| 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 | 42.8 | Very low | 47.9 | Very low | 246 Ų | 246 | 149.8 Ų | 149.8 | 100% | 1.212 | 84% | 0.841 | S | S | * | * | 0 | 124.3 | 0 | -76.9 | -168.9 | 158.4 | 0 | 0 | 108.4 | |||||
| 2 | S | 48.6 | Very low | 47.8 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -53.3 | 154.2 | -179.2 | -37.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3 | K | 48.7 | Very low | 48.2 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | -157.2 | 135.9 | 68.7 | -75.4 | 175.9 | 179.1 | 177.3 | 0 | 112.5 | |||||
| 4 | T | 47.6 | Very low | 48.4 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -65.5 | 138 | 162.5 | -47.1 | 0 | 0 | 0 | 0 | 110.6 | Q6 | T4-Q6 HydrophobicContact CG2-CG 3.9Š| ||
| 5 | S | 48.1 | Very low | 48.6 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -120.7 | 99 | 159.7 | -169 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 6 | Q | 51.2 | Low | 48.5 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 83% | 0.829 | S | S | * | * | trans | -69.8 | 130 | 169.8 | -62.5 | 178.1 | 24.6 | 0 | 0 | 108 | T4 | T4-Q6 HydrophobicContact CG2-CG 3.9Š| ||
| 7 | Q | 50.1 | Low | 48.5 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -109 | 113.8 | 160.2 | -83.7 | -172.8 | -11.7 | 0 | 0 | 108.1 | T9 | Q7-T9 PolarHBondContact O-N 3.17Š| ||
| 8 | N | 47.6 | Very low | 48.4 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -60.3 | 126.7 | 170.5 | -79.6 | -10.9 | 0 | 0 | 0 | 109.9 | ||||
| 9 | T | 47.3 | Very low | 48.8 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -101.6 | 101 | 161.3 | 53.6 | 0 | 0 | 0 | 0 | 108.1 | Q7 T11 | Q7-T9 PolarHBondContact O-N 3.17Å; T9-T11 PolarHBondContact O-N 2.95Å | ||
| 10 | A | 45.1 | Very low | 48.8 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -78.3 | 108.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 11 | T | 49.7 | Very low | 48.7 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -86.1 | 112.1 | 172.1 | 49 | 0 | 0 | 0 | 0 | 108.6 | T9 | T9-T11 PolarHBondContact O-N 2.95Š| ||
| 12 | D | 46.8 | Very low | 48.6 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -89.1 | 150.6 | 164.6 | -154.5 | -10.4 | 0 | 0 | 0 | 109.9 | N14 | D12-N14 PolarHBondContact O-N 3.3Š| ||
| 13 | A | 52.9 | Low | 48.2 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -76.2 | 35.3 | -158 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 14 | N | 51.7 | Low | 47.9 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -147.9 | 98.6 | 168.9 | -84.5 | -54.6 | 0 | 0 | 0 | 108.6 | D12 V16 | D12-N14 PolarHBondContact O-N 3.3Å; N14-V16 VanDerWaalsContact C-N 3.27Å; N14-V16 PolarHBondContact O-N 2.95Å |
| 15 | G | 50.7 | Low | 47.9 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | trans | -58.5 | 68.1 | -168 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 16 | V | 47.1 | Very low | 47.7 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | -109.3 | 106.8 | 171 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | N14 V18 | N14-V16 VanDerWaalsContact C-N 3.27Å; N14-V16 PolarHBondContact O-N 2.95Å; V16-V18 HydrophobicContact CG1-CG2 4.48Å; V16-V18 PolarHBondContact O-N 3.03Å | ||
| 17 | S | 48.2 | Very low | 47.2 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 107.3 | 170.6 | -80.2 | 0 | 0 | 0 | 0 | 109.8 | I19 | S17-I19 PolarHBondContact O-N 2.8Š| ||
| 18 | V | 47.2 | Very low | 47 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -84.7 | 104.5 | 170.5 | 178 | 0 | 0 | 0 | 0 | 108.1 | V16 H20 | V16-V18 HydrophobicContact CG1-CG2 4.48Å; V16-V18 PolarHBondContact O-N 3.03Å; V18-H20 PolarHBondContact O-N 3.48Å | ||
| 19 | I | 56.6 | Low | 47 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -74.9 | 105.7 | 172.9 | -59.9 | 175 | 0 | 0 | 0 | 107.7 | S17 S21 | S17-I19 PolarHBondContact O-N 2.8Å; I19-S21 PolarHBondContact O-N 3.5Å | ||
| 20 | H | 48.3 | Very low | 47 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -82.9 | 100.9 | 173.5 | -163.5 | 85.5 | 0 | 0 | 0 | 109.5 | V18 Q22 | V18-H20 PolarHBondContact O-N 3.48Å; H20-Q22 PolarHBondContact O-N 3.33Å | ||
| 21 | S | 47 | Very low | 47 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 97.5 | 178.3 | -47.8 | 0 | 0 | 0 | 0 | 110.4 | I19 | I19-S21 PolarHBondContact O-N 3.5Š| ||
| 22 | Q | 39.6 | Very low | 46.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | trans | -77.6 | 119.8 | 172 | -165.2 | 169.8 | 47.3 | 0 | 0 | 109.9 | H20 H24 | H20-Q22 PolarHBondContact O-N 3.33Å; Q22-H24 VanDerWaalsContact CG-CE1 3.48Å; Q22-H24 WeakPolarHBondContact CG-CE1 3.45Å; Q22-H24 PolarHBondContact OE1-CE1 3.38Å; Q22-H24 PolarHBondContact OE1-NE2 3.29Å | ||
| 23 | A | 41.2 | Very low | 47 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -82.6 | 117 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 24 | H | 41 | Very low | 46.8 | Very low | 149 Ų | 149 | 137 Ų | 137 | 69% | 0.69 | 80% | 0.799 | S | S | * | * | trans | -111.1 | 118.9 | 167 | -47.9 | -78 | 0 | 0 | 0 | 108.5 | Q22 | Q22-H24 VanDerWaalsContact CG-CE1 3.48Å; Q22-H24 WeakPolarHBondContact CG-CE1 3.45Å; Q22-H24 PolarHBondContact OE1-CE1 3.38Å; Q22-H24 PolarHBondContact OE1-NE2 3.29Å | ||
| 25 | T | 47.8 | Very low | 46.6 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -94.8 | 126.3 | 171.5 | 53.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 26 | S | 45.2 | Very low | 46.6 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | 172.9 | 119.3 | 153.9 | -78.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 27 | G | 40.7 | Very low | 46.9 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 93.5 | 111.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 28 | L | 46 | Very low | 46.9 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | 49.9 | 102.4 | 157.9 | -56.8 | 177.4 | 0 | 0 | 0 | 117.3 | Q30 | L28-Q30 PolarHBondContact O-N 3.12Š| ||
| 29 | Q | 46.4 | Very low | 47.2 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -57.9 | 102.4 | 180 | -87.9 | -179.8 | 52.2 | 0 | 0 | 113.2 | ||||
| 30 | Q | 47.8 | Very low | 47 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 123.2 | 156.1 | -172.6 | 165.4 | 27.3 | 0 | 0 | 108.5 | L28 P32 | L28-Q30 PolarHBondContact O-N 3.12Å; Q30-P32 WeakPolarHBondContact O-CD 3.48Å |
| 31 | V | 44.1 | Very low | 46.9 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 126.3 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | Q33 | V31-Q33 PolarHBondContact O-N 2.97Å; V31-Q33 VanDerWaalsContact O-N 3.16Å |
| 32 | P | 47.5 | Very low | 47.2 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118 | 174.5 | -22.9 | 33.6 | 0 | 0 | 0 | 110.6 | Q30 L34 | Q30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-L34 PolarHBondContact O-N 2.97Å |
| 33 | Q | 49.2 | Very low | 47.8 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -70.5 | 107.5 | 169.1 | -82.4 | -160.2 | 68.5 | 0 | 0 | 109 | V31 V35 | V31-Q33 PolarHBondContact O-N 2.97Å; V31-Q33 VanDerWaalsContact O-N 3.16Å; Q33-V35 PolarHBondContact O-N 3.28Å | ||
| 34 | L | 49.7 | Very low | 48.5 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -75.5 | 115.5 | 169.6 | -67.5 | 170.1 | 0 | 0 | 0 | 108.8 | P32 | P32-L34 PolarHBondContact O-N 2.97Š| ||
| 35 | V | 47.6 | Very low | 49.5 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -64.9 | 128.8 | 167 | -76.4 | 0 | 0 | 0 | 0 | 109.5 | Q33 V37 | Q33-V35 PolarHBondContact O-N 3.28Å; V35-V37 PolarHBondContact O-N 3.12Å | ||
| 36 | P | 50.1 | Low | 50.1 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -74.2 | 111.6 | 175.7 | 27.9 | -30.4 | 0 | 0 | 0 | 109.5 | S38 | P36-S38 PolarHBondContact O-N 3.07Š| ||
| 37 | V | 53.8 | Low | 50.9 | Low | 135 Ų | 135 | 128.5 Ų | 128.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 106.6 | 162.1 | 172.5 | 0 | 0 | 0 | 0 | 107.3 | V35 P39 | V35-V37 PolarHBondContact O-N 3.12Å; V37-P39 WeakPolarHBondContact O-CD 3.43Å | ||
| 38 | S | 47.8 | Very low | 52 | Low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -65.6 | 124.7 | 170.6 | -84.3 | 0 | 0 | 0 | 0 | 110.4 | P36 G40 | P36-S38 PolarHBondContact O-N 3.07Å; S38-G40 PolarHBondContact O-N 3.35Å | ||
| 39 | P | 54.2 | Low | 52.6 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -77.4 | 98.9 | 157.6 | 22.7 | -12.2 | 0 | 0 | 0 | 107.8 | V37 G41 | V37-P39 WeakPolarHBondContact O-CD 3.43Å; P39-G41 PolarHBondContact O-N 3.3Å | ||
| 40 | G | 53 | Low | 53.2 | Low | 83 Ų | 83 | 126.7 Ų | 126.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -69.2 | 110.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S38 | S38-G40 PolarHBondContact O-N 3.35Š| ||
| 41 | G | 45.3 | Very low | 53.5 | Low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -171.2 | 94.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P39 | P39-G41 PolarHBondContact O-N 3.3Š| ||
| 42 | G | 53.5 | Low | 53.8 | Low | 93 Ų | 93 | 124.1 Ų | 124.1 | 96% | 0.959 | 80% | 0.797 | S | S | * | * | trans | -62.6 | 130.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 43 | G | 52.6 | Low | 54.1 | Low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -159.2 | 99.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | A45 | G43-A45 PolarHBondContact O-N 3Š| ||
| 44 | K | 56.1 | Low | 54.2 | Low | 216 Ų | 216 | 127.3 Ų | 127.3 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -67.1 | 87.4 | 173.7 | -71.4 | -153 | 178.9 | -173.6 | 0 | 108.3 | V46 | K44-V46 VanDerWaalsContact C-N 3.33Å; K44-V46 PolarHBondContact O-N 2.92Å | ||
| 45 | A | 60.4 | Low | 54.4 | Low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -65.3 | 101.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | G43 | G43-A45 PolarHBondContact O-N 3Š| ||
| 46 | V | 60.3 | Low | 54.9 | Low | 132 Ų | 132 | 124.6 Ų | 124.6 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 120.8 | 164.5 | -111.3 | 0 | 0 | 0 | 0 | 107.2 | K44 | K44-V46 VanDerWaalsContact C-N 3.33Å; K44-V46 PolarHBondContact O-N 2.92Å |
| 47 | P | 62.5 | Low | 55.5 | Low | 108 Ų | 108 | 127 Ų | 127 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 138.6 | 174.3 | 25.8 | -32.2 | 0 | 0 | 0 | 107.6 | S49 | P47-S49 PolarHBondContact O-N 2.85Š|
| 48 | P | 64.8 | Low | 56 | Low | 127 Ų | 127 | 123.9 Ų | 123.9 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 122.4 | 173.1 | 22.1 | -31.6 | 0 | 0 | 0 | 107.8 | K50 | P48-K50 PolarHBondContact O-N 3.33Š|
| 49 | S | 57.3 | Low | 57.4 | Low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -43.4 | 124.7 | -177.3 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | P47 Q51 | P47-S49 PolarHBondContact O-N 2.85Å; S49-Q51 PolarHBondContact O-N 3.37Å | ||
| 50 | K | 59 | Low | 58.7 | Low | 190 Ų | 190 | 126.9 Ų | 126.9 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -63.6 | 76.5 | 171.3 | -73.8 | 172.6 | 175.3 | 165.8 | 0 | 109.4 | P48 G52 | P48-K50 PolarHBondContact O-N 3.33Å; K50-G52 PolarHBondContact O-N 3.19Å | ||
| 51 | Q | 54.6 | Low | 60.1 | Low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | -81.5 | 108.5 | 160.5 | -84.3 | 168.6 | -29.9 | 0 | 0 | 108.1 | S49 | S49-Q51 PolarHBondContact O-N 3.37Š| ||
| 52 | G | 50.1 | Low | 62.3 | Low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | 96.1 | 68.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K50 K54 | K50-G52 PolarHBondContact O-N 3.19Å; G52-K54 PolarHBondContact O-N 3.3Å | ||
| 53 | K | 54.7 | Low | 64.1 | Low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 71% | 0.707 | S | S | * | * | trans | -59.6 | 84.9 | 140.2 | -78.2 | -177.5 | 177 | 179.9 | 0 | 108 | ||||
| 54 | K | 51.5 | Low | 66 | Low | 185 Ų | 185 | 129.7 Ų | 129.7 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -113.8 | 90.1 | 142.4 | -139.2 | 177.3 | -172.4 | 179.8 | 0 | 103.8 | G52 S56 | G52-K54 PolarHBondContact O-N 3.3Å; K54-S56 PolarHBondContact O-N 2.87Å | ||
| 55 | N | 53.7 | Low | 67.8 | Low | 155 Ų | 155 | 123 Ų | 123 | 83% | 0.829 | 67% | 0.666 | S | S | * | * | trans | -62.5 | 72.4 | 152 | -68.9 | -25.7 | 0 | 0 | 0 | 105.3 | L57 | N55-L57 PolarHBondContact O-N 3.5Š| ||
| 56 | S | 56.8 | Low | 69.3 | Low | 75 Ų | 75 | 126.5 Ų | 126.5 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | trans | -61.9 | 127.9 | 149.8 | 66 | 0 | 0 | 0 | 0 | 103 | K54 V58 | K54-S56 PolarHBondContact O-N 2.87Å; S56-V58 WeakPolarHBondContact O-CG2 3.38Å; S56-V58 PolarHBondContact O-N 3.48Å | ||
| 57 | L | 63 | Low | 71 | Confident | 170 Ų | 170 | 125.2 Ų | 125.2 | 89% | 0.89 | 65% | 0.645 | S | S | * | * | trans | -46.1 | 94.5 | 156.1 | -177.5 | 66.5 | 0 | 0 | 0 | 105.2 | N55 D59 | N55-L57 PolarHBondContact O-N 3.5Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.28Å | ||
| 58 | V | 64.8 | Low | 72.6 | Confident | 70 Ų | 70 | 126.5 Ų | 126.5 | 42% | 0.424 | 64% | 0.636 | S | S | . | * | trans | -65.8 | 107.2 | 179.6 | -178.1 | 0 | 0 | 0 | 0 | 102.6 | S56 R60 Y65 | S56-V58 WeakPolarHBondContact O-CG2 3.38Å; S56-V58 PolarHBondContact O-N 3.48Å; V58-R60 PolarHBondContact O-N 3.04Å; V58-Y65 HydrophobicContact CG1-CD2 3.83Å; V58-Y65 HydrophobicContact CG1-CG 4.3Å | ||
| 59 | D | 77.1 | Confident | 74.1 | Confident | 97 Ų | 97 | 125.6 Ų | 125.6 | 52% | 0.519 | 62% | 0.616 | S | S | . | * | trans | -52.5 | 115.3 | 179 | 176.3 | 8.6 | 0 | 0 | 0 | 106.8 | L57 N61 S62 | L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.28Å; D59-N61 PolarHBondContact O-N 3.49Å; D59-N61 PolarHBondContact OD1-N 3.36Å; D59-S62 VanDerWaalsContact O-CB 3.32Å; D59-S62 WeakPolarHBondContact O-CB 3.5Å; D59-S62 PolarHBondContact O-N 2.78Å; D59-S62 PolarHBondContact O-OG 3.45Å | ||
| 60 | R | 81 | Confident | 75.9 | Confident | 195 Ų | 195 | 126.9 Ų | 126.9 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -18.7 | -176.6 | -75 | -179.7 | 166 | -178.3 | -3.4 | 111.3 | V58 Y65 | V58-R60 PolarHBondContact O-N 3.04Å; R60-Y65 HydrophobicContact CB-CE1 4.47Å; R60-Y65 WeakPolarHBondContact O-CD1 3.35Å |
| 61 | N | 82.9 | Confident | 77.8 | Confident | 145 Ų | 145 | 124.7 Ų | 124.7 | 78% | 0.775 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -2 | -179.2 | -63.1 | 32.7 | 0 | 0 | 0 | 112.3 | D59 | D59-N61 PolarHBondContact O-N 3.49Å; D59-N61 PolarHBondContact OD1-N 3.36Å |
| 62 | S | 91.8 | Very high | 79.9 | Confident | 31 Ų | 31 | 119.6 Ų | 119.6 | 22% | 0.217 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -67.8 | 142 | 175.2 | 66 | 0 | 0 | 0 | 0 | 111.9 | D59 E64 Y65 R66 | D59-S62 VanDerWaalsContact O-CB 3.32Å; D59-S62 WeakPolarHBondContact O-CB 3.5Å; D59-S62 PolarHBondContact O-N 2.78Å; D59-S62 PolarHBondContact O-OG 3.45Å; S62-E64 PolarHBondContact O-N 3.32Å; S62-Y65 WeakPolarHBondContact O-CB 3.39Å; S62-Y65 PolarHBondContact O-N 3.02Å; S62-Y65 VanDerWaalsContact O-N 3.14Å; S62-Y65 VanDerWaalsContact OG-CB 3.29Å; S62-Y65 WeakPolarHBondContact OG-CB 3.39Å; S62-Y65 PolarHBondContact OG-N 3.18Å; S62-R66 PolarHBondContact O-N 3.38Å; S62-R66 VanDerWaalsContact O-N 3.08Å |
| 63 | D | 90.9 | Very high | 82.2 | Confident | 96 Ų | 96 | 120.6 Ų | 120.6 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.7 | -33.2 | 174.9 | -84.2 | -45.6 | 0 | 0 | 0 | 112.3 | R66 Q67 | D63-R66 PolarHBondContact O-N 3.22Å; D63-R66 IonicContact OD1-CZ 2.88Å; D63-R66 IonicContact OD1-NE 2.79Å; D63-R66 PolarHBondContact OD1-NE 2.82Å; D63-R66 IonicContact OD1-NH2 3.46Å; D63-R66 PolarHBondContact OD1-NH2 3.48Å; D63-Q67 WeakPolarHBondContact O-CG 3.45Å; D63-Q67 PolarHBondContact O-N 2.98Å |
| 64 | E | 91.9 | Very high | 84.2 | Confident | 105 Ų | 105 | 117.5 Ų | 117.5 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -44.4 | 175.9 | -163.8 | -162.6 | 152.5 | 0 | 0 | 111.7 | S62 R68 | S62-E64 PolarHBondContact O-N 3.32Å; E64-R68 WeakPolarHBondContact O-CG 3.38Å; E64-R68 PolarHBondContact O-N 2.97Å; E64-R68 IonicContact OE1-CZ 2.8Å; E64-R68 IonicContact OE1-NE 2.66Å; E64-R68 PolarHBondContact OE1-NE 3.49Å; E64-R68 IonicContact OE1-NH2 3.18Å; E64-R68 PolarHBondContact OE1-NH2 3.34Å |
| 65 | Y | 93.8 | Very high | 86.4 | Confident | 74 Ų | 74 | 111.3 Ų | 111.3 | 29% | 0.29 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 174.1 | 180 | -98.7 | 0 | 0 | 0 | 110.9 | V58 R60 S62 Q67 R68 R69 | V58-Y65 HydrophobicContact CG1-CD2 3.83Å; V58-Y65 HydrophobicContact CG1-CG 4.3Å; R60-Y65 HydrophobicContact CB-CE1 4.47Å; R60-Y65 WeakPolarHBondContact O-CD1 3.35Å; S62-Y65 WeakPolarHBondContact O-CB 3.39Å; S62-Y65 PolarHBondContact O-N 3.02Å; S62-Y65 VanDerWaalsContact O-N 3.14Å; S62-Y65 VanDerWaalsContact OG-CB 3.29Å; S62-Y65 WeakPolarHBondContact OG-CB 3.39Å; S62-Y65 PolarHBondContact OG-N 3.18Å; Y65-Q67 PolarHBondContact O-N 2.69Å; Y65-R68 PolarHBondContact O-N 2.98Å; Y65-R69 HydrophobicContact CD1-CG 3.94Å; Y65-R69 HydrophobicContact CD2-CG 4.42Å; Y65-R69 HydrophobicContact CE1-CG 3.52Å; Y65-R69 HydrophobicContact CE2-CG 4.06Å; Y65-R69 HydrophobicContact CG-CG 4.37Å; Y65-R69 WeakPolarHBondContact O-CG 3.13Å; Y65-R69 PolarHBondContact O-N 2.9Å |
| 66 | R | 94 | Very high | 88.6 | Confident | 165 Ų | 165 | 106.5 Ų | 106.5 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.5 | -48.7 | 179.7 | -169.3 | 171.5 | 63.1 | 152 | -4.4 | 111.8 | S62 D63 R68 R69 E70 | S62-R66 PolarHBondContact O-N 3.38Å; S62-R66 VanDerWaalsContact O-N 3.08Å; D63-R66 PolarHBondContact O-N 3.22Å; D63-R66 IonicContact OD1-CZ 2.88Å; D63-R66 IonicContact OD1-NE 2.79Å; D63-R66 PolarHBondContact OD1-NE 2.82Å; D63-R66 IonicContact OD1-NH2 3.46Å; D63-R66 PolarHBondContact OD1-NH2 3.48Å; R66-R68 PolarHBondContact O-N 2.97Å; R66-R69 PolarHBondContact O-N 3.43Å; R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 PolarHBondContact O-N 2.97Å |
| 67 | Q | 94.9 | Very high | 90.5 | Very high | 106 Ų | 106 | 110 Ų | 110 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 177.1 | -70.4 | 178.2 | 32.7 | 0 | 0 | 112.8 | D63 Y65 E70 R71 | D63-Q67 WeakPolarHBondContact O-CG 3.45Å; D63-Q67 PolarHBondContact O-N 2.98Å; Y65-Q67 PolarHBondContact O-N 2.69Å; Q67-E70 PolarHBondContact O-N 2.94Å; Q67-R71 WeakPolarHBondContact O-CB 3.47Å; Q67-R71 PolarHBondContact O-N 3.35Å |
| 68 | R | 95.4 | Very high | 92.2 | Very high | 134 Ų | 134 | 109.7 Ų | 109.7 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.5 | -74.6 | 175 | -175.1 | -94.7 | 2.9 | 111.4 | E64 Y65 R66 N72 | E64-R68 WeakPolarHBondContact O-CG 3.38Å; E64-R68 PolarHBondContact O-N 2.97Å; E64-R68 IonicContact OE1-CZ 2.8Å; E64-R68 IonicContact OE1-NE 2.66Å; E64-R68 PolarHBondContact OE1-NE 3.49Å; E64-R68 IonicContact OE1-NH2 3.18Å; E64-R68 PolarHBondContact OE1-NH2 3.34Å; Y65-R68 PolarHBondContact O-N 2.98Å; R66-R68 PolarHBondContact O-N 2.97Å; R68-N72 WeakPolarHBondContact O-CB 3.43Å; R68-N72 PolarHBondContact O-N 3.12Å |
| 69 | R | 96.8 | Very high | 93.8 | Very high | 109 Ų | 109 | 109.7 Ų | 109.7 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 177.3 | -68.5 | -58.3 | -62.5 | 168.6 | 0 | 112 | Y65 R66 N72 N73 | Y65-R69 HydrophobicContact CD1-CG 3.94Å; Y65-R69 HydrophobicContact CD2-CG 4.42Å; Y65-R69 HydrophobicContact CE1-CG 3.52Å; Y65-R69 HydrophobicContact CE2-CG 4.06Å; Y65-R69 HydrophobicContact CG-CG 4.37Å; Y65-R69 WeakPolarHBondContact O-CG 3.13Å; Y65-R69 PolarHBondContact O-N 2.9Å; R66-R69 PolarHBondContact O-N 3.43Å; R69-N72 PolarHBondContact O-N 3.3Å; R69-N73 WeakPolarHBondContact O-CB 3.31Å; R69-N73 PolarHBondContact O-N 3Å; R69-N73 PolarHBondContact O-ND2 3.37Å |
| 70 | E | 96.4 | Very high | 94.9 | Very high | 126 Ų | 126 | 113.9 Ų | 113.9 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.2 | -48.2 | 176.2 | -173.7 | 175.4 | -169.1 | 0 | 0 | 111.4 | R66 Q67 N72 N73 M74 | R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 PolarHBondContact O-N 2.97Å; Q67-E70 PolarHBondContact O-N 2.94Å; E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 3.08Å; E70-N73 PolarHBondContact O-N 3.45Å; E70-M74 WeakPolarHBondContact O-CG 3.44Å; E70-M74 PolarHBondContact O-N 2.86Å |
| 71 | R | 97.9 | Very high | 95.7 | Very high | 143 Ų | 143 | 109.9 Ų | 109.9 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 173.8 | -80.4 | -173.7 | -85 | 115.8 | -7.9 | 112.5 | Q67 M74 A75 | Q67-R71 WeakPolarHBondContact O-CB 3.47Å; Q67-R71 PolarHBondContact O-N 3.35Å; R71-M74 PolarHBondContact O-N 2.96Å; R71-A75 WeakPolarHBondContact O-CB 3.49Å; R71-A75 PolarHBondContact O-N 3.45Å |
| 72 | N | 97.9 | Very high | 96.4 | Very high | 76 Ų | 76 | 110.6 Ų | 110.6 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 177.7 | -176.4 | -106.5 | 0 | 0 | 0 | 112.1 | R68 R69 E70 M74 A75 V76 | R68-N72 WeakPolarHBondContact O-CB 3.43Å; R68-N72 PolarHBondContact O-N 3.12Å; R69-N72 PolarHBondContact O-N 3.3Å; E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 3.08Å; N72-M74 VanDerWaalsContact C-N 3.28Å; N72-M74 PolarHBondContact O-N 3.24Å; N72-A75 WeakPolarHBondContact O-CB 3.32Å; N72-A75 PolarHBondContact O-N 3.08Å; N72-A75 VanDerWaalsContact O-N 3.13Å; N72-V76 WeakPolarHBondContact O-CG2 3.34Å; N72-V76 PolarHBondContact O-N 3.48Å |
| 73 | N | 98.2 | Very high | 96.8 | Very high | 90 Ų | 90 | 112.8 Ų | 112.8 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 176.2 | -72.4 | -23.3 | 0 | 0 | 0 | 111.1 | R69 E70 V76 K77 | R69-N73 WeakPolarHBondContact O-CB 3.31Å; R69-N73 PolarHBondContact O-N 3Å; R69-N73 PolarHBondContact O-ND2 3.37Å; E70-N73 PolarHBondContact O-N 3.45Å; N73-V76 PolarHBondContact O-N 2.97Å; N73-K77 WeakPolarHBondContact O-CB 3.47Å; N73-K77 PolarHBondContact O-N 3.34Å |
| 74 | M | 97.9 | Very high | 97.1 | Very high | 120 Ų | 120 | 114.5 Ų | 114.5 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 174.8 | -70.2 | -58.9 | -73.7 | 0 | 0 | 112.2 | E70 R71 N72 V76 K77 K78 | E70-M74 WeakPolarHBondContact O-CG 3.44Å; E70-M74 PolarHBondContact O-N 2.86Å; R71-M74 PolarHBondContact O-N 2.96Å; N72-M74 VanDerWaalsContact C-N 3.28Å; N72-M74 PolarHBondContact O-N 3.24Å; M74-V76 PolarHBondContact O-N 3.31Å; M74-K77 PolarHBondContact O-N 3.02Å; M74-K78 WeakPolarHBondContact O-CB 3.47Å; M74-K78 PolarHBondContact O-N 3.46Å |
| 75 | A | 98.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 113.6 Ų | 113.6 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R71 N72 K78 S79 | R71-A75 WeakPolarHBondContact O-CB 3.49Å; R71-A75 PolarHBondContact O-N 3.45Å; N72-A75 WeakPolarHBondContact O-CB 3.32Å; N72-A75 PolarHBondContact O-N 3.08Å; N72-A75 VanDerWaalsContact O-N 3.13Å; A75-K78 PolarHBondContact O-N 3.42Å; A75-S79 WeakPolarHBondContact O-CB 3.49Å; A75-S79 PolarHBondContact O-N 3.36Å |
| 76 | V | 98.4 | Very high | 97.7 | Very high | 53 Ų | 53 | 117.3 Ų | 117.3 | 32% | 0.321 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | N72 N73 M74 K78 S79 R80 | N72-V76 WeakPolarHBondContact O-CG2 3.34Å; N72-V76 PolarHBondContact O-N 3.48Å; N73-V76 PolarHBondContact O-N 2.97Å; M74-V76 PolarHBondContact O-N 3.31Å; V76-K78 VanDerWaalsContact C-N 3.32Å; V76-K78 PolarHBondContact O-N 3.44Å; V76-S79 PolarHBondContact O-N 2.92Å; V76-R80 HydrophobicContact CG1-CG 4.39Å; V76-R80 WeakPolarHBondContact O-CB 3.37Å; V76-R80 WeakPolarHBondContact O-CG 3.33Å; V76-R80 PolarHBondContact O-N 3.16Å |
| 77 | K | 98.4 | Very high | 97.9 | Very high | 149 Ų | 149 | 112.4 Ų | 112.4 | 65% | 0.648 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.3 | -45.6 | 176.5 | -172.2 | 175.7 | -178.8 | 179.1 | 0 | 111 | N73 M74 R80 L81 | N73-K77 WeakPolarHBondContact O-CB 3.47Å; N73-K77 PolarHBondContact O-N 3.34Å; M74-K77 PolarHBondContact O-N 3.02Å; K77-R80 PolarHBondContact O-N 2.82Å; K77-L81 WeakPolarHBondContact O-CB 3.38Å; K77-L81 PolarHBondContact O-N 3.09Å |
| 78 | K | 98.6 | Very high | 98.1 | Very high | 163 Ų | 163 | 112 Ų | 112 | 71% | 0.709 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 176 | -174.6 | 174.3 | -177.6 | 175.9 | 0 | 112.1 | M74 A75 V76 L81 K82 | M74-K78 WeakPolarHBondContact O-CB 3.47Å; M74-K78 PolarHBondContact O-N 3.46Å; A75-K78 PolarHBondContact O-N 3.42Å; V76-K78 VanDerWaalsContact C-N 3.32Å; V76-K78 PolarHBondContact O-N 3.44Å; K78-L81 PolarHBondContact O-N 3.34Å; K78-K82 WeakPolarHBondContact O-CB 3.4Å; K78-K82 PolarHBondContact O-N 3.48Å |
| 79 | S | 98.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 109.1 Ų | 109.1 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | A75 V76 L81 K82 S83 | A75-S79 WeakPolarHBondContact O-CB 3.49Å; A75-S79 PolarHBondContact O-N 3.36Å; V76-S79 PolarHBondContact O-N 2.92Å; S79-L81 PolarHBondContact O-N 2.94Å; S79-K82 PolarHBondContact O-N 3.4Å; S79-S83 PolarHBondContact O-N 3Å; S79-S83 PolarHBondContact O-OG 3.44Å |
| 80 | R | 98.6 | Very high | 98.3 | Very high | 184 Ų | 184 | 107.7 Ų | 107.7 | 69% | 0.694 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.6 | -46.1 | 177.1 | -72.3 | 177.9 | -179.2 | -178.7 | 0.6 | 112.1 | V76 K77 K82 S83 K84 | V76-R80 HydrophobicContact CG1-CG 4.39Å; V76-R80 WeakPolarHBondContact O-CB 3.37Å; V76-R80 WeakPolarHBondContact O-CG 3.33Å; V76-R80 PolarHBondContact O-N 3.16Å; K77-R80 PolarHBondContact O-N 2.82Å; R80-K82 VanDerWaalsContact C-N 3.34Å; R80-K82 PolarHBondContact O-N 3.16Å; R80-S83 PolarHBondContact O-N 3.4Å; R80-K84 WeakPolarHBondContact O-CB 3.42Å; R80-K84 PolarHBondContact O-N 3.43Å |
| 81 | L | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 106.9 Ų | 106.9 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 177.9 | -176.3 | 64.5 | 0 | 0 | 0 | 111.1 | K77 K78 S79 S83 K84 Q85 | K77-L81 WeakPolarHBondContact O-CB 3.38Å; K77-L81 PolarHBondContact O-N 3.09Å; K78-L81 PolarHBondContact O-N 3.34Å; S79-L81 PolarHBondContact O-N 2.94Å; L81-S83 PolarHBondContact O-N 3.17Å; L81-K84 PolarHBondContact O-N 3Å; L81-Q85 WeakPolarHBondContact O-CB 3.35Å; L81-Q85 PolarHBondContact O-N 2.88Å |
| 82 | K | 98.6 | Very high | 98.4 | Very high | 161 Ų | 161 | 105.3 Ų | 105.3 | 70% | 0.7 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60 | -44 | 176.7 | -173.9 | 176.5 | -178.3 | 179.3 | 0 | 112 | K78 S79 R80 Q85 K86 | K78-K82 WeakPolarHBondContact O-CB 3.4Å; K78-K82 PolarHBondContact O-N 3.48Å; S79-K82 PolarHBondContact O-N 3.4Å; R80-K82 VanDerWaalsContact C-N 3.34Å; R80-K82 PolarHBondContact O-N 3.16Å; K82-Q85 PolarHBondContact O-N 3.08Å; K82-K86 WeakPolarHBondContact O-CB 3.47Å; K82-K86 PolarHBondContact O-N 3.04Å |
| 83 | S | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 109.1 Ų | 109.1 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.8 | -63 | 0 | 0 | 0 | 0 | 112.1 | S79 R80 L81 K86 A87 | S79-S83 PolarHBondContact O-N 3Å; S79-S83 PolarHBondContact O-OG 3.44Å; R80-S83 PolarHBondContact O-N 3.4Å; L81-S83 PolarHBondContact O-N 3.17Å; S83-K86 PolarHBondContact O-N 3.21Å; S83-A87 PolarHBondContact O-N 3.19Å; S83-A87 VanDerWaalsContact O-N 3.09Å |
| 84 | K | 98.5 | Very high | 98.5 | Very high | 132 Ų | 132 | 107.8 Ų | 107.8 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 175.2 | -174.6 | -179.9 | 178.6 | -177.5 | 0 | 111.4 | R80 L81 K86 A87 Q88 | R80-K84 WeakPolarHBondContact O-CB 3.42Å; R80-K84 PolarHBondContact O-N 3.43Å; L81-K84 PolarHBondContact O-N 3Å; K84-K86 PolarHBondContact O-N 3.28Å; K84-A87 PolarHBondContact O-N 3.38Å; K84-Q88 WeakPolarHBondContact O-CG 3.49Å; K84-Q88 PolarHBondContact O-N 3.49Å |
| 85 | Q | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 105.5 Ų | 105.5 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 177.8 | -171.8 | 63.9 | 44.9 | 0 | 0 | 110.7 | L81 K82 A87 Q88 D89 | L81-Q85 WeakPolarHBondContact O-CB 3.35Å; L81-Q85 PolarHBondContact O-N 2.88Å; K82-Q85 PolarHBondContact O-N 3.08Å; Q85-A87 VanDerWaalsContact C-N 3.27Å; Q85-A87 PolarHBondContact O-N 3.33Å; Q85-Q88 CarbonylContact O-C 3.59Å; Q85-Q88 WeakPolarHBondContact O-CA 3.23Å; Q85-Q88 WeakPolarHBondContact O-CB 3.27Å; Q85-Q88 PolarHBondContact O-N 3.39Å; Q85-D89 PolarHBondContact NE2-OD1 2.94Å; Q85-D89 PolarHBondContact O-N 2.92Å |
| 86 | K | 98.6 | Very high | 98.5 | Very high | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.6 | -40 | 177.9 | -174.5 | 176.9 | -179.7 | -177.8 | 0 | 112.4 | K82 S83 K84 T90 | K82-K86 WeakPolarHBondContact O-CB 3.47Å; K82-K86 PolarHBondContact O-N 3.04Å; S83-K86 PolarHBondContact O-N 3.21Å; K84-K86 PolarHBondContact O-N 3.28Å; K86-T90 WeakPolarHBondContact O-CB 3.45Å; K86-T90 PolarHBondContact O-N 2.95Å; K86-T90 PolarHBondContact O-OG1 3.03Å |
| 87 | A | 98.3 | Very high | 98.5 | Very high | 63 Ų | 63 | 108.6 Ų | 108.6 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S83 K84 Q85 T90 L91 | S83-A87 PolarHBondContact O-N 3.19Å; S83-A87 VanDerWaalsContact O-N 3.09Å; K84-A87 PolarHBondContact O-N 3.38Å; Q85-A87 VanDerWaalsContact C-N 3.27Å; Q85-A87 PolarHBondContact O-N 3.33Å; A87-T90 PolarHBondContact O-N 3.46Å; A87-L91 PolarHBondContact O-N 3.5Å |
| 88 | Q | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 108 Ų | 108 | 46% | 0.458 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 176 | -71 | -179.2 | -43.2 | 0 | 0 | 112.1 | K84 Q85 T90 L91 Q92 | K84-Q88 WeakPolarHBondContact O-CG 3.49Å; K84-Q88 PolarHBondContact O-N 3.49Å; Q85-Q88 CarbonylContact O-C 3.59Å; Q85-Q88 WeakPolarHBondContact O-CA 3.23Å; Q85-Q88 WeakPolarHBondContact O-CB 3.27Å; Q85-Q88 PolarHBondContact O-N 3.39Å; Q88-T90 VanDerWaalsContact C-N 3.27Å; Q88-T90 PolarHBondContact O-N 2.99Å; Q88-L91 WeakPolarHBondContact O-CB 3.47Å; Q88-L91 PolarHBondContact O-N 2.92Å; Q88-L91 VanDerWaalsContact O-N 3.17Å; Q88-Q92 PolarHBondContact O-N 2.95Å |
| 89 | D | 98.4 | Very high | 98.5 | Very high | 73 Ų | 73 | 106.7 Ų | 106.7 | 39% | 0.39 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 177.3 | -62.9 | -17.6 | 0 | 0 | 0 | 111.1 | Q85 Q92 R93 | Q85-D89 PolarHBondContact NE2-OD1 2.94Å; Q85-D89 PolarHBondContact O-N 2.92Å; D89-Q92 PolarHBondContact O-N 3.36Å; D89-R93 WeakPolarHBondContact O-CB 3.38Å; D89-R93 PolarHBondContact O-N 3.47Å |
| 90 | T | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 108 Ų | 108 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 177.2 | -56.1 | 0 | 0 | 0 | 0 | 111 | K86 A87 Q88 Q92 R93 V94 | K86-T90 WeakPolarHBondContact O-CB 3.45Å; K86-T90 PolarHBondContact O-N 2.95Å; K86-T90 PolarHBondContact O-OG1 3.03Å; A87-T90 PolarHBondContact O-N 3.46Å; Q88-T90 VanDerWaalsContact C-N 3.27Å; Q88-T90 PolarHBondContact O-N 2.99Å; T90-Q92 VanDerWaalsContact C-N 3.35Å; T90-Q92 PolarHBondContact O-N 3.12Å; T90-R93 PolarHBondContact O-N 3.19Å; T90-V94 WeakPolarHBondContact O-CG2 3.26Å; T90-V94 PolarHBondContact O-N 3.31Å |
| 91 | L | 98.4 | Very high | 98.5 | Very high | 109 Ų | 109 | 103.4 Ų | 103.4 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 176.1 | -179.2 | 65.4 | 0 | 0 | 0 | 111.3 | A87 Q88 R93 V94 N95 | A87-L91 PolarHBondContact O-N 3.5Å; Q88-L91 WeakPolarHBondContact O-CB 3.47Å; Q88-L91 PolarHBondContact O-N 2.92Å; Q88-L91 VanDerWaalsContact O-N 3.17Å; L91-R93 PolarHBondContact O-N 3.28Å; L91-V94 PolarHBondContact O-N 3.04Å; L91-N95 PolarHBondContact O-N 3.43Å |
| 92 | Q | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -44 | 177 | -174.1 | 178.2 | -1.6 | 0 | 0 | 111.5 | Q88 D89 T90 V94 N95 Q96 | Q88-Q92 PolarHBondContact O-N 2.95Å; D89-Q92 PolarHBondContact O-N 3.36Å; T90-Q92 VanDerWaalsContact C-N 3.35Å; T90-Q92 PolarHBondContact O-N 3.12Å; Q92-V94 VanDerWaalsContact C-N 3.33Å; Q92-V94 PolarHBondContact O-N 3.04Å; Q92-N95 PolarHBondContact O-N 3.44Å; Q92-Q96 WeakPolarHBondContact O-CG 3.35Å; Q92-Q96 PolarHBondContact O-N 3.37Å |
| 93 | R | 98.6 | Very high | 98.5 | Very high | 157 Ų | 157 | 103.8 Ų | 103.8 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 175.6 | -173.2 | 78.7 | -178.4 | 166.5 | 4.4 | 111.5 | D89 T90 L91 N95 Q96 L97 | D89-R93 WeakPolarHBondContact O-CB 3.38Å; D89-R93 PolarHBondContact O-N 3.47Å; T90-R93 PolarHBondContact O-N 3.19Å; L91-R93 PolarHBondContact O-N 3.28Å; R93-N95 VanDerWaalsContact C-N 3.34Å; R93-Q96 PolarHBondContact O-N 3.5Å; R93-L97 HydrophobicContact CG-CD1 4.17Å; R93-L97 WeakPolarHBondContact O-CB 3.36Å; R93-L97 VanDerWaalsContact O-CG 3.26Å; R93-L97 WeakPolarHBondContact O-CG 3.47Å; R93-L97 PolarHBondContact O-N 3.23Å |
| 94 | V | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 103.5 Ų | 103.5 | 37% | 0.37 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 177.4 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | T90 L91 Q92 L97 K98 | T90-V94 WeakPolarHBondContact O-CG2 3.26Å; T90-V94 PolarHBondContact O-N 3.31Å; L91-V94 PolarHBondContact O-N 3.04Å; Q92-V94 VanDerWaalsContact C-N 3.33Å; Q92-V94 PolarHBondContact O-N 3.04Å; V94-L97 PolarHBondContact O-N 3.33Å; V94-K98 HydrophobicContact CG1-CD 4.3Å; V94-K98 WeakPolarHBondContact O-CG 3.47Å; V94-K98 PolarHBondContact O-N 2.96Å |
| 95 | N | 98.5 | Very high | 98.5 | Very high | 72 Ų | 72 | 101.5 Ų | 101.5 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 178.1 | -69.4 | -11.4 | 0 | 0 | 0 | 111.7 | L91 Q92 R93 L97 K98 E99 | L91-N95 PolarHBondContact O-N 3.43Å; Q92-N95 PolarHBondContact O-N 3.44Å; R93-N95 VanDerWaalsContact C-N 3.34Å; N95-L97 VanDerWaalsContact C-N 3.31Å; N95-L97 PolarHBondContact O-N 2.98Å; N95-K98 WeakPolarHBondContact O-CB 3.38Å; N95-K98 PolarHBondContact O-N 2.9Å; N95-K98 VanDerWaalsContact O-N 3.12Å; N95-E99 PolarHBondContact O-N 3.09Å |
| 96 | Q | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 175.1 | -72.7 | 171.4 | -5.3 | 0 | 0 | 112 | Q92 R93 K98 E99 E100 | Q92-Q96 WeakPolarHBondContact O-CG 3.35Å; Q92-Q96 PolarHBondContact O-N 3.37Å; R93-Q96 PolarHBondContact O-N 3.5Å; Q96-K98 VanDerWaalsContact C-N 3.33Å; Q96-K98 PolarHBondContact O-N 3.36Å; Q96-E99 PolarHBondContact O-N 3.03Å; Q96-E100 WeakPolarHBondContact O-CB 3.32Å; Q96-E100 PolarHBondContact O-N 3.25Å |
| 97 | L | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 98.6 Ų | 98.6 | 45% | 0.45 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 178.4 | -71.9 | 171.3 | 0 | 0 | 0 | 112.3 | R93 V94 N95 N101 | R93-L97 HydrophobicContact CG-CD1 4.17Å; R93-L97 WeakPolarHBondContact O-CB 3.36Å; R93-L97 VanDerWaalsContact O-CG 3.26Å; R93-L97 WeakPolarHBondContact O-CG 3.47Å; R93-L97 PolarHBondContact O-N 3.23Å; V94-L97 PolarHBondContact O-N 3.33Å; N95-L97 VanDerWaalsContact C-N 3.31Å; N95-L97 PolarHBondContact O-N 2.98Å; L97-N101 VanDerWaalsContact O-CB 3.23Å; L97-N101 WeakPolarHBondContact O-CB 3.48Å; L97-N101 PolarHBondContact O-N 3.26Å |
| 98 | K | 98.6 | Very high | 98.5 | Very high | 136 Ų | 136 | 100.6 Ų | 100.6 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -48 | 175.2 | -76.2 | 177.4 | 176.3 | -175 | 0 | 111.6 | V94 N95 Q96 N101 E102 | V94-K98 HydrophobicContact CG1-CD 4.3Å; V94-K98 WeakPolarHBondContact O-CG 3.47Å; V94-K98 PolarHBondContact O-N 2.96Å; N95-K98 WeakPolarHBondContact O-CB 3.38Å; N95-K98 PolarHBondContact O-N 2.9Å; N95-K98 VanDerWaalsContact O-N 3.12Å; Q96-K98 VanDerWaalsContact C-N 3.33Å; Q96-K98 PolarHBondContact O-N 3.36Å; K98-N101 PolarHBondContact O-N 3.17Å; K98-E102 PolarHBondContact O-N 3.45Å |
| 99 | E | 98.6 | Very high | 98.5 | Very high | 136 Ų | 136 | 102.7 Ų | 102.7 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 177.1 | -70.5 | 171.2 | -162.4 | 0 | 0 | 111.5 | N95 Q96 N101 E102 R103 | N95-E99 PolarHBondContact O-N 3.09Å; Q96-E99 PolarHBondContact O-N 3.03Å; E99-N101 VanDerWaalsContact C-N 3.34Å; E99-N101 PolarHBondContact O-N 3.03Å; E99-E102 PolarHBondContact O-N 3.45Å; E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 PolarHBondContact O-N 2.79Å |
| 100 | E | 98.4 | Very high | 98.5 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 176.2 | -176.5 | 172 | -165 | 0 | 0 | 111.7 | Q96 R103 L104 | Q96-E100 WeakPolarHBondContact O-CB 3.32Å; Q96-E100 PolarHBondContact O-N 3.25Å; E100-R103 PolarHBondContact O-N 2.8Å; E100-L104 HydrophobicContact CG-CD1 4.07Å; E100-L104 HydrophobicContact CG-CG 4.43Å; E100-L104 WeakPolarHBondContact O-CB 3.36Å; E100-L104 VanDerWaalsContact O-CG 3.27Å; E100-L104 WeakPolarHBondContact O-CG 3.4Å; E100-L104 PolarHBondContact O-N 2.89Å |
| 101 | N | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 104 Ų | 104 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 178.1 | -165 | 7.5 | 0 | 0 | 0 | 111.5 | L97 K98 E99 R103 L104 E105 | L97-N101 VanDerWaalsContact O-CB 3.23Å; L97-N101 WeakPolarHBondContact O-CB 3.48Å; L97-N101 PolarHBondContact O-N 3.26Å; K98-N101 PolarHBondContact O-N 3.17Å; E99-N101 VanDerWaalsContact C-N 3.34Å; E99-N101 PolarHBondContact O-N 3.03Å; N101-R103 VanDerWaalsContact C-N 3.3Å; N101-R103 PolarHBondContact O-N 3.47Å; N101-L104 PolarHBondContact O-N 2.71Å; N101-L104 VanDerWaalsContact O-N 3.09Å; N101-E105 WeakPolarHBondContact O-CG 3.34Å; N101-E105 PolarHBondContact O-N 3.29Å |
| 102 | E | 98.5 | Very high | 98.5 | Very high | 137 Ų | 137 | 102.9 Ų | 102.9 | 64% | 0.64 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.1 | -44.5 | 175.9 | -175.2 | -178.7 | 171.7 | 0 | 0 | 111.7 | K98 E99 L104 E105 A106 | K98-E102 PolarHBondContact O-N 3.45Å; E99-E102 PolarHBondContact O-N 3.45Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3Å; E102-E105 PolarHBondContact O-N 3.5Å; E102-A106 WeakPolarHBondContact O-CB 3.5Å; E102-A106 PolarHBondContact O-N 2.85Å |
| 103 | R | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 104.7 Ų | 104.7 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.2 | -172.3 | -168.6 | 69 | 88 | 0.6 | 112.1 | E99 E100 N101 K107 | E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 PolarHBondContact O-N 2.79Å; E100-R103 PolarHBondContact O-N 2.8Å; N101-R103 VanDerWaalsContact C-N 3.3Å; N101-R103 PolarHBondContact O-N 3.47Å; R103-K107 PolarHBondContact O-N 3.26Å; R103-K107 VanDerWaalsContact O-N 3.08Å |
| 104 | L | 98.7 | Very high | 98.4 | Very high | 70 Ų | 70 | 101.8 Ų | 101.8 | 37% | 0.366 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 178 | -72.2 | 173.3 | 0 | 0 | 0 | 111.5 | E100 N101 E102 A106 K107 I108 | E100-L104 HydrophobicContact CG-CD1 4.07Å; E100-L104 HydrophobicContact CG-CG 4.43Å; E100-L104 WeakPolarHBondContact O-CB 3.36Å; E100-L104 VanDerWaalsContact O-CG 3.27Å; E100-L104 WeakPolarHBondContact O-CG 3.4Å; E100-L104 PolarHBondContact O-N 2.89Å; N101-L104 PolarHBondContact O-N 2.71Å; N101-L104 VanDerWaalsContact O-N 3.09Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.96Å; L104-K107 WeakPolarHBondContact O-CB 3.5Å; L104-K107 PolarHBondContact O-N 2.93Å; L104-K107 VanDerWaalsContact O-N 3.16Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 PolarHBondContact O-N 3.32Å |
| 105 | E | 98.4 | Very high | 98.4 | Very high | 91 Ų | 91 | 104.5 Ų | 104.5 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 174.6 | -73.6 | -179.7 | -167.9 | 0 | 0 | 111.8 | N101 E102 K107 I108 K109 | N101-E105 WeakPolarHBondContact O-CG 3.34Å; N101-E105 PolarHBondContact O-N 3.29Å; E102-E105 PolarHBondContact O-N 3.5Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 3.45Å; E105-I108 PolarHBondContact O-N 2.93Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.93Å |
| 106 | A | 98.5 | Very high | 98.4 | Very high | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E102 L104 K109 L110 | E102-A106 WeakPolarHBondContact O-CB 3.5Å; E102-A106 PolarHBondContact O-N 2.85Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.96Å; A106-K109 PolarHBondContact O-N 3.24Å; A106-L110 PolarHBondContact O-N 3.44Å |
| 107 | K | 98.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 103.7 Ų | 103.7 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.5 | -172.9 | 173.8 | -178.3 | 178.7 | 0 | 112 | R103 L104 E105 L110 L111 | R103-K107 PolarHBondContact O-N 3.26Å; R103-K107 VanDerWaalsContact O-N 3.08Å; L104-K107 WeakPolarHBondContact O-CB 3.5Å; L104-K107 PolarHBondContact O-N 2.93Å; L104-K107 VanDerWaalsContact O-N 3.16Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 3.45Å; K107-L110 PolarHBondContact O-N 2.82Å; K107-L111 HydrophobicContact CG-CD1 4.11Å; K107-L111 WeakPolarHBondContact O-CG 3.33Å; K107-L111 PolarHBondContact O-N 2.98Å |
| 108 | I | 98.6 | Very high | 98.2 | Very high | 106 Ų | 106 | 103.9 Ų | 103.9 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 175.4 | -69.8 | 166.7 | 0 | 0 | 0 | 109.6 | L104 E105 L110 L111 T112 | L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 PolarHBondContact O-N 3.32Å; E105-I108 PolarHBondContact O-N 2.93Å; I108-L110 VanDerWaalsContact C-N 3.3Å; I108-L110 PolarHBondContact O-N 3.45Å; I108-L111 PolarHBondContact O-N 3.49Å; I108-T112 WeakPolarHBondContact O-CB 3.49Å; I108-T112 PolarHBondContact O-N 2.75Å; I108-T112 PolarHBondContact O-OG1 3.43Å |
| 109 | K | 98.4 | Very high | 98.1 | Very high | 142 Ų | 142 | 103.9 Ų | 103.9 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.1 | -43.5 | 179 | -73.5 | 171.4 | -174 | 168.8 | 0 | 112.4 | E105 A106 K113 | E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.93Å; A106-K109 PolarHBondContact O-N 3.24Å; K109-K113 PolarHBondContact O-N 2.9Å; K109-K113 VanDerWaalsContact O-N 3.08Å |
| 110 | L | 98.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 101.4 Ų | 101.4 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -53.6 | 177.2 | 178.9 | 64.9 | 0 | 0 | 0 | 111.4 | A106 K107 I108 T112 K113 E114 | A106-L110 PolarHBondContact O-N 3.44Å; K107-L110 PolarHBondContact O-N 2.82Å; I108-L110 VanDerWaalsContact C-N 3.3Å; I108-L110 PolarHBondContact O-N 3.45Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.02Å; L110-K113 WeakPolarHBondContact O-CB 3.35Å; L110-K113 PolarHBondContact O-N 3.42Å; L110-K113 VanDerWaalsContact O-N 3.08Å; L110-E114 WeakPolarHBondContact O-CG 3.41Å; L110-E114 PolarHBondContact O-N 3.43Å |
| 111 | L | 98.3 | Very high | 97.8 | Very high | 80 Ų | 80 | 100.4 Ų | 100.4 | 42% | 0.419 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | -179.1 | -67.8 | 173.8 | 0 | 0 | 0 | 111.9 | K107 I108 K113 E114 L115 | K107-L111 HydrophobicContact CG-CD1 4.11Å; K107-L111 WeakPolarHBondContact O-CG 3.33Å; K107-L111 PolarHBondContact O-N 2.98Å; I108-L111 PolarHBondContact O-N 3.49Å; L111-K113 VanDerWaalsContact C-N 3.31Å; L111-K113 PolarHBondContact O-N 3.36Å; L111-E114 PolarHBondContact O-N 2.93Å; L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 WeakPolarHBondContact O-CG 3.39Å; L111-L115 PolarHBondContact O-N 3.24Å |
| 112 | T | 98.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 103.6 Ų | 103.6 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 174.4 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | I108 L110 L115 S116 | I108-T112 WeakPolarHBondContact O-CB 3.49Å; I108-T112 PolarHBondContact O-N 2.75Å; I108-T112 PolarHBondContact O-OG1 3.43Å; L110-T112 VanDerWaalsContact C-N 3.3Å; L110-T112 PolarHBondContact O-N 3.02Å; T112-L115 PolarHBondContact O-N 2.85Å; T112-S116 PolarHBondContact O-N 3.23Å |
| 113 | K | 98.3 | Very high | 97.3 | Very high | 148 Ų | 148 | 102 Ų | 102 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 176.3 | -173.4 | 178.8 | 179.6 | 179.1 | 0 | 111.5 | K109 L110 L111 L115 S116 V117 | K109-K113 PolarHBondContact O-N 2.9Å; K109-K113 VanDerWaalsContact O-N 3.08Å; L110-K113 WeakPolarHBondContact O-CB 3.35Å; L110-K113 PolarHBondContact O-N 3.42Å; L110-K113 VanDerWaalsContact O-N 3.08Å; L111-K113 VanDerWaalsContact C-N 3.31Å; L111-K113 PolarHBondContact O-N 3.36Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.13Å; K113-S116 PolarHBondContact O-N 3Å; K113-V117 WeakPolarHBondContact O-CG2 3.45Å; K113-V117 PolarHBondContact O-N 2.83Å |
| 114 | E | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.9 | -70.4 | 175.3 | 175.7 | 0 | 0 | 111.6 | L110 L111 V117 L118 | L110-E114 WeakPolarHBondContact O-CG 3.41Å; L110-E114 PolarHBondContact O-N 3.43Å; L111-E114 PolarHBondContact O-N 2.93Å; E114-V117 PolarHBondContact O-N 2.96Å; E114-L118 WeakPolarHBondContact O-CG 3.16Å; E114-L118 PolarHBondContact O-N 3.37Å |
| 115 | L | 98.1 | Very high | 96.4 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 175.8 | -72.7 | 177.2 | 0 | 0 | 0 | 112.8 | L111 T112 K113 L118 K119 | L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 WeakPolarHBondContact O-CG 3.39Å; L111-L115 PolarHBondContact O-N 3.24Å; T112-L115 PolarHBondContact O-N 2.85Å; K113-L115 VanDerWaalsContact C-N 3.33Å; K113-L115 PolarHBondContact O-N 3.13Å; L115-L118 PolarHBondContact O-N 3.4Å; L115-K119 VanDerWaalsContact O-CB 3.31Å; L115-K119 WeakPolarHBondContact O-CB 3.43Å; L115-K119 PolarHBondContact O-N 2.85Å |
| 116 | S | 97.4 | Very high | 95.9 | Very high | 57 Ų | 57 | 101.7 Ų | 101.7 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 175 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | T112 K113 L118 K119 D120 | T112-S116 PolarHBondContact O-N 3.23Å; K113-S116 PolarHBondContact O-N 3Å; S116-L118 VanDerWaalsContact C-N 3.31Å; S116-L118 PolarHBondContact O-N 3.35Å; S116-K119 WeakPolarHBondContact O-CB 3.39Å; S116-K119 PolarHBondContact O-N 3.22Å; S116-K119 VanDerWaalsContact O-N 3.12Å; S116-D120 WeakPolarHBondContact O-CB 3.49Å; S116-D120 PolarHBondContact O-N 3.48Å; S116-D120 VanDerWaalsContact O-OD2 3.1Å; S116-D120 PolarHBondContact OG-OD2 2.69Å |
| 117 | V | 97 | Very high | 95 | Very high | 85 Ų | 85 | 104.7 Ų | 104.7 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.9 | -45 | 179.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | K113 E114 D120 L121 | K113-V117 WeakPolarHBondContact O-CG2 3.45Å; K113-V117 PolarHBondContact O-N 2.83Å; E114-V117 PolarHBondContact O-N 2.96Å; V117-D120 PolarHBondContact O-N 2.93Å; V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 PolarHBondContact O-N 3.42Å |
| 118 | L | 96.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.8 | -71.2 | 172.7 | 0 | 0 | 0 | 111.5 | E114 L115 S116 D120 L121 F122 | E114-L118 WeakPolarHBondContact O-CG 3.16Å; E114-L118 PolarHBondContact O-N 3.37Å; L115-L118 PolarHBondContact O-N 3.4Å; S116-L118 VanDerWaalsContact C-N 3.31Å; S116-L118 PolarHBondContact O-N 3.35Å; L118-D120 VanDerWaalsContact C-N 3.35Å; L118-D120 PolarHBondContact O-N 3Å; L118-L121 PolarHBondContact O-N 2.76Å; L118-F122 WeakPolarHBondContact O-CD2 3.5Å; L118-F122 PolarHBondContact O-N 3.24Å |
| 119 | K | 96.4 | Very high | 92.8 | Very high | 135 Ų | 135 | 104.2 Ų | 104.2 | 59% | 0.587 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.8 | -46.3 | 177.6 | -177.4 | -174.7 | 175.1 | -171.7 | 0 | 111.4 | L115 S116 L121 F122 L123 | L115-K119 VanDerWaalsContact O-CB 3.31Å; L115-K119 WeakPolarHBondContact O-CB 3.43Å; L115-K119 PolarHBondContact O-N 2.85Å; S116-K119 WeakPolarHBondContact O-CB 3.39Å; S116-K119 PolarHBondContact O-N 3.22Å; S116-K119 VanDerWaalsContact O-N 3.12Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.83Å; K119-F122 PolarHBondContact O-N 3.36Å; K119-L123 HydrophobicContact CG-CD1 4.1Å; K119-L123 WeakPolarHBondContact O-CG 3.29Å; K119-L123 PolarHBondContact O-N 2.78Å |
| 120 | D | 95.2 | Very high | 91.3 | Very high | 84 Ų | 84 | 100.6 Ų | 100.6 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | -179.5 | -62.7 | -25.8 | 0 | 0 | 0 | 110.4 | S116 V117 L118 F122 L123 E124 | S116-D120 WeakPolarHBondContact O-CB 3.49Å; S116-D120 PolarHBondContact O-N 3.48Å; S116-D120 VanDerWaalsContact O-OD2 3.1Å; S116-D120 PolarHBondContact OG-OD2 2.69Å; V117-D120 PolarHBondContact O-N 2.93Å; L118-D120 VanDerWaalsContact C-N 3.35Å; L118-D120 PolarHBondContact O-N 3Å; D120-F122 PolarHBondContact O-N 2.93Å; D120-L123 PolarHBondContact O-N 3.33Å; D120-E124 WeakPolarHBondContact O-CB 3.32Å; D120-E124 PolarHBondContact O-N 3.02Å |
| 121 | L | 95.3 | Very high | 89.6 | Confident | 80 Ų | 80 | 101 Ų | 101 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.4 | -176.7 | 63 | 0 | 0 | 0 | 112.7 | V117 L118 K119 L123 E124 H125 | V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 PolarHBondContact O-N 3.42Å; L118-L121 PolarHBondContact O-N 2.76Å; K119-L121 VanDerWaalsContact C-N 3.33Å; K119-L121 PolarHBondContact O-N 2.83Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L121-E124 PolarHBondContact O-N 2.9Å; L121-H125 PolarHBondContact O-N 3.23Å |
| 122 | F | 94 | Very high | 87.7 | Confident | 154 Ų | 154 | 104.1 Ų | 104.1 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 176.3 | -84.4 | -69.9 | 0 | 0 | 0 | 112.2 | L118 K119 D120 A126 | L118-F122 WeakPolarHBondContact O-CD2 3.5Å; L118-F122 PolarHBondContact O-N 3.24Å; K119-F122 PolarHBondContact O-N 3.36Å; D120-F122 PolarHBondContact O-N 2.93Å; F122-A126 WeakPolarHBondContact O-CB 3.34Å; F122-A126 PolarHBondContact O-N 3.4Å |
| 123 | L | 93.4 | Very high | 85.6 | Confident | 102 Ų | 102 | 105 Ų | 105 | 53% | 0.534 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -42.2 | 177.9 | -73 | 174.4 | 0 | 0 | 0 | 111.9 | K119 D120 L121 A126 H127 | K119-L123 HydrophobicContact CG-CD1 4.1Å; K119-L123 WeakPolarHBondContact O-CG 3.29Å; K119-L123 PolarHBondContact O-N 2.78Å; D120-L123 PolarHBondContact O-N 3.33Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L123-A126 PolarHBondContact O-N 3.04Å; L123-H127 WeakPolarHBondContact O-CB 3.47Å; L123-H127 PolarHBondContact O-N 2.71Å |
| 124 | E | 90.5 | Very high | 83.5 | Confident | 119 Ų | 119 | 105.8 Ų | 105.8 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.5 | -45.9 | 176 | -176.2 | 173.9 | -174.9 | 0 | 0 | 111.1 | D120 L121 A126 H127 N128 | D120-E124 WeakPolarHBondContact O-CB 3.32Å; D120-E124 PolarHBondContact O-N 3.02Å; L121-E124 PolarHBondContact O-N 2.9Å; E124-A126 PolarHBondContact O-N 3.49Å; E124-H127 PolarHBondContact O-N 3.45Å; E124-N128 WeakPolarHBondContact O-CB 3.36Å; E124-N128 PolarHBondContact O-N 2.95Å; E124-N128 PolarHBondContact O-ND2 2.88Å |
| 125 | H | 88.7 | Confident | 81.5 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.9 | -39.2 | 176.8 | -77.7 | -159.5 | 0 | 0 | 0 | 112.9 | L121 L129 | L121-H125 PolarHBondContact O-N 3.23Å; H125-L129 WeakPolarHBondContact O-CB 3.48Å; H125-L129 PolarHBondContact O-N 3.3Å |
| 126 | A | 86.6 | Confident | 79.3 | Confident | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.6 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F122 L123 E124 L129 A130 | F122-A126 WeakPolarHBondContact O-CB 3.34Å; F122-A126 PolarHBondContact O-N 3.4Å; L123-A126 PolarHBondContact O-N 3.04Å; E124-A126 PolarHBondContact O-N 3.49Å; A126-L129 PolarHBondContact O-N 3.08Å; A126-A130 PolarHBondContact O-N 3.44Å |
| 127 | H | 79.6 | Confident | 77 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.1 | -45.7 | 175.6 | -164.3 | -75.7 | 0 | 0 | 0 | 111.5 | L123 E124 L129 A130 D131 | L123-H127 WeakPolarHBondContact O-CB 3.47Å; L123-H127 PolarHBondContact O-N 2.71Å; E124-H127 PolarHBondContact O-N 3.45Å; H127-L129 PolarHBondContact O-N 3.2Å; H127-A130 PolarHBondContact O-N 3.14Å; H127-A130 VanDerWaalsContact O-N 3.12Å; H127-D131 IonicContact CE1-OD1 3.84Å; H127-D131 IonicContact CE1-OD2 3.03Å; H127-D131 PolarHBondContact CE1-OD2 3.25Å; H127-D131 IonicContact ND1-OD2 3.46Å; H127-D131 PolarHBondContact ND1-OD2 2.66Å; H127-D131 PolarHBondContact O-N 3.01Å |
| 128 | N | 76.3 | Confident | 75 | Confident | 91 Ų | 91 | 110.6 Ų | 110.6 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.1 | -32.6 | 174.8 | -80.9 | -79.5 | 0 | 0 | 0 | 112.6 | E124 N132 | E124-N128 WeakPolarHBondContact O-CB 3.36Å; E124-N128 PolarHBondContact O-N 2.95Å; E124-N128 PolarHBondContact O-ND2 2.88Å; N128-N132 PolarHBondContact O-N 2.93Å |
| 129 | L | 75.1 | Confident | 72.6 | Confident | 123 Ų | 123 | 114.4 Ų | 114.4 | 64% | 0.644 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.8 | -37.7 | 174.6 | -174.7 | 61.1 | 0 | 0 | 0 | 112.2 | H125 A126 H127 | H125-L129 WeakPolarHBondContact O-CB 3.48Å; H125-L129 PolarHBondContact O-N 3.3Å; A126-L129 PolarHBondContact O-N 3.08Å; H127-L129 PolarHBondContact O-N 3.2Å |
| 130 | A | 66.9 | Low | 70.2 | Confident | 67 Ų | 67 | 113.7 Ų | 113.7 | 55% | 0.554 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.4 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A126 H127 V133 | A126-A130 PolarHBondContact O-N 3.44Å; H127-A130 PolarHBondContact O-N 3.14Å; H127-A130 VanDerWaalsContact O-N 3.12Å; A130-V133 PolarHBondContact O-N 3.04Å |
| 131 | D | 61.7 | Low | 67.8 | Low | 104 Ų | 104 | 115.6 Ų | 115.6 | 56% | 0.556 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.3 | -27.6 | 178.5 | -71.5 | -32.4 | 0 | 0 | 0 | 113.2 | H127 V133 | H127-D131 IonicContact CE1-OD1 3.84Å; H127-D131 IonicContact CE1-OD2 3.03Å; H127-D131 PolarHBondContact CE1-OD2 3.25Å; H127-D131 IonicContact ND1-OD2 3.46Å; H127-D131 PolarHBondContact ND1-OD2 2.66Å; H127-D131 PolarHBondContact O-N 3.01Å; D131-V133 VanDerWaalsContact C-N 3.29Å; D131-V133 PolarHBondContact O-N 2.95Å |
| 132 | N | 58.5 | Low | 65.7 | Low | 147 Ų | 147 | 117.6 Ų | 117.6 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -6.2 | 176 | -115 | -10.6 | 0 | 0 | 0 | 113.7 | N128 | N128-N132 PolarHBondContact O-N 2.93Š|
| 133 | V | 55.7 | Low | 63.7 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -98.8 | 81.7 | 167.7 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | A130 D131 | A130-V133 PolarHBondContact O-N 3.04Å; D131-V133 VanDerWaalsContact C-N 3.29Å; D131-V133 PolarHBondContact O-N 2.95Å |
| 134 | Q | 54.2 | Low | 62.2 | Low | 164 Ų | 164 | 118.8 Ų | 118.8 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | trans | -48.1 | 133.5 | 165.9 | -83.1 | -104.8 | -7.8 | 0 | 0 | 109.6 | V136 | Q134-V136 PolarHBondContact O-N 2.88Š| ||
| 135 | P | 53.4 | Low | 60.7 | Low | 110 Ų | 110 | 119 Ų | 119 | 71% | 0.714 | 69% | 0.694 | S | S | * | * | trans | -66.2 | 105.1 | 168.2 | 28.3 | -30.4 | 0 | 0 | 0 | 106.8 | G137 | P135-G137 PolarHBondContact O-N 3.46Š| ||
| 136 | V | 53 | Low | 59.2 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | trans | -56.4 | 113 | 165 | 108.2 | 0 | 0 | 0 | 0 | 105.6 | Q134 T138 | Q134-V136 PolarHBondContact O-N 2.88Å; V136-T138 PolarHBondContact O-N 2.79Å | ||
| 137 | G | 49.1 | Very low | 57.7 | Low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | -56.4 | 126.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P135 E139 | P135-G137 PolarHBondContact O-N 3.46Å; G137-E139 VanDerWaalsContact C-N 3.33Å; G137-E139 PolarHBondContact O-N 3.27Å | ||
| 138 | T | 53.9 | Low | 56.6 | Low | 147 Ų | 147 | 128.4 Ų | 128.4 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | -78.1 | 83.4 | 163.4 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | V136 | V136-T138 PolarHBondContact O-N 2.79Š| ||
| 139 | E | 47.6 | Very low | 55.5 | Low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -133 | 120.6 | 164.5 | -49.3 | -161.4 | 179.8 | 0 | 0 | 104.3 | G137 | G137-E139 VanDerWaalsContact C-N 3.33Å; G137-E139 PolarHBondContact O-N 3.27Å | ||
| 140 | T | 45.4 | Very low | 53.8 | Low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | -167.2 | 129.3 | 50.1 | 48.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 141 | T | 45.9 | Very low | 53.2 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | 76.8 | 121 | 93.1 | -53.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 142 | T | 50 | Low | 52.7 | Low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 89.7 | 94.3 | 153.2 | -54 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 143 | T | 53.2 | Low | 52.4 | Low | 128 Ų | 128 | 139.1 Ų | 139.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -40.1 | 131.8 | 147.5 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 144 | N | 61.7 | Low | 52.2 | Low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -20.1 | 143.7 | 158.2 | -75 | -12.9 | 0 | 0 | 0 | 116.6 | ||||
| 145 | P | 57.8 | Low | 52.1 | Low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -104.9 | 117.3 | 136.1 | 30.8 | -20.1 | 0 | 0 | 0 | 110.2 | ||||
| 146 | E | 57.7 | Low | 52 | Low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -54.8 | 140.9 | 152.2 | -78.7 | 173 | 99.9 | 0 | 0 | 110 | ||||
| 147 | N | 54.3 | Low | 51.9 | Low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | 150.6 | 127.6 | 106.8 | -165.7 | 20.6 | 0 | 0 | 0 | 111.3 | |||||
| 148 | N | 56.8 | Low | 52.1 | Low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | -102.9 | 120.6 | 179.3 | -173.3 | 31 | 0 | 0 | 0 | 106.6 | ||||
| 149 | G | 53.3 | Low | 52 | Low | 62 Ų | 62 | 148.1 Ų | 148.1 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | trans | 169.1 | 106.1 | 175 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 150 | Q | 40.1 | Very low | 52.4 | Low | 276 Ų | 276 | 145.9 Ų | 145.9 | 100% | 1.29 | 83% | 0.828 | S | S | * | * | trans | 79.2 | 0 | 157.7 | -69.1 | 175.1 | -54 | 0 | 0 | 119.1 |
Retrieved 150 of 150 residues in 20.3 ms
(Link to these results)