-N46 VanDerWaalsContact C-N 3.32Å; K44-K47 WeakPolarHBondContact O-CB 3.15Å; K44-K47 PolarHBondContact O-N 2.68Å |
| 45 | R | 67.8 | Low | 71.8 | Confident | 217 Ų | 217 | 117.6 Ų | 117.6 | 82% | 0.819 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.9 | -36.9 | 175.9 | -169.6 | 164.9 | -179.8 | 149 | -1.5 | 110.8 | M41 Y42 | M41-R45 WeakPolarHBondContact O-CB 3.16Å; M41-R45 PolarHBondContact O-N 3.48Å; Y42-R45 PolarHBondContact O-N 2.77Å |
| 46 | N | 65.5 | Low | 69.6 | Low | 41 Ų | 41 | 119.3 Ų | 119.3 | 22% | 0.219 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -84.1 | -14.1 | 174.9 | -159.9 | 34.1 | 0 | 0 | 0 | 113.6 | Y42 A43 K44 R48 R49 I50 | Y42-N46 WeakPolarHBondContact O-CB 3.33Å; Y42-N46 PolarHBondContact O-N 3.25Å; A43-N46 CarbonylContact O-C 3.46Å; A43-N46 PolarHBondContact O-N 2.82Å; K44-N46 VanDerWaalsContact C-N 3.32Å; N46-R48 PolarHBondContact O-N 2.75Å; N46-R49 CarbonylContact O-C 3.51Å; N46-R49 WeakPolarHBondContact O-CA 3.06Å; N46-R49 WeakPolarHBondContact O-CB 3.49Å; N46-R49 PolarHBondContact O-N 3.48Å; N46-R49 WeakPolarHBondContact OD1-CB 3.32Å; N46-I50 WeakPolarHBondContact ND2-CD1 3.15Å; N46-I50 PolarHBondContact O-N 3.19Å |
| 47 | K | 57.3 | Low | 67.7 | Low | 127 Ų | 127 | 121.5 Ų | 121.5 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.4 | -36.3 | 175 | -146.6 | -172.5 | -177.3 | -167.9 | 0 | 109.6 | A43 K44 R49 M51 | A43-K47 WeakPolarHBondContact O-CA 3.03Å; A43-K47 VanDerWaalsContact O-CB 3.26Å; A43-K47 WeakPolarHBondContact O-CB 3.47Å; A43-K47 PolarHBondContact O-N 3.49Å; K44-K47 WeakPolarHBondContact O-CB 3.15Å; K44-K47 PolarHBondContact O-N 2.68Å; K47-R49 PolarHBondContact O-N 3.41Å; K47-M51 HydrophobicContact CD-SD 4.48Å; K47-M51 HydrophobicContact CG-CG 4.42Å; K47-M51 HydrophobicContact CG-SD 4.37Å; K47-M51 VanDerWaalsContact O-CB 3.23Å; K47-M51 WeakPolarHBondContact O-CB 3.37Å; K47-M51 PolarHBondContact O-N 3.28Å |
| 48 | R | 58.4 | Low | 65.8 | Low | 182 Ų | 182 | 118.6 Ų | 118.6 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.3 | -30.7 | 170.2 | -67.2 | -166.6 | -170.8 | -170.4 | 3.8 | 113.5 | N46 | N46-R48 PolarHBondContact O-N 2.75Å |
| 49 | R | 57.3 | Low | 63.8 | Low | 180 Ų | 180 | 123.1 Ų | 123.1 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -91.4 | -35.2 | -179.3 | -115.6 | -171.4 | -174.2 | -156.6 | 1.6 | 113.5 | N46 K47 R52 | N46-R49 CarbonylContact O-C 3.51Å; N46-R49 WeakPolarHBondContact O-CA 3.06Å; N46-R49 WeakPolarHBondContact O-CB 3.49Å; N46-R49 PolarHBondContact O-N 3.48Å; N46-R49 WeakPolarHBondContact OD1-CB 3.32Å; K47-R49 PolarHBondContact O-N 3.41Å; R49-R52 WeakPolarHBondContact O-CB 3.46Å; R49-R52 PolarHBondContact O-N 3.5Å |
| 50 | I | 57 | Low | 61.8 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -83.8 | -36.8 | 179.1 | -63.7 | 174.4 | 0 | 0 | 0 | 111.9 | N46 R52 I53 | N46-I50 WeakPolarHBondContact ND2-CD1 3.15Å; N46-I50 PolarHBondContact O-N 3.19Å; I50-R52 PolarHBondContact O-N 2.94Å; I50-I53 PolarHBondContact O-N 3.32Å |
| 51 | M | 55.1 | Low | 59.9 | Low | 89 Ų | 89 | 127 Ų | 127 | 44% | 0.438 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.1 | -26.3 | 167.5 | -85.3 | 179.9 | 141.7 | 0 | 0 | 111.1 | K47 I53 S55 | K47-M51 HydrophobicContact CD-SD 4.48Å; K47-M51 HydrophobicContact CG-CG 4.42Å; K47-M51 HydrophobicContact CG-SD 4.37Å; K47-M51 VanDerWaalsContact O-CB 3.23Å; K47-M51 WeakPolarHBondContact O-CB 3.37Å; K47-M51 PolarHBondContact O-N 3.28Å; M51-I53 PolarHBondContact O-N 2.8Å; M51-S55 WeakPolarHBondContact CA-OG 3.38Å; M51-S55 WeakPolarHBondContact CG-OG 2.98Å; M51-S55 CarbonylContact O-C 3.57Å; M51-S55 WeakPolarHBondContact O-CA 3.07Å; M51-S55 WeakPolarHBondContact O-CB 3.36Å; M51-S55 PolarHBondContact O-N 3.17Å; M51-S55 PolarHBondContact O-OG 3.16Å |
| 52 | R | 55.9 | Low | 57.9 | Low | 172 Ų | 172 | 128.8 Ų | 128.8 | 65% | 0.649 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.8 | -19.3 | -179.5 | -123.4 | -177.6 | 179.5 | 173.5 | 3.3 | 115.2 | R49 I50 | R49-R52 WeakPolarHBondContact O-CB 3.46Å; R49-R52 PolarHBondContact O-N 3.5Å; I50-R52 PolarHBondContact O-N 2.94Å |
| 53 | I | 62.2 | Low | 56.2 | Low | 137 Ų | 137 | 128.7 Ų | 128.7 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -103.5 | -34 | -174.4 | -54.7 | 175 | 0 | 0 | 0 | 112.1 | I50 M51 | I50-I53 PolarHBondContact O-N 3.32Å; M51-I53 PolarHBondContact O-N 2.8Å |
| 54 | F | 55.6 | Low | 54.9 | Low | 197 Ų | 197 | 131.1 Ų | 131.1 | 86% | 0.864 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -115.5 | -18.6 | -176.3 | -82 | -77.9 | 0 | 0 | 0 | 114.8 | ||
| 55 | S | 46.3 | Very low | 53.6 | Low | 51 Ų | 51 | 134.1 Ų | 134.1 | 36% | 0.357 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -95.7 | 126.1 | 171.2 | -33.3 | 0 | 0 | 0 | 0 | 106.2 | M51 | M51-S55 WeakPolarHBondContact CA-OG 3.38Å; M51-S55 WeakPolarHBondContact CG-OG 2.98Å; M51-S55 CarbonylContact O-C 3.57Å; M51-S55 WeakPolarHBondContact O-CA 3.07Å; M51-S55 WeakPolarHBondContact O-CB 3.36Å; M51-S55 PolarHBondContact O-N 3.17Å; M51-S55 PolarHBondContact O-OG 3.16Å |
| 56 | V | 48.3 | Very low | 53.3 | Low | 131 Ų | 131 | 126.9 Ų | 126.9 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -30.7 | 130.1 | 169 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | P58 | V56-P58 VanDerWaalsContact O-N 3.16Š|
| 57 | P | 53 | Low | 53.1 | Low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | trans | -41.9 | 120.1 | -166.8 | 13.4 | -30.7 | 0 | 0 | 0 | 111.6 | T59 | P57-T59 PolarHBondContact O-N 3.03Š| ||
| 58 | P | 53.8 | Low | 53.2 | Low | 66 Ų | 66 | 130.6 Ų | 130.6 | 43% | 0.429 | 66% | 0.661 | S | S | . | * | trans | -68.4 | 111.4 | -178.5 | 23.6 | -27.7 | 0 | 0 | 0 | 108.4 | V56 E60 | V56-P58 VanDerWaalsContact O-N 3.16Å; P58-E60 PolarHBondContact O-N 2.95Å | ||
| 59 | T | 47.9 | Very low | 53.5 | Low | 137 Ų | 137 | 130.3 Ų | 130.3 | 84% | 0.84 | 66% | 0.661 | S | S | * | * | trans | -47.2 | 92.1 | 151.1 | 23.6 | 0 | 0 | 0 | 0 | 107.8 | P57 E61 | P57-T59 PolarHBondContact O-N 3.03Å; T59-E61 VanDerWaalsContact C-N 3.33Å; T59-E61 PolarHBondContact O-N 2.88Å | ||
| 60 | E | 48.1 | Very low | 54.4 | Low | 134 Ų | 134 | 125 Ų | 125 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | -61.5 | 102.4 | 164.4 | -67.1 | -143.4 | 144 | 0 | 0 | 107 | P58 T62 | P58-E60 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact C-N 3.26Å; E60-T62 PolarHBondContact O-N 2.97Å | ||
| 61 | E | 47.7 | Very low | 55.4 | Low | 184 Ų | 184 | 122.8 Ų | 122.8 | 86% | 0.86 | 64% | 0.637 | S | S | * | * | trans | -56.2 | 97.3 | 150.1 | -67.7 | -176.3 | 165.4 | 0 | 0 | 107.2 | T59 | T59-E61 VanDerWaalsContact C-N 3.33Å; T59-E61 PolarHBondContact O-N 2.88Å | ||
| 62 | T | 43.3 | Very low | 56.6 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.693 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -172.5 | 112.5 | 138.5 | 16.6 | 0 | 0 | 0 | 0 | 110.1 | E60 | E60-T62 VanDerWaalsContact C-N 3.26Å; E60-T62 PolarHBondContact O-N 2.97Å |
| 63 | L | 46.4 | Very low | 58 | Low | 157 Ų | 157 | 117.7 Ų | 117.7 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 79.6 | 99.1 | 165.2 | -44.8 | -175.5 | 0 | 0 | 0 | 114.1 | ||
| 64 | S | 49.5 | Very low | 59 | Low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | trans | 78.7 | 101 | 167.8 | 88 | 0 | 0 | 0 | 0 | 112.6 | P66 | S64-P66 WeakPolarHBondContact O-CD 3.14Å; S64-P66 WeakPolarHBondContact OG-CD 3.13Å | ||
| 65 | E | 50 | Low | 60.5 | Low | 185 Ų | 185 | 111.9 Ų | 111.9 | 86% | 0.864 | 60% | 0.602 | S | S | * | * | trans | -87.9 | 41.4 | 158.5 | -152.3 | -178.7 | 156.8 | 0 | 0 | 112.3 | N67 | E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 2.89Å | ||
| 66 | P | 60.1 | Low | 62.5 | Low | 65 Ų | 65 | 117.4 Ų | 117.4 | 42% | 0.422 | 62% | 0.615 | S | S | . | * | trans | -98 | 45.4 | 178.2 | 43.5 | -37.3 | 0 | 0 | 0 | 110 | S64 D70 | S64-P66 WeakPolarHBondContact O-CD 3.14Å; S64-P66 WeakPolarHBondContact OG-CD 3.13Å; P66-D70 WeakPolarHBondContact O-CB 3.37Å; P66-D70 VanDerWaalsContact O-OD2 3.12Å | ||
| 67 | N | 62 | Low | 64.4 | Low | 104 Ų | 104 | 116 Ų | 116 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -128.3 | -32.6 | -179.6 | -144.5 | -24.9 | 0 | 0 | 0 | 114.9 | E65 T71 | E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 2.89Å; N67-T71 WeakPolarHBondContact O-CA 3.15Å; N67-T71 WeakPolarHBondContact O-CB 3.48Å; N67-T71 PolarHBondContact O-N 2.65Å; N67-T71 PolarHBondContact O-OG1 2.81Å; N67-T71 PolarHBondContact OD1-OG1 3.48Å |
| 68 | F | 60 | Low | 66 | Low | 141 Ų | 141 | 119 Ų | 119 | 62% | 0.618 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -57.1 | 179.1 | -171.7 | -98.8 | 0 | 0 | 0 | 111.9 | D70 T71 I72 | F68-D70 VanDerWaalsContact C-N 3.33Å; F68-D70 PolarHBondContact O-N 2.82Å; F68-T71 PolarHBondContact O-N 3.29Å; F68-I72 HydrophobicContact CE1-CG1 4.18Å; F68-I72 HydrophobicContact CZ-CG1 4.3Å; F68-I72 WeakPolarHBondContact O-CG1 3.36Å; F68-I72 PolarHBondContact O-N 3.5Å |
| 69 | Y | 63.9 | Low | 67.6 | Low | 176 Ų | 176 | 122 Ų | 122 | 69% | 0.69 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.2 | -33.4 | 176.3 | -71.9 | -73.8 | 0 | 0 | 0 | 112.4 | I72 S73 | Y69-I72 PolarHBondContact O-N 3.43Å; Y69-S73 WeakPolarHBondContact O-CA 3.16Å; Y69-S73 WeakPolarHBondContact O-CB 3.48Å; Y69-S73 PolarHBondContact O-N 2.79Å; Y69-S73 PolarHBondContact O-OG 3.4Å |
| 70 | D | 75.7 | Confident | 69.4 | Low | 69 Ų | 69 | 120.5 Ų | 120.5 | 37% | 0.369 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 171.9 | -95.8 | 30.4 | 0 | 0 | 0 | 111.4 | P66 F68 K74 | P66-D70 WeakPolarHBondContact O-CB 3.37Å; P66-D70 VanDerWaalsContact O-OD2 3.12Å; F68-D70 VanDerWaalsContact C-N 3.33Å; F68-D70 PolarHBondContact O-N 2.82Å; D70-K74 WeakPolarHBondContact O-CB 3.16Å; D70-K74 WeakPolarHBondContact O-CD 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.23Å; D70-K74 PolarHBondContact O-N 2.75Å; D70-K74 IonicContact OD2-NZ 3.49Å; D70-K74 PolarHBondContact OD2-NZ 2.78Å |
| 71 | T | 79.6 | Confident | 71.2 | Confident | 58 Ų | 58 | 119 Ų | 119 | 36% | 0.356 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -46.7 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | N67 F68 S73 K74 I75 | N67-T71 WeakPolarHBondContact O-CA 3.15Å; N67-T71 WeakPolarHBondContact O-CB 3.48Å; N67-T71 PolarHBondContact O-N 2.65Å; N67-T71 PolarHBondContact O-OG1 2.81Å; N67-T71 PolarHBondContact OD1-OG1 3.48Å; F68-T71 PolarHBondContact O-N 3.29Å; T71-S73 PolarHBondContact O-N 3.26Å; T71-K74 PolarHBondContact O-N 2.82Å; T71-I75 HydrophobicContact CG2-CD1 3.74Å; T71-I75 HydrophobicContact CG2-CG1 4.35Å; T71-I75 WeakPolarHBondContact O-CB 3.43Å; T71-I75 WeakPolarHBondContact O-CD1 3.08Å; T71-I75 WeakPolarHBondContact O-CG1 3.35Å; T71-I75 PolarHBondContact O-N 3.4Å |
| 72 | I | 80.4 | Confident | 73 | Confident | 83 Ų | 83 | 114.6 Ų | 114.6 | 43% | 0.426 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63 | -43.5 | 177.1 | -65.3 | -70.5 | 0 | 0 | 0 | 111.2 | F68 Y69 I75 R76 | F68-I72 HydrophobicContact CE1-CG1 4.18Å; F68-I72 HydrophobicContact CZ-CG1 4.3Å; F68-I72 WeakPolarHBondContact O-CG1 3.36Å; F68-I72 PolarHBondContact O-N 3.5Å; Y69-I72 PolarHBondContact O-N 3.43Å; I72-I75 PolarHBondContact O-N 2.74Å; I72-R76 VanDerWaalsContact O-CB 3.32Å; I72-R76 WeakPolarHBondContact O-CB 3.18Å; I72-R76 PolarHBondContact O-N 3.47Å |
| 73 | S | 83.6 | Confident | 74.9 | Confident | 70 Ų | 70 | 116 Ų | 116 | 49% | 0.49 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.7 | -40.8 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | Y69 T71 R76 L77 | Y69-S73 WeakPolarHBondContact O-CA 3.16Å; Y69-S73 WeakPolarHBondContact O-CB 3.48Å; Y69-S73 PolarHBondContact O-N 2.79Å; Y69-S73 PolarHBondContact O-OG 3.4Å; T71-S73 PolarHBondContact O-N 3.26Å; S73-R76 PolarHBondContact O-N 3.48Å; S73-L77 WeakPolarHBondContact O-CB 3.5Å; S73-L77 PolarHBondContact O-N 2.74Å |
| 74 | K | 84.3 | Confident | 76.7 | Confident | 122 Ų | 122 | 114.8 Ų | 114.8 | 53% | 0.53 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63 | -43 | 173.2 | -75.7 | 166 | -162.9 | 168.3 | 0 | 111.3 | D70 T71 R78 | D70-K74 WeakPolarHBondContact O-CB 3.16Å; D70-K74 WeakPolarHBondContact O-CD 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.23Å; D70-K74 PolarHBondContact O-N 2.75Å; D70-K74 IonicContact OD2-NZ 3.49Å; D70-K74 PolarHBondContact OD2-NZ 2.78Å; T71-K74 PolarHBondContact O-N 2.82Å; K74-R78 WeakPolarHBondContact O-CB 3.02Å; K74-R78 PolarHBondContact O-N 2.77Å |
| 75 | I | 86.9 | Confident | 78 | Confident | 90 Ų | 90 | 112.4 Ų | 112.4 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 176 | -70.7 | 165.3 | 0 | 0 | 0 | 109.8 | T71 I72 L77 R78 Q79 | T71-I75 HydrophobicContact CG2-CD1 3.74Å; T71-I75 HydrophobicContact CG2-CG1 4.35Å; T71-I75 WeakPolarHBondContact O-CB 3.43Å; T71-I75 WeakPolarHBondContact O-CD1 3.08Å; T71-I75 WeakPolarHBondContact O-CG1 3.35Å; T71-I75 PolarHBondContact O-N 3.4Å; I72-I75 PolarHBondContact O-N 2.74Å; I75-L77 PolarHBondContact O-N 3.47Å; I75-R78 PolarHBondContact O-N 3.43Å; I75-Q79 WeakPolarHBondContact O-CB 3.46Å; I75-Q79 PolarHBondContact O-N 2.85Å |
| 76 | R | 87.8 | Confident | 79.3 | Confident | 168 Ų | 168 | 107.8 Ų | 107.8 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | -179.3 | -173.3 | 177 | 179.6 | 179.8 | 1.3 | 111.9 | I72 S73 Q79 Q80 | I72-R76 VanDerWaalsContact O-CB 3.32Å; I72-R76 WeakPolarHBondContact O-CB 3.18Å; I72-R76 PolarHBondContact O-N 3.47Å; S73-R76 PolarHBondContact O-N 3.48Å; R76-Q79 PolarHBondContact O-N 3.43Å; R76-Q80 WeakPolarHBondContact O-CB 3.14Å; R76-Q80 WeakPolarHBondContact O-CG 3.19Å; R76-Q80 PolarHBondContact O-N 3.46Å |
| 77 | L | 88.8 | Confident | 80.1 | Confident | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 177.4 | -173.1 | 105.3 | 0 | 0 | 0 | 111 | S73 I75 Q79 Q80 L81 | S73-L77 WeakPolarHBondContact O-CB 3.5Å; S73-L77 PolarHBondContact O-N 2.74Å; I75-L77 PolarHBondContact O-N 3.47Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 3.44Å; L77-Q80 PolarHBondContact O-N 2.81Å; L77-L81 HydrophobicContact CD2-CD1 4.04Å; L77-L81 HydrophobicContact CG-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CG 3.23Å; L77-L81 PolarHBondContact O-N 2.82Å |
| 78 | R | 86 | Confident | 80.4 | Confident | 169 Ų | 169 | 107.7 Ų | 107.7 | 64% | 0.638 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.2 | -46.5 | 175.8 | -178 | 177.6 | -179.3 | 165.4 | 5.4 | 111 | K74 I75 Q80 L81 E82 | K74-R78 WeakPolarHBondContact O-CB 3.02Å; K74-R78 PolarHBondContact O-N 2.77Å; I75-R78 PolarHBondContact O-N 3.43Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-Q80 PolarHBondContact O-N 2.89Å; R78-L81 PolarHBondContact O-N 2.78Å; R78-E82 HydrophobicContact CG-CG 4.43Å; R78-E82 WeakPolarHBondContact CG-OE1 3.42Å; R78-E82 IonicContact CZ-OE1 3.76Å; R78-E82 IonicContact NE-OE1 2.9Å; R78-E82 PolarHBondContact NE-OE1 2.72Å; R78-E82 IonicContact NH2-OE1 3.76Å; R78-E82 WeakPolarHBondContact O-CB 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.2Å; R78-E82 PolarHBondContact O-N 3.26Å |
| 79 | Q | 86.6 | Confident | 80.8 | Confident | 130 Ų | 130 | 107.6 Ų | 107.6 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -36.7 | 179 | -163 | 172.7 | -7.5 | 0 | 0 | 112.3 | I75 R76 L77 M83 | I75-Q79 WeakPolarHBondContact O-CB 3.46Å; I75-Q79 PolarHBondContact O-N 2.85Å; R76-Q79 PolarHBondContact O-N 3.43Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 3.44Å; Q79-M83 WeakPolarHBondContact O-CB 3.48Å; Q79-M83 PolarHBondContact O-N 3.41Å |
| 80 | Q | 87.5 | Confident | 80.5 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 173.7 | -76.5 | 179.6 | -1.2 | 0 | 0 | 112.7 | R76 L77 R78 M83 Y84 | R76-Q80 WeakPolarHBondContact O-CB 3.14Å; R76-Q80 WeakPolarHBondContact O-CG 3.19Å; R76-Q80 PolarHBondContact O-N 3.46Å; L77-Q80 PolarHBondContact O-N 2.81Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-Q80 PolarHBondContact O-N 2.89Å; Q80-M83 PolarHBondContact O-N 3.31Å; Q80-Y84 VanDerWaalsContact O-CB 3.26Å; Q80-Y84 WeakPolarHBondContact O-CB 3.44Å; Q80-Y84 PolarHBondContact O-N 3.28Å |
| 81 | L | 86.1 | Confident | 79.8 | Confident | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 177 | -72.8 | 174.7 | 0 | 0 | 0 | 112 | L77 R78 Y84 S85 | L77-L81 HydrophobicContact CD2-CD1 4.04Å; L77-L81 HydrophobicContact CG-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CG 3.23Å; L77-L81 PolarHBondContact O-N 2.82Å; R78-L81 PolarHBondContact O-N 2.78Å; L81-Y84 PolarHBondContact O-N 3.07Å; L81-S85 VanDerWaalsContact O-CB 3.25Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 3.39Å; L81-S85 PolarHBondContact O-OG 3.22Å; L81-S85 VanDerWaalsContact O-OG 3.13Å |
| 82 | E | 85.4 | Confident | 78.8 | Confident | 90 Ų | 90 | 112.5 Ų | 112.5 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -49.9 | 172.9 | -75.4 | 174.8 | -171.2 | 0 | 0 | 109.9 | R78 Y84 S85 I86 | R78-E82 HydrophobicContact CG-CG 4.43Å; R78-E82 WeakPolarHBondContact CG-OE1 3.42Å; R78-E82 IonicContact CZ-OE1 3.76Å; R78-E82 IonicContact NE-OE1 2.9Å; R78-E82 PolarHBondContact NE-OE1 2.72Å; R78-E82 IonicContact NH2-OE1 3.76Å; R78-E82 WeakPolarHBondContact O-CB 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.2Å; R78-E82 PolarHBondContact O-N 3.26Å; E82-Y84 PolarHBondContact O-N 3.44Å; E82-S85 PolarHBondContact O-N 3.2Å; E82-S85 PolarHBondContact O-OG 2.85Å; E82-I86 WeakPolarHBondContact O-CB 3.25Å; E82-I86 WeakPolarHBondContact O-CD1 3.23Å; E82-I86 WeakPolarHBondContact O-CG1 3.45Å; E82-I86 PolarHBondContact O-N 2.86Å |
| 83 | M | 81.9 | Confident | 77.6 | Confident | 143 Ų | 143 | 113.2 Ų | 113.2 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -45.4 | 176.6 | -173.9 | -179.7 | 179.1 | 0 | 0 | 112.7 | Q79 Q80 I86 S87 | Q79-M83 WeakPolarHBondContact O-CB 3.48Å; Q79-M83 PolarHBondContact O-N 3.41Å; Q80-M83 PolarHBondContact O-N 3.31Å; M83-I86 PolarHBondContact O-N 3.08Å; M83-S87 WeakPolarHBondContact O-CB 3.18Å; M83-S87 PolarHBondContact O-N 2.87Å; M83-S87 PolarHBondContact O-OG 2.95Å |
| 84 | Y | 83.8 | Confident | 76.1 | Confident | 131 Ų | 131 | 116.1 Ų | 116.1 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 179.9 | -177.9 | -98.8 | 0 | 0 | 0 | 112.4 | Q80 L81 E82 S87 R88 | Q80-Y84 VanDerWaalsContact O-CB 3.26Å; Q80-Y84 WeakPolarHBondContact O-CB 3.44Å; Q80-Y84 PolarHBondContact O-N 3.28Å; L81-Y84 PolarHBondContact O-N 3.07Å; E82-Y84 PolarHBondContact O-N 3.44Å; Y84-S87 WeakPolarHBondContact CA-OG 3.01Å; Y84-S87 PolarHBondContact O-OG 3.31Å; Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.98Å; Y84-R88 PolarHBondContact OH-NH2 3.18Å; Y84-R88 VanDerWaalsContact OH-NH2 3.12Å |
| 85 | S | 78.5 | Confident | 74.7 | Confident | 55 Ų | 55 | 114.3 Ų | 114.3 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 176.2 | 71.8 | 0 | 0 | 0 | 0 | 112 | L81 E82 K89 | L81-S85 VanDerWaalsContact O-CB 3.25Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 3.39Å; L81-S85 PolarHBondContact O-OG 3.22Å; L81-S85 VanDerWaalsContact O-OG 3.13Å; E82-S85 PolarHBondContact O-N 3.2Å; E82-S85 PolarHBondContact O-OG 2.85Å; S85-K89 WeakPolarHBondContact O-CB 3.36Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.19Å; S85-K89 PolarHBondContact O-N 3.46Å |
| 86 | I | 77.4 | Confident | 73 | Confident | 88 Ų | 88 | 116.9 Ų | 116.9 | 45% | 0.451 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.6 | -49.9 | 175.7 | -70.1 | 167.3 | 0 | 0 | 0 | 109.6 | E82 M83 R88 K89 Y90 | E82-I86 WeakPolarHBondContact O-CB 3.25Å; E82-I86 WeakPolarHBondContact O-CD1 3.23Å; E82-I86 WeakPolarHBondContact O-CG1 3.45Å; E82-I86 PolarHBondContact O-N 2.86Å; M83-I86 PolarHBondContact O-N 3.08Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.38Å; I86-K89 PolarHBondContact O-N 3.2Å; I86-Y90 HydrophobicContact CG2-CD2 3.6Å; I86-Y90 HydrophobicContact CG2-CE2 3.39Å; I86-Y90 WeakPolarHBondContact O-CD2 3.36Å; I86-Y90 PolarHBondContact O-N 2.76Å |
| 87 | S | 76.2 | Confident | 71.2 | Confident | 50 Ų | 50 | 113.6 Ų | 113.6 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 179.1 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | M83 Y84 Y90 D91 | M83-S87 WeakPolarHBondContact O-CB 3.18Å; M83-S87 PolarHBondContact O-N 2.87Å; M83-S87 PolarHBondContact O-OG 2.95Å; Y84-S87 WeakPolarHBondContact CA-OG 3.01Å; Y84-S87 PolarHBondContact O-OG 3.31Å; S87-Y90 PolarHBondContact O-N 2.95Å; S87-D91 PolarHBondContact O-N 3.28Å |
| 88 | R | 68.7 | Low | 69.4 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 176.8 | -143.8 | -152.5 | -79.2 | -168.7 | -12.7 | 111.6 | Y84 I86 Y90 D91 Y92 | Y84-R88 WeakPolarHBondContact O-CB 3.49Å; Y84-R88 PolarHBondContact O-N 2.98Å; Y84-R88 PolarHBondContact OH-NH2 3.18Å; Y84-R88 VanDerWaalsContact OH-NH2 3.12Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.38Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3.46Å; R88-D91 CarbonylContact O-C 3.6Å; R88-D91 PolarHBondContact O-N 3.35Å; R88-D91 VanDerWaalsContact O-N 3.14Å; R88-Y92 HydrophobicContact CG-CD2 3.86Å; R88-Y92 HydrophobicContact CG-CE2 3.72Å; R88-Y92 VanDerWaalsContact O-CD2 3.27Å; R88-Y92 WeakPolarHBondContact O-CD2 3.16Å; R88-Y92 PolarHBondContact O-N 2.83Å |
| 89 | K | 66.7 | Low | 67.8 | Low | 139 Ų | 139 | 109.2 Ų | 109.2 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.2 | -41 | 173.3 | -80.9 | -178.8 | 178.7 | -172.9 | 0 | 111.3 | S85 I86 Y92 Q93 | S85-K89 WeakPolarHBondContact O-CB 3.36Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.19Å; S85-K89 PolarHBondContact O-N 3.46Å; I86-K89 PolarHBondContact O-N 3.2Å; K89-Y92 PolarHBondContact O-N 3.27Å; K89-Q93 WeakPolarHBondContact O-CB 3.2Å; K89-Q93 VanDerWaalsContact O-CG 3.23Å; K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 3.36Å; K89-Q93 PolarHBondContact O-OE1 3.35Å |
| 90 | Y | 58.3 | Low | 66.1 | Low | 146 Ų | 146 | 107.9 Ų | 107.9 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 173.4 | -77 | -69.5 | 0 | 0 | 0 | 112.9 | I86 S87 R88 Y92 Q93 Q94 | I86-Y90 HydrophobicContact CG2-CD2 3.6Å; I86-Y90 HydrophobicContact CG2-CE2 3.39Å; I86-Y90 WeakPolarHBondContact O-CD2 3.36Å; I86-Y90 PolarHBondContact O-N 2.76Å; S87-Y90 PolarHBondContact O-N 2.95Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3.46Å; Y90-Y92 VanDerWaalsContact C-N 3.32Å; Y90-Y92 PolarHBondContact O-N 3.01Å; Y90-Q93 PolarHBondContact O-N 2.84Å; Y90-Q94 WeakPolarHBondContact O-CB 3.37Å; Y90-Q94 PolarHBondContact O-N 2.76Å |
| 91 | D | 60.9 | Low | 64.6 | Low | 105 Ų | 105 | 105.8 Ų | 105.8 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.7 | -25.8 | 174 | -85.5 | -35.9 | 0 | 0 | 0 | 113.7 | S87 R88 P95 | S87-D91 PolarHBondContact O-N 3.28Å; R88-D91 CarbonylContact O-C 3.6Å; R88-D91 PolarHBondContact O-N 3.35Å; R88-D91 VanDerWaalsContact O-N 3.14Å; D91-P95 WeakPolarHBondContact O-CD 3.38Å; D91-P95 VanDerWaalsContact O-CG 3.29Å; D91-P95 WeakPolarHBondContact O-CG 3.22Å |
| 92 | Y | 58 | Low | 63 | Low | 155 Ų | 155 | 105 Ų | 105 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -89.6 | -29.4 | 172.9 | -83.3 | -90.2 | 0 | 0 | 0 | 112.3 | R88 K89 Y90 P95 | R88-Y92 HydrophobicContact CG-CD2 3.86Å; R88-Y92 HydrophobicContact CG-CE2 3.72Å; R88-Y92 VanDerWaalsContact O-CD2 3.27Å; R88-Y92 WeakPolarHBondContact O-CD2 3.16Å; R88-Y92 PolarHBondContact O-N 2.83Å; K89-Y92 PolarHBondContact O-N 3.27Å; Y90-Y92 VanDerWaalsContact C-N 3.32Å; Y90-Y92 PolarHBondContact O-N 3.01Å; Y92-P95 WeakPolarHBondContact O-CD 2.96Å; Y92-P95 WeakPolarHBondContact O-CG 3.36Å |
| 93 | Q | 56.3 | Low | 61.4 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.9 | -24.1 | 174.1 | -75.8 | 173.1 | -39.7 | 0 | 0 | 112.5 | K89 Y90 N97 | K89-Q93 WeakPolarHBondContact O-CB 3.2Å; K89-Q93 VanDerWaalsContact O-CG 3.23Å; K89-Q93 WeakPolarHBondContact O-CG 3.31Å; K89-Q93 PolarHBondContact O-N 3.36Å; K89-Q93 PolarHBondContact O-OE1 3.35Å; Y90-Q93 PolarHBondContact O-N 2.84Å; Q93-N97 WeakPolarHBondContact O-CB 3.3Å; Q93-N97 PolarHBondContact O-N 3.1Å; Q93-N97 PolarHBondContact O-ND2 2.72Å |
| 94 | Q | 52.6 | Low | 59.9 | Low | 131 Ų | 131 | 108.5 Ų | 108.5 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.4 | -45.8 | 172.1 | -94.3 | -173.7 | 25.6 | 0 | 0 | 113.6 | Y90 Q96 Q98 | Y90-Q94 WeakPolarHBondContact O-CB 3.37Å; Y90-Q94 PolarHBondContact O-N 2.76Å; Q94-Q96 PolarHBondContact O-N 3.32Å; Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 PolarHBondContact O-N 2.97Å |
| 95 | P | 53.4 | Low | 58.6 | Low | 83 Ų | 83 | 106.9 Ų | 106.9 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.1 | -27.1 | 177.3 | 23.7 | -31.2 | 0 | 0 | 0 | 112.9 | D91 Y92 | D91-P95 WeakPolarHBondContact O-CD 3.38Å; D91-P95 VanDerWaalsContact O-CG 3.29Å; D91-P95 WeakPolarHBondContact O-CG 3.22Å; Y92-P95 WeakPolarHBondContact O-CD 2.96Å; Y92-P95 WeakPolarHBondContact O-CG 3.36Å |
| 96 | Q | 51.7 | Low | 57.5 | Low | 144 Ų | 144 | 111.9 Ų | 111.9 | 67% | 0.673 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -87.1 | -41 | -177.7 | -138.7 | 173.2 | -6 | 0 | 0 | 113.4 | Q94 Q98 A99 D100 | Q94-Q96 PolarHBondContact O-N 3.32Å; Q96-Q98 VanDerWaalsContact C-N 3.33Å; Q96-Q98 PolarHBondContact O-N 2.98Å; Q96-A99 PolarHBondContact O-N 2.62Å; Q96-D100 PolarHBondContact O-N 3.2Å |
| 97 | N | 50.4 | Low | 56.1 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.5 | -22.6 | 175.1 | -77.8 | -59.9 | 0 | 0 | 0 | 113.2 | Q93 S101 | Q93-N97 WeakPolarHBondContact O-CB 3.3Å; Q93-N97 PolarHBondContact O-N 3.1Å; Q93-N97 PolarHBondContact O-ND2 2.72Å; N97-S101 WeakPolarHBondContact O-CB 2.92Å; N97-S101 PolarHBondContact O-N 3.2Å; N97-S101 VanDerWaalsContact O-N 3.07Å; N97-S101 PolarHBondContact O-OG 2.81Å |
| 98 | Q | 51.6 | Low | 55.1 | Low | 130 Ų | 130 | 122.9 Ų | 122.9 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.9 | -26.4 | 175 | -161 | 169.1 | 22.5 | 0 | 0 | 112.3 | Q94 Q96 S101 V102 | Q94-Q98 WeakPolarHBondContact O-CB 3.48Å; Q94-Q98 PolarHBondContact O-N 2.97Å; Q96-Q98 VanDerWaalsContact C-N 3.33Å; Q96-Q98 PolarHBondContact O-N 2.98Å; Q98-S101 WeakPolarHBondContact CA-OG 3.14Å; Q98-V102 HydrophobicContact CG-CG2 4.31Å; Q98-V102 WeakPolarHBondContact O-CB 3.4Å; Q98-V102 WeakPolarHBondContact O-CG2 3.32Å; Q98-V102 PolarHBondContact O-N 3.5Å |
| 99 | A | 52 | Low | 54.3 | Low | 50 Ų | 50 | 123.2 Ų | 123.2 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.4 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q96 Q103 | Q96-A99 PolarHBondContact O-N 2.62Å; A99-Q103 PolarHBondContact O-N 3.22Å |
| 100 | D | 51.3 | Low | 53.7 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -75.7 | -36.5 | -177.5 | -66.4 | -18.2 | 0 | 0 | 0 | 112.4 | Q96 L104 | Q96-D100 PolarHBondContact O-N 3.2Å; D100-L104 PolarHBondContact O-N 3.05Å; D100-L104 VanDerWaalsContact O-N 3.15Å |
| 101 | S | 56.2 | Low | 53.4 | Low | 62 Ų | 62 | 120.9 Ų | 120.9 | 43% | 0.434 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.3 | -29.4 | 177.1 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | N97 Q98 S105 | N97-S101 WeakPolarHBondContact O-CB 2.92Å; N97-S101 PolarHBondContact O-N 3.2Å; N97-S101 VanDerWaalsContact O-N 3.07Å; N97-S101 PolarHBondContact O-OG 2.81Å; Q98-S101 WeakPolarHBondContact CA-OG 3.14Å; S101-S105 PolarHBondContact O-OG 3Å |
| 102 | V | 52.8 | Low | 52.9 | Low | 86 Ų | 86 | 121.9 Ų | 121.9 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.4 | -33.8 | 176.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | Q98 | Q98-V102 HydrophobicContact CG-CG2 4.31Å; Q98-V102 WeakPolarHBondContact O-CB 3.4Å; Q98-V102 WeakPolarHBondContact O-CG2 3.32Å; Q98-V102 PolarHBondContact O-N 3.5Å |
| 103 | Q | 51.8 | Low | 52.6 | Low | 156 Ų | 156 | 119.7 Ų | 119.7 | 73% | 0.729 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.2 | -37.8 | 174.8 | -74.5 | -170.1 | 21.6 | 0 | 0 | 112.8 | A99 S105 L106 | A99-Q103 PolarHBondContact O-N 3.22Å; Q103-S105 PolarHBondContact O-N 2.76Å; Q103-L106 PolarHBondContact O-N 3.03Å |
| 104 | L | 49.9 | Very low | 52.3 | Low | 152 Ų | 152 | 121.2 Ų | 121.2 | 80% | 0.796 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -12.7 | 179.9 | -130 | 103.3 | 0 | 0 | 0 | 114.1 | D100 | D100-L104 PolarHBondContact O-N 3.05Å; D100-L104 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 56.5 | Low | 52.3 | Low | 96 Ų | 96 | 120.5 Ų | 120.5 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -3.3 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | S101 Q103 | S101-S105 PolarHBondContact O-OG 3Å; Q103-S105 PolarHBondContact O-N 2.76Å |
| 106 | L | 54.8 | Low | 52.2 | Low | 161 Ų | 161 | 123.6 Ų | 123.6 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | trans | -108.9 | 8.3 | -174.9 | -128.2 | 83.6 | 0 | 0 | 0 | 114.9 | Q103 | Q103-L106 PolarHBondContact O-N 3.03Š| ||
| 107 | E | 47.4 | Very low | 52.2 | Low | 246 Ų | 246 | 121.7 Ų | 121.7 | 100% | 1.15 | 66% | 0.658 | S | S | * | * | trans | -108.2 | 0 | 168.6 | -162.7 | 164.5 | 121.5 | 0 | 0 | 110.3 |
Retrieved 107 of 107 residues in 29.1 ms
(Link to these results)