| 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 | D | 59.7 | Low | 61.9 | Low | 200 Ų | 200 | 132.7 Ų | 132.7 | 100% | 1.07 | 81% | 0.813 | S | S | * | * | 0 | 77.7 | 0 | -51.8 | -45.2 | 0 | 0 | 0 | 112 | |||||
| 2 | F | 62 | Low | 62.2 | Low | 201 Ų | 201 | 129.8 Ų | 129.8 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -155.6 | 84 | 155 | -97.4 | -75.3 | 0 | 0 | 0 | 106.9 | ||||
| 3 | D | 65.9 | Low | 62.7 | Low | 164 Ų | 164 | 130.8 Ų | 130.8 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -74.2 | 114.3 | 161.1 | -101.9 | -40.4 | 0 | 0 | 0 | 107.4 | ||||
| 4 | E | 67.4 | Low | 63 | Low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -132.7 | 64.4 | 165.6 | -163.7 | 93.2 | -142 | 0 | 0 | 108.4 | S6 | E4-S6 PolarHBondContact O-N 2.8Å; E4-S6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | G | 58.8 | Low | 63.3 | Low | 81 Ų | 81 | 132.3 Ų | 132.3 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -75.6 | 71.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G7 | G5-G7 PolarHBondContact O-N 3.22Š| ||
| 6 | S | 60.6 | Low | 63.5 | Low | 81 Ų | 81 | 132.9 Ų | 132.9 | 57% | 0.566 | 79% | 0.79 | S | S | * | * | trans | -85.4 | 87 | 171.8 | 169.1 | 0 | 0 | 0 | 0 | 109.9 | E4 K8 | E4-S6 PolarHBondContact O-N 2.8Å; E4-S6 VanDerWaalsContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 2.93Å | ||
| 7 | G | 58.6 | Low | 63.2 | Low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -59.2 | 114.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G5 | G5-G7 PolarHBondContact O-N 3.22Š| ||
| 8 | K | 60.5 | Low | 63 | Low | 192 Ų | 192 | 126.8 Ų | 126.8 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -134.8 | 72.1 | 162.1 | -81.3 | -173.3 | 174.4 | 173.6 | 0 | 108.9 | S6 | S6-K8 PolarHBondContact O-N 2.93Š| ||
| 9 | T | 62.5 | Low | 62.7 | Low | 149 Ų | 149 | 125.7 Ų | 125.7 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | trans | -113.8 | 76.2 | 160.7 | 55.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 10 | G | 61.4 | Low | 62.5 | Low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -144.3 | 66.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | A | 64.1 | Low | 62.2 | Low | 83 Ų | 83 | 126.6 Ų | 126.6 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | -132 | 76.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | D13 | A11-D13 VanDerWaalsContact C-N 3.29Å; A11-D13 PolarHBondContact O-N 3.38Å | ||
| 12 | S | 65.7 | Low | 62.3 | Low | 98 Ų | 98 | 119.8 Ų | 119.8 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -74.6 | 94.3 | 160.4 | 51.1 | 0 | 0 | 0 | 0 | 105.8 | I14 | S12-I14 PolarHBondContact O-N 3.47Š| ||
| 13 | D | 67.6 | Low | 62.2 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | -67.9 | 83.1 | 163.8 | -60.9 | -36.8 | 0 | 0 | 0 | 106.5 | A11 D15 | A11-D13 VanDerWaalsContact C-N 3.29Å; A11-D13 PolarHBondContact O-N 3.38Å; D13-D15 PolarHBondContact O-N 3.14Å; D13-D15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | I | 68.1 | Low | 62 | Low | 131 Ų | 131 | 112.7 Ų | 112.7 | 67% | 0.672 | 73% | 0.731 | S | S | * | * | trans | -72.3 | 89.6 | 157.7 | -73 | 167.5 | 0 | 0 | 0 | 103.3 | S12 D16 | S12-I14 PolarHBondContact O-N 3.47Å; I14-D16 PolarHBondContact O-N 3.35Å | ||
| 15 | D | 67.4 | Low | 61.8 | Low | 153 Ų | 153 | 111.2 Ų | 111.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -61.3 | 109.4 | 160.6 | -104.2 | -45.2 | 0 | 0 | 0 | 105.7 | D13 G17 | D13-D15 PolarHBondContact O-N 3.14Å; D13-D15 VanDerWaalsContact O-N 3.09Å; D15-G17 PolarHBondContact O-N 2.73Å | ||
| 16 | D | 66.1 | Low | 62 | Low | 141 Ų | 141 | 115.4 Ų | 115.4 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | -60.6 | 83.5 | 160.3 | -67.8 | -43.9 | 0 | 0 | 0 | 106.5 | I14 A18 | I14-D16 PolarHBondContact O-N 3.35Å; D16-A18 PolarHBondContact O-N 2.71Å | ||
| 17 | G | 58.9 | Low | 62.1 | Low | 65 Ų | 65 | 117.4 Ų | 117.4 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | trans | -63.3 | 68.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | D15 S19 | D15-G17 PolarHBondContact O-N 2.73Å; G17-S19 PolarHBondContact O-N 2.83Å | ||
| 18 | A | 59.4 | Low | 62.2 | Low | 92 Ų | 92 | 116.4 Ų | 116.4 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | trans | -65.3 | 75.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | D16 G20 | D16-A18 PolarHBondContact O-N 2.71Å; A18-G20 PolarHBondContact O-N 2.98Å | ||
| 19 | S | 57.2 | Low | 62.4 | Low | 106 Ų | 106 | 112 Ų | 112 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | trans | -56.9 | 86.5 | 150.5 | 45.7 | 0 | 0 | 0 | 0 | 105.3 | G17 Y21 | G17-S19 PolarHBondContact O-N 2.83Å; S19-Y21 PolarHBondContact O-N 2.96Å | ||
| 20 | G | 59.5 | Low | 62.4 | Low | 73 Ų | 73 | 112.4 Ų | 112.4 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | trans | -63.2 | 74.6 | 160 | 0 | 0 | 0 | 0 | 0 | 107 | A18 G22 | A18-G20 PolarHBondContact O-N 2.98Å; G20-G22 PolarHBondContact O-N 3.08Å | ||
| 21 | Y | 54.6 | Low | 62.5 | Low | 197 Ų | 197 | 111.4 Ų | 111.4 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -69.3 | 74.3 | 158.2 | -164.9 | -96.1 | 0 | 0 | 0 | 104.6 | S19 P23 | S19-Y21 PolarHBondContact O-N 2.96Å; Y21-P23 WeakPolarHBondContact O-CD 3.12Å | ||
| 22 | G | 61.4 | Low | 62.2 | Low | 57 Ų | 57 | 116.4 Ų | 116.4 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -69.9 | 111.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | G20 D24 | G20-G22 PolarHBondContact O-N 3.08Å; G22-D24 PolarHBondContact O-N 2.78Å | ||
| 23 | P | 61.3 | Low | 62.4 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | trans | -63.4 | 111.3 | 174.1 | 25.1 | -30.2 | 0 | 0 | 0 | 108 | Y21 D25 | Y21-P23 WeakPolarHBondContact O-CD 3.12Å; P23-D25 PolarHBondContact O-N 3.34Å | ||
| 24 | D | 61.3 | Low | 62.4 | Low | 119 Ų | 119 | 112 Ų | 112 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | trans | 16.7 | 81.5 | 138.3 | -29.5 | -34.5 | 0 | 0 | 0 | 113.3 | G22 E26 | G22-D24 PolarHBondContact O-N 2.78Å; D24-E26 PolarHBondContact O-N 3.14Å; D24-E26 VanDerWaalsContact O-N 3.11Å | ||
| 25 | D | 62.8 | Low | 62.6 | Low | 130 Ų | 130 | 109.9 Ų | 109.9 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 2.6 | -176.9 | 43.5 | -48.9 | 0 | 0 | 0 | 114.4 | P23 S28 | P23-D25 PolarHBondContact O-N 3.34Å; D25-S28 PolarHBondContact O-OG 3.19Å; D25-S28 VanDerWaalsContact O-OG 3.09Å |
| 26 | E | 63.1 | Low | 63.2 | Low | 169 Ų | 169 | 110.6 Ų | 110.6 | 79% | 0.79 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.1 | -21.8 | -174.7 | -62.5 | -158.3 | 171.5 | 0 | 0 | 115.2 | D24 | D24-E26 PolarHBondContact O-N 3.14Å; D24-E26 VanDerWaalsContact O-N 3.11Å |
| 27 | D | 61.9 | Low | 63.7 | Low | 123 Ų | 123 | 111.2 Ų | 111.2 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.6 | -28.7 | -178.3 | 70.2 | -23 | 0 | 0 | 0 | 113 | F30 A31 | D27-F30 PolarHBondContact O-N 2.68Å; D27-A31 PolarHBondContact O-N 3.5Å |
| 28 | S | 62.4 | Low | 64.7 | Low | 49 Ų | 49 | 112.7 Ų | 112.7 | 34% | 0.343 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.4 | -46.8 | 178.7 | 73.4 | 0 | 0 | 0 | 0 | 110.9 | D25 F30 A31 W32 | D25-S28 PolarHBondContact O-OG 3.19Å; D25-S28 VanDerWaalsContact O-OG 3.09Å; S28-F30 VanDerWaalsContact C-N 3.27Å; S28-F30 PolarHBondContact O-N 2.86Å; S28-A31 PolarHBondContact O-N 2.62Å; S28-A31 VanDerWaalsContact O-N 3.14Å; S28-W32 PolarHBondContact O-N 3.17Å |
| 29 | D | 63.1 | Low | 65.7 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -57 | -41 | 177 | -81.8 | -14.9 | 0 | 0 | 0 | 111.3 | W32 N33 | D29-W32 PolarHBondContact O-N 3.23Å; D29-N33 WeakPolarHBondContact O-CA 3.28Å; D29-N33 WeakPolarHBondContact O-CB 3.46Å; D29-N33 PolarHBondContact O-N 2.82Å; D29-N33 PolarHBondContact O-ND2 2.82Å |
| 30 | F | 64.2 | Low | 67.1 | Low | 157 Ų | 157 | 111.5 Ų | 111.5 | 69% | 0.689 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.1 | -39.8 | 179 | -168.8 | -97.7 | 0 | 0 | 0 | 112.8 | D27 S28 N33 S34 | D27-F30 PolarHBondContact O-N 2.68Å; S28-F30 VanDerWaalsContact C-N 3.27Å; S28-F30 PolarHBondContact O-N 2.86Å; F30-N33 PolarHBondContact O-N 3.28Å; F30-S34 WeakPolarHBondContact O-CB 3.42Å; F30-S34 PolarHBondContact O-N 2.95Å; F30-S34 PolarHBondContact O-OG 3.15Å |
| 31 | A | 62 | Low | 68.5 | Low | 56 Ų | 56 | 109.7 Ų | 109.7 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.1 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D27 S28 S34 C35 | D27-A31 PolarHBondContact O-N 3.5Å; S28-A31 PolarHBondContact O-N 2.62Å; S28-A31 VanDerWaalsContact O-N 3.14Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 PolarHBondContact O-OG 3.39Å; A31-C35 WeakPolarHBondContact O-CB 3.48Å; A31-C35 PolarHBondContact O-N 2.61Å |
| 32 | W | 57.8 | Low | 70.1 | Confident | 187 Ų | 187 | 104.1 Ų | 104.1 | 71% | 0.708 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -43.6 | 173.7 | -77.1 | 105.4 | 0 | 0 | 0 | 111.7 | S28 D29 S34 C35 W36 | S28-W32 PolarHBondContact O-N 3.17Å; D29-W32 PolarHBondContact O-N 3.23Å; W32-S34 VanDerWaalsContact C-N 3.32Å; W32-S34 PolarHBondContact O-N 3.16Å; W32-C35 PolarHBondContact O-N 2.54Å; W32-W36 VanDerWaalsContact O-CB 3.27Å; W32-W36 WeakPolarHBondContact O-CB 2.88Å; W32-W36 PolarHBondContact O-N 2.94Å |
| 33 | N | 69.8 | Low | 71.4 | Confident | 97 Ų | 97 | 106.7 Ų | 106.7 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.6 | -36.5 | 178.5 | -72.8 | -32.8 | 0 | 0 | 0 | 111.4 | D29 F30 F37 | D29-N33 WeakPolarHBondContact O-CA 3.28Å; D29-N33 WeakPolarHBondContact O-CB 3.46Å; D29-N33 PolarHBondContact O-N 2.82Å; D29-N33 PolarHBondContact O-ND2 2.82Å; F30-N33 PolarHBondContact O-N 3.28Å; N33-F37 WeakPolarHBondContact O-CA 2.98Å; N33-F37 WeakPolarHBondContact O-CB 3.21Å; N33-F37 PolarHBondContact O-N 2.99Å |
| 34 | S | 68.7 | Low | 72.7 | Confident | 53 Ų | 53 | 107.3 Ų | 107.3 | 37% | 0.371 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.9 | -41.2 | 174.9 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | F30 A31 W32 W36 F37 V38 | F30-S34 WeakPolarHBondContact O-CB 3.42Å; F30-S34 PolarHBondContact O-N 2.95Å; F30-S34 PolarHBondContact O-OG 3.15Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 PolarHBondContact O-OG 3.39Å; W32-S34 VanDerWaalsContact C-N 3.32Å; W32-S34 PolarHBondContact O-N 3.16Å; S34-W36 VanDerWaalsContact C-N 3.34Å; S34-W36 PolarHBondContact O-N 3.48Å; S34-F37 PolarHBondContact O-N 3.42Å; S34-V38 WeakPolarHBondContact O-CG2 3.45Å; S34-V38 PolarHBondContact O-N 2.83Å |
| 35 | C | 72.7 | Confident | 74.1 | Confident | 85 Ų | 85 | 107.5 Ų | 107.5 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.7 | -44.6 | 173 | -169.6 | 0 | 0 | 0 | 0 | 111.2 | A31 W32 V38 S39 | A31-C35 WeakPolarHBondContact O-CB 3.48Å; A31-C35 PolarHBondContact O-N 2.61Å; W32-C35 PolarHBondContact O-N 2.54Å; C35-V38 PolarHBondContact O-N 2.68Å; C35-S39 WeakPolarHBondContact O-CB 3.02Å; C35-S39 PolarHBondContact O-N 3.47Å |
| 36 | W | 78.5 | Confident | 75.5 | Confident | 169 Ų | 169 | 105 Ų | 105 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.4 | -35 | 176.6 | -159.9 | 77.6 | 0 | 0 | 0 | 112 | W32 S34 S39 F40 | W32-W36 VanDerWaalsContact O-CB 3.27Å; W32-W36 WeakPolarHBondContact O-CB 2.88Å; W32-W36 PolarHBondContact O-N 2.94Å; S34-W36 VanDerWaalsContact C-N 3.34Å; S34-W36 PolarHBondContact O-N 3.48Å; W36-S39 PolarHBondContact O-N 2.68Å; W36-F40 HydrophobicContact CD2-CB 4.32Å; W36-F40 HydrophobicContact CE3-CB 4.18Å; W36-F40 HydrophobicContact CE3-CG 4.47Å; W36-F40 AromaticContact CH2-CD2 3.56Å; W36-F40 HydrophobicContact CH2-CD2 3.56Å; W36-F40 AromaticContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CG 4.16Å; W36-F40 AromaticContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CE2 4.45Å; W36-F40 HydrophobicContact CZ3-CB 4.31Å; W36-F40 AromaticContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CG 4.1Å; W36-F40 WeakPolarHBondContact O-CA 3.24Å; W36-F40 WeakPolarHBondContact O-CB 3.36Å; W36-F40 PolarHBondContact O-N 2.81Å |
| 37 | F | 77.6 | Confident | 76.8 | Confident | 153 Ų | 153 | 101.4 Ų | 101.4 | 67% | 0.671 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 174.3 | -176.8 | -98.3 | 0 | 0 | 0 | 111.9 | N33 S34 G41 | N33-F37 WeakPolarHBondContact O-CA 2.98Å; N33-F37 WeakPolarHBondContact O-CB 3.21Å; N33-F37 PolarHBondContact O-N 2.99Å; S34-F37 PolarHBondContact O-N 3.42Å; F37-G41 WeakPolarHBondContact O-CA 3.48Å; F37-G41 PolarHBondContact O-N 2.84Å |
| 38 | V | 80.1 | Confident | 78.3 | Confident | 97 Ų | 97 | 101.3 Ų | 101.3 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -47.2 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | S34 C35 G41 V42 | S34-V38 WeakPolarHBondContact O-CG2 3.45Å; S34-V38 PolarHBondContact O-N 2.83Å; C35-V38 PolarHBondContact O-N 2.68Å; V38-G41 PolarHBondContact O-N 3.38Å; V38-V42 WeakPolarHBondContact O-CB 3.1Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.19Å; V38-V42 PolarHBondContact O-N 2.89Å |
| 39 | S | 80.4 | Confident | 79.8 | Confident | 68 Ų | 68 | 102.4 Ų | 102.4 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | -179.3 | -154.3 | 0 | 0 | 0 | 0 | 112.5 | C35 W36 V42 M43 | C35-S39 WeakPolarHBondContact O-CB 3.02Å; C35-S39 PolarHBondContact O-N 3.47Å; W36-S39 PolarHBondContact O-N 2.68Å; S39-V42 PolarHBondContact O-N 3.42Å; S39-M43 WeakPolarHBondContact O-CB 3.28Å; S39-M43 VanDerWaalsContact O-CG 3.26Å; S39-M43 WeakPolarHBondContact O-CG 3.47Å; S39-M43 PolarHBondContact O-N 3.22Å |
| 40 | F | 86 | Confident | 81.2 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 176.6 | -174.7 | -97.4 | 0 | 0 | 0 | 111.3 | W36 M43 Q44 | W36-F40 HydrophobicContact CD2-CB 4.32Å; W36-F40 HydrophobicContact CE3-CB 4.18Å; W36-F40 HydrophobicContact CE3-CG 4.47Å; W36-F40 AromaticContact CH2-CD2 3.56Å; W36-F40 HydrophobicContact CH2-CD2 3.56Å; W36-F40 AromaticContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CE2 3.94Å; W36-F40 HydrophobicContact CH2-CG 4.16Å; W36-F40 AromaticContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CD2 3.85Å; W36-F40 HydrophobicContact CZ2-CE2 4.45Å; W36-F40 HydrophobicContact CZ3-CB 4.31Å; W36-F40 AromaticContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CD2 3.98Å; W36-F40 HydrophobicContact CZ3-CG 4.1Å; W36-F40 WeakPolarHBondContact O-CA 3.24Å; W36-F40 WeakPolarHBondContact O-CB 3.36Å; W36-F40 PolarHBondContact O-N 2.81Å; F40-M43 PolarHBondContact O-N 3.45Å; F40-Q44 VanDerWaalsContact O-CB 3.25Å; F40-Q44 WeakPolarHBondContact O-CB 3.05Å; F40-Q44 PolarHBondContact O-N 2.81Å |
| 41 | G | 87.9 | Confident | 82.5 | Confident | 35 Ų | 35 | 98.7 Ų | 98.7 | 36% | 0.361 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F37 V38 Q44 F45 | F37-G41 WeakPolarHBondContact O-CA 3.48Å; F37-G41 PolarHBondContact O-N 2.84Å; V38-G41 PolarHBondContact O-N 3.38Å; G41-Q44 PolarHBondContact O-N 2.67Å; G41-F45 VanDerWaalsContact O-CB 3.29Å; G41-F45 WeakPolarHBondContact O-CB 2.83Å; G41-F45 PolarHBondContact O-N 3.26Å |
| 42 | V | 89 | Confident | 84 | Confident | 79 Ų | 79 | 99.5 Ų | 99.5 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -46 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | V38 S39 Q44 F45 I46 | V38-V42 WeakPolarHBondContact O-CB 3.1Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.19Å; V38-V42 PolarHBondContact O-N 2.89Å; S39-V42 PolarHBondContact O-N 3.42Å; V42-Q44 PolarHBondContact O-N 3.48Å; V42-F45 PolarHBondContact O-N 2.83Å; V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.41Å; V42-I46 VanDerWaalsContact O-CG1 3.23Å; V42-I46 WeakPolarHBondContact O-CG1 3.33Å; V42-I46 PolarHBondContact O-N 3.3Å |
| 43 | M | 88.4 | Confident | 85.7 | Confident | 112 Ų | 112 | 95.7 Ų | 95.7 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 177.6 | -77.1 | -71.4 | -95.4 | 0 | 0 | 112.2 | S39 F40 I46 I47 | S39-M43 WeakPolarHBondContact O-CB 3.28Å; S39-M43 VanDerWaalsContact O-CG 3.26Å; S39-M43 WeakPolarHBondContact O-CG 3.47Å; S39-M43 PolarHBondContact O-N 3.22Å; F40-M43 PolarHBondContact O-N 3.45Å; M43-I46 PolarHBondContact O-N 3.1Å; M43-I47 WeakPolarHBondContact O-CB 3.14Å; M43-I47 WeakPolarHBondContact O-CD1 3.34Å; M43-I47 WeakPolarHBondContact O-CG1 3.29Å; M43-I47 PolarHBondContact O-N 2.84Å |
| 44 | Q | 89.4 | Confident | 86.8 | Confident | 110 Ų | 110 | 95.5 Ų | 95.5 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 178.6 | -158.4 | -99.9 | 38.2 | 0 | 0 | 111.1 | F40 G41 V42 I47 F48 | F40-Q44 VanDerWaalsContact O-CB 3.25Å; F40-Q44 WeakPolarHBondContact O-CB 3.05Å; F40-Q44 PolarHBondContact O-N 2.81Å; G41-Q44 PolarHBondContact O-N 2.67Å; V42-Q44 PolarHBondContact O-N 3.48Å; Q44-I47 PolarHBondContact O-N 3.45Å; Q44-F48 WeakPolarHBondContact O-CB 3.03Å; Q44-F48 PolarHBondContact O-N 2.93Å |
| 45 | F | 91.2 | Very high | 87.9 | Confident | 123 Ų | 123 | 97 Ų | 97 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.2 | -175.2 | -98.7 | 0 | 0 | 0 | 112 | G41 V42 F48 M49 | G41-F45 VanDerWaalsContact O-CB 3.29Å; G41-F45 WeakPolarHBondContact O-CB 2.83Å; G41-F45 PolarHBondContact O-N 3.26Å; V42-F45 PolarHBondContact O-N 2.83Å; F45-F48 PolarHBondContact O-N 2.77Å; F45-M49 HydrophobicContact CD1-CG 4.2Å; F45-M49 HydrophobicContact CE1-CG 3.88Å; F45-M49 HydrophobicContact CE2-CE 3.88Å; F45-M49 HydrophobicContact CZ-CE 3.83Å; F45-M49 HydrophobicContact CZ-CG 4.12Å; F45-M49 HydrophobicContact CZ-SD 4.3Å; F45-M49 WeakPolarHBondContact O-CB 3.49Å; F45-M49 VanDerWaalsContact O-CG 3.27Å; F45-M49 WeakPolarHBondContact O-CG 2.86Å; F45-M49 PolarHBondContact O-N 3.48Å |
| 46 | I | 91 | Very high | 88.9 | Confident | 78 Ų | 78 | 95.7 Ų | 95.7 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.1 | -68.5 | 165.2 | 0 | 0 | 0 | 110.7 | V42 M43 F48 M49 I50 | V42-I46 HydrophobicContact CG1-CD1 3.71Å; V42-I46 HydrophobicContact CG1-CG1 4.41Å; V42-I46 VanDerWaalsContact O-CG1 3.23Å; V42-I46 WeakPolarHBondContact O-CG1 3.33Å; V42-I46 PolarHBondContact O-N 3.3Å; M43-I46 PolarHBondContact O-N 3.1Å; I46-F48 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 3.47Å; I46-M49 PolarHBondContact O-N 3.38Å; I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.47Å; I46-I50 VanDerWaalsContact O-CG1 3.32Å; I46-I50 WeakPolarHBondContact O-CG1 3.19Å; I46-I50 PolarHBondContact O-N 3.4Å |
| 47 | I | 91.7 | Very high | 89.6 | Confident | 92 Ų | 92 | 92.3 Ų | 92.3 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 177.5 | -69.5 | 163.2 | 0 | 0 | 0 | 110.7 | M43 Q44 M49 I50 I51 | M43-I47 WeakPolarHBondContact O-CB 3.14Å; M43-I47 WeakPolarHBondContact O-CD1 3.34Å; M43-I47 WeakPolarHBondContact O-CG1 3.29Å; M43-I47 PolarHBondContact O-N 2.84Å; Q44-I47 PolarHBondContact O-N 3.45Å; I47-M49 VanDerWaalsContact C-N 3.34Å; I47-M49 PolarHBondContact O-N 2.95Å; I47-I50 PolarHBondContact O-N 3.32Å; I47-I51 HydrophobicContact CG2-CD1 3.83Å; I47-I51 WeakPolarHBondContact O-CG1 3.29Å; I47-I51 PolarHBondContact O-N 3.48Å |
| 48 | F | 91.9 | Very high | 90.4 | Very high | 121 Ų | 121 | 90.4 Ų | 90.4 | 53% | 0.531 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.8 | -169.3 | -108.1 | 0 | 0 | 0 | 111.6 | Q44 F45 I46 I51 I52 | Q44-F48 WeakPolarHBondContact O-CB 3.03Å; Q44-F48 PolarHBondContact O-N 2.93Å; F45-F48 PolarHBondContact O-N 2.77Å; I46-F48 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 3.47Å; F48-I51 PolarHBondContact O-N 2.74Å; F48-I52 HydrophobicContact CD1-CD1 3.5Å; F48-I52 HydrophobicContact CD1-CG1 4.42Å; F48-I52 HydrophobicContact CE1-CD1 3.37Å; F48-I52 HydrophobicContact CE1-CG1 4.28Å; F48-I52 HydrophobicContact CG-CD1 4.32Å; F48-I52 HydrophobicContact CZ-CD1 4.07Å; F48-I52 VanDerWaalsContact O-CG1 3.3Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.19Å |
| 49 | M | 94.1 | Very high | 91.1 | Very high | 72 Ų | 72 | 87.4 Ų | 87.4 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.8 | -72.2 | -68.7 | 127.5 | 0 | 0 | 112.4 | F45 I46 I47 I51 I52 I53 | F45-M49 HydrophobicContact CD1-CG 4.2Å; F45-M49 HydrophobicContact CE1-CG 3.88Å; F45-M49 HydrophobicContact CE2-CE 3.88Å; F45-M49 HydrophobicContact CZ-CE 3.83Å; F45-M49 HydrophobicContact CZ-CG 4.12Å; F45-M49 HydrophobicContact CZ-SD 4.3Å; F45-M49 WeakPolarHBondContact O-CB 3.49Å; F45-M49 VanDerWaalsContact O-CG 3.27Å; F45-M49 WeakPolarHBondContact O-CG 2.86Å; F45-M49 PolarHBondContact O-N 3.48Å; I46-M49 PolarHBondContact O-N 3.38Å; I47-M49 VanDerWaalsContact C-N 3.34Å; I47-M49 PolarHBondContact O-N 2.95Å; M49-I51 PolarHBondContact O-N 3Å; M49-I52 HydrophobicContact CE-CD1 3.95Å; M49-I52 PolarHBondContact O-N 2.69Å; M49-I53 VanDerWaalsContact O-CG1 3.31Å; M49-I53 WeakPolarHBondContact O-CG1 3.47Å; M49-I53 PolarHBondContact O-N 3.09Å |
| 50 | I | 92.2 | Very high | 91.8 | Very high | 96 Ų | 96 | 86.1 Ų | 86.1 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 177.3 | -68.8 | 165.6 | 0 | 0 | 0 | 110.7 | I46 I47 I52 I53 I54 | I46-I50 HydrophobicContact CG2-CD1 3.83Å; I46-I50 HydrophobicContact CG2-CG1 4.47Å; I46-I50 VanDerWaalsContact O-CG1 3.32Å; I46-I50 WeakPolarHBondContact O-CG1 3.19Å; I46-I50 PolarHBondContact O-N 3.4Å; I47-I50 PolarHBondContact O-N 3.32Å; I50-I52 VanDerWaalsContact C-N 3.31Å; I50-I52 PolarHBondContact O-N 2.85Å; I50-I53 PolarHBondContact O-N 3.2Å; I50-I54 PolarHBondContact O-N 3.47Å; I50-I54 VanDerWaalsContact O-N 3.09Å |
| 51 | I | 93.1 | Very high | 92.2 | Very high | 85 Ų | 85 | 84.5 Ų | 84.5 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 178.4 | -67 | 168 | 0 | 0 | 0 | 111 | I47 F48 M49 I53 I54 T55 | I47-I51 HydrophobicContact CG2-CD1 3.83Å; I47-I51 WeakPolarHBondContact O-CG1 3.29Å; I47-I51 PolarHBondContact O-N 3.48Å; F48-I51 PolarHBondContact O-N 2.74Å; M49-I51 PolarHBondContact O-N 3Å; I51-I53 PolarHBondContact O-N 3.39Å; I51-I54 WeakPolarHBondContact O-CG1 2.88Å; I51-T55 VanDerWaalsContact O-CB 3.26Å; I51-T55 WeakPolarHBondContact O-CB 3.31Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.27Å |
| 52 | I | 91.6 | Very high | 92.6 | Very high | 73 Ų | 73 | 86.9 Ų | 86.9 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 175.5 | -72.5 | 163.6 | 0 | 0 | 0 | 110.6 | F48 M49 I50 T55 A56 | F48-I52 HydrophobicContact CD1-CD1 3.5Å; F48-I52 HydrophobicContact CD1-CG1 4.42Å; F48-I52 HydrophobicContact CE1-CD1 3.37Å; F48-I52 HydrophobicContact CE1-CG1 4.28Å; F48-I52 HydrophobicContact CG-CD1 4.32Å; F48-I52 HydrophobicContact CZ-CD1 4.07Å; F48-I52 VanDerWaalsContact O-CG1 3.3Å; F48-I52 WeakPolarHBondContact O-CG1 3.38Å; F48-I52 PolarHBondContact O-N 3.19Å; M49-I52 HydrophobicContact CE-CD1 3.95Å; M49-I52 PolarHBondContact O-N 2.69Å; I50-I52 VanDerWaalsContact C-N 3.31Å; I50-I52 PolarHBondContact O-N 2.85Å; I52-T55 PolarHBondContact O-N 2.96Å; I52-A56 VanDerWaalsContact O-CB 3.23Å; I52-A56 WeakPolarHBondContact O-CB 3.25Å; I52-A56 PolarHBondContact O-N 2.79Å |
| 53 | I | 93.5 | Very high | 93 | Very high | 107 Ų | 107 | 87.4 Ų | 87.4 | 55% | 0.549 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | -176.3 | -66.1 | 164 | 0 | 0 | 0 | 110.8 | M49 I50 I51 T55 A56 V57 | M49-I53 VanDerWaalsContact O-CG1 3.31Å; M49-I53 WeakPolarHBondContact O-CG1 3.47Å; M49-I53 PolarHBondContact O-N 3.09Å; I50-I53 PolarHBondContact O-N 3.2Å; I51-I53 PolarHBondContact O-N 3.39Å; I53-T55 VanDerWaalsContact C-N 3.27Å; I53-T55 PolarHBondContact O-N 3.06Å; I53-A56 PolarHBondContact O-N 3.36Å; I53-V57 WeakPolarHBondContact O-CG2 3.17Å; I53-V57 PolarHBondContact O-N 3.44Å |
| 54 | I | 93.7 | Very high | 93.3 | Very high | 92 Ų | 92 | 83.8 Ų | 83.8 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 178.1 | 64.3 | 178.1 | 0 | 0 | 0 | 111.1 | I50 I51 V57 I58 | I50-I54 PolarHBondContact O-N 3.47Å; I50-I54 VanDerWaalsContact O-N 3.09Å; I51-I54 WeakPolarHBondContact O-CG1 2.88Å; I54-V57 PolarHBondContact O-N 2.76Å; I54-I58 VanDerWaalsContact O-CG1 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 2.78Å |
| 55 | T | 92.8 | Very high | 93.7 | Very high | 84 Ų | 84 | 83.7 Ų | 83.7 | 52% | 0.515 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | I51 I52 I53 I58 G59 | I51-T55 VanDerWaalsContact O-CB 3.26Å; I51-T55 WeakPolarHBondContact O-CB 3.31Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.27Å; I52-T55 PolarHBondContact O-N 2.96Å; I53-T55 VanDerWaalsContact C-N 3.27Å; I53-T55 PolarHBondContact O-N 3.06Å; T55-I58 PolarHBondContact O-N 2.99Å; T55-G59 WeakPolarHBondContact O-CA 3.35Å; T55-G59 PolarHBondContact O-N 3.36Å |
| 56 | A | 92.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 82.9 Ų | 82.9 | 49% | 0.488 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I52 I53 G60 | I52-A56 VanDerWaalsContact O-CB 3.23Å; I52-A56 WeakPolarHBondContact O-CB 3.25Å; I52-A56 PolarHBondContact O-N 2.79Å; I53-A56 PolarHBondContact O-N 3.36Å; A56-G60 WeakPolarHBondContact O-CA 3.23Å; A56-G60 PolarHBondContact O-N 3.5Å |
| 57 | V | 93.8 | Very high | 94.1 | Very high | 98 Ų | 98 | 82.6 Ų | 82.6 | 59% | 0.594 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.3 | -47.3 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | I53 I54 S61 | I53-V57 WeakPolarHBondContact O-CG2 3.17Å; I53-V57 PolarHBondContact O-N 3.44Å; I54-V57 PolarHBondContact O-N 2.76Å; V57-S61 VanDerWaalsContact O-CB 3.23Å; V57-S61 WeakPolarHBondContact O-CB 3.14Å; V57-S61 PolarHBondContact O-N 2.69Å; V57-S61 PolarHBondContact O-OG 3.5Å |
| 58 | I | 94.7 | Very high | 94.2 | Very high | 113 Ų | 113 | 80 Ų | 80 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -54 | -179 | -63 | 164.6 | 0 | 0 | 0 | 110 | I54 T55 G60 S61 V62 | I54-I58 VanDerWaalsContact O-CG1 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.28Å; I54-I58 PolarHBondContact O-N 2.78Å; T55-I58 PolarHBondContact O-N 2.99Å; I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-N 3.05Å; I58-S61 PolarHBondContact O-OG 3.06Å; I58-V62 PolarHBondContact O-N 2.94Å |
| 59 | G | 94.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 78.3 Ų | 78.3 | 35% | 0.351 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T55 S61 V62 V63 | T55-G59 WeakPolarHBondContact O-CA 3.35Å; T55-G59 PolarHBondContact O-N 3.36Å; G59-S61 VanDerWaalsContact C-N 3.34Å; G59-S61 PolarHBondContact O-N 3.28Å; G59-V62 PolarHBondContact O-N 3.3Å; G59-V63 WeakPolarHBondContact O-CB 3.36Å; G59-V63 VanDerWaalsContact O-CG2 3.29Å; G59-V63 WeakPolarHBondContact O-CG2 3.3Å; G59-V63 PolarHBondContact O-N 2.97Å |
| 60 | G | 94.6 | Very high | 94 | Very high | 41 Ų | 41 | 80.6 Ų | 80.6 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -33.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A56 I58 G64 | A56-G60 WeakPolarHBondContact O-CA 3.23Å; A56-G60 PolarHBondContact O-N 3.5Å; I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.21Å; G60-G64 VanDerWaalsContact O-CA 3.28Å; G60-G64 WeakPolarHBondContact O-CA 3.46Å; G60-G64 PolarHBondContact O-N 3.43Å |
| 61 | S | 95.2 | Very high | 93.8 | Very high | 71 Ų | 71 | 80.7 Ų | 80.7 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.4 | 73.8 | 0 | 0 | 0 | 0 | 112 | V57 I58 G59 L65 | V57-S61 VanDerWaalsContact O-CB 3.23Å; V57-S61 WeakPolarHBondContact O-CB 3.14Å; V57-S61 PolarHBondContact O-N 2.69Å; V57-S61 PolarHBondContact O-OG 3.5Å; I58-S61 PolarHBondContact O-N 3.05Å; I58-S61 PolarHBondContact O-OG 3.06Å; G59-S61 VanDerWaalsContact C-N 3.34Å; G59-S61 PolarHBondContact O-N 3.28Å; S61-L65 WeakPolarHBondContact O-CB 3.29Å; S61-L65 PolarHBondContact O-N 3.26Å |
| 62 | V | 96.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 81.9 Ų | 81.9 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.5 | -50.2 | 179 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | I58 G59 L65 L66 | I58-V62 PolarHBondContact O-N 2.94Å; G59-V62 PolarHBondContact O-N 3.3Å; V62-L65 PolarHBondContact O-N 2.89Å; V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 3.28Å; V62-L66 VanDerWaalsContact O-N 3.1Å |
| 63 | V | 96.3 | Very high | 93.4 | Very high | 90 Ų | 90 | 82.3 Ų | 82.3 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 178 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | G59 L65 L66 V67 | G59-V63 WeakPolarHBondContact O-CB 3.36Å; G59-V63 VanDerWaalsContact O-CG2 3.29Å; G59-V63 WeakPolarHBondContact O-CG2 3.3Å; G59-V63 PolarHBondContact O-N 2.97Å; V63-L65 PolarHBondContact O-N 3.32Å; V63-L66 PolarHBondContact O-N 3.47Å; V63-V67 HydrophobicContact CG1-CG2 4.42Å; V63-V67 VanDerWaalsContact O-CG2 3.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 3.32Å |
| 64 | G | 96.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 81 Ų | 81 | 38% | 0.381 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | G60 V67 A68 | G60-G64 VanDerWaalsContact O-CA 3.28Å; G60-G64 WeakPolarHBondContact O-CA 3.46Å; G60-G64 PolarHBondContact O-N 3.43Å; G64-V67 PolarHBondContact O-N 3.46Å; G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 2.9Å |
| 65 | L | 95.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 79.9 Ų | 79.9 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.1 | -43.4 | 175 | -176 | 64.9 | 0 | 0 | 0 | 111.4 | S61 V62 V63 A68 I69 | S61-L65 WeakPolarHBondContact O-CB 3.29Å; S61-L65 PolarHBondContact O-N 3.26Å; V62-L65 PolarHBondContact O-N 2.89Å; V63-L65 PolarHBondContact O-N 3.32Å; L65-A68 PolarHBondContact O-N 2.93Å; L65-I69 HydrophobicContact CD1-CD1 4.36Å; L65-I69 HydrophobicContact CG-CD1 4.04Å; L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.32Å; L65-I69 PolarHBondContact O-N 2.9Å |
| 66 | L | 96.2 | Very high | 91.9 | Very high | 105 Ų | 105 | 80 Ų | 80 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.5 | -67.8 | 174.1 | 0 | 0 | 0 | 111.3 | V62 V63 A68 I69 L70 | V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 3.28Å; V62-L66 VanDerWaalsContact O-N 3.1Å; V63-L66 PolarHBondContact O-N 3.47Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.35Å; L66-I69 PolarHBondContact O-N 3.33Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 3.45Å |
| 67 | V | 95.3 | Very high | 91.2 | Very high | 72 Ų | 72 | 82.9 Ų | 82.9 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | V63 G64 L70 L71 | V63-V67 HydrophobicContact CG1-CG2 4.42Å; V63-V67 VanDerWaalsContact O-CG2 3.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.36Å; V63-V67 PolarHBondContact O-N 3.32Å; G64-V67 PolarHBondContact O-N 3.46Å; V67-L70 PolarHBondContact O-N 2.93Å; V67-L71 HydrophobicContact CG1-CD1 4.22Å; V67-L71 HydrophobicContact CG1-CG 4.39Å; V67-L71 WeakPolarHBondContact O-CB 3.26Å; V67-L71 WeakPolarHBondContact O-CG 3.1Å; V67-L71 PolarHBondContact O-N 2.82Å |
| 68 | A | 94.7 | Very high | 90.1 | Very high | 39 Ų | 39 | 83.1 Ų | 83.1 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G64 L65 L66 L70 L71 I72 | G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 2.9Å; L65-A68 PolarHBondContact O-N 2.93Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.35Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.35Å; A68-L71 PolarHBondContact O-N 3.49Å; A68-I72 WeakPolarHBondContact O-CD1 3.48Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.2Å; A68-I72 PolarHBondContact O-N 2.86Å |
| 69 | I | 92.6 | Very high | 88.7 | Confident | 85 Ų | 85 | 84.7 Ų | 84.7 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.6 | -65.7 | 163.4 | 0 | 0 | 0 | 110.4 | L65 L66 I72 T73 | L65-I69 HydrophobicContact CD1-CD1 4.36Å; L65-I69 HydrophobicContact CG-CD1 4.04Å; L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.32Å; L65-I69 PolarHBondContact O-N 2.9Å; L66-I69 PolarHBondContact O-N 3.33Å; I69-I72 PolarHBondContact O-N 3.49Å; I69-T73 VanDerWaalsContact O-CB 3.29Å; I69-T73 WeakPolarHBondContact O-CB 3.23Å; I69-T73 PolarHBondContact O-N 2.9Å; I69-T73 PolarHBondContact O-OG1 2.79Å |
| 70 | L | 88.4 | Confident | 87.2 | Confident | 120 Ų | 120 | 93.1 Ų | 93.1 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 174.3 | -73.9 | 175 | 0 | 0 | 0 | 111.5 | L66 V67 A68 L74 | L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 3.45Å; V67-L70 PolarHBondContact O-N 2.93Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.35Å; L70-L74 VanDerWaalsContact O-CA 3.31Å; L70-L74 WeakPolarHBondContact O-CA 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 PolarHBondContact O-N 2.92Å |
| 71 | L | 88.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 94.9 Ų | 94.9 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 176.6 | -75.6 | 177.8 | 0 | 0 | 0 | 112.2 | V67 A68 L74 V75 | V67-L71 HydrophobicContact CG1-CD1 4.22Å; V67-L71 HydrophobicContact CG1-CG 4.39Å; V67-L71 WeakPolarHBondContact O-CB 3.26Å; V67-L71 WeakPolarHBondContact O-CG 3.1Å; V67-L71 PolarHBondContact O-N 2.82Å; A68-L71 PolarHBondContact O-N 3.49Å; L71-L74 CarbonylContact O-C 3.54Å; L71-L74 PolarHBondContact O-N 3.44Å; L71-V75 WeakPolarHBondContact O-CA 3.32Å; L71-V75 WeakPolarHBondContact O-CB 3.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 3.47Å |
| 72 | I | 90.2 | Very high | 83.5 | Confident | 110 Ų | 110 | 95.2 Ų | 95.2 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -51.5 | 175.6 | -68.3 | 161.3 | 0 | 0 | 0 | 109.5 | A68 I69 L74 V75 V76 | A68-I72 WeakPolarHBondContact O-CD1 3.48Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.2Å; A68-I72 PolarHBondContact O-N 2.86Å; I69-I72 PolarHBondContact O-N 3.49Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.69Å; I72-V75 PolarHBondContact O-N 3.32Å; I72-V75 VanDerWaalsContact O-N 3.15Å; I72-V76 WeakPolarHBondContact O-CB 3.49Å; I72-V76 WeakPolarHBondContact O-CG2 3.3Å; I72-V76 PolarHBondContact O-N 3.49Å |
| 73 | T | 85.7 | Confident | 81.4 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.2 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | I69 V75 V76 Y77 | I69-T73 VanDerWaalsContact O-CB 3.29Å; I69-T73 WeakPolarHBondContact O-CB 3.23Å; I69-T73 PolarHBondContact O-N 2.9Å; I69-T73 PolarHBondContact O-OG1 2.79Å; T73-V75 PolarHBondContact O-N 2.96Å; T73-V76 PolarHBondContact O-N 3.31Å; T73-Y77 WeakPolarHBondContact O-CA 3.34Å; T73-Y77 WeakPolarHBondContact O-CB 3.23Å; T73-Y77 PolarHBondContact O-N 3.44Å |
| 74 | L | 81 | Confident | 79.6 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 176 | -177.5 | 156.2 | 0 | 0 | 0 | 110.3 | L70 L71 I72 Y77 R78 | L70-L74 VanDerWaalsContact O-CA 3.31Å; L70-L74 WeakPolarHBondContact O-CA 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 PolarHBondContact O-N 2.92Å; L71-L74 CarbonylContact O-C 3.54Å; L71-L74 PolarHBondContact O-N 3.44Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.69Å; L74-Y77 CarbonylContact O-C 3.35Å; L74-R78 HydrophobicContact CD2-CB 4.31Å; L74-R78 HydrophobicContact CD2-CG 3.42Å; L74-R78 VanDerWaalsContact CD2-CG 3.42Å; L74-R78 HydrophobicContact CG-CG 3.97Å; L74-R78 VanDerWaalsContact O-CA 3.28Å; L74-R78 WeakPolarHBondContact O-CA 3.25Å; L74-R78 WeakPolarHBondContact O-CB 3.29Å; L74-R78 WeakPolarHBondContact O-CG 3.44Å; L74-R78 PolarHBondContact O-N 2.77Å |
| 75 | V | 85.2 | Confident | 77.6 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.1 | -44.6 | 179.2 | 165.4 | 0 | 0 | 0 | 0 | 110.4 | L71 I72 T73 R78 M79 | L71-V75 WeakPolarHBondContact O-CA 3.32Å; L71-V75 WeakPolarHBondContact O-CB 3.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 3.47Å; I72-V75 PolarHBondContact O-N 3.32Å; I72-V75 VanDerWaalsContact O-N 3.15Å; T73-V75 PolarHBondContact O-N 2.96Å; V75-R78 CarbonylContact O-C 3.57Å; V75-R78 PolarHBondContact O-N 2.95Å; V75-M79 HydrophobicContact CG1-SD 4.39Å; V75-M79 WeakPolarHBondContact O-CB 3.45Å; V75-M79 VanDerWaalsContact O-CG 3.28Å; V75-M79 WeakPolarHBondContact O-CG 3.48Å; V75-M79 PolarHBondContact O-N 2.94Å |
| 76 | V | 81.9 | Confident | 75.4 | Confident | 88 Ų | 88 | 98.5 Ų | 98.5 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | I72 T73 R78 M79 R80 | I72-V76 WeakPolarHBondContact O-CB 3.49Å; I72-V76 WeakPolarHBondContact O-CG2 3.3Å; I72-V76 PolarHBondContact O-N 3.49Å; T73-V76 PolarHBondContact O-N 3.31Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 2.77Å; V76-M79 CarbonylContact O-C 3.48Å; V76-M79 PolarHBondContact O-N 2.81Å; V76-M79 VanDerWaalsContact O-N 3.14Å; V76-R80 WeakPolarHBondContact O-CB 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.42Å; V76-R80 PolarHBondContact O-N 3.31Å |
| 77 | Y | 77.5 | Confident | 73 | Confident | 118 Ų | 118 | 102.5 Ų | 102.5 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 174.7 | 179.1 | -98.1 | 0 | 0 | 0 | 110.5 | T73 L74 R80 K81 | T73-Y77 WeakPolarHBondContact O-CA 3.34Å; T73-Y77 WeakPolarHBondContact O-CB 3.23Å; T73-Y77 PolarHBondContact O-N 3.44Å; L74-Y77 CarbonylContact O-C 3.35Å; Y77-R80 CarbonylContact O-C 3.59Å; Y77-R80 WeakPolarHBondContact O-CA 3Å; Y77-R80 PolarHBondContact O-N 2.87Å; Y77-R80 VanDerWaalsContact O-N 3.17Å; Y77-K81 HydrophobicContact CD1-CB 4.23Å; Y77-K81 HydrophobicContact CD2-CD 4.18Å; Y77-K81 HydrophobicContact CD2-CG 4.17Å; Y77-K81 HydrophobicContact CE1-CB 4Å; Y77-K81 HydrophobicContact CE1-CD 4.06Å; Y77-K81 HydrophobicContact CE1-CG 4.33Å; Y77-K81 HydrophobicContact CE2-CB 4.47Å; Y77-K81 HydrophobicContact CE2-CD 3.43Å; Y77-K81 VanDerWaalsContact CE2-CD 3.43Å; Y77-K81 HydrophobicContact CE2-CG 3.91Å; Y77-K81 VanDerWaalsContact O-CA 3.29Å; Y77-K81 WeakPolarHBondContact O-CA 3.32Å; Y77-K81 WeakPolarHBondContact O-CB 3.36Å; Y77-K81 PolarHBondContact O-N 2.72Å; Y77-K81 WeakPolarHBondContact OH-CD 3.5Å; Y77-K81 PolarHBondContact OH-NZ 2.89Å |
| 78 | R | 72.8 | Confident | 70.9 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 39% | 0.389 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 173.5 | -87.5 | -65.6 | -124.9 | 129.7 | -9.5 | 108.6 | L74 V75 V76 R80 K81 K82 | L74-R78 HydrophobicContact CD2-CB 4.31Å; L74-R78 HydrophobicContact CD2-CG 3.42Å; L74-R78 VanDerWaalsContact CD2-CG 3.42Å; L74-R78 HydrophobicContact CG-CG 3.97Å; L74-R78 VanDerWaalsContact O-CA 3.28Å; L74-R78 WeakPolarHBondContact O-CA 3.25Å; L74-R78 WeakPolarHBondContact O-CB 3.29Å; L74-R78 WeakPolarHBondContact O-CG 3.44Å; L74-R78 PolarHBondContact O-N 2.77Å; V75-R78 CarbonylContact O-C 3.57Å; V75-R78 PolarHBondContact O-N 2.95Å; V76-R78 VanDerWaalsContact C-N 3.33Å; V76-R78 PolarHBondContact O-N 2.77Å; R78-R80 PolarHBondContact O-N 3.45Å; R78-K81 CarbonylContact O-C 3.59Å; R78-K81 PolarHBondContact O-N 3.39Å; R78-K82 VanDerWaalsContact CA-CG 3.43Å; R78-K82 HydrophobicContact CB-CB 4.34Å; R78-K82 HydrophobicContact CB-CD 3.71Å; R78-K82 HydrophobicContact CB-CG 3.12Å; R78-K82 VanDerWaalsContact CB-NZ 3.33Å; R78-K82 VanDerWaalsContact CD-CE 3.49Å; R78-K82 HydrophobicContact CG-CD 4Å; R78-K82 HydrophobicContact CG-CG 3.67Å; R78-K82 VanDerWaalsContact NE-CE 3.32Å; R78-K82 WeakPolarHBondContact O-CA 3.27Å; R78-K82 WeakPolarHBondContact O-CB 3.39Å; R78-K82 WeakPolarHBondContact O-CG 3.47Å; R78-K82 PolarHBondContact O-N 3.09Å |
| 79 | M | 63.5 | Low | 68.8 | Low | 147 Ų | 147 | 108 Ų | 108 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -25.1 | 174.2 | -73 | -179 | 72.8 | 0 | 0 | 112.2 | V75 V76 | V75-M79 HydrophobicContact CG1-SD 4.39Å; V75-M79 WeakPolarHBondContact O-CB 3.45Å; V75-M79 VanDerWaalsContact O-CG 3.28Å; V75-M79 WeakPolarHBondContact O-CG 3.48Å; V75-M79 PolarHBondContact O-N 2.94Å; V76-M79 CarbonylContact O-C 3.48Å; V76-M79 PolarHBondContact O-N 2.81Å; V76-M79 VanDerWaalsContact O-N 3.14Å |
| 80 | R | 62.8 | Low | 66.6 | Low | 211 Ų | 211 | 110.4 Ų | 110.4 | 80% | 0.796 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -86.9 | -22.1 | 172.2 | -75.2 | -86.4 | -179.7 | 143.7 | -3.5 | 113.9 | V76 Y77 R78 | V76-R80 WeakPolarHBondContact O-CB 3.25Å; V76-R80 WeakPolarHBondContact O-CG 3.42Å; V76-R80 PolarHBondContact O-N 3.31Å; Y77-R80 CarbonylContact O-C 3.59Å; Y77-R80 WeakPolarHBondContact O-CA 3Å; Y77-R80 PolarHBondContact O-N 2.87Å; Y77-R80 VanDerWaalsContact O-N 3.17Å; R78-R80 PolarHBondContact O-N 3.45Å |
| 81 | K | 58.7 | Low | 64.7 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 34% | 0.335 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -145 | 3.9 | -167.4 | -57.6 | -145.5 | -162.9 | 171 | 0 | 116.2 | Y77 R78 D83 E84 | Y77-K81 HydrophobicContact CD1-CB 4.23Å; Y77-K81 HydrophobicContact CD2-CD 4.18Å; Y77-K81 HydrophobicContact CD2-CG 4.17Å; Y77-K81 HydrophobicContact CE1-CB 4Å; Y77-K81 HydrophobicContact CE1-CD 4.06Å; Y77-K81 HydrophobicContact CE1-CG 4.33Å; Y77-K81 HydrophobicContact CE2-CB 4.47Å; Y77-K81 HydrophobicContact CE2-CD 3.43Å; Y77-K81 VanDerWaalsContact CE2-CD 3.43Å; Y77-K81 HydrophobicContact CE2-CG 3.91Å; Y77-K81 VanDerWaalsContact O-CA 3.29Å; Y77-K81 WeakPolarHBondContact O-CA 3.32Å; Y77-K81 WeakPolarHBondContact O-CB 3.36Å; Y77-K81 PolarHBondContact O-N 2.72Å; Y77-K81 WeakPolarHBondContact OH-CD 3.5Å; Y77-K81 PolarHBondContact OH-NZ 2.89Å; R78-K81 CarbonylContact O-C 3.59Å; R78-K81 PolarHBondContact O-N 3.39Å; K81-D83 PolarHBondContact O-N 3.14Å; K81-D83 VanDerWaalsContact O-N 3.16Å; K81-E84 PolarHBondContact O-N 3.27Å |
| 82 | K | 53.7 | Low | 62.5 | Low | 79 Ų | 79 | 113.5 Ų | 113.5 | 34% | 0.343 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57.2 | -25.8 | 168.7 | -74.9 | -130.7 | 155.5 | 87.1 | 0 | 108.4 | R78 E84 S86 | R78-K82 VanDerWaalsContact CA-CG 3.43Å; R78-K82 HydrophobicContact CB-CB 4.34Å; R78-K82 HydrophobicContact CB-CD 3.71Å; R78-K82 HydrophobicContact CB-CG 3.12Å; R78-K82 VanDerWaalsContact CB-NZ 3.33Å; R78-K82 VanDerWaalsContact CD-CE 3.49Å; R78-K82 HydrophobicContact CG-CD 4Å; R78-K82 HydrophobicContact CG-CG 3.67Å; R78-K82 VanDerWaalsContact NE-CE 3.32Å; R78-K82 WeakPolarHBondContact O-CA 3.27Å; R78-K82 WeakPolarHBondContact O-CB 3.39Å; R78-K82 WeakPolarHBondContact O-CG 3.47Å; R78-K82 PolarHBondContact O-N 3.09Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-S86 PolarHBondContact O-N 2.87Å |
| 83 | D | 53 | Low | 60.4 | Low | 130 Ų | 130 | 117.1 Ų | 117.1 | 70% | 0.695 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.1 | -12.7 | 178.1 | -53.1 | -20.6 | 0 | 0 | 0 | 112.7 | K81 | K81-D83 PolarHBondContact O-N 3.14Å; K81-D83 VanDerWaalsContact O-N 3.16Å |
| 84 | E | 58.9 | Low | 58.6 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 54% | 0.542 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -94.4 | -26.1 | 176.4 | -66.3 | -176 | -171 | 0 | 0 | 113.2 | K81 K82 Y87 | K81-E84 PolarHBondContact O-N 3.27Å; K82-E84 VanDerWaalsContact C-N 3.32Å; E84-Y87 WeakPolarHBondContact O-CD2 3.35Å; E84-Y87 WeakPolarHBondContact O-CE2 3.1Å |
| 85 | G | 54.2 | Low | 56.8 | Low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -101.8 | -24.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y87 | G85-Y87 VanDerWaalsContact C-N 3.34Å |
| 86 | S | 48.4 | Very low | 54.9 | Low | 68 Ų | 68 | 123.4 Ų | 123.4 | 48% | 0.476 | 65% | 0.645 | S | S | . | * | trans | -102.5 | 60.3 | 169.5 | -166.9 | 0 | 0 | 0 | 0 | 109 | K82 A88 | K82-S86 PolarHBondContact O-N 2.87Å; S86-A88 PolarHBondContact O-N 3.18Å | ||
| 87 | Y | 47.2 | Very low | 53.1 | Low | 189 Ų | 189 | 121.8 Ų | 121.8 | 74% | 0.741 | 64% | 0.641 | S | S | * | * | trans | -63.1 | 55.1 | 139.4 | -64.8 | -82.5 | 0 | 0 | 0 | 108.5 | E84 G85 L89 | E84-Y87 WeakPolarHBondContact O-CD2 3.35Å; E84-Y87 WeakPolarHBondContact O-CE2 3.1Å; G85-Y87 VanDerWaalsContact C-N 3.34Å; Y87-L89 PolarHBondContact O-N 3.11Å | ||
| 88 | A | 49.2 | Very low | 51.5 | Low | 60 Ų | 60 | 126 Ų | 126 | 50% | 0.496 | 66% | 0.658 | S | S | . | * | trans | -65.8 | 99.3 | 150 | 0 | 0 | 0 | 0 | 0 | 102.3 | S86 D90 | S86-A88 PolarHBondContact O-N 3.18Å; A88-D90 PolarHBondContact O-N 3.34Å | ||
| 89 | L | 50.9 | Low | 50.3 | Low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -54.1 | 8.6 | 169.4 | -164.3 | 77.5 | 0 | 0 | 0 | 112.5 | Y87 E91 | Y87-L89 PolarHBondContact O-N 3.11Å; L89-E91 PolarHBondContact O-N 3.04Å | ||
| 90 | D | 47.2 | Very low | 49.5 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -94.8 | 89 | 179.9 | -72.6 | -49.9 | 0 | 0 | 0 | 109 | A88 S92 | A88-D90 PolarHBondContact O-N 3.34Å; D90-S92 PolarHBondContact O-N 3.03Å |
| 91 | E | 47.6 | Very low | 48.6 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | 47.2 | 39.3 | 129 | -151 | 77 | -151.5 | 0 | 0 | 116.2 | L89 K93 | L89-E91 PolarHBondContact O-N 3.04Å; E91-K93 PolarHBondContact O-N 2.76Å; E91-K93 VanDerWaalsContact O-N 3.08Å | |||
| 92 | S | 43.6 | Very low | 48 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -85 | 77.3 | 157.9 | 67.7 | 0 | 0 | 0 | 0 | 107.5 | D90 T94 | D90-S92 PolarHBondContact O-N 3.03Å; S92-T94 PolarHBondContact O-N 2.78Å | ||
| 93 | K | 45.9 | Very low | 47.8 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -38.6 | 116.6 | 144.8 | -158.7 | 171.6 | 79.5 | -168.1 | 0 | 106.1 | E91 | E91-K93 PolarHBondContact O-N 2.76Å; E91-K93 VanDerWaalsContact O-N 3.08Å | ||
| 94 | T | 47.7 | Very low | 47.8 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 77% | 0.767 | 71% | 0.713 | S | S | * | * | trans | -25.5 | 134.1 | -169.9 | -37.2 | 0 | 0 | 0 | 0 | 114.4 | S92 | S92-T94 PolarHBondContact O-N 2.78Š| ||
| 95 | P | 43.5 | Very low | 47.7 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -59 | 157.5 | -176.1 | 23.7 | -34 | 0 | 0 | 0 | 113.6 | A97 | P95-A97 PolarHBondContact O-N 2.72Š| ||
| 96 | P | 44.3 | Very low | 47.9 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -81.3 | 82.8 | -166.8 | 34.3 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 97 | A | 44.3 | Very low | 48.1 | Very low | 54 Ų | 54 | 135.3 Ų | 135.3 | 45% | 0.446 | 73% | 0.727 | S | S | . | * | trans | -163.9 | 115.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 103.9 | P95 | P95-A97 PolarHBondContact O-N 2.72Š| ||
| 98 | Y | 44.2 | Very low | 48.5 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | cis | -161.9 | 153.9 | 47.1 | -55.2 | -89.6 | 0 | 0 | 0 | 106.7 | Y100 | Y98-Y100 PolarHBondContact O-N 2.9Š| ||
| 99 | P | 47.6 | Very low | 49.2 | Very low | 131 Ų | 131 | 142 Ų | 142 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -79.1 | 39.9 | -168.8 | 36.4 | -38 | 0 | 0 | 0 | 113.1 | A101 | P99-A101 PolarHBondContact O-N 2.74Å; P99-A101 VanDerWaalsContact O-N 3.14Å | ||
| 100 | Y | 46.8 | Very low | 49.6 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -89.7 | 67.7 | 164 | -116.1 | -75 | 0 | 0 | 0 | 108.3 | Y98 Y102 | Y98-Y100 PolarHBondContact O-N 2.9Å; Y100-Y102 HydrophobicContact CD1-CD1 4.23Å; Y100-Y102 AromaticContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CE1 4.11Å; Y100-Y102 AromaticContact CD1-CE2 2.98Å; Y100-Y102 HydrophobicContact CD1-CE2 2.98Å; Y100-Y102 AromaticContact CD1-CG 3.77Å; Y100-Y102 HydrophobicContact CD1-CG 3.77Å; Y100-Y102 AromaticContact CD1-CZ 3.51Å; Y100-Y102 HydrophobicContact CE1-CD1 4.23Å; Y100-Y102 AromaticContact CE1-CD2 3.79Å; Y100-Y102 HydrophobicContact CE1-CD2 3.79Å; Y100-Y102 AromaticContact CE1-CE1 3.75Å; Y100-Y102 HydrophobicContact CE1-CE1 3.75Å; Y100-Y102 AromaticContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CG 4.24Å; Y100-Y102 AromaticContact CE1-CZ 3.2Å; Y100-Y102 WeakPolarHBondContact CE1-OH 3.07Å; Y100-Y102 AromaticContact CG-CD2 3.89Å; Y100-Y102 HydrophobicContact CG-CD2 3.89Å; Y100-Y102 AromaticContact CG-CE2 3.7Å; Y100-Y102 HydrophobicContact CG-CE2 3.7Å; Y100-Y102 PolarHBondContact O-N 3.07Å | ||
| 101 | A | 44.8 | Very low | 50.3 | Low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -52.8 | 81.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | P99 H103 | P99-A101 PolarHBondContact O-N 2.74Å; P99-A101 VanDerWaalsContact O-N 3.14Å; A101-H103 PolarHBondContact O-N 3.09Å | ||
| 102 | Y | 46.2 | Very low | 51.1 | Low | 163 Ų | 163 | 146.5 Ų | 146.5 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | -66.4 | 84.3 | 163.2 | -99.3 | -75.7 | 0 | 0 | 0 | 105 | Y100 K104 | Y100-Y102 HydrophobicContact CD1-CD1 4.23Å; Y100-Y102 AromaticContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CD2 3.14Å; Y100-Y102 HydrophobicContact CD1-CE1 4.11Å; Y100-Y102 AromaticContact CD1-CE2 2.98Å; Y100-Y102 HydrophobicContact CD1-CE2 2.98Å; Y100-Y102 AromaticContact CD1-CG 3.77Å; Y100-Y102 HydrophobicContact CD1-CG 3.77Å; Y100-Y102 AromaticContact CD1-CZ 3.51Å; Y100-Y102 HydrophobicContact CE1-CD1 4.23Å; Y100-Y102 AromaticContact CE1-CD2 3.79Å; Y100-Y102 HydrophobicContact CE1-CD2 3.79Å; Y100-Y102 AromaticContact CE1-CE1 3.75Å; Y100-Y102 HydrophobicContact CE1-CE1 3.75Å; Y100-Y102 AromaticContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CE2 3.24Å; Y100-Y102 HydrophobicContact CE1-CG 4.24Å; Y100-Y102 AromaticContact CE1-CZ 3.2Å; Y100-Y102 WeakPolarHBondContact CE1-OH 3.07Å; Y100-Y102 AromaticContact CG-CD2 3.89Å; Y100-Y102 HydrophobicContact CG-CD2 3.89Å; Y100-Y102 AromaticContact CG-CE2 3.7Å; Y100-Y102 HydrophobicContact CG-CE2 3.7Å; Y100-Y102 PolarHBondContact O-N 3.07Å; Y102-K104 PolarHBondContact O-N 2.73Å | ||
| 103 | H | 49.1 | Very low | 51.5 | Low | 182 Ų | 182 | 148.6 Ų | 148.6 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -64.4 | 36.6 | 170 | -160.9 | -63.7 | 0 | 0 | 0 | 110.9 | A101 | A101-H103 PolarHBondContact O-N 3.09Š| ||
| 104 | K | 52.1 | Low | 51.7 | Low | 166 Ų | 166 | 146.6 Ų | 146.6 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -113.2 | 88.9 | 166.3 | -60.9 | -152 | -168.3 | -163.9 | 0 | 104.7 | Y102 P106 | Y102-K104 PolarHBondContact O-N 2.73Å; K104-P106 WeakPolarHBondContact O-CD 3.15Å | ||
| 105 | A | 57.2 | Low | 52 | Low | 84 Ų | 84 | 147.8 Ų | 147.8 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | -72.6 | 101.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | T107 | A105-T107 HydrophobicContact CB-CG2 4.32Å; A105-T107 PolarHBondContact O-N 3.23Å | ||
| 106 | P | 58.3 | Low | 52.5 | Low | 117 Ų | 117 | 150.7 Ų | 150.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -77.4 | 84.9 | 163.9 | 2.3 | 21.9 | 0 | 0 | 0 | 103.5 | K104 R108 | K104-P106 WeakPolarHBondContact O-CD 3.15Å; P106-R108 PolarHBondContact O-N 2.86Å | ||
| 107 | T | 52.7 | Low | 53 | Low | 98 Ų | 98 | 151.5 Ų | 151.5 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | -53.8 | 139.2 | 169 | 61 | 0 | 0 | 0 | 0 | 107.7 | A105 | A105-T107 HydrophobicContact CB-CG2 4.32Å; A105-T107 PolarHBondContact O-N 3.23Å | ||
| 108 | R | 56.5 | Low | 53.6 | Low | 200 Ų | 200 | 158 Ų | 158 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 86.4 | 67.4 | 159.8 | -42.4 | 176.7 | -152.7 | -145 | 2.9 | 115.6 | P106 F110 | P106-R108 PolarHBondContact O-N 2.86Å; R108-F110 VanDerWaalsContact C-N 3.26Å; R108-F110 HydrophobicContact CB-CD2 4.11Å; R108-F110 PolarHBondContact O-N 3.23Å | ||
| 109 | E | 62.7 | Low | 54.2 | Low | 189 Ų | 189 | 154.5 Ų | 154.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -73 | 95.6 | 136.6 | 50.8 | -165.5 | 169.6 | 0 | 0 | 107.3 | Y111 | E109-Y111 PolarHBondContact O-N 3.21Š| ||
| 110 | F | 58.9 | Low | 54.7 | Low | 173 Ų | 173 | 156.3 Ų | 156.3 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -65.7 | 116 | 172.3 | -117.7 | -95.5 | 0 | 0 | 0 | 107.8 | R108 A112 | R108-F110 VanDerWaalsContact C-N 3.26Å; R108-F110 HydrophobicContact CB-CD2 4.11Å; R108-F110 PolarHBondContact O-N 3.23Å; F110-A112 PolarHBondContact O-N 3.09Å | ||
| 111 | Y | 61.8 | Low | 55.4 | Low | 240 Ų | 240 | 155 Ų | 155 | 94% | 0.941 | 80% | 0.804 | S | S | * | * | trans | -71.5 | 111.3 | 157.8 | -102.6 | -97.7 | 0 | 0 | 0 | 107.3 | E109 | E109-Y111 PolarHBondContact O-N 3.21Š| ||
| 112 | A | 64.6 | Low | 56.4 | Low | 162 Ų | 162 | 161.3 Ų | 161.3 | 100% | 1.339 | 81% | 0.812 | S | S | * | * | trans | -133.6 | 0 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | F110 | F110-A112 PolarHBondContact O-N 3.09Š|
Retrieved 112 of 112 residues in 100.7 ms
(Link to these results)