| 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 | 38.3 | Very low | 42.9 | Very low | 238 Ų | 238 | 145.1 Ų | 145.1 | 100% | 1.172 | 83% | 0.825 | S | S | * | * | 0 | 111.9 | 0 | -68.5 | -175.4 | -98.7 | 0 | 0 | 105.5 | |||||
| 2 | E | 42.5 | Very low | 42.7 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | cis | -156.8 | 128.1 | 4.8 | -76.2 | 176.5 | 148.7 | 0 | 0 | 102.5 | ||||
| 3 | A | 44.3 | Very low | 43 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | 46 | 111.1 | 81.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 4 | G | 40.1 | Very low | 42.7 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | 175.7 | 66.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | I | 47.1 | Very low | 42.4 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | 86 | 113.8 | 92.4 | -66.1 | 164.6 | 0 | 0 | 0 | 111.9 | |||||
| 6 | L | 45.7 | Very low | 41.7 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -65.4 | 145 | 165.6 | -65.6 | 157.8 | 0 | 0 | 0 | 111.2 | ||||
| 7 | Q | 42.3 | Very low | 41.1 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -164 | 102.2 | 152.4 | -105.1 | 165.2 | 8.6 | 0 | 0 | 106.4 | ||||
| 8 | S | 38.6 | Very low | 40.6 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | 78.8 | 120.3 | 87 | 75 | 0 | 0 | 0 | 0 | 112 | |||||
| 9 | D | 38.2 | Very low | 40.2 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | 173.2 | 88.3 | 120.3 | -78.6 | -9.2 | 0 | 0 | 0 | 109.3 | |||||
| 10 | D | 46.4 | Very low | 39.7 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -78.9 | 133.5 | 153.5 | -80.6 | -35.2 | 0 | 0 | 0 | 108.1 | F12 | D10-F12 HydrophobicContact CB-CD2 4.49Š| ||
| 11 | P | 48 | Very low | 39.4 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -105.7 | 90.6 | 157.7 | 8.8 | 11.9 | 0 | 0 | 0 | 109.1 | ||||
| 12 | F | 40.6 | Very low | 39.3 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -76.4 | 124.7 | 150.8 | -86.4 | -84.5 | 0 | 0 | 0 | 108.2 | D10 W14 | D10-F12 HydrophobicContact CB-CD2 4.49Å; F12-W14 PolarHBondContact O-N 2.72Å | ||
| 13 | P | 47 | Very low | 39 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -88.4 | 102.3 | 170.3 | 32.4 | -26.1 | 0 | 0 | 0 | 109.2 | ||||
| 14 | W | 38 | Very low | 38.9 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -110.3 | 109.5 | 153.3 | -82 | 77 | 0 | 0 | 0 | 107.9 | F12 | F12-W14 PolarHBondContact O-N 2.72Š| ||
| 15 | A | 38.1 | Very low | 39 | Very low | 87 Ų | 87 | 149.9 Ų | 149.9 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | 177.7 | 138.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 16 | E | 31.8 | Very low | 38.9 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | cis | -163.6 | 126.4 | 1.8 | -96.6 | 162.8 | 169.4 | 0 | 0 | 103.7 | ||||
| 17 | S | 31.2 | Very low | 38.6 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | 47.5 | 124.7 | 105.8 | -161.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 18 | S | 32.6 | Very low | 38.9 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 66.9 | 107.9 | 147.7 | -63.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 19 | Q | 33.5 | Very low | 38.9 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 155.8 | 109 | 99.6 | -160.7 | 111.4 | -9.1 | 0 | 0 | 107.8 | |||||
| 20 | N | 30.1 | Very low | 39 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -172.9 | 100.9 | 140 | -89.5 | -13.3 | 0 | 0 | 0 | 108 | ||||
| 21 | C | 33.3 | Very low | 39.2 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | -78.2 | 165.2 | 160.5 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 22 | L | 36.8 | Very low | 38.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 84.2 | 120.3 | 169.4 | -46.5 | 177.9 | 0 | 0 | 0 | 112.2 | ||||
| 23 | D | 35.9 | Very low | 38.7 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | cis | -159.5 | 141.1 | 8.6 | -78.9 | -47.2 | 0 | 0 | 0 | 106 | ||||
| 24 | E | 40.7 | Very low | 38.6 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | 176.5 | 59.5 | 140.1 | -96.8 | -160.8 | 159.6 | 0 | 0 | 109.9 | ||||
| 25 | E | 43.3 | Very low | 38.5 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -96.7 | 82.8 | 161.2 | -168.2 | 177.1 | 177.5 | 0 | 0 | 107.7 | ||||
| 26 | A | 43.8 | Very low | 38.7 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 55.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 27 | A | 40.3 | Very low | 38.8 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -147.6 | 28 | 164 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 28 | L | 47.8 | Very low | 39.5 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | -112.1 | 81.5 | 162.4 | -70.5 | 176 | 0 | 0 | 0 | 108.6 | ||||
| 29 | R | 39.1 | Very low | 39.6 | Very low | 206 Ų | 206 | 149.2 Ų | 149.2 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -125.6 | 95.1 | 166.3 | -159.9 | -177 | -88.5 | -154.7 | 0.4 | 107.9 | ||||
| 30 | G | 41.5 | Very low | 40.3 | Very low | 54 Ų | 54 | 147.3 Ų | 147.3 | 56% | 0.557 | 80% | 0.801 | S | S | * | * | trans | -53.2 | 155.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | K32 | G30-K32 PolarHBondContact O-N 3.11Š| ||
| 31 | P | 48.8 | Very low | 40.6 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -64.5 | 107.6 | 176 | 25.1 | -29.4 | 0 | 0 | 0 | 108.5 | S33 | P31-S33 PolarHBondContact O-N 3.24Š| ||
| 32 | K | 37.3 | Very low | 40.9 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -55.8 | 119.8 | 168.2 | -69.4 | 177.8 | 174.2 | -177.6 | 0 | 107.9 | G30 | G30-K32 PolarHBondContact O-N 3.11Š| ||
| 33 | S | 42.7 | Very low | 41 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -52.3 | 134.6 | 167.4 | -47.6 | 0 | 0 | 0 | 0 | 109.4 | P31 V35 | P31-S33 PolarHBondContact O-N 3.24Å; S33-V35 PolarHBondContact O-N 3.42Å | ||
| 34 | P | 44.2 | Very low | 40.9 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -68.8 | 110.1 | 170 | 27 | -29.1 | 0 | 0 | 0 | 108 | L36 | P34-L36 PolarHBondContact O-N 3.29Š| ||
| 35 | V | 35.5 | Very low | 41.2 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -54.2 | 114.8 | 161.6 | 169.6 | 0 | 0 | 0 | 0 | 107 | S33 E37 | S33-V35 PolarHBondContact O-N 3.42Å; V35-E37 VanDerWaalsContact C-N 3.27Å; V35-E37 PolarHBondContact O-N 2.87Å | ||
| 36 | L | 42.7 | Very low | 41 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -67.5 | 90.9 | 167.5 | -79.9 | 164 | 0 | 0 | 0 | 107.8 | P34 R38 | P34-L36 PolarHBondContact O-N 3.29Å; L36-R38 PolarHBondContact O-N 3.36Å | ||
| 37 | E | 33.6 | Very low | 40.8 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 107.6 | 167 | -113.1 | -172.6 | 168.2 | 0 | 0 | 108.9 | V35 N39 | V35-E37 VanDerWaalsContact C-N 3.27Å; V35-E37 PolarHBondContact O-N 2.87Å; E37-N39 PolarHBondContact O-N 3.03Å | ||
| 38 | R | 45.1 | Very low | 40.9 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 102.4 | 173.8 | -176.7 | -172.3 | -76.4 | 155.8 | -9.9 | 108.3 | L36 L40 | L36-R38 PolarHBondContact O-N 3.36Å; R38-L40 VanDerWaalsContact C-N 3.3Å; R38-L40 HydrophobicContact CG-CD1 4.04Å; R38-L40 HydrophobicContact CG-CG 4.04Å; R38-L40 PolarHBondContact O-N 2.99Å | ||
| 39 | N | 35.4 | Very low | 40.5 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -74.4 | 88.3 | 162.3 | -75.6 | -61.3 | 0 | 0 | 0 | 109.1 | E37 | E37-N39 PolarHBondContact O-N 3.03Š| ||
| 40 | L | 47.8 | Very low | 40.4 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | trans | -92.5 | 115.8 | 153.6 | -85.4 | 162.1 | 0 | 0 | 0 | 106.4 | R38 | R38-L40 VanDerWaalsContact C-N 3.3Å; R38-L40 HydrophobicContact CG-CD1 4.04Å; R38-L40 HydrophobicContact CG-CG 4.04Å; R38-L40 PolarHBondContact O-N 2.99Å | ||
| 41 | E | 36.6 | Very low | 40.2 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 179.4 | 155.8 | 157.6 | -91.5 | -43.4 | 122.6 | 0 | 0 | 107 | ||||
| 42 | P | 40.5 | Very low | 40.1 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | -118 | 171.5 | -68.2 | 26 | -6.6 | 0 | 0 | 0 | 111.3 | G44 | P42-G44 PolarHBondContact O-N 3.27Š| |||
| 43 | A | 39.4 | Very low | 40.2 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -49.5 | 104.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N45 | A43-N45 PolarHBondContact O-N 3.28Å; A43-N45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | G | 33.5 | Very low | 40 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -74.2 | 94.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P42 S46 | P42-G44 PolarHBondContact O-N 3.27Å; G44-S46 PolarHBondContact O-N 2.93Å; G44-S46 VanDerWaalsContact O-N 3.11Å | ||
| 45 | N | 46.1 | Very low | 40.1 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -57 | 111.5 | 171.3 | -63.3 | -24.8 | 0 | 0 | 0 | 109.8 | A43 | A43-N45 PolarHBondContact O-N 3.28Å; A43-N45 VanDerWaalsContact O-N 3.16Å | ||
| 46 | S | 39.3 | Very low | 40.8 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -139.5 | 90 | 159.2 | -77 | 0 | 0 | 0 | 0 | 107.5 | G44 P48 | G44-S46 PolarHBondContact O-N 2.93Å; G44-S46 VanDerWaalsContact O-N 3.11Å; S46-P48 VanDerWaalsContact O-CD 3.3Å; S46-P48 WeakPolarHBondContact O-CD 3.39Å | ||
| 47 | S | 39.8 | Very low | 41.1 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -57.4 | 123.7 | 164.7 | -72 | 0 | 0 | 0 | 0 | 109.7 | Q49 | S47-Q49 PolarHBondContact O-N 3.27Š| ||
| 48 | P | 42.8 | Very low | 42 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -75.5 | 111.5 | 156 | -7.2 | 25.7 | 0 | 0 | 0 | 107.2 | S46 I50 | S46-P48 VanDerWaalsContact O-CD 3.3Å; S46-P48 WeakPolarHBondContact O-CD 3.39Å; P48-I50 PolarHBondContact O-N 3.34Å | ||
| 49 | Q | 37.9 | Very low | 42.3 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -50.6 | 115.9 | 169.5 | -158.6 | 175 | -2.2 | 0 | 0 | 109.2 | S47 S51 | S47-Q49 PolarHBondContact O-N 3.27Å; Q49-S51 PolarHBondContact O-N 3.03Å | ||
| 50 | I | 37.6 | Very low | 43.4 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | trans | -70.3 | 96.7 | 174.6 | -60.2 | 171 | 0 | 0 | 0 | 107.2 | P48 A52 | P48-I50 PolarHBondContact O-N 3.34Å; I50-A52 PolarHBondContact O-N 3.05Å | ||
| 51 | S | 38.3 | Very low | 44.5 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -83 | 106.2 | 161.4 | -70.4 | 0 | 0 | 0 | 0 | 108.4 | Q49 S53 | Q49-S51 PolarHBondContact O-N 3.03Å; S51-S53 PolarHBondContact O-N 3.34Å | ||
| 52 | A | 45.7 | Very low | 46.1 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -65.6 | 116.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I50 | I50-A52 PolarHBondContact O-N 3.05Š| ||
| 53 | S | 39.4 | Very low | 47.8 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | -165.2 | 100.3 | 150 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | S51 | S51-S53 PolarHBondContact O-N 3.34Š| ||
| 54 | S | 39 | Very low | 49.9 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | trans | 62.9 | 161.7 | 147.6 | -76.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 55 | P | 45.3 | Very low | 52.5 | Low | 103 Ų | 103 | 119.1 Ų | 119.1 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | cis | -115.9 | 163.3 | -28.2 | 23.2 | -3.5 | 0 | 0 | 0 | 110.5 | Q57 | P55-Q57 VanDerWaalsContact C-N 3.34Å; P55-Q57 PolarHBondContact O-N 3.38Å | ||
| 56 | R | 50.9 | Low | 54.5 | Low | 249 Ų | 249 | 114.3 Ų | 114.3 | 94% | 0.94 | 66% | 0.663 | S | S | * | * | trans | -53.6 | 96.8 | 166.3 | -75.6 | -178.3 | 167.8 | -146.7 | -2.1 | 109.6 | T58 | R56-T58 PolarHBondContact O-N 2.95Š| ||
| 57 | Q | 49.9 | Very low | 57 | Low | 125 Ų | 125 | 114.1 Ų | 114.1 | 58% | 0.584 | 65% | 0.648 | S | S | * | * | trans | -82.2 | 107 | 169.5 | -143.8 | 171.4 | 93 | 0 | 0 | 105.5 | P55 V59 | P55-Q57 VanDerWaalsContact C-N 3.34Å; P55-Q57 PolarHBondContact O-N 3.38Å; Q57-V59 WeakPolarHBondContact O-CG2 3.46Å; Q57-V59 PolarHBondContact O-N 3.03Å | ||
| 58 | T | 52.6 | Low | 59.6 | Low | 134 Ų | 134 | 113.9 Ų | 113.9 | 82% | 0.822 | 64% | 0.637 | S | S | * | * | trans | -63 | 89.3 | 166.9 | 47 | 0 | 0 | 0 | 0 | 107.2 | R56 T60 | R56-T58 PolarHBondContact O-N 2.95Å; T58-T60 PolarHBondContact O-N 2.99Å | ||
| 59 | V | 50.2 | Low | 62.1 | Low | 56 Ų | 56 | 112.7 Ų | 112.7 | 34% | 0.339 | 62% | 0.624 | S | S | . | * | trans | -71 | 119.2 | 176.8 | -164.8 | 0 | 0 | 0 | 0 | 106.8 | Q57 R63 N64 | Q57-V59 WeakPolarHBondContact O-CG2 3.46Å; Q57-V59 PolarHBondContact O-N 3.03Å; V59-R63 HydrophobicContact CG1-CB 3.78Å; V59-R63 HydrophobicContact CG1-CG 4.03Å; V59-N64 WeakPolarHBondContact CG1-OD1 3.5Å | ||
| 60 | T | 59.8 | Low | 64.8 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | trans | -58.7 | 135.5 | 171 | 51.2 | 0 | 0 | 0 | 0 | 108.2 | T58 T62 R63 | T58-T60 PolarHBondContact O-N 2.99Å; T60-T62 PolarHBondContact O-N 3.26Å; T60-T62 PolarHBondContact OG1-OG1 3.06Å; T60-R63 PolarHBondContact O-N 2.9Å | ||
| 61 | P | 69.1 | Low | 67.5 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -48.9 | -34 | -177 | -29.1 | 33.6 | 0 | 0 | 0 | 113.5 | R63 N64 I65 | P61-R63 PolarHBondContact O-N 2.79Å; P61-N64 PolarHBondContact O-N 3.14Å; P61-I65 WeakPolarHBondContact O-CD1 3.46Å; P61-I65 WeakPolarHBondContact O-CG1 3.37Å; P61-I65 PolarHBondContact O-N 3.22Å |
| 62 | T | 70.6 | Confident | 70.2 | Confident | 99 Ų | 99 | 107.9 Ų | 107.9 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.6 | -35.9 | 178 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | T60 S66 | T60-T62 PolarHBondContact O-N 3.26Å; T60-T62 PolarHBondContact OG1-OG1 3.06Å; T62-S66 PolarHBondContact O-N 3.28Å |
| 63 | R | 76.1 | Confident | 72.6 | Confident | 121 Ų | 121 | 106.6 Ų | 106.6 | 46% | 0.457 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.4 | -41.6 | 177.8 | -177.2 | 171.4 | -178.9 | -162.4 | -2.9 | 111.4 | V59 T60 P61 S66 F67 | V59-R63 HydrophobicContact CG1-CB 3.78Å; V59-R63 HydrophobicContact CG1-CG 4.03Å; T60-R63 PolarHBondContact O-N 2.9Å; P61-R63 PolarHBondContact O-N 2.79Å; R63-S66 PolarHBondContact O-N 2.91Å; R63-S66 PolarHBondContact O-OG 3.26Å; R63-F67 HydrophobicContact CG-CD2 4.04Å; R63-F67 HydrophobicContact CG-CE2 3.64Å; R63-F67 WeakPolarHBondContact O-CD2 3.46Å; R63-F67 PolarHBondContact O-N 3.11Å |
| 64 | N | 83.8 | Confident | 75.3 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -42.2 | 173.6 | -72.1 | -21.8 | 0 | 0 | 0 | 111.8 | V59 P61 S66 F67 L68 | V59-N64 WeakPolarHBondContact CG1-OD1 3.5Å; P61-N64 PolarHBondContact O-N 3.14Å; N64-S66 VanDerWaalsContact C-N 3.32Å; N64-S66 PolarHBondContact O-N 2.88Å; N64-F67 PolarHBondContact O-N 3.17Å; N64-L68 WeakPolarHBondContact O-CG 3.29Å; N64-L68 PolarHBondContact O-N 2.87Å; N64-L68 VanDerWaalsContact O-N 3.15Å |
| 65 | I | 88.1 | Confident | 78.1 | Confident | 95 Ų | 95 | 104 Ų | 104 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 175.7 | -68.1 | 161.7 | 0 | 0 | 0 | 110.8 | P61 F67 L68 L69 | P61-I65 WeakPolarHBondContact O-CD1 3.46Å; P61-I65 WeakPolarHBondContact O-CG1 3.37Å; P61-I65 PolarHBondContact O-N 3.22Å; I65-F67 PolarHBondContact O-N 3.09Å; I65-L68 PolarHBondContact O-N 3.41Å; I65-L69 HydrophobicContact CG2-CD1 4.09Å; I65-L69 WeakPolarHBondContact O-CG 3.27Å; I65-L69 PolarHBondContact O-N 2.99Å |
| 66 | S | 88.8 | Confident | 80.5 | Confident | 46 Ų | 46 | 106.2 Ų | 106.2 | 32% | 0.322 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 179.3 | 71.5 | 0 | 0 | 0 | 0 | 114.5 | T62 R63 N64 K70 | T62-S66 PolarHBondContact O-N 3.28Å; R63-S66 PolarHBondContact O-N 2.91Å; R63-S66 PolarHBondContact O-OG 3.26Å; N64-S66 VanDerWaalsContact C-N 3.32Å; N64-S66 PolarHBondContact O-N 2.88Å; S66-K70 WeakPolarHBondContact O-CG 3.45Å; S66-K70 PolarHBondContact O-N 3.5Å; S66-K70 VanDerWaalsContact O-N 3.15Å |
| 67 | F | 91.6 | Very high | 82.8 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 47% | 0.474 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 176.2 | -79.2 | -65.2 | 0 | 0 | 0 | 111.2 | R63 N64 I65 L69 K70 E71 | R63-F67 HydrophobicContact CG-CD2 4.04Å; R63-F67 HydrophobicContact CG-CE2 3.64Å; R63-F67 WeakPolarHBondContact O-CD2 3.46Å; R63-F67 PolarHBondContact O-N 3.11Å; N64-F67 PolarHBondContact O-N 3.17Å; I65-F67 PolarHBondContact O-N 3.09Å; F67-L69 VanDerWaalsContact C-N 3.33Å; F67-L69 PolarHBondContact O-N 3.25Å; F67-K70 PolarHBondContact O-N 3.14Å; F67-E71 WeakPolarHBondContact O-CB 3.39Å; F67-E71 PolarHBondContact O-N 3.37Å |
| 68 | L | 93.8 | Very high | 85 | Confident | 113 Ų | 113 | 99.4 Ų | 99.4 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 176.8 | -70.3 | 169.7 | 0 | 0 | 0 | 112.4 | N64 I65 E71 L72 | N64-L68 WeakPolarHBondContact O-CG 3.29Å; N64-L68 PolarHBondContact O-N 2.87Å; N64-L68 VanDerWaalsContact O-N 3.15Å; I65-L68 PolarHBondContact O-N 3.41Å; L68-E71 PolarHBondContact O-N 3.26Å; L68-L72 VanDerWaalsContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CB 3.23Å; L68-L72 PolarHBondContact O-N 3.37Å |
| 69 | L | 94.8 | Very high | 87.2 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 174.5 | -72.8 | 172 | 0 | 0 | 0 | 112 | I65 F67 E71 L72 D73 | I65-L69 HydrophobicContact CG2-CD1 4.09Å; I65-L69 WeakPolarHBondContact O-CG 3.27Å; I65-L69 PolarHBondContact O-N 2.99Å; F67-L69 VanDerWaalsContact C-N 3.33Å; F67-L69 PolarHBondContact O-N 3.25Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.94Å; L69-L72 WeakPolarHBondContact O-CB 3.18Å; L69-L72 PolarHBondContact O-N 3.49Å; L69-D73 WeakPolarHBondContact O-CB 3.44Å; L69-D73 VanDerWaalsContact O-CG 3.27Å; L69-D73 PolarHBondContact O-N 3.01Å |
| 70 | K | 94.6 | Very high | 89.4 | Confident | 141 Ų | 141 | 99.8 Ų | 99.8 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 175.6 | -73.7 | 175.9 | -179.9 | -176.9 | 0 | 112.5 | S66 F67 D73 A74 | S66-K70 WeakPolarHBondContact O-CG 3.45Å; S66-K70 PolarHBondContact O-N 3.5Å; S66-K70 VanDerWaalsContact O-N 3.15Å; F67-K70 PolarHBondContact O-N 3.14Å; K70-D73 PolarHBondContact O-N 3.47Å; K70-A74 WeakPolarHBondContact O-CB 3.28Å; K70-A74 PolarHBondContact O-N 3.13Å |
| 71 | E | 94.3 | Very high | 91.3 | Very high | 126 Ų | 126 | 102.1 Ų | 102.1 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.1 | -40.7 | 176.4 | -169.3 | 169.7 | -164.9 | 0 | 0 | 111.1 | F67 L68 L69 D73 A74 M75 | F67-E71 WeakPolarHBondContact O-CB 3.39Å; F67-E71 PolarHBondContact O-N 3.37Å; L68-E71 PolarHBondContact O-N 3.26Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 2.94Å; E71-D73 PolarHBondContact O-N 3.45Å; E71-A74 PolarHBondContact O-N 3.35Å; E71-M75 WeakPolarHBondContact O-CB 3.36Å; E71-M75 VanDerWaalsContact O-CG 3.25Å; E71-M75 WeakPolarHBondContact O-CG 3.43Å; E71-M75 PolarHBondContact O-N 2.77Å |
| 72 | L | 96.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 101.8 Ų | 101.8 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 172.9 | -174.4 | 69.7 | 0 | 0 | 0 | 111.9 | L68 L69 M75 R76 | L68-L72 VanDerWaalsContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CB 3.23Å; L68-L72 PolarHBondContact O-N 3.37Å; L69-L72 WeakPolarHBondContact O-CB 3.18Å; L69-L72 PolarHBondContact O-N 3.49Å; L72-M75 PolarHBondContact O-N 3.26Å; L72-R76 VanDerWaalsContact O-CG 3.31Å; L72-R76 WeakPolarHBondContact O-CG 3.47Å; L72-R76 PolarHBondContact O-N 2.89Å |
| 73 | D | 96.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 103 Ų | 103 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 177.7 | -69.2 | -25.5 | 0 | 0 | 0 | 111.4 | L69 K70 E71 M75 R76 E77 | L69-D73 WeakPolarHBondContact O-CB 3.44Å; L69-D73 VanDerWaalsContact O-CG 3.27Å; L69-D73 PolarHBondContact O-N 3.01Å; K70-D73 PolarHBondContact O-N 3.47Å; E71-D73 PolarHBondContact O-N 3.45Å; D73-M75 VanDerWaalsContact C-N 3.3Å; D73-M75 PolarHBondContact O-N 3.12Å; D73-R76 WeakPolarHBondContact O-CB 3.24Å; D73-R76 PolarHBondContact O-N 3.28Å; D73-R76 VanDerWaalsContact O-N 3.15Å; D73-R76 IonicContact OD1-NH1 3.06Å; D73-R76 PolarHBondContact OD1-NH1 2.87Å; D73-E77 WeakPolarHBondContact O-CG 3.38Å; D73-E77 PolarHBondContact O-N 3.14Å |
| 74 | A | 96.2 | Very high | 95 | Very high | 54 Ų | 54 | 101.6 Ų | 101.6 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K70 E71 E77 L78 | K70-A74 WeakPolarHBondContact O-CB 3.28Å; K70-A74 PolarHBondContact O-N 3.13Å; E71-A74 PolarHBondContact O-N 3.35Å; A74-E77 PolarHBondContact O-N 2.88Å; A74-L78 WeakPolarHBondContact O-CB 3.41Å; A74-L78 PolarHBondContact O-N 2.92Å |
| 75 | M | 96.8 | Very high | 95.7 | Very high | 116 Ų | 116 | 102.5 Ų | 102.5 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -37.1 | 175.2 | -73 | -62.3 | -68.1 | 0 | 0 | 112.3 | E71 L72 D73 N79 | E71-M75 WeakPolarHBondContact O-CB 3.36Å; E71-M75 VanDerWaalsContact O-CG 3.25Å; E71-M75 WeakPolarHBondContact O-CG 3.43Å; E71-M75 PolarHBondContact O-N 2.77Å; L72-M75 PolarHBondContact O-N 3.26Å; D73-M75 VanDerWaalsContact C-N 3.3Å; D73-M75 PolarHBondContact O-N 3.12Å; M75-N79 VanDerWaalsContact O-CB 3.3Å; M75-N79 WeakPolarHBondContact O-CB 3.45Å; M75-N79 PolarHBondContact O-N 2.86Å |
| 76 | R | 97.3 | Very high | 96.1 | Very high | 148 Ų | 148 | 103.5 Ų | 103.5 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -44.1 | 174.7 | -74.2 | 166.9 | 174.2 | 168.3 | -5.4 | 111.9 | L72 D73 L78 N79 N80 | L72-R76 VanDerWaalsContact O-CG 3.31Å; L72-R76 WeakPolarHBondContact O-CG 3.47Å; L72-R76 PolarHBondContact O-N 2.89Å; D73-R76 WeakPolarHBondContact O-CB 3.24Å; D73-R76 PolarHBondContact O-N 3.28Å; D73-R76 VanDerWaalsContact O-N 3.15Å; D73-R76 IonicContact OD1-NH1 3.06Å; D73-R76 PolarHBondContact OD1-NH1 2.87Å; R76-L78 VanDerWaalsContact C-N 3.34Å; R76-N79 PolarHBondContact O-N 3.03Å; R76-N80 WeakPolarHBondContact O-CB 3.34Å; R76-N80 PolarHBondContact O-N 3.2Å |
| 77 | E | 97.6 | Very high | 96.6 | Very high | 142 Ų | 142 | 105.5 Ų | 105.5 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 175.6 | -73.7 | 177.1 | -174.7 | 0 | 0 | 111.3 | D73 A74 N80 K81 | D73-E77 WeakPolarHBondContact O-CG 3.38Å; D73-E77 PolarHBondContact O-N 3.14Å; A74-E77 PolarHBondContact O-N 2.88Å; E77-N80 PolarHBondContact O-N 3Å; E77-K81 WeakPolarHBondContact O-CB 3.35Å; E77-K81 PolarHBondContact O-N 2.93Å |
| 78 | L | 97.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 104.8 Ų | 104.8 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.2 | -177.3 | 62.7 | 0 | 0 | 0 | 111.7 | A74 R76 K81 L82 | A74-L78 WeakPolarHBondContact O-CB 3.41Å; A74-L78 PolarHBondContact O-N 2.92Å; R76-L78 VanDerWaalsContact C-N 3.34Å; L78-K81 PolarHBondContact O-N 3.43Å; L78-L82 HydrophobicContact CG-CD1 4.26Å; L78-L82 WeakPolarHBondContact O-CG 3.47Å; L78-L82 PolarHBondContact O-N 3.08Å |
| 79 | N | 97.5 | Very high | 97.1 | Very high | 102 Ų | 102 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 178 | -172.1 | -76.3 | 0 | 0 | 0 | 111.6 | M75 R76 K81 L82 Q83 | M75-N79 VanDerWaalsContact O-CB 3.3Å; M75-N79 WeakPolarHBondContact O-CB 3.45Å; M75-N79 PolarHBondContact O-N 2.86Å; R76-N79 PolarHBondContact O-N 3.03Å; N79-K81 PolarHBondContact O-N 3.04Å; N79-L82 PolarHBondContact O-N 3.08Å; N79-Q83 WeakPolarHBondContact O-CB 3.4Å; N79-Q83 PolarHBondContact O-N 3.47Å |
| 80 | N | 97.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 105.4 Ų | 105.4 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.2 | -173.1 | 3.9 | 0 | 0 | 0 | 111.2 | R76 E77 L82 Q83 V84 | R76-N80 WeakPolarHBondContact O-CB 3.34Å; R76-N80 PolarHBondContact O-N 3.2Å; E77-N80 PolarHBondContact O-N 3Å; N80-L82 VanDerWaalsContact C-N 3.32Å; N80-L82 PolarHBondContact O-N 3.02Å; N80-Q83 PolarHBondContact O-N 3.03Å; N80-Q83 VanDerWaalsContact O-N 3.17Å; N80-V84 WeakPolarHBondContact O-CG2 3.11Å; N80-V84 PolarHBondContact O-N 3.26Å |
| 81 | K | 98 | Very high | 97.4 | Very high | 131 Ų | 131 | 105 Ų | 105 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.1 | -42.8 | 175.4 | -173.8 | 178.1 | -178.8 | -179.9 | 0 | 112.1 | E77 L78 N79 Q85 | E77-K81 WeakPolarHBondContact O-CB 3.35Å; E77-K81 PolarHBondContact O-N 2.93Å; L78-K81 PolarHBondContact O-N 3.43Å; N79-K81 PolarHBondContact O-N 3.04Å; K81-Q85 WeakPolarHBondContact O-CB 3.33Å; K81-Q85 VanDerWaalsContact O-CG 3.31Å; K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 3.05Å |
| 82 | L | 98.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 101.4 Ų | 101.4 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.1 | -71.6 | 173.2 | 0 | 0 | 0 | 111.7 | L78 N79 N80 Q85 M86 | L78-L82 HydrophobicContact CG-CD1 4.26Å; L78-L82 WeakPolarHBondContact O-CG 3.47Å; L78-L82 PolarHBondContact O-N 3.08Å; N79-L82 PolarHBondContact O-N 3.08Å; N80-L82 VanDerWaalsContact C-N 3.32Å; N80-L82 PolarHBondContact O-N 3.02Å; L82-Q85 PolarHBondContact O-N 3.39Å; L82-M86 WeakPolarHBondContact O-CB 3.3Å; L82-M86 WeakPolarHBondContact O-CG 3.3Å; L82-M86 PolarHBondContact O-N 2.87Å |
| 83 | Q | 97.9 | Very high | 97.6 | Very high | 124 Ų | 124 | 102.9 Ų | 102.9 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 177.8 | -165.1 | 169.6 | 32.1 | 0 | 0 | 111.8 | N79 N80 M86 V87 | N79-Q83 WeakPolarHBondContact O-CB 3.4Å; N79-Q83 PolarHBondContact O-N 3.47Å; N80-Q83 PolarHBondContact O-N 3.03Å; N80-Q83 VanDerWaalsContact O-N 3.17Å; Q83-M86 WeakPolarHBondContact O-CB 3.35Å; Q83-M86 PolarHBondContact O-N 3.37Å; Q83-V87 WeakPolarHBondContact O-CG2 3.02Å; Q83-V87 PolarHBondContact O-N 3.23Å |
| 84 | V | 97.9 | Very high | 97.7 | Very high | 92 Ų | 92 | 104.7 Ų | 104.7 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | N80 Q88 | N80-V84 WeakPolarHBondContact O-CG2 3.11Å; N80-V84 PolarHBondContact O-N 3.26Å; V84-Q88 WeakPolarHBondContact O-CB 3.44Å; V84-Q88 PolarHBondContact O-N 3.38Å |
| 85 | Q | 97.9 | Very high | 97.8 | Very high | 100 Ų | 100 | 107.3 Ų | 107.3 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 176.7 | -75.9 | -178.6 | -8.2 | 0 | 0 | 112.6 | K81 L82 Q88 K89 | K81-Q85 WeakPolarHBondContact O-CB 3.33Å; K81-Q85 VanDerWaalsContact O-CG 3.31Å; K81-Q85 WeakPolarHBondContact O-CG 3.45Å; K81-Q85 PolarHBondContact O-N 3.05Å; L82-Q85 PolarHBondContact O-N 3.39Å; Q85-Q88 PolarHBondContact O-N 2.95Å; Q85-K89 WeakPolarHBondContact O-CB 3.42Å; Q85-K89 VanDerWaalsContact O-CG 3.27Å; Q85-K89 WeakPolarHBondContact O-CG 3.46Å; Q85-K89 PolarHBondContact O-N 2.99Å |
| 86 | M | 98.1 | Very high | 97.9 | Very high | 115 Ų | 115 | 108 Ų | 108 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -53.7 | 174.9 | -81.2 | -72.9 | -60.7 | 0 | 0 | 111.2 | L82 Q83 Q88 K89 E90 | L82-M86 WeakPolarHBondContact O-CB 3.3Å; L82-M86 WeakPolarHBondContact O-CG 3.3Å; L82-M86 PolarHBondContact O-N 2.87Å; Q83-M86 WeakPolarHBondContact O-CB 3.35Å; Q83-M86 PolarHBondContact O-N 3.37Å; M86-Q88 VanDerWaalsContact C-N 3.27Å; M86-Q88 PolarHBondContact O-N 3.28Å; M86-K89 PolarHBondContact O-N 3.44Å; M86-K89 VanDerWaalsContact O-N 3.08Å; M86-E90 WeakPolarHBondContact O-CG 3.34Å; M86-E90 PolarHBondContact O-N 3.49Å |
| 87 | V | 97.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 106.3 Ų | 106.3 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | Q83 E90 K91 | Q83-V87 WeakPolarHBondContact O-CG2 3.02Å; Q83-V87 PolarHBondContact O-N 3.23Å; V87-E90 PolarHBondContact O-N 3.29Å; V87-K91 PolarHBondContact O-N 3.03Å |
| 88 | Q | 98.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.1 | -179.9 | 58 | 31.6 | 0 | 0 | 111.8 | V84 Q85 M86 K91 E92 | V84-Q88 WeakPolarHBondContact O-CB 3.44Å; V84-Q88 PolarHBondContact O-N 3.38Å; Q85-Q88 PolarHBondContact O-N 2.95Å; M86-Q88 VanDerWaalsContact C-N 3.27Å; M86-Q88 PolarHBondContact O-N 3.28Å; Q88-K91 PolarHBondContact O-N 2.98Å; Q88-E92 PolarHBondContact NE2-OE1 2.84Å; Q88-E92 VanDerWaalsContact O-CG 3.31Å; Q88-E92 WeakPolarHBondContact O-CG 3.49Å; Q88-E92 PolarHBondContact O-N 3.42Å |
| 89 | K | 98 | Very high | 98 | Very high | 117 Ų | 117 | 102.5 Ų | 102.5 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 177.5 | -73 | -71.8 | 164 | -155.5 | 0 | 112.6 | Q85 M86 E92 L93 | Q85-K89 WeakPolarHBondContact O-CB 3.42Å; Q85-K89 VanDerWaalsContact O-CG 3.27Å; Q85-K89 WeakPolarHBondContact O-CG 3.46Å; Q85-K89 PolarHBondContact O-N 2.99Å; M86-K89 PolarHBondContact O-N 3.44Å; M86-K89 VanDerWaalsContact O-N 3.08Å; K89-E92 IonicContact NZ-OE1 2.72Å; K89-E92 IonicContact NZ-OE2 3.93Å; K89-E92 PolarHBondContact NZ-OE2 3.29Å; K89-E92 PolarHBondContact O-N 2.92Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.3Å |
| 90 | E | 97.8 | Very high | 98 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 172.9 | -74.5 | 171.3 | -179 | 0 | 0 | 111.2 | M86 V87 E92 L93 L94 | M86-E90 WeakPolarHBondContact O-CG 3.34Å; M86-E90 PolarHBondContact O-N 3.49Å; V87-E90 PolarHBondContact O-N 3.29Å; E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 2.85Å; E90-L93 PolarHBondContact O-N 2.95Å; E90-L94 WeakPolarHBondContact O-CG 3.25Å; E90-L94 PolarHBondContact O-N 2.94Å |
| 91 | K | 98 | Very high | 98 | Very high | 133 Ų | 133 | 102.8 Ų | 102.8 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -44.7 | 174.9 | -176.6 | -179.3 | 176.9 | -178 | 0 | 112 | V87 Q88 L93 Q95 | V87-K91 PolarHBondContact O-N 3.03Å; Q88-K91 PolarHBondContact O-N 2.98Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.09Å; K91-Q95 WeakPolarHBondContact O-CB 3.39Å; K91-Q95 PolarHBondContact O-N 2.9Å |
| 92 | E | 98 | Very high | 98 | Very high | 49 Ų | 49 | 101.5 Ų | 101.5 | 23% | 0.229 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.5 | -30.6 | 177.4 | -74.5 | 174.5 | -160.2 | 0 | 0 | 113 | Q88 K89 E90 R96 | Q88-E92 PolarHBondContact NE2-OE1 2.84Å; Q88-E92 VanDerWaalsContact O-CG 3.31Å; Q88-E92 WeakPolarHBondContact O-CG 3.49Å; Q88-E92 PolarHBondContact O-N 3.42Å; K89-E92 IonicContact NZ-OE1 2.72Å; K89-E92 IonicContact NZ-OE2 3.93Å; K89-E92 PolarHBondContact NZ-OE2 3.29Å; K89-E92 PolarHBondContact O-N 2.92Å; E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 2.85Å; E92-R96 WeakPolarHBondContact O-CG 3.43Å; E92-R96 PolarHBondContact O-N 3.37Å; E92-R96 PolarHBondContact O-NH1 3.43Å; E92-R96 IonicContact OE2-NH2 2.93Å |
| 93 | L | 97.8 | Very high | 98 | Very high | 111 Ų | 111 | 101.8 Ų | 101.8 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.8 | -49.5 | 175.5 | -76.4 | 172.4 | 0 | 0 | 0 | 111 | K89 E90 K91 Q95 R96 E97 | K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.3Å; E90-L93 PolarHBondContact O-N 2.95Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.09Å; L93-Q95 VanDerWaalsContact C-N 3.27Å; L93-Q95 PolarHBondContact O-N 3.19Å; L93-R96 PolarHBondContact O-N 2.94Å; L93-E97 PolarHBondContact O-N 2.99Å |
| 94 | L | 98.1 | Very high | 98 | Very high | 107 Ų | 107 | 101.2 Ų | 101.2 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.8 | -40.3 | 176.9 | -69.6 | 171.8 | 0 | 0 | 0 | 111.8 | E90 R96 E97 V98 | E90-L94 WeakPolarHBondContact O-CG 3.25Å; E90-L94 PolarHBondContact O-N 2.94Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 3.45Å; L94-E97 PolarHBondContact O-N 3.46Å; L94-V98 WeakPolarHBondContact O-CG2 3.21Å; L94-V98 PolarHBondContact O-N 3.33Å; L94-V98 VanDerWaalsContact O-N 3.11Å |
| 95 | Q | 98.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 174.6 | -172.7 | 81.6 | 45.7 | 0 | 0 | 111.3 | K91 L93 D99 | K91-Q95 WeakPolarHBondContact O-CB 3.39Å; K91-Q95 PolarHBondContact O-N 2.9Å; L93-Q95 VanDerWaalsContact C-N 3.27Å; L93-Q95 PolarHBondContact O-N 3.19Å; Q95-D99 WeakPolarHBondContact O-CB 3.44Å; Q95-D99 PolarHBondContact O-N 3.5Å |
| 96 | R | 98 | Very high | 97.9 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 49% | 0.494 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 179.7 | -74 | -176.5 | -167.6 | 91.3 | 1.3 | 112.5 | E92 L93 L94 D99 E100 | E92-R96 WeakPolarHBondContact O-CG 3.43Å; E92-R96 PolarHBondContact O-N 3.37Å; E92-R96 PolarHBondContact O-NH1 3.43Å; E92-R96 IonicContact OE2-NH2 2.93Å; L93-R96 PolarHBondContact O-N 2.94Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 3.45Å; R96-D99 PolarHBondContact O-N 2.93Å; R96-E100 WeakPolarHBondContact O-CG 3.28Å; R96-E100 PolarHBondContact O-N 2.95Å |
| 97 | E | 98.1 | Very high | 97.9 | Very high | 113 Ų | 113 | 104.2 Ų | 104.2 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 177.1 | -173.8 | 169.1 | -152.1 | 0 | 0 | 110.9 | L93 L94 D99 E100 E101 | L93-E97 PolarHBondContact O-N 2.99Å; L94-E97 PolarHBondContact O-N 3.46Å; E97-D99 VanDerWaalsContact C-N 3.33Å; E97-D99 PolarHBondContact O-N 3.43Å; E97-E100 PolarHBondContact O-N 3.29Å; E97-E101 WeakPolarHBondContact O-CG 3.41Å; E97-E101 PolarHBondContact O-N 3.03Å |
| 98 | V | 98.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 105.3 Ų | 105.3 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | L94 E100 E101 L102 | L94-V98 WeakPolarHBondContact O-CG2 3.21Å; L94-V98 PolarHBondContact O-N 3.33Å; L94-V98 VanDerWaalsContact O-N 3.11Å; V98-E100 VanDerWaalsContact C-N 3.32Å; V98-E100 PolarHBondContact O-N 3.29Å; V98-E101 PolarHBondContact O-N 3.44Å; V98-L102 WeakPolarHBondContact O-CB 3.34Å; V98-L102 PolarHBondContact O-N 2.94Å |
| 99 | D | 98 | Very high | 97.7 | Very high | 71 Ų | 71 | 103.9 Ų | 103.9 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 178.8 | -70.8 | -20.5 | 0 | 0 | 0 | 112 | Q95 R96 E97 K103 | Q95-D99 WeakPolarHBondContact O-CB 3.44Å; Q95-D99 PolarHBondContact O-N 3.5Å; R96-D99 PolarHBondContact O-N 2.93Å; E97-D99 VanDerWaalsContact C-N 3.33Å; E97-D99 PolarHBondContact O-N 3.43Å; D99-K103 VanDerWaalsContact O-CG 3.25Å; D99-K103 WeakPolarHBondContact O-CG 3.49Å; D99-K103 PolarHBondContact O-N 3.28Å |
| 100 | E | 97.6 | Very high | 97.7 | Very high | 101 Ų | 101 | 105.4 Ų | 105.4 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.4 | -41.4 | 176.3 | -72.1 | -53.5 | 139.9 | 0 | 0 | 112.3 | R96 E97 V98 L102 K103 E104 | R96-E100 WeakPolarHBondContact O-CG 3.28Å; R96-E100 PolarHBondContact O-N 2.95Å; E97-E100 PolarHBondContact O-N 3.29Å; V98-E100 VanDerWaalsContact C-N 3.32Å; V98-E100 PolarHBondContact O-N 3.29Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.5Å; E100-K103 PolarHBondContact O-N 3.09Å; E100-K103 IonicContact OE1-NZ 2.78Å; E100-K103 PolarHBondContact OE1-NZ 2.99Å; E100-E104 PolarHBondContact O-N 2.84Å |
| 101 | E | 97.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 106.8 Ų | 106.8 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -43.7 | 173.4 | -73.3 | -179.9 | 174.6 | 0 | 0 | 111.4 | E97 V98 K103 E104 Q105 | E97-E101 WeakPolarHBondContact O-CG 3.41Å; E97-E101 PolarHBondContact O-N 3.03Å; V98-E101 PolarHBondContact O-N 3.44Å; E101-K103 PolarHBondContact O-N 3.13Å; E101-E104 PolarHBondContact O-N 3.18Å; E101-Q105 WeakPolarHBondContact O-CG 3.44Å; E101-Q105 PolarHBondContact O-N 3.45Å |
| 102 | L | 98 | Very high | 97.7 | Very high | 104 Ų | 104 | 107.2 Ų | 107.2 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 178.5 | -169.4 | 150 | 0 | 0 | 0 | 111.7 | V98 E100 E104 Q106 | V98-L102 WeakPolarHBondContact O-CB 3.34Å; V98-L102 PolarHBondContact O-N 2.94Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.5Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-Q106 WeakPolarHBondContact O-CB 3.46Å; L102-Q106 PolarHBondContact O-N 2.88Å |
| 103 | K | 98 | Very high | 97.6 | Very high | 95 Ų | 95 | 110.2 Ų | 110.2 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 174.3 | -72.5 | 171.1 | -159.7 | 166.5 | 0 | 112.1 | D99 E100 E101 R107 | D99-K103 VanDerWaalsContact O-CG 3.25Å; D99-K103 WeakPolarHBondContact O-CG 3.49Å; D99-K103 PolarHBondContact O-N 3.28Å; E100-K103 PolarHBondContact O-N 3.09Å; E100-K103 IonicContact OE1-NZ 2.78Å; E100-K103 PolarHBondContact OE1-NZ 2.99Å; E101-K103 PolarHBondContact O-N 3.13Å; K103-R107 WeakPolarHBondContact O-CG 3.05Å; K103-R107 PolarHBondContact O-N 2.85Å; K103-R107 PolarHBondContact O-NE 2.89Å |
| 104 | E | 97.6 | Very high | 97.6 | Very high | 112 Ų | 112 | 114.4 Ų | 114.4 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -49.5 | 175.8 | -176.7 | 157.9 | -135.4 | 0 | 0 | 111.4 | E100 E101 L102 Q106 R107 E108 | E100-E104 PolarHBondContact O-N 2.84Å; E101-E104 PolarHBondContact O-N 3.18Å; L102-E104 VanDerWaalsContact C-N 3.33Å; E104-Q106 VanDerWaalsContact C-N 3.27Å; E104-Q106 PolarHBondContact O-N 3.23Å; E104-R107 WeakPolarHBondContact O-CB 3.34Å; E104-R107 PolarHBondContact O-N 3.01Å; E104-E108 PolarHBondContact O-N 2.94Å |
| 105 | Q | 97.6 | Very high | 97.6 | Very high | 128 Ų | 128 | 112.4 Ų | 112.4 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.3 | -41 | 174.7 | -70.5 | 176 | 6.1 | 0 | 0 | 112 | E101 E108 A109 | E101-Q105 WeakPolarHBondContact O-CG 3.44Å; E101-Q105 PolarHBondContact O-N 3.45Å; Q105-E108 PolarHBondContact O-N 3.09Å; Q105-A109 WeakPolarHBondContact O-CB 3.17Å; Q105-A109 PolarHBondContact O-N 2.98Å |
| 106 | Q | 97.6 | Very high | 97.6 | Very high | 94 Ų | 94 | 112.7 Ų | 112.7 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 176.6 | -172.5 | 176.4 | 43.4 | 0 | 0 | 112.3 | L102 E104 R110 | L102-Q106 WeakPolarHBondContact O-CB 3.46Å; L102-Q106 PolarHBondContact O-N 2.88Å; E104-Q106 VanDerWaalsContact C-N 3.27Å; E104-Q106 PolarHBondContact O-N 3.23Å; Q106-R110 VanDerWaalsContact CD-NH2 3.34Å; Q106-R110 VanDerWaalsContact O-CG 3.28Å; Q106-R110 WeakPolarHBondContact O-CG 3.37Å; Q106-R110 PolarHBondContact O-N 3.24Å; Q106-R110 VanDerWaalsContact O-N 3.11Å |
| 107 | R | 97.1 | Very high | 97.6 | Very high | 147 Ų | 147 | 110.8 Ų | 110.8 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -42 | 175.4 | -77.7 | -177.4 | -68.3 | 130.8 | -2.5 | 111.1 | K103 E104 R110 H111 | K103-R107 WeakPolarHBondContact O-CG 3.05Å; K103-R107 PolarHBondContact O-N 2.85Å; K103-R107 PolarHBondContact O-NE 2.89Å; E104-R107 WeakPolarHBondContact O-CB 3.34Å; E104-R107 PolarHBondContact O-N 3.01Å; R107-R110 PolarHBondContact O-N 2.93Å; R107-H111 WeakPolarHBondContact O-CB 3.43Å; R107-H111 PolarHBondContact O-N 3.09Å |
| 108 | E | 96.8 | Very high | 97.6 | Very high | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 177.4 | -173 | 173.1 | -163.8 | 0 | 0 | 111.8 | E104 Q105 R110 H111 W112 | E104-E108 PolarHBondContact O-N 2.94Å; Q105-E108 PolarHBondContact O-N 3.09Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.44Å; E108-H111 VanDerWaalsContact O-CB 3.3Å; E108-H111 WeakPolarHBondContact O-CB 3.48Å; E108-H111 PolarHBondContact O-N 3.44Å; E108-W112 PolarHBondContact O-N 2.93Å; E108-W112 VanDerWaalsContact O-N 3.15Å |
| 109 | A | 96.7 | Very high | 97.6 | Very high | 64 Ų | 64 | 110.2 Ų | 110.2 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q105 H111 W112 E113 | Q105-A109 WeakPolarHBondContact O-CB 3.17Å; Q105-A109 PolarHBondContact O-N 2.98Å; A109-H111 VanDerWaalsContact C-N 3.29Å; A109-H111 PolarHBondContact O-N 3.36Å; A109-W112 PolarHBondContact O-N 3.43Å; A109-E113 PolarHBondContact O-N 3.26Å; A109-E113 VanDerWaalsContact O-N 3.13Å |
| 110 | R | 97.1 | Very high | 97.6 | Very high | 149 Ų | 149 | 112.8 Ų | 112.8 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -31.1 | 175.4 | -71.3 | 175.8 | -174.7 | -176.7 | 6.1 | 113 | Q106 R107 E108 W112 | Q106-R110 VanDerWaalsContact CD-NH2 3.34Å; Q106-R110 VanDerWaalsContact O-CG 3.28Å; Q106-R110 WeakPolarHBondContact O-CG 3.37Å; Q106-R110 PolarHBondContact O-N 3.24Å; Q106-R110 VanDerWaalsContact O-N 3.11Å; R107-R110 PolarHBondContact O-N 2.93Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.44Å; R110-W112 VanDerWaalsContact C-N 3.26Å; R110-W112 PolarHBondContact O-N 2.97Å |
| 111 | H | 97 | Very high | 97.7 | Very high | 130 Ų | 130 | 114.4 Ų | 114.4 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65 | -34.9 | 175.9 | -174.5 | 67.1 | 0 | 0 | 0 | 111.3 | R107 E108 A109 P115 | R107-H111 WeakPolarHBondContact O-CB 3.43Å; R107-H111 PolarHBondContact O-N 3.09Å; E108-H111 VanDerWaalsContact O-CB 3.3Å; E108-H111 WeakPolarHBondContact O-CB 3.48Å; E108-H111 PolarHBondContact O-N 3.44Å; A109-H111 VanDerWaalsContact C-N 3.29Å; A109-H111 PolarHBondContact O-N 3.36Å; H111-P115 VanDerWaalsContact O-CD 3.24Å; H111-P115 WeakPolarHBondContact O-CD 3.2Å |
| 112 | W | 97.9 | Very high | 97.7 | Very high | 142 Ų | 142 | 115.6 Ų | 115.6 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -88.6 | -12.2 | -180 | -68.4 | 115.9 | 0 | 0 | 0 | 115.2 | E108 A109 R110 P115 M116 | E108-W112 PolarHBondContact O-N 2.93Å; E108-W112 VanDerWaalsContact O-N 3.15Å; A109-W112 PolarHBondContact O-N 3.43Å; R110-W112 VanDerWaalsContact C-N 3.26Å; R110-W112 PolarHBondContact O-N 2.97Å; W112-P115 HydrophobicContact CE3-CB 4.3Å; W112-P115 HydrophobicContact CE3-CG 4.38Å; W112-P115 WeakPolarHBondContact O-CD 3.5Å; W112-M116 WeakPolarHBondContact O-CB 3.39Å; W112-M116 PolarHBondContact O-N 3.4Å |
| 113 | E | 96.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 115.2 Ų | 115.2 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.1 | -58.2 | -179.9 | -171.3 | 173.2 | -162.1 | 0 | 0 | 112.1 | A109 M116 E117 | A109-E113 PolarHBondContact O-N 3.26Å; A109-E113 VanDerWaalsContact O-N 3.13Å; E113-M116 PolarHBondContact O-N 2.88Å; E113-E117 WeakPolarHBondContact O-CG 3.31Å; E113-E117 PolarHBondContact O-N 2.95Å |
| 114 | R | 97.4 | Very high | 97.7 | Very high | 200 Ų | 200 | 112.9 Ų | 112.9 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.9 | -46.1 | -179.5 | -67.7 | -172.3 | -175.8 | -175.2 | 0.9 | 113.9 | M116 E117 V118 | R114-M116 VanDerWaalsContact C-N 3.26Å; R114-M116 PolarHBondContact O-N 3.28Å; R114-E117 PolarHBondContact O-N 3.4Å; R114-V118 WeakPolarHBondContact O-CG2 3.32Å; R114-V118 PolarHBondContact O-N 3.43Å |
| 115 | P | 97.9 | Very high | 97.8 | Very high | 64 Ų | 64 | 110.3 Ų | 110.3 | 42% | 0.416 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.6 | -37 | 175.3 | -26.4 | 35 | 0 | 0 | 0 | 113.4 | H111 W112 L119 | H111-P115 VanDerWaalsContact O-CD 3.24Å; H111-P115 WeakPolarHBondContact O-CD 3.2Å; W112-P115 HydrophobicContact CE3-CB 4.3Å; W112-P115 HydrophobicContact CE3-CG 4.38Å; W112-P115 WeakPolarHBondContact O-CD 3.5Å; P115-L119 WeakPolarHBondContact O-CB 3.36Å; P115-L119 PolarHBondContact O-N 3.41Å; P115-L119 VanDerWaalsContact O-N 3.07Å |
| 116 | M | 98.1 | Very high | 97.8 | Very high | 115 Ų | 115 | 108.2 Ų | 108.2 | 57% | 0.567 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -46.2 | 177.7 | -174.3 | 157.7 | -73.5 | 0 | 0 | 111.6 | W112 E113 R114 V118 L119 E120 | W112-M116 WeakPolarHBondContact O-CB 3.39Å; W112-M116 PolarHBondContact O-N 3.4Å; E113-M116 PolarHBondContact O-N 2.88Å; R114-M116 VanDerWaalsContact C-N 3.26Å; R114-M116 PolarHBondContact O-N 3.28Å; M116-V118 PolarHBondContact O-N 3.45Å; M116-L119 PolarHBondContact O-N 2.91Å; M116-E120 WeakPolarHBondContact O-CG 3.45Å; M116-E120 PolarHBondContact O-N 3.32Å |
| 117 | E | 98.2 | Very high | 97.9 | Very high | 92 Ų | 92 | 110.8 Ų | 110.8 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -55.7 | -48.3 | 174.2 | -71.9 | 171.8 | 167.6 | 0 | 0 | 111.8 | E113 R114 L119 E120 E121 | E113-E117 WeakPolarHBondContact O-CG 3.31Å; E113-E117 PolarHBondContact O-N 2.95Å; R114-E117 PolarHBondContact O-N 3.4Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 3.45Å; E117-E120 PolarHBondContact O-N 2.97Å; E117-E121 WeakPolarHBondContact O-CG 3.27Å; E117-E121 PolarHBondContact O-N 2.88Å |
| 118 | V | 98.3 | Very high | 98 | Very high | 82 Ų | 82 | 108.8 Ų | 108.8 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 178.8 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | R114 M116 M122 | R114-V118 WeakPolarHBondContact O-CG2 3.32Å; R114-V118 PolarHBondContact O-N 3.43Å; M116-V118 PolarHBondContact O-N 3.45Å; V118-M122 VanDerWaalsContact O-CB 3.29Å; V118-M122 WeakPolarHBondContact O-CB 3.37Å; V118-M122 PolarHBondContact O-N 2.96Å |
| 119 | L | 98.3 | Very high | 98 | Very high | 100 Ų | 100 | 109 Ų | 109 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.8 | -177.2 | 123.7 | 0 | 0 | 0 | 111.5 | P115 M116 E117 M122 L123 | P115-L119 WeakPolarHBondContact O-CB 3.36Å; P115-L119 PolarHBondContact O-N 3.41Å; P115-L119 VanDerWaalsContact O-N 3.07Å; M116-L119 PolarHBondContact O-N 2.91Å; E117-L119 VanDerWaalsContact C-N 3.3Å; E117-L119 PolarHBondContact O-N 3.45Å; L119-M122 PolarHBondContact O-N 3.23Å; L119-L123 HydrophobicContact CD2-CD1 3.74Å; L119-L123 HydrophobicContact CG-CD1 4.21Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.24Å; L119-L123 WeakPolarHBondContact O-CG 3.39Å; L119-L123 PolarHBondContact O-N 2.81Å |
| 120 | E | 98.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 175.2 | -71.8 | -177.2 | 177.2 | 0 | 0 | 111.8 | M116 E117 L123 A124 | M116-E120 WeakPolarHBondContact O-CG 3.45Å; M116-E120 PolarHBondContact O-N 3.32Å; E117-E120 PolarHBondContact O-N 2.97Å; E120-L123 PolarHBondContact O-N 3.42Å; E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.21Å |
| 121 | E | 98.3 | Very high | 98.2 | Very high | 135 Ų | 135 | 107.6 Ų | 107.6 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 175.2 | -73.3 | -178 | 178.7 | 0 | 0 | 111.9 | E117 L123 A124 A125 | E117-E121 WeakPolarHBondContact O-CG 3.27Å; E117-E121 PolarHBondContact O-N 2.88Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.26Å; E121-A124 PolarHBondContact O-N 3.43Å; E121-A125 WeakPolarHBondContact O-CB 3.41Å; E121-A125 PolarHBondContact O-N 3.19Å |
| 122 | M | 98.5 | Very high | 98.3 | Very high | 128 Ų | 128 | 104.3 Ų | 104.3 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 177.5 | -174.3 | -174.7 | -58.7 | 0 | 0 | 111.5 | V118 L119 A125 Q126 | V118-M122 VanDerWaalsContact O-CB 3.29Å; V118-M122 WeakPolarHBondContact O-CB 3.37Å; V118-M122 PolarHBondContact O-N 2.96Å; L119-M122 PolarHBondContact O-N 3.23Å; M122-A125 PolarHBondContact O-N 2.99Å; M122-Q126 VanDerWaalsContact O-CB 3.25Å; M122-Q126 WeakPolarHBondContact O-CB 3.48Å; M122-Q126 PolarHBondContact O-N 3.16Å |
| 123 | L | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 176.8 | -73.3 | 172.1 | 0 | 0 | 0 | 111.9 | L119 E120 E121 K127 | L119-L123 HydrophobicContact CD2-CD1 3.74Å; L119-L123 HydrophobicContact CG-CD1 4.21Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.24Å; L119-L123 WeakPolarHBondContact O-CG 3.39Å; L119-L123 PolarHBondContact O-N 2.81Å; E120-L123 PolarHBondContact O-N 3.42Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.26Å; L123-K127 WeakPolarHBondContact O-CG 3.28Å; L123-K127 PolarHBondContact O-N 2.87Å; L123-K127 VanDerWaalsContact O-N 3.11Å |
| 124 | A | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 101.5 Ų | 101.5 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -51 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E120 E121 Q126 K127 D128 | E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.21Å; E121-A124 PolarHBondContact O-N 3.43Å; A124-Q126 PolarHBondContact O-N 3.02Å; A124-K127 WeakPolarHBondContact O-CB 3.44Å; A124-K127 PolarHBondContact O-N 2.88Å; A124-K127 VanDerWaalsContact O-N 3.09Å; A124-D128 PolarHBondContact O-N 3.44Å |
| 125 | A | 98.5 | Very high | 98.4 | Very high | 58 Ų | 58 | 95.1 Ų | 95.1 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E121 M122 D128 R129 | E121-A125 WeakPolarHBondContact O-CB 3.41Å; E121-A125 PolarHBondContact O-N 3.19Å; M122-A125 PolarHBondContact O-N 2.99Å; A125-D128 PolarHBondContact O-N 3.3Å; A125-R129 WeakPolarHBondContact O-CB 3.46Å; A125-R129 PolarHBondContact O-N 2.89Å |
| 126 | Q | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 101.5 Ų | 101.5 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 175.4 | 179.5 | 67.6 | 6.2 | 0 | 0 | 112 | M122 A124 D128 R129 D130 | M122-Q126 VanDerWaalsContact O-CB 3.25Å; M122-Q126 WeakPolarHBondContact O-CB 3.48Å; M122-Q126 PolarHBondContact O-N 3.16Å; A124-Q126 PolarHBondContact O-N 3.02Å; Q126-D128 VanDerWaalsContact C-N 3.32Å; Q126-D128 PolarHBondContact O-N 2.91Å; Q126-R129 WeakPolarHBondContact O-CB 3.34Å; Q126-R129 PolarHBondContact O-N 3.34Å; Q126-D130 PolarHBondContact NE2-OD2 3.39Å; Q126-D130 PolarHBondContact O-N 3.48Å |
| 127 | K | 98.7 | Very high | 98.5 | Very high | 148 Ų | 148 | 101.4 Ų | 101.4 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -44 | 175.3 | -73.2 | 171.5 | -178.1 | 174.8 | 0 | 111.2 | L123 A124 R129 D130 Q131 | L123-K127 WeakPolarHBondContact O-CG 3.28Å; L123-K127 PolarHBondContact O-N 2.87Å; L123-K127 VanDerWaalsContact O-N 3.11Å; A124-K127 WeakPolarHBondContact O-CB 3.44Å; A124-K127 PolarHBondContact O-N 2.88Å; A124-K127 VanDerWaalsContact O-N 3.09Å; K127-R129 VanDerWaalsContact C-N 3.34Å; K127-R129 PolarHBondContact O-N 3.18Å; K127-D130 PolarHBondContact O-N 3.37Å; K127-Q131 WeakPolarHBondContact O-CB 3.4Å; K127-Q131 PolarHBondContact O-N 2.83Å |
| 128 | D | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 102.1 Ų | 102.1 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 177.4 | -69.4 | -13.5 | 0 | 0 | 0 | 111.4 | A124 A125 Q126 Q131 A132 | A124-D128 PolarHBondContact O-N 3.44Å; A125-D128 PolarHBondContact O-N 3.3Å; Q126-D128 VanDerWaalsContact C-N 3.32Å; Q126-D128 PolarHBondContact O-N 2.91Å; D128-Q131 PolarHBondContact O-N 3.19Å; D128-A132 WeakPolarHBondContact O-CB 3.26Å; D128-A132 PolarHBondContact O-N 2.94Å |
| 129 | R | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 102.6 Ų | 102.6 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 174.8 | -172.8 | -172.4 | 72.5 | 72.2 | 16 | 111.5 | A125 Q126 K127 A132 L133 | A125-R129 WeakPolarHBondContact O-CB 3.46Å; A125-R129 PolarHBondContact O-N 2.89Å; Q126-R129 WeakPolarHBondContact O-CB 3.34Å; Q126-R129 PolarHBondContact O-N 3.34Å; K127-R129 VanDerWaalsContact C-N 3.34Å; K127-R129 PolarHBondContact O-N 3.18Å; R129-A132 PolarHBondContact O-N 2.94Å; R129-L133 HydrophobicContact CG-CD1 4.33Å; R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 WeakPolarHBondContact O-CG 3.37Å; R129-L133 PolarHBondContact O-N 2.88Å |
| 130 | D | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 100.1 Ų | 100.1 | 34% | 0.337 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | -179 | -72 | -28.4 | 0 | 0 | 0 | 111.4 | Q126 K127 L133 M134 | Q126-D130 PolarHBondContact NE2-OD2 3.39Å; Q126-D130 PolarHBondContact O-N 3.48Å; K127-D130 PolarHBondContact O-N 3.37Å; D130-L133 PolarHBondContact O-N 3.34Å; D130-M134 WeakPolarHBondContact O-CG 3.39Å; D130-M134 PolarHBondContact O-N 3.19Å |
| 131 | Q | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 97.8 Ų | 97.8 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -47.8 | 173.6 | -177 | 172.4 | -9.2 | 0 | 0 | 111.8 | K127 D128 L133 M134 S135 | K127-Q131 WeakPolarHBondContact O-CB 3.4Å; K127-Q131 PolarHBondContact O-N 2.83Å; D128-Q131 PolarHBondContact O-N 3.19Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.9Å; Q131-M134 PolarHBondContact O-N 2.99Å; Q131-S135 PolarHBondContact O-N 2.95Å; Q131-S135 PolarHBondContact O-OG 3.24Å |
| 132 | A | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 96.6 Ų | 96.6 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D128 R129 R136 | D128-A132 WeakPolarHBondContact O-CB 3.26Å; D128-A132 PolarHBondContact O-N 2.94Å; R129-A132 PolarHBondContact O-N 2.94Å; A132-R136 WeakPolarHBondContact O-CB 3.39Å; A132-R136 PolarHBondContact O-N 2.87Å |
| 133 | L | 98.6 | Very high | 98.5 | Very high | 78 Ų | 78 | 96 Ų | 96 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 175 | -76.2 | 174.7 | 0 | 0 | 0 | 112.1 | R129 D130 Q131 S135 R136 L137 | R129-L133 HydrophobicContact CG-CD1 4.33Å; R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 WeakPolarHBondContact O-CG 3.37Å; R129-L133 PolarHBondContact O-N 2.88Å; D130-L133 PolarHBondContact O-N 3.34Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.9Å; L133-S135 PolarHBondContact O-N 2.91Å; L133-R136 PolarHBondContact O-N 2.68Å; L133-L137 WeakPolarHBondContact O-CB 3.45Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 2.84Å |
| 134 | M | 98.5 | Very high | 98.5 | Very high | 116 Ų | 116 | 96.8 Ų | 96.8 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -46.6 | 175.7 | -73.5 | -171.7 | -65.6 | 0 | 0 | 111.4 | D130 Q131 R136 L137 L138 | D130-M134 WeakPolarHBondContact O-CG 3.39Å; D130-M134 PolarHBondContact O-N 3.19Å; Q131-M134 PolarHBondContact O-N 2.99Å; M134-R136 VanDerWaalsContact C-N 3.34Å; M134-R136 PolarHBondContact O-N 2.92Å; M134-L137 PolarHBondContact O-N 3.12Å; M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 2.88Å |
| 135 | S | 98.5 | Very high | 98.5 | Very high | 67 Ų | 67 | 97.9 Ų | 97.9 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.9 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | Q131 L133 L138 L139 | Q131-S135 PolarHBondContact O-N 2.95Å; Q131-S135 PolarHBondContact O-OG 3.24Å; L133-S135 PolarHBondContact O-N 2.91Å; S135-L138 PolarHBondContact O-N 3.48Å; S135-L139 PolarHBondContact O-N 2.83Å |
| 136 | R | 98.4 | Very high | 98.5 | Very high | 197 Ų | 197 | 99.5 Ų | 99.5 | 74% | 0.743 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.8 | -40.2 | 177.6 | -177 | 168.7 | 179.3 | 143.4 | 0.3 | 112.5 | A132 L133 M134 A140 | A132-R136 WeakPolarHBondContact O-CB 3.39Å; A132-R136 PolarHBondContact O-N 2.87Å; L133-R136 PolarHBondContact O-N 2.68Å; M134-R136 VanDerWaalsContact C-N 3.34Å; M134-R136 PolarHBondContact O-N 2.92Å; R136-A140 WeakPolarHBondContact O-CB 3.38Å; R136-A140 PolarHBondContact O-N 3.35Å |
| 137 | L | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 176.1 | -76.2 | 171.7 | 0 | 0 | 0 | 111.8 | L133 M134 N141 | L133-L137 WeakPolarHBondContact O-CB 3.45Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 2.84Å; M134-L137 PolarHBondContact O-N 3.12Å; L137-N141 PolarHBondContact O-N 2.96Å; L137-N141 VanDerWaalsContact O-N 3.09Å; L137-N141 PolarHBondContact O-ND2 3.42Å |
| 138 | L | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 95 Ų | 95 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63 | -49.4 | 175.7 | -71.5 | 171.9 | 0 | 0 | 0 | 111.1 | M134 S135 A140 N141 E142 | M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 2.88Å; S135-L138 PolarHBondContact O-N 3.48Å; L138-A140 VanDerWaalsContact C-N 3.35Å; L138-A140 PolarHBondContact O-N 3.42Å; L138-N141 WeakPolarHBondContact O-CB 3.46Å; L138-N141 PolarHBondContact O-N 3.38Å; L138-E142 WeakPolarHBondContact O-CG 3.5Å; L138-E142 PolarHBondContact O-N 2.74Å |
| 139 | L | 98.5 | Very high | 98.4 | Very high | 91 Ų | 91 | 94.3 Ų | 94.3 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 178 | -174.6 | 69.1 | 0 | 0 | 0 | 112.1 | S135 N141 E142 E143 | S135-L139 PolarHBondContact O-N 2.83Å; L139-N141 PolarHBondContact O-N 3.37Å; L139-E142 PolarHBondContact O-N 2.98Å; L139-E143 HydrophobicContact CG-CG 4.47Å; L139-E143 WeakPolarHBondContact O-CB 3.4Å; L139-E143 WeakPolarHBondContact O-CG 3.37Å; L139-E143 PolarHBondContact O-N 2.85Å |
| 140 | A | 98.5 | Very high | 98.3 | Very high | 49 Ų | 49 | 95.3 Ų | 95.3 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -33.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R136 L138 R144 | R136-A140 WeakPolarHBondContact O-CB 3.38Å; R136-A140 PolarHBondContact O-N 3.35Å; L138-A140 VanDerWaalsContact C-N 3.35Å; L138-A140 PolarHBondContact O-N 3.42Å; A140-R144 VanDerWaalsContact O-CB 3.3Å; A140-R144 WeakPolarHBondContact O-CB 3.44Å; A140-R144 PolarHBondContact O-N 3.01Å; A140-R144 VanDerWaalsContact O-N 3.08Å |
| 141 | N | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 95 Ų | 95 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.8 | -43.8 | 174.4 | -81.4 | -57.3 | 0 | 0 | 0 | 112 | L137 L138 L139 R144 D145 | L137-N141 PolarHBondContact O-N 2.96Å; L137-N141 VanDerWaalsContact O-N 3.09Å; L137-N141 PolarHBondContact O-ND2 3.42Å; L138-N141 WeakPolarHBondContact O-CB 3.46Å; L138-N141 PolarHBondContact O-N 3.38Å; L139-N141 PolarHBondContact O-N 3.37Å; N141-R144 PolarHBondContact O-N 3.5Å; N141-R144 PolarHBondContact OD1-NH2 2.93Å; N141-D145 WeakPolarHBondContact O-CB 3.48Å; N141-D145 VanDerWaalsContact O-CG 3.31Å; N141-D145 PolarHBondContact O-N 2.91Å |
| 142 | E | 98.3 | Very high | 98 | Very high | 111 Ų | 111 | 96.7 Ų | 96.7 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 175.2 | -69.7 | 169.7 | -177.8 | 0 | 0 | 111 | L138 L139 R144 D145 E146 | L138-E142 WeakPolarHBondContact O-CG 3.5Å; L138-E142 PolarHBondContact O-N 2.74Å; L139-E142 PolarHBondContact O-N 2.98Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.37Å; E142-D145 PolarHBondContact O-N 3.15Å; E142-E146 WeakPolarHBondContact O-CG 3.36Å; E142-E146 PolarHBondContact O-N 3.42Å |
| 143 | E | 98.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 177 | -72.8 | 176.7 | 171.5 | 0 | 0 | 112.1 | L139 A147 | L139-E143 HydrophobicContact CG-CG 4.47Å; L139-E143 WeakPolarHBondContact O-CB 3.4Å; L139-E143 WeakPolarHBondContact O-CG 3.37Å; L139-E143 PolarHBondContact O-N 2.85Å; E143-A147 VanDerWaalsContact O-CB 3.32Å; E143-A147 WeakPolarHBondContact O-CB 3.04Å; E143-A147 PolarHBondContact O-N 2.79Å |
| 144 | R | 98.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 103.9 Ų | 103.9 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.3 | -179 | -171.5 | 58.9 | 61.1 | 11.6 | 111 | A140 N141 E142 A147 L148 | A140-R144 VanDerWaalsContact O-CB 3.3Å; A140-R144 WeakPolarHBondContact O-CB 3.44Å; A140-R144 PolarHBondContact O-N 3.01Å; A140-R144 VanDerWaalsContact O-N 3.08Å; N141-R144 PolarHBondContact O-N 3.5Å; N141-R144 PolarHBondContact OD1-NH2 2.93Å; E142-R144 VanDerWaalsContact C-N 3.34Å; E142-R144 PolarHBondContact O-N 3.37Å; R144-A147 PolarHBondContact O-N 3.45Å; R144-L148 HydrophobicContact CG-CD1 4.36Å; R144-L148 WeakPolarHBondContact O-CG 3.35Å; R144-L148 PolarHBondContact O-N 3.34Å |
| 145 | D | 98.3 | Very high | 96.9 | Very high | 71 Ų | 71 | 105.2 Ų | 105.2 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | -178.8 | -73 | -30.2 | 0 | 0 | 0 | 111.4 | N141 E142 L148 L149 | N141-D145 WeakPolarHBondContact O-CB 3.48Å; N141-D145 VanDerWaalsContact O-CG 3.31Å; N141-D145 PolarHBondContact O-N 2.91Å; E142-D145 PolarHBondContact O-N 3.15Å; D145-L148 PolarHBondContact O-N 3.43Å; D145-L149 WeakPolarHBondContact O-CG 3.27Å; D145-L149 PolarHBondContact O-N 3.02Å |
| 146 | E | 98.1 | Very high | 96.3 | Very high | 92 Ų | 92 | 108.1 Ų | 108.1 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 172.7 | -69.7 | -171.8 | -179.9 | 0 | 0 | 112.5 | E142 L148 L149 R150 | E142-E146 WeakPolarHBondContact O-CG 3.36Å; E142-E146 PolarHBondContact O-N 3.42Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 2.96Å; E146-L149 PolarHBondContact O-N 3.43Å; E146-R150 VanDerWaalsContact CB-NH1 3.3Å; E146-R150 WeakPolarHBondContact O-CB 3.28Å; E146-R150 WeakPolarHBondContact O-CG 3.24Å; E146-R150 PolarHBondContact O-N 2.93Å; E146-R150 IonicContact OE2-CZ 3.94Å; E146-R150 VanDerWaalsContact OE2-CZ 3.3Å; E146-R150 IonicContact OE2-NH1 2.77Å; E146-R150 PolarHBondContact OE2-NH1 3.46Å; E146-R150 IonicContact OE2-NH2 3.3Å; E146-R150 PolarHBondContact OE2-NH2 3.28Å |
| 147 | A | 98.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 101.2 Ų | 101.2 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E143 R144 R150 A151 | E143-A147 VanDerWaalsContact O-CB 3.32Å; E143-A147 WeakPolarHBondContact O-CB 3.04Å; E143-A147 PolarHBondContact O-N 2.79Å; R144-A147 PolarHBondContact O-N 3.45Å; A147-R150 PolarHBondContact O-N 3Å; A147-A151 WeakPolarHBondContact O-CB 3.3Å; A147-A151 PolarHBondContact O-N 3.16Å |
| 148 | L | 97.9 | Very high | 94.6 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 45% | 0.445 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.6 | -72.7 | 173.9 | 0 | 0 | 0 | 112 | R144 D145 E146 A151 R152 | R144-L148 HydrophobicContact CG-CD1 4.36Å; R144-L148 WeakPolarHBondContact O-CG 3.35Å; R144-L148 PolarHBondContact O-N 3.34Å; D145-L148 PolarHBondContact O-N 3.43Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 2.96Å; L148-A151 PolarHBondContact O-N 3.33Å; L148-R152 WeakPolarHBondContact O-CG 3.34Å; L148-R152 PolarHBondContact O-N 3.48Å |
| 149 | L | 97.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 96 Ų | 96 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.7 | -73.4 | 171.9 | 0 | 0 | 0 | 111.8 | D145 E146 R152 R153 | D145-L149 WeakPolarHBondContact O-CG 3.27Å; D145-L149 PolarHBondContact O-N 3.02Å; E146-L149 PolarHBondContact O-N 3.43Å; L149-R152 PolarHBondContact O-N 2.88Å; L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-N 2.9Å |
| 150 | R | 97.2 | Very high | 91.3 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.5 | -72.7 | 179.2 | -173 | 104.6 | 6.6 | 111.3 | E146 A147 R152 R153 L154 | E146-R150 VanDerWaalsContact CB-NH1 3.3Å; E146-R150 WeakPolarHBondContact O-CB 3.28Å; E146-R150 WeakPolarHBondContact O-CG 3.24Å; E146-R150 PolarHBondContact O-N 2.93Å; E146-R150 IonicContact OE2-CZ 3.94Å; E146-R150 VanDerWaalsContact OE2-CZ 3.3Å; E146-R150 IonicContact OE2-NH1 2.77Å; E146-R150 PolarHBondContact OE2-NH1 3.46Å; E146-R150 IonicContact OE2-NH2 3.3Å; E146-R150 PolarHBondContact OE2-NH2 3.28Å; A147-R150 PolarHBondContact O-N 3Å; R150-R152 PolarHBondContact O-N 3.21Å; R150-R153 PolarHBondContact O-N 2.88Å; R150-L154 WeakPolarHBondContact O-CG 3.27Å; R150-L154 PolarHBondContact O-N 3.29Å |
| 151 | A | 95.8 | Very high | 89.3 | Confident | 56 Ų | 56 | 99.4 Ų | 99.4 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A147 L148 L154 Q155 | A147-A151 WeakPolarHBondContact O-CB 3.3Å; A147-A151 PolarHBondContact O-N 3.16Å; L148-A151 PolarHBondContact O-N 3.33Å; A151-L154 PolarHBondContact O-N 2.93Å; A151-Q155 WeakPolarHBondContact O-CB 3.37Å; A151-Q155 PolarHBondContact O-N 3.05Å |
| 152 | R | 94.9 | Very high | 87.6 | Confident | 158 Ų | 158 | 99.1 Ų | 99.1 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -46.8 | 175 | -73.7 | 176.7 | -173.2 | -115 | 3.8 | 112.1 | L148 L149 R150 L154 Q155 E156 | L148-R152 WeakPolarHBondContact O-CG 3.34Å; L148-R152 PolarHBondContact O-N 3.48Å; L149-R152 PolarHBondContact O-N 2.88Å; R150-R152 PolarHBondContact O-N 3.21Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 3.02Å; R152-Q155 WeakPolarHBondContact O-CB 3.31Å; R152-Q155 PolarHBondContact O-N 3.39Å; R152-Q155 VanDerWaalsContact O-N 3.12Å; R152-E156 WeakPolarHBondContact O-CG 3.42Å; R152-E156 PolarHBondContact O-N 3.06Å |
| 153 | R | 94.6 | Very high | 85.7 | Confident | 162 Ų | 162 | 100.1 Ų | 100.1 | 61% | 0.611 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.1 | -40.7 | 177 | -71.8 | 173.3 | -172.8 | 162.6 | 3.8 | 112.3 | L149 R150 E156 A157 | L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-N 2.9Å; R150-R153 PolarHBondContact O-N 2.88Å; R153-E156 PolarHBondContact O-N 3.24Å; R153-A157 WeakPolarHBondContact O-CB 3.4Å; R153-A157 PolarHBondContact O-N 3.44Å |
| 154 | L | 90.9 | Very high | 84.1 | Confident | 126 Ų | 126 | 98.2 Ų | 98.2 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | 175.2 | -72.6 | 172.3 | 0 | 0 | 0 | 111.7 | R150 A151 R152 A157 A158 | R150-L154 WeakPolarHBondContact O-CG 3.27Å; R150-L154 PolarHBondContact O-N 3.29Å; A151-L154 PolarHBondContact O-N 2.93Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 3.02Å; L154-A157 PolarHBondContact O-N 3.27Å; L154-A158 VanDerWaalsContact O-CB 3.27Å; L154-A158 WeakPolarHBondContact O-CB 3.26Å; L154-A158 PolarHBondContact O-N 3.17Å |
| 155 | Q | 87 | Confident | 82.6 | Confident | 144 Ų | 144 | 94.6 Ų | 94.6 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 174.5 | -177.2 | 178.7 | 28.2 | 0 | 0 | 111.8 | A151 R152 A158 G159 | A151-Q155 WeakPolarHBondContact O-CB 3.37Å; A151-Q155 PolarHBondContact O-N 3.05Å; R152-Q155 WeakPolarHBondContact O-CB 3.31Å; R152-Q155 PolarHBondContact O-N 3.39Å; R152-Q155 VanDerWaalsContact O-N 3.12Å; Q155-A158 PolarHBondContact O-N 3.43Å; Q155-G159 PolarHBondContact O-N 3.36Å |
| 156 | E | 86.9 | Confident | 80.9 | Confident | 129 Ų | 129 | 96.7 Ų | 96.7 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 176.7 | -73.1 | 168.2 | -173.1 | 0 | 0 | 111.4 | R152 R153 G159 S160 | R152-E156 WeakPolarHBondContact O-CG 3.42Å; R152-E156 PolarHBondContact O-N 3.06Å; R153-E156 PolarHBondContact O-N 3.24Å; E156-G159 PolarHBondContact O-N 2.9Å; E156-S160 WeakPolarHBondContact O-CB 3.48Å; E156-S160 PolarHBondContact O-N 3.34Å; E156-S160 PolarHBondContact O-OG 2.86Å |
| 157 | A | 82.9 | Confident | 79.2 | Confident | 52 Ų | 52 | 100.1 Ų | 100.1 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R153 L154 G159 S160 D161 | R153-A157 WeakPolarHBondContact O-CB 3.4Å; R153-A157 PolarHBondContact O-N 3.44Å; L154-A157 PolarHBondContact O-N 3.27Å; A157-G159 VanDerWaalsContact C-N 3.3Å; A157-G159 PolarHBondContact O-N 3.08Å; A157-S160 PolarHBondContact O-N 3.39Å; A157-S160 VanDerWaalsContact O-N 3.09Å; A157-D161 PolarHBondContact O-N 3.39Å |
| 158 | A | 77.4 | Confident | 77.9 | Confident | 60 Ų | 60 | 100.9 Ų | 100.9 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.9 | -31 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L154 Q155 | L154-A158 VanDerWaalsContact O-CB 3.27Å; L154-A158 WeakPolarHBondContact O-CB 3.26Å; L154-A158 PolarHBondContact O-N 3.17Å; Q155-A158 PolarHBondContact O-N 3.43Å |
| 159 | G | 67.4 | Low | 76.9 | Confident | 52 Ų | 52 | 103.6 Ų | 103.6 | 54% | 0.536 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76.8 | -22 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q155 E156 A157 | Q155-G159 PolarHBondContact O-N 3.36Å; E156-G159 PolarHBondContact O-N 2.9Å; A157-G159 VanDerWaalsContact C-N 3.3Å; A157-G159 PolarHBondContact O-N 3.08Å |
| 160 | S | 60 | Low | 76.3 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -82.2 | -23.9 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | E156 A157 D162 | E156-S160 WeakPolarHBondContact O-CB 3.48Å; E156-S160 PolarHBondContact O-N 3.34Å; E156-S160 PolarHBondContact O-OG 2.86Å; A157-S160 PolarHBondContact O-N 3.39Å; A157-S160 VanDerWaalsContact O-N 3.09Å; S160-D162 PolarHBondContact O-N 3.36Å |
| 161 | D | 58 | Low | 75.9 | Confident | 111 Ų | 111 | 98.4 Ų | 98.4 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.9 | 174.3 | -69 | -22.2 | 0 | 0 | 0 | 113 | A157 I163 | A157-D161 PolarHBondContact O-N 3.39Å; D161-I163 PolarHBondContact O-N 3.24Å |
| 162 | D | 62 | Low | 75.7 | Confident | 68 Ų | 68 | 98.9 Ų | 98.9 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | trans | -78.2 | 86.3 | 177.5 | -154.8 | 35.4 | 0 | 0 | 0 | 110.3 | S160 S164 Q190 | S160-D162 PolarHBondContact O-N 3.36Å; D162-S164 PolarHBondContact O-N 2.99Å; D162-Q190 WeakPolarHBondContact OD1-CG 3.45Å; D162-Q190 PolarHBondContact OD1-NE2 2.95Å | ||
| 163 | I | 58.6 | Low | 75.6 | Confident | 133 Ų | 133 | 98.6 Ų | 98.6 | 68% | 0.682 | 54% | 0.536 | S | S | * | . | trans | -64 | 100.9 | 171.1 | -57.7 | 168.7 | 0 | 0 | 0 | 107.2 | D161 L165 | D161-I163 PolarHBondContact O-N 3.24Å; I163-L165 PolarHBondContact O-N 2.92Å | ||
| 164 | S | 63.3 | Low | 75.4 | Confident | 74 Ų | 74 | 94.1 Ų | 94.1 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | trans | -58.2 | 110.1 | 179.2 | -178 | 0 | 0 | 0 | 0 | 110.7 | D162 Q166 | D162-S164 PolarHBondContact O-N 2.99Å; S164-Q166 PolarHBondContact O-N 2.82Å; S164-Q166 WeakPolarHBondContact OG-CB 3.32Å | ||
| 165 | L | 67.4 | Low | 75.5 | Confident | 36 Ų | 36 | 88.3 Ų | 88.3 | 19% | 0.188 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -71.2 | 10.5 | 172.8 | -64.7 | 176 | 0 | 0 | 0 | 113 | I163 D167 V168 Q190 F191 A194 | I163-L165 PolarHBondContact O-N 2.92Å; L165-D167 PolarHBondContact O-N 3.26Å; L165-V168 HydrophobicContact CD2-CG2 4.02Å; L165-V168 PolarHBondContact O-N 3.25Å; L165-V168 VanDerWaalsContact O-N 3.14Å; L165-Q190 HydrophobicContact CD1-CB 4.03Å; L165-F191 HydrophobicContact CD1-CD1 3.37Å; L165-F191 HydrophobicContact CD1-CE1 3.38Å; L165-F191 HydrophobicContact CD1-CG 4.05Å; L165-F191 HydrophobicContact CD1-CZ 4.06Å; L165-A194 HydrophobicContact CB-CB 4.28Å |
| 166 | Q | 63.1 | Low | 75.8 | Confident | 114 Ų | 114 | 86 Ų | 86 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -62.2 | -25.2 | -175 | -170.1 | 165.1 | 71.4 | 0 | 0 | 113.2 | S164 Q197 | S164-Q166 PolarHBondContact O-N 2.82Å; S164-Q166 WeakPolarHBondContact OG-CB 3.32Å; Q166-Q197 VanDerWaalsContact NE2-CD 3.29Å |
| 167 | D | 61.7 | Low | 76.2 | Confident | 164 Ų | 164 | 84.9 Ų | 84.9 | 88% | 0.877 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -96.3 | -5 | 178.3 | -102.1 | -3.9 | 0 | 0 | 0 | 114.5 | L165 | L165-D167 PolarHBondContact O-N 3.26Š|
| 168 | V | 72.3 | Confident | 76.7 | Confident | 70 Ų | 70 | 85.8 Ų | 85.8 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -84.3 | 125.2 | 178.4 | -168.8 | 0 | 0 | 0 | 0 | 109.1 | L165 M170 R198 | L165-V168 HydrophobicContact CD2-CG2 4.02Å; L165-V168 PolarHBondContact O-N 3.25Å; L165-V168 VanDerWaalsContact O-N 3.14Å; V168-M170 HydrophobicContact CB-CG 4.25Å; V168-M170 HydrophobicContact CG1-CG 3.58Å; V168-M170 HydrophobicContact CG1-SD 4.24Å; V168-M170 PolarHBondContact O-N 3.27Å; V168-R198 PolarHBondContact O-NH2 3.43Å |
| 169 | D | 76.6 | Confident | 77.4 | Confident | 141 Ų | 141 | 84.7 Ų | 84.7 | 75% | 0.754 | 46% | 0.462 | S | S | * | . | trans | -80.1 | 66.6 | 179.6 | -159 | 25.8 | 0 | 0 | 0 | 112.7 | R198 | D169-R198 IonicContact OD1-CZ 3.31Å; D169-R198 VanDerWaalsContact OD1-CZ 3.31Å; D169-R198 IonicContact OD1-NH1 2.79Å; D169-R198 PolarHBondContact OD1-NH1 2.99Å; D169-R198 IonicContact OD1-NH2 2.88Å; D169-R198 PolarHBondContact OD1-NH2 3.02Å | ||
| 170 | M | 83.4 | Confident | 78.7 | Confident | 32 Ų | 32 | 87.2 Ų | 87.2 | 16% | 0.158 | 47% | 0.47 | C | S | . | . | trans | -91.1 | 143 | 174.1 | -58.6 | -163.2 | 71.1 | 0 | 0 | 111.1 | V168 D174 L175 F191 R198 | V168-M170 HydrophobicContact CB-CG 4.25Å; V168-M170 HydrophobicContact CG1-CG 3.58Å; V168-M170 HydrophobicContact CG1-SD 4.24Å; V168-M170 PolarHBondContact O-N 3.27Å; M170-D174 HydrophobicContact CE-CB 3.72Å; M170-L175 HydrophobicContact CB-CD1 4.29Å; M170-L175 HydrophobicContact CB-CD2 4.05Å; M170-L175 HydrophobicContact CB-CG 3.82Å; M170-L175 HydrophobicContact SD-CD2 4.2Å; M170-F191 HydrophobicContact SD-CE1 4.35Å; M170-R198 PolarHBondContact O-NH1 3.38Å | ||
| 171 | D | 89 | Confident | 80.4 | Confident | 86 Ų | 86 | 88.5 Ų | 88.5 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | trans | -75.1 | 159.3 | 171.7 | -170.1 | 21 | 0 | 0 | 0 | 110.8 | K173 D174 L175 | D171-K173 PolarHBondContact O-N 2.86Å; D171-D174 PolarHBondContact N-OD2 3.37Å; D171-D174 PolarHBondContact O-N 3.29Å; D171-L175 WeakPolarHBondContact O-CG 3.39Å; D171-L175 PolarHBondContact O-N 2.96Å | ||
| 172 | I | 91.5 | Very high | 82.1 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 33% | 0.333 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.5 | -36 | 176.8 | -66.9 | 177.3 | 0 | 0 | 0 | 110.9 | L176 L195 R198 V199 | I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 PolarHBondContact O-N 2.94Å; I172-L195 HydrophobicContact CB-CD1 4.3Å; I172-L195 HydrophobicContact CG2-CD1 3.65Å; I172-L195 WeakPolarHBondContact O-CD1 3.41Å; I172-R198 HydrophobicContact CG1-CB 4.04Å; I172-V199 HydrophobicContact CD1-CG2 4.27Å |
| 173 | K | 92.9 | Very high | 83.4 | Confident | 153 Ų | 153 | 88.9 Ų | 88.9 | 67% | 0.665 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67 | -49 | 178.3 | -69.8 | -179.4 | 179.8 | 177.8 | 0 | 111.7 | D171 L175 L176 E177 | D171-K173 PolarHBondContact O-N 2.86Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.27Å; K173-L176 WeakPolarHBondContact O-CB 3.36Å; K173-L176 PolarHBondContact O-N 3.37Å; K173-L176 VanDerWaalsContact O-N 3.11Å; K173-E177 PolarHBondContact O-N 3.18Å |
| 174 | D | 91.7 | Very high | 84.9 | Confident | 67 Ų | 67 | 84.8 Ų | 84.8 | 36% | 0.358 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 179.6 | -48.6 | -29.7 | 0 | 0 | 0 | 109.9 | M170 D171 L176 E177 H178 | M170-D174 HydrophobicContact CE-CB 3.72Å; D171-D174 PolarHBondContact N-OD2 3.37Å; D171-D174 PolarHBondContact O-N 3.29Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 2.95Å; D174-E177 PolarHBondContact O-N 2.85Å; D174-H178 PolarHBondContact O-N 2.91Å; D174-H178 PolarHBondContact O-ND1 3.16Å |
| 175 | L | 92.4 | Very high | 86.1 | Confident | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.021 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61 | -38.3 | 175.8 | -73.2 | 167.3 | 0 | 0 | 0 | 112.6 | M170 D171 K173 V179 F191 A194 L195 R198 | M170-L175 HydrophobicContact CB-CD1 4.29Å; M170-L175 HydrophobicContact CB-CD2 4.05Å; M170-L175 HydrophobicContact CB-CG 3.82Å; M170-L175 HydrophobicContact SD-CD2 4.2Å; D171-L175 WeakPolarHBondContact O-CG 3.39Å; D171-L175 PolarHBondContact O-N 2.96Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.27Å; L175-V179 VanDerWaalsContact O-CG2 3.27Å; L175-V179 WeakPolarHBondContact O-CG2 3.31Å; L175-V179 PolarHBondContact O-N 3.25Å; L175-F191 HydrophobicContact CD2-CD1 4.09Å; L175-A194 HydrophobicContact CD1-CB 4.32Å; L175-A194 HydrophobicContact CD2-CB 3.8Å; L175-L195 HydrophobicContact CB-CB 4.09Å; L175-L195 HydrophobicContact CB-CD1 3.96Å; L175-R198 HydrophobicContact CD1-CB 4.42Å; L175-R198 HydrophobicContact CD1-CG 3.79Å |
| 176 | L | 94.3 | Very high | 86.9 | Confident | 95 Ų | 95 | 89.1 Ų | 89.1 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 177.3 | -169.3 | 76.2 | 0 | 0 | 0 | 111.5 | I172 K173 D174 V179 C180 L195 | I172-L176 WeakPolarHBondContact O-CB 3.39Å; I172-L176 PolarHBondContact O-N 2.94Å; K173-L176 WeakPolarHBondContact O-CB 3.36Å; K173-L176 PolarHBondContact O-N 3.37Å; K173-L176 VanDerWaalsContact O-N 3.11Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 2.95Å; L176-V179 PolarHBondContact O-N 2.89Å; L176-C180 PolarHBondContact O-N 2.82Å; L176-C180 PolarHBondContact O-SG 3.29Å; L176-C180 VanDerWaalsContact O-SG 3.36Å; L176-L195 HydrophobicContact CB-CD2 4.44Å; L176-L195 HydrophobicContact CD1-CD2 3.7Å |
| 177 | E | 94.8 | Very high | 88 | Confident | 107 Ų | 107 | 87.2 Ų | 87.2 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.7 | -171.6 | 168.3 | -148.6 | 0 | 0 | 110.7 | K173 D174 V179 C180 E181 | K173-E177 PolarHBondContact O-N 3.18Å; D174-E177 PolarHBondContact O-N 2.85Å; E177-V179 VanDerWaalsContact C-N 3.32Å; E177-V179 PolarHBondContact O-N 2.92Å; E177-C180 CarbonylContact O-C 3.59Å; E177-C180 WeakPolarHBondContact O-CA 3.26Å; E177-C180 WeakPolarHBondContact O-CB 3.47Å; E177-C180 PolarHBondContact O-N 2.85Å; E177-E181 WeakPolarHBondContact O-CB 3.48Å; E177-E181 WeakPolarHBondContact O-CG 3.5Å; E177-E181 PolarHBondContact O-N 2.91Å |
| 178 | H | 92.3 | Very high | 89.4 | Confident | 70 Ų | 70 | 82.4 Ų | 82.4 | 32% | 0.324 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.3 | -33 | 176.7 | -72 | 72 | 0 | 0 | 0 | 113.1 | D174 A182 F191 | D174-H178 PolarHBondContact O-N 2.91Å; D174-H178 PolarHBondContact O-ND1 3.16Å; H178-A182 VanDerWaalsContact O-CB 3.29Å; H178-A182 WeakPolarHBondContact O-CB 3.5Å; H178-A182 PolarHBondContact O-N 2.86Å; H178-F191 HydrophobicContact CB-CB 4.26Å; H178-F191 HydrophobicContact CB-CD1 3.74Å; H178-F191 HydrophobicContact CB-CD2 3.89Å; H178-F191 HydrophobicContact CB-CE1 3.98Å; H178-F191 HydrophobicContact CB-CE2 4.14Å; H178-F191 HydrophobicContact CB-CG 3.7Å; H178-F191 HydrophobicContact CB-CZ 4.19Å; H178-F191 AromaticContact CD2-CE1 3.86Å; H178-F191 AromaticContact CD2-CZ 3.8Å |
| 179 | V | 93.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 87.2 Ų | 87.2 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 172 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | L175 L176 E177 V188 F191 G192 | L175-V179 VanDerWaalsContact O-CG2 3.27Å; L175-V179 WeakPolarHBondContact O-CG2 3.31Å; L175-V179 PolarHBondContact O-N 3.25Å; L176-V179 PolarHBondContact O-N 2.89Å; E177-V179 VanDerWaalsContact C-N 3.32Å; E177-V179 PolarHBondContact O-N 2.92Å; V179-V188 HydrophobicContact CG1-CG1 4.46Å; V179-F191 HydrophobicContact CG2-CB 3.56Å; V179-G192 VanDerWaalsContact CG2-N 3.34Å |
| 180 | C | 93.7 | Very high | 90.6 | Very high | 105 Ų | 105 | 81.9 Ų | 81.9 | 71% | 0.709 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -73 | -31 | 178.8 | -72.8 | 0 | 0 | 0 | 0 | 113 | L176 E177 | L176-C180 PolarHBondContact O-N 2.82Å; L176-C180 PolarHBondContact O-SG 3.29Å; L176-C180 VanDerWaalsContact O-SG 3.36Å; E177-C180 CarbonylContact O-C 3.59Å; E177-C180 WeakPolarHBondContact O-CA 3.26Å; E177-C180 WeakPolarHBondContact O-CB 3.47Å; E177-C180 PolarHBondContact O-N 2.85Å |
| 181 | E | 95.3 | Very high | 90.9 | Very high | 126 Ų | 126 | 81.9 Ų | 81.9 | 59% | 0.589 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -94.8 | -4.2 | -179 | -66 | -177.7 | 169 | 0 | 0 | 113.7 | E177 D183 | E177-E181 WeakPolarHBondContact O-CB 3.48Å; E177-E181 WeakPolarHBondContact O-CG 3.5Å; E177-E181 PolarHBondContact O-N 2.91Å; E181-D183 PolarHBondContact O-N 3.46Å |
| 182 | A | 93.8 | Very high | 91 | Very high | 23 Ų | 23 | 78.7 Ų | 78.7 | 19% | 0.19 | 41% | 0.408 | C | S | . | . | trans | -63.1 | 126.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H178 E187 V188 | H178-A182 VanDerWaalsContact O-CB 3.29Å; H178-A182 WeakPolarHBondContact O-CB 3.5Å; H178-A182 PolarHBondContact O-N 2.86Å; A182-E187 HydrophobicContact CB-CB 3.72Å; A182-V188 HydrophobicContact CB-CB 4.47Å; A182-V188 HydrophobicContact CB-CG2 3.5Å; A182-V188 VanDerWaalsContact CB-CG2 3.5Å | ||
| 183 | D | 90.8 | Very high | 90.9 | Very high | 165 Ų | 165 | 78.6 Ų | 78.6 | 88% | 0.882 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -88.5 | -9.8 | 179.2 | -74 | -35.8 | 0 | 0 | 0 | 112.3 | E181 E187 | E181-D183 PolarHBondContact O-N 3.46Å; D183-E187 PolarHBondContact N-OE2 2.94Å |
| 184 | S | 90.1 | Very high | 90.7 | Very high | 46 Ų | 46 | 71.7 Ų | 71.7 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -129 | 149.6 | 179.9 | 74.3 | 0 | 0 | 0 | 0 | 113.5 | Q186 E187 V188 | S184-Q186 PolarHBondContact O-N 3.43Å; S184-E187 PolarHBondContact N-OE2 3.46Å; S184-E187 PolarHBondContact O-N 3.38Å; S184-E187 WeakPolarHBondContact OG-CB 3.45Å; S184-E187 VanDerWaalsContact OG-CD 3.22Å; S184-E187 VanDerWaalsContact OG-CG 3.23Å; S184-E187 WeakPolarHBondContact OG-CG 3.46Å; S184-E187 PolarHBondContact OG-N 2.86Å; S184-E187 VanDerWaalsContact OG-N 3.14Å; S184-E187 PolarHBondContact OG-OE2 3Å; S184-V188 WeakPolarHBondContact O-CG2 3.41Å; S184-V188 PolarHBondContact O-N 3.38Å; S184-V188 VanDerWaalsContact O-N 3.11Å |
| 185 | V | 87.3 | Confident | 90.8 | Very high | 112 Ų | 112 | 69.7 Ų | 69.7 | 68% | 0.679 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.6 | -27.5 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | R189 | V185-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 PolarHBondContact O-N 2.87Å; V185-R189 VanDerWaalsContact O-N 3.09Å |
| 186 | Q | 85.1 | Confident | 90.8 | Very high | 89 Ų | 89 | 72.9 Ų | 72.9 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71 | -46.4 | 178.2 | -175.7 | 169.6 | -1.8 | 0 | 0 | 111.3 | S184 R189 Q190 | S184-Q186 PolarHBondContact O-N 3.43Å; Q186-R189 WeakPolarHBondContact O-CB 3.48Å; Q186-R189 PolarHBondContact O-N 3.24Å; Q186-R189 VanDerWaalsContact O-N 3.14Å; Q186-Q190 WeakPolarHBondContact O-CG 3.46Å; Q186-Q190 PolarHBondContact O-N 2.77Å |
| 187 | E | 86.6 | Confident | 90.6 | Very high | 75 Ų | 75 | 71.6 Ų | 71.6 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175 | -73.7 | 161.4 | 161.9 | 0 | 0 | 111.4 | A182 D183 S184 R189 Q190 F191 | A182-E187 HydrophobicContact CB-CB 3.72Å; D183-E187 PolarHBondContact N-OE2 2.94Å; S184-E187 PolarHBondContact N-OE2 3.46Å; S184-E187 PolarHBondContact O-N 3.38Å; S184-E187 WeakPolarHBondContact OG-CB 3.45Å; S184-E187 VanDerWaalsContact OG-CD 3.22Å; S184-E187 VanDerWaalsContact OG-CG 3.23Å; S184-E187 WeakPolarHBondContact OG-CG 3.46Å; S184-E187 PolarHBondContact OG-N 2.86Å; S184-E187 VanDerWaalsContact OG-N 3.14Å; S184-E187 PolarHBondContact OG-OE2 3Å; E187-R189 PolarHBondContact O-N 3.35Å; E187-Q190 PolarHBondContact O-N 2.84Å; E187-Q190 VanDerWaalsContact O-N 3.13Å; E187-F191 HydrophobicContact CB-CD2 4.05Å; E187-F191 HydrophobicContact CB-CE2 4.04Å; E187-F191 HydrophobicContact CG-CE2 4.24Å; E187-F191 WeakPolarHBondContact O-CD2 3.37Å; E187-F191 PolarHBondContact O-N 3.31Å |
| 188 | V | 90.2 | Very high | 90.4 | Very high | 62 Ų | 62 | 70 Ų | 70 | 38% | 0.376 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.2 | -41.9 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111 | V179 A182 S184 G192 | V179-V188 HydrophobicContact CG1-CG1 4.46Å; A182-V188 HydrophobicContact CB-CB 4.47Å; A182-V188 HydrophobicContact CB-CG2 3.5Å; A182-V188 VanDerWaalsContact CB-CG2 3.5Å; S184-V188 WeakPolarHBondContact O-CG2 3.41Å; S184-V188 PolarHBondContact O-N 3.38Å; S184-V188 VanDerWaalsContact O-N 3.11Å; V188-G192 VanDerWaalsContact O-CA 3.24Å; V188-G192 WeakPolarHBondContact O-CA 3.47Å; V188-G192 PolarHBondContact O-N 3.48Å |
| 189 | R | 87.9 | Confident | 90.4 | Very high | 172 Ų | 172 | 69 Ų | 69 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.4 | -43.8 | 178.2 | -173 | -177.7 | -64.1 | 175.8 | 1.9 | 111.6 | V185 Q186 E187 S193 | V185-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 PolarHBondContact O-N 2.87Å; V185-R189 VanDerWaalsContact O-N 3.09Å; Q186-R189 WeakPolarHBondContact O-CB 3.48Å; Q186-R189 PolarHBondContact O-N 3.24Å; Q186-R189 VanDerWaalsContact O-N 3.14Å; E187-R189 PolarHBondContact O-N 3.35Å; R189-S193 WeakPolarHBondContact O-CB 3.35Å; R189-S193 PolarHBondContact O-N 3.31Å; R189-S193 PolarHBondContact O-OG 3.28Å |
| 190 | Q | 86.6 | Confident | 90.5 | Very high | 29 Ų | 29 | 75.3 Ų | 75.3 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.9 | -60.3 | -179.6 | -76.3 | 175.7 | 1.4 | 0 | 0 | 111.4 | D162 L165 Q186 E187 G192 S193 A194 | D162-Q190 WeakPolarHBondContact OD1-CG 3.45Å; D162-Q190 PolarHBondContact OD1-NE2 2.95Å; L165-Q190 HydrophobicContact CD1-CB 4.03Å; Q186-Q190 WeakPolarHBondContact O-CG 3.46Å; Q186-Q190 PolarHBondContact O-N 2.77Å; E187-Q190 PolarHBondContact O-N 2.84Å; E187-Q190 VanDerWaalsContact O-N 3.13Å; Q190-G192 VanDerWaalsContact C-N 3.31Å; Q190-G192 PolarHBondContact O-N 3.35Å; Q190-S193 PolarHBondContact O-N 3.21Å; Q190-S193 PolarHBondContact O-OG 3.44Å; Q190-A194 PolarHBondContact O-N 2.91Å; Q190-A194 VanDerWaalsContact O-N 3.12Å |
| 191 | F | 89.9 | Confident | 90.4 | Very high | 32 Ų | 32 | 73.7 Ų | 73.7 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 179.4 | -63.8 | -68.1 | 0 | 0 | 0 | 111.6 | L165 M170 L175 H178 V179 E187 A194 L195 | L165-F191 HydrophobicContact CD1-CD1 3.37Å; L165-F191 HydrophobicContact CD1-CE1 3.38Å; L165-F191 HydrophobicContact CD1-CG 4.05Å; L165-F191 HydrophobicContact CD1-CZ 4.06Å; M170-F191 HydrophobicContact SD-CE1 4.35Å; L175-F191 HydrophobicContact CD2-CD1 4.09Å; H178-F191 HydrophobicContact CB-CB 4.26Å; H178-F191 HydrophobicContact CB-CD1 3.74Å; H178-F191 HydrophobicContact CB-CD2 3.89Å; H178-F191 HydrophobicContact CB-CE1 3.98Å; H178-F191 HydrophobicContact CB-CE2 4.14Å; H178-F191 HydrophobicContact CB-CG 3.7Å; H178-F191 HydrophobicContact CB-CZ 4.19Å; H178-F191 AromaticContact CD2-CE1 3.86Å; H178-F191 AromaticContact CD2-CZ 3.8Å; V179-F191 HydrophobicContact CG2-CB 3.56Å; E187-F191 HydrophobicContact CB-CD2 4.05Å; E187-F191 HydrophobicContact CB-CE2 4.04Å; E187-F191 HydrophobicContact CG-CE2 4.24Å; E187-F191 WeakPolarHBondContact O-CD2 3.37Å; E187-F191 PolarHBondContact O-N 3.31Å; F191-A194 PolarHBondContact O-N 2.84Å; F191-L195 VanDerWaalsContact O-CB 3.28Å; F191-L195 WeakPolarHBondContact O-CB 3.32Å; F191-L195 PolarHBondContact O-N 3.08Å |
| 192 | G | 90.8 | Very high | 90.3 | Very high | 19 Ų | 19 | 70 Ų | 70 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | V179 V188 Q190 L195 V196 | V179-G192 VanDerWaalsContact CG2-N 3.34Å; V188-G192 VanDerWaalsContact O-CA 3.24Å; V188-G192 WeakPolarHBondContact O-CA 3.47Å; V188-G192 PolarHBondContact O-N 3.48Å; Q190-G192 VanDerWaalsContact C-N 3.31Å; Q190-G192 PolarHBondContact O-N 3.35Å; G192-L195 PolarHBondContact O-N 3.38Å; G192-V196 VanDerWaalsContact O-CG2 3.3Å; G192-V196 WeakPolarHBondContact O-CG2 3.46Å; G192-V196 PolarHBondContact O-N 3.2Å |
| 193 | S | 89.6 | Confident | 90.4 | Very high | 62 Ų | 62 | 73.8 Ų | 73.8 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 176.4 | 73.6 | 0 | 0 | 0 | 0 | 112 | R189 Q190 V196 Q197 | R189-S193 WeakPolarHBondContact O-CB 3.35Å; R189-S193 PolarHBondContact O-N 3.31Å; R189-S193 PolarHBondContact O-OG 3.28Å; Q190-S193 PolarHBondContact O-N 3.21Å; Q190-S193 PolarHBondContact O-OG 3.44Å; S193-V196 PolarHBondContact O-N 2.93Å; S193-Q197 PolarHBondContact O-N 2.93Å |
| 194 | A | 89.5 | Confident | 90.7 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | L165 L175 Q190 F191 Q197 R198 | L165-A194 HydrophobicContact CB-CB 4.28Å; L175-A194 HydrophobicContact CD1-CB 4.32Å; L175-A194 HydrophobicContact CD2-CB 3.8Å; Q190-A194 PolarHBondContact O-N 2.91Å; Q190-A194 VanDerWaalsContact O-N 3.12Å; F191-A194 PolarHBondContact O-N 2.84Å; A194-Q197 PolarHBondContact O-N 2.92Å; A194-R198 WeakPolarHBondContact O-CG 3.4Å; A194-R198 PolarHBondContact O-N 3.31Å |
| 195 | L | 92.1 | Very high | 91 | Very high | 25 Ų | 25 | 77.4 Ų | 77.4 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59 | -50.4 | 175.3 | -179.8 | 62 | 0 | 0 | 0 | 111.8 | I172 L175 L176 F191 G192 Q197 R198 V199 | I172-L195 HydrophobicContact CB-CD1 4.3Å; I172-L195 HydrophobicContact CG2-CD1 3.65Å; I172-L195 WeakPolarHBondContact O-CD1 3.41Å; L175-L195 HydrophobicContact CB-CB 4.09Å; L175-L195 HydrophobicContact CB-CD1 3.96Å; L176-L195 HydrophobicContact CB-CD2 4.44Å; L176-L195 HydrophobicContact CD1-CD2 3.7Å; F191-L195 VanDerWaalsContact O-CB 3.28Å; F191-L195 WeakPolarHBondContact O-CB 3.32Å; F191-L195 PolarHBondContact O-N 3.08Å; G192-L195 PolarHBondContact O-N 3.38Å; L195-Q197 VanDerWaalsContact C-N 3.28Å; L195-Q197 PolarHBondContact O-N 3.39Å; L195-R198 PolarHBondContact O-N 2.87Å; L195-V199 HydrophobicContact CD1-CG2 4.49Å; L195-V199 WeakPolarHBondContact O-CG2 3.41Å; L195-V199 PolarHBondContact O-N 3.42Å |
| 196 | V | 92.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 80.1 Ų | 80.1 | 42% | 0.424 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 178 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | G192 S193 V199 R200 | G192-V196 VanDerWaalsContact O-CG2 3.3Å; G192-V196 WeakPolarHBondContact O-CG2 3.46Å; G192-V196 PolarHBondContact O-N 3.2Å; S193-V196 PolarHBondContact O-N 2.93Å; V196-V199 PolarHBondContact O-N 2.95Å; V196-R200 WeakPolarHBondContact O-CG 3.43Å; V196-R200 PolarHBondContact O-N 3.42Å |
| 197 | Q | 90.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 79.6 Ų | 79.6 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 177.8 | -175.7 | 172.8 | -1.9 | 0 | 0 | 112.3 | Q166 S193 A194 L195 V199 R200 L201 | Q166-Q197 VanDerWaalsContact NE2-CD 3.29Å; S193-Q197 PolarHBondContact O-N 2.93Å; A194-Q197 PolarHBondContact O-N 2.92Å; L195-Q197 VanDerWaalsContact C-N 3.28Å; L195-Q197 PolarHBondContact O-N 3.39Å; Q197-V199 PolarHBondContact O-N 3.29Å; Q197-R200 PolarHBondContact O-N 2.97Å; Q197-L201 HydrophobicContact CG-CD1 4.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.33Å; Q197-L201 PolarHBondContact O-N 2.87Å |
| 198 | R | 90.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 79.7 Ų | 79.7 | 27% | 0.272 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.4 | -73.9 | -75.9 | 178.2 | 143.8 | -17 | 111.8 | V168 D169 M170 I172 L175 A194 L195 R200 L201 A202 | V168-R198 PolarHBondContact O-NH2 3.43Å; D169-R198 IonicContact OD1-CZ 3.31Å; D169-R198 VanDerWaalsContact OD1-CZ 3.31Å; D169-R198 IonicContact OD1-NH1 2.79Å; D169-R198 PolarHBondContact OD1-NH1 2.99Å; D169-R198 IonicContact OD1-NH2 2.88Å; D169-R198 PolarHBondContact OD1-NH2 3.02Å; M170-R198 PolarHBondContact O-NH1 3.38Å; I172-R198 HydrophobicContact CG1-CB 4.04Å; L175-R198 HydrophobicContact CD1-CB 4.42Å; L175-R198 HydrophobicContact CD1-CG 3.79Å; A194-R198 WeakPolarHBondContact O-CG 3.4Å; A194-R198 PolarHBondContact O-N 3.31Å; L195-R198 PolarHBondContact O-N 2.87Å; R198-R200 PolarHBondContact O-N 3.3Å; R198-L201 PolarHBondContact O-N 3.18Å; R198-A202 WeakPolarHBondContact O-CB 3.46Å; R198-A202 PolarHBondContact O-N 3.09Å |
| 199 | V | 93.2 | Very high | 93 | Very high | 51 Ų | 51 | 80.9 Ų | 80.9 | 31% | 0.309 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | I172 L195 V196 Q197 A202 Q203 | I172-V199 HydrophobicContact CD1-CG2 4.27Å; L195-V199 HydrophobicContact CD1-CG2 4.49Å; L195-V199 WeakPolarHBondContact O-CG2 3.41Å; L195-V199 PolarHBondContact O-N 3.42Å; V196-V199 PolarHBondContact O-N 2.95Å; Q197-V199 PolarHBondContact O-N 3.29Å; V199-A202 PolarHBondContact O-N 3.46Å; V199-Q203 HydrophobicContact CG1-CG 4.5Å; V199-Q203 VanDerWaalsContact O-CG 3.3Å; V199-Q203 WeakPolarHBondContact O-CG 3.32Å; V199-Q203 PolarHBondContact O-N 3.38Å |
| 200 | R | 93.6 | Very high | 93.5 | Very high | 168 Ų | 168 | 76.1 Ų | 76.1 | 63% | 0.634 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 176.9 | -74.6 | 177.2 | -176.1 | 173.4 | 3.2 | 112.1 | V196 Q197 R198 A202 Q203 Q204 | V196-R200 WeakPolarHBondContact O-CG 3.43Å; V196-R200 PolarHBondContact O-N 3.42Å; Q197-R200 PolarHBondContact O-N 2.97Å; R198-R200 PolarHBondContact O-N 3.3Å; R200-A202 VanDerWaalsContact C-N 3.33Å; R200-A202 PolarHBondContact O-N 2.95Å; R200-Q203 PolarHBondContact O-N 3.5Å; R200-Q204 WeakPolarHBondContact O-CB 3.3Å; R200-Q204 PolarHBondContact O-N 2.86Å |
| 201 | L | 92.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 77.6 Ų | 77.6 | 37% | 0.372 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.1 | -73 | 173.5 | 0 | 0 | 0 | 111.9 | Q197 R198 Q204 R205 | Q197-L201 HydrophobicContact CG-CD1 4.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.33Å; Q197-L201 PolarHBondContact O-N 2.87Å; R198-L201 PolarHBondContact O-N 3.18Å; L201-Q204 PolarHBondContact O-N 3.31Å; L201-R205 WeakPolarHBondContact O-CB 3.35Å; L201-R205 WeakPolarHBondContact O-CG 3.38Å; L201-R205 PolarHBondContact O-N 3.06Å |
| 202 | A | 93.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 82.6 Ų | 82.6 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R198 V199 R200 R206 | R198-A202 WeakPolarHBondContact O-CB 3.46Å; R198-A202 PolarHBondContact O-N 3.09Å; V199-A202 PolarHBondContact O-N 3.46Å; R200-A202 VanDerWaalsContact C-N 3.33Å; R200-A202 PolarHBondContact O-N 2.95Å; A202-R206 WeakPolarHBondContact O-CB 3.43Å; A202-R206 PolarHBondContact O-N 3.41Å |
| 203 | Q | 96.5 | Very high | 94.8 | Very high | 104 Ų | 104 | 87.2 Ų | 87.2 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.8 | -73.4 | 174.9 | 0.4 | 0 | 0 | 111.9 | V199 R200 R206 S207 | V199-Q203 HydrophobicContact CG1-CG 4.5Å; V199-Q203 VanDerWaalsContact O-CG 3.3Å; V199-Q203 WeakPolarHBondContact O-CG 3.32Å; V199-Q203 PolarHBondContact O-N 3.38Å; R200-Q203 PolarHBondContact O-N 3.5Å; Q203-R206 PolarHBondContact O-N 2.9Å; Q203-S207 PolarHBondContact O-N 2.92Å |
| 204 | Q | 96.6 | Very high | 95.2 | Very high | 113 Ų | 113 | 89.6 Ų | 89.6 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 176.8 | -176.4 | 178.4 | -5.9 | 0 | 0 | 111.1 | R200 L201 R206 S207 D208 | R200-Q204 WeakPolarHBondContact O-CB 3.3Å; R200-Q204 PolarHBondContact O-N 2.86Å; L201-Q204 PolarHBondContact O-N 3.31Å; Q204-R206 VanDerWaalsContact C-N 3.27Å; Q204-R206 PolarHBondContact O-N 3.15Å; Q204-S207 WeakPolarHBondContact O-CA 3.33Å; Q204-S207 WeakPolarHBondContact O-CB 3.36Å; Q204-S207 PolarHBondContact O-N 2.9Å; Q204-D208 VanDerWaalsContact O-CG 3.3Å; Q204-D208 PolarHBondContact O-N 2.94Å |
| 205 | R | 96.6 | Very high | 95.6 | Very high | 174 Ų | 174 | 95.5 Ų | 95.5 | 66% | 0.657 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -55 | -43.3 | 176.1 | -75.8 | 179 | -177.9 | 170.9 | 1.8 | 112 | L201 D208 I209 | L201-R205 WeakPolarHBondContact O-CB 3.35Å; L201-R205 WeakPolarHBondContact O-CG 3.38Å; L201-R205 PolarHBondContact O-N 3.06Å; R205-D208 PolarHBondContact O-N 3.28Å; R205-I209 VanDerWaalsContact O-CG1 3.25Å; R205-I209 WeakPolarHBondContact O-CG1 3.33Å; R205-I209 PolarHBondContact O-N 3.48Å |
| 206 | R | 97.3 | Very high | 95.9 | Very high | 169 Ų | 169 | 97 Ų | 97 | 64% | 0.638 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 176.5 | -171.5 | 177.2 | 68.3 | -152.7 | 1.8 | 111.5 | A202 Q203 Q204 D208 I209 T210 | A202-R206 WeakPolarHBondContact O-CB 3.43Å; A202-R206 PolarHBondContact O-N 3.41Å; Q203-R206 PolarHBondContact O-N 2.9Å; Q204-R206 VanDerWaalsContact C-N 3.27Å; Q204-R206 PolarHBondContact O-N 3.15Å; R206-D208 VanDerWaalsContact C-N 3.33Å; R206-D208 PolarHBondContact O-N 2.93Å; R206-I209 PolarHBondContact O-N 2.92Å; R206-T210 PolarHBondContact O-N 3.3Å; R206-T210 PolarHBondContact O-OG1 2.99Å; R206-T210 VanDerWaalsContact O-OG1 3.05Å |
| 207 | S | 97.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 97.8 Ų | 97.8 | 54% | 0.538 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 112 | Q203 Q204 T210 A211 | Q203-S207 PolarHBondContact O-N 2.92Å; Q204-S207 WeakPolarHBondContact O-CA 3.33Å; Q204-S207 WeakPolarHBondContact O-CB 3.36Å; Q204-S207 PolarHBondContact O-N 2.9Å; S207-T210 PolarHBondContact O-N 3.37Å; S207-A211 WeakPolarHBondContact O-CB 3.49Å; S207-A211 PolarHBondContact O-N 3.25Å |
| 208 | D | 98.1 | Very high | 96.6 | Very high | 77 Ų | 77 | 98 Ų | 98 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 179.8 | -66.1 | -21.6 | 0 | 0 | 0 | 111.5 | Q204 R205 R206 A211 Q212 | Q204-D208 VanDerWaalsContact O-CG 3.3Å; Q204-D208 PolarHBondContact O-N 2.94Å; R205-D208 PolarHBondContact O-N 3.28Å; R206-D208 VanDerWaalsContact C-N 3.33Å; R206-D208 PolarHBondContact O-N 2.93Å; D208-A211 PolarHBondContact O-N 2.89Å; D208-Q212 WeakPolarHBondContact O-CG 3.43Å; D208-Q212 PolarHBondContact O-N 3.47Å |
| 209 | I | 98 | Very high | 96.9 | Very high | 87 Ų | 87 | 98.5 Ų | 98.5 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 174.9 | -68.9 | 164.1 | 0 | 0 | 0 | 109.9 | R205 R206 A211 Q212 E213 | R205-I209 VanDerWaalsContact O-CG1 3.25Å; R205-I209 WeakPolarHBondContact O-CG1 3.33Å; R205-I209 PolarHBondContact O-N 3.48Å; R206-I209 PolarHBondContact O-N 2.92Å; I209-A211 VanDerWaalsContact C-N 3.26Å; I209-A211 PolarHBondContact O-N 3.39Å; I209-Q212 PolarHBondContact O-N 3.46Å; I209-Q212 VanDerWaalsContact O-N 3.09Å; I209-E213 HydrophobicContact CG2-CG 4.24Å; I209-E213 WeakPolarHBondContact O-CG 3.39Å; I209-E213 PolarHBondContact O-N 2.84Å |
| 210 | T | 98.3 | Very high | 97.1 | Very high | 73 Ų | 73 | 102.4 Ų | 102.4 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 112 | R206 S207 M214 | R206-T210 PolarHBondContact O-N 3.3Å; R206-T210 PolarHBondContact O-OG1 2.99Å; R206-T210 VanDerWaalsContact O-OG1 3.05Å; S207-T210 PolarHBondContact O-N 3.37Å; T210-M214 WeakPolarHBondContact O-CB 3.3Å; T210-M214 PolarHBondContact O-N 3.45Å |
| 211 | A | 98.4 | Very high | 97.3 | Very high | 60 Ų | 60 | 101.3 Ų | 101.3 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S207 D208 I209 K215 | S207-A211 WeakPolarHBondContact O-CB 3.49Å; S207-A211 PolarHBondContact O-N 3.25Å; D208-A211 PolarHBondContact O-N 2.89Å; I209-A211 VanDerWaalsContact C-N 3.26Å; I209-A211 PolarHBondContact O-N 3.39Å; A211-K215 WeakPolarHBondContact O-CB 3.39Å; A211-K215 PolarHBondContact O-N 3.49Å |
| 212 | Q | 98.2 | Very high | 97.6 | Very high | 137 Ų | 137 | 101.1 Ų | 101.1 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 175.9 | -72.6 | 177.9 | 3.5 | 0 | 0 | 112.1 | D208 I209 K215 A216 | D208-Q212 WeakPolarHBondContact O-CG 3.43Å; D208-Q212 PolarHBondContact O-N 3.47Å; I209-Q212 PolarHBondContact O-N 3.46Å; I209-Q212 VanDerWaalsContact O-N 3.09Å; Q212-K215 PolarHBondContact O-N 3.47Å; Q212-A216 WeakPolarHBondContact O-CB 3.46Å; Q212-A216 PolarHBondContact O-N 3.32Å |
| 213 | E | 98 | Very high | 97.8 | Very high | 116 Ų | 116 | 104.4 Ų | 104.4 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 175.2 | -72.2 | 176.2 | 162.2 | 0 | 0 | 111.1 | I209 K215 A216 V217 | I209-E213 HydrophobicContact CG2-CG 4.24Å; I209-E213 WeakPolarHBondContact O-CG 3.39Å; I209-E213 PolarHBondContact O-N 2.84Å; E213-K215 VanDerWaalsContact C-N 3.29Å; E213-K215 PolarHBondContact O-N 2.91Å; E213-A216 PolarHBondContact O-N 2.9Å; E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 3.4Å |
| 214 | M | 98.3 | Very high | 97.8 | Very high | 112 Ų | 112 | 102.5 Ų | 102.5 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -42.3 | 176.6 | -169.4 | 63.7 | 60.2 | 0 | 0 | 111.6 | T210 V217 I218 | T210-M214 WeakPolarHBondContact O-CB 3.3Å; T210-M214 PolarHBondContact O-N 3.45Å; M214-V217 PolarHBondContact O-N 3.38Å; M214-I218 HydrophobicContact CG-CD1 4.1Å; M214-I218 VanDerWaalsContact O-CG1 3.26Å; M214-I218 WeakPolarHBondContact O-CG1 3.43Å; M214-I218 PolarHBondContact O-N 2.92Å |
| 215 | K | 98.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 100.8 Ų | 100.8 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 176.2 | -176.6 | 177.8 | 175.4 | -176.8 | 0 | 111.5 | A211 Q212 E213 V217 I218 E219 | A211-K215 WeakPolarHBondContact O-CB 3.39Å; A211-K215 PolarHBondContact O-N 3.49Å; Q212-K215 PolarHBondContact O-N 3.47Å; E213-K215 VanDerWaalsContact C-N 3.29Å; E213-K215 PolarHBondContact O-N 2.91Å; K215-V217 VanDerWaalsContact C-N 3.35Å; K215-V217 PolarHBondContact O-N 3.37Å; K215-I218 PolarHBondContact O-N 3.28Å; K215-E219 WeakPolarHBondContact CE-OE1 3.33Å; K215-E219 WeakPolarHBondContact O-CG 3.44Å; K215-E219 PolarHBondContact O-N 3.26Å |
| 216 | A | 98.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q212 E213 I218 E219 E220 | Q212-A216 WeakPolarHBondContact O-CB 3.46Å; Q212-A216 PolarHBondContact O-N 3.32Å; E213-A216 PolarHBondContact O-N 2.9Å; A216-I218 PolarHBondContact O-N 3.09Å; A216-E219 PolarHBondContact O-N 3.11Å; A216-E220 WeakPolarHBondContact O-CB 3.46Å; A216-E220 PolarHBondContact O-N 3.17Å |
| 217 | V | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 96.6 Ų | 96.6 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | E213 M214 K215 E220 R221 | E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 3.4Å; M214-V217 PolarHBondContact O-N 3.38Å; K215-V217 VanDerWaalsContact C-N 3.35Å; K215-V217 PolarHBondContact O-N 3.37Å; V217-E220 PolarHBondContact O-N 3.07Å; V217-R221 WeakPolarHBondContact O-CB 3.39Å; V217-R221 PolarHBondContact O-N 3.01Å |
| 218 | I | 97.9 | Very high | 97.8 | Very high | 73 Ų | 73 | 96.5 Ų | 96.5 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 176.8 | -69.9 | 166.4 | 0 | 0 | 0 | 110.6 | M214 K215 A216 E220 R221 D222 | M214-I218 HydrophobicContact CG-CD1 4.1Å; M214-I218 VanDerWaalsContact O-CG1 3.26Å; M214-I218 WeakPolarHBondContact O-CG1 3.43Å; M214-I218 PolarHBondContact O-N 2.92Å; K215-I218 PolarHBondContact O-N 3.28Å; A216-I218 PolarHBondContact O-N 3.09Å; I218-E220 VanDerWaalsContact C-N 3.34Å; I218-E220 PolarHBondContact O-N 3.43Å; I218-R221 WeakPolarHBondContact O-CB 3.35Å; I218-R221 PolarHBondContact O-N 2.93Å; I218-D222 WeakPolarHBondContact O-CB 3.47Å; I218-D222 PolarHBondContact O-N 2.92Å |
| 219 | E | 97.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 98.8 Ų | 98.8 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 178.9 | -72.7 | 178.3 | -167.5 | 0 | 0 | 112.7 | K215 A216 K223 | K215-E219 WeakPolarHBondContact CE-OE1 3.33Å; K215-E219 WeakPolarHBondContact O-CG 3.44Å; K215-E219 PolarHBondContact O-N 3.26Å; A216-E219 PolarHBondContact O-N 3.11Å; E219-K223 WeakPolarHBondContact O-CB 3.33Å; E219-K223 WeakPolarHBondContact O-CD 3.34Å; E219-K223 WeakPolarHBondContact O-CG 3.32Å; E219-K223 PolarHBondContact O-N 3.36Å |
| 220 | E | 97.9 | Very high | 97.6 | Very high | 132 Ų | 132 | 100.6 Ų | 100.6 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 175.5 | -175.7 | 179.2 | -172.6 | 0 | 0 | 112 | A216 V217 I218 K223 S224 | A216-E220 WeakPolarHBondContact O-CB 3.46Å; A216-E220 PolarHBondContact O-N 3.17Å; V217-E220 PolarHBondContact O-N 3.07Å; I218-E220 VanDerWaalsContact C-N 3.34Å; I218-E220 PolarHBondContact O-N 3.43Å; E220-K223 PolarHBondContact O-N 3.21Å; E220-S224 WeakPolarHBondContact O-CB 3.38Å; E220-S224 PolarHBondContact O-N 2.93Å; E220-S224 PolarHBondContact O-OG 3.33Å |
| 221 | R | 97.9 | Very high | 97.5 | Very high | 146 Ų | 146 | 100.5 Ų | 100.5 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.9 | -49.3 | 173.9 | 179.7 | -158.1 | 66 | 167 | -3.8 | 110.5 | V217 I218 K223 S224 V225 | V217-R221 WeakPolarHBondContact O-CB 3.39Å; V217-R221 PolarHBondContact O-N 3.01Å; I218-R221 WeakPolarHBondContact O-CB 3.35Å; I218-R221 PolarHBondContact O-N 2.93Å; R221-K223 PolarHBondContact O-N 3.26Å; R221-S224 WeakPolarHBondContact O-CB 3.44Å; R221-S224 PolarHBondContact O-N 2.96Å; R221-S224 VanDerWaalsContact O-N 3.09Å; R221-V225 HydrophobicContact CG-CG2 4.46Å; R221-V225 WeakPolarHBondContact O-CG2 3.35Å; R221-V225 PolarHBondContact O-N 2.97Å |
| 222 | D | 98.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 102.6 Ų | 102.6 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | -177.3 | -66.8 | -7.1 | 0 | 0 | 0 | 111 | I218 S224 V225 D226 | I218-D222 WeakPolarHBondContact O-CB 3.47Å; I218-D222 PolarHBondContact O-N 2.92Å; D222-S224 VanDerWaalsContact C-N 3.25Å; D222-S224 PolarHBondContact O-N 3.04Å; D222-V225 PolarHBondContact O-N 3.11Å; D222-D226 PolarHBondContact O-N 3.22Å |
| 223 | K | 97.7 | Very high | 97.3 | Very high | 118 Ų | 118 | 102.5 Ų | 102.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.1 | -37.2 | 172.7 | -73 | 165.7 | -171.4 | 162.2 | 0 | 112.8 | E219 E220 R221 K227 | E219-K223 WeakPolarHBondContact O-CB 3.33Å; E219-K223 WeakPolarHBondContact O-CD 3.34Å; E219-K223 WeakPolarHBondContact O-CG 3.32Å; E219-K223 PolarHBondContact O-N 3.36Å; E220-K223 PolarHBondContact O-N 3.21Å; R221-K223 PolarHBondContact O-N 3.26Å; K223-K227 VanDerWaalsContact O-CG 3.28Å; K223-K227 WeakPolarHBondContact O-CG 3.29Å; K223-K227 PolarHBondContact O-N 3.02Å; K223-K227 VanDerWaalsContact O-N 3.13Å |
| 224 | S | 96.5 | Very high | 97.1 | Very high | 63 Ų | 63 | 101.1 Ų | 101.1 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.6 | -39.4 | 178.9 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | E220 R221 D222 K227 S228 | E220-S224 WeakPolarHBondContact O-CB 3.38Å; E220-S224 PolarHBondContact O-N 2.93Å; E220-S224 PolarHBondContact O-OG 3.33Å; R221-S224 WeakPolarHBondContact O-CB 3.44Å; R221-S224 PolarHBondContact O-N 2.96Å; R221-S224 VanDerWaalsContact O-N 3.09Å; D222-S224 VanDerWaalsContact C-N 3.25Å; D222-S224 PolarHBondContact O-N 3.04Å; S224-K227 PolarHBondContact O-N 3.43Å; S224-S228 WeakPolarHBondContact O-CB 3.24Å; S224-S228 PolarHBondContact O-N 3.48Å |
| 225 | V | 97.7 | Very high | 96.9 | Very high | 77 Ų | 77 | 100.4 Ų | 100.4 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 173.3 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | R221 D222 K227 S228 M229 | R221-V225 HydrophobicContact CG-CG2 4.46Å; R221-V225 WeakPolarHBondContact O-CG2 3.35Å; R221-V225 PolarHBondContact O-N 2.97Å; D222-V225 PolarHBondContact O-N 3.11Å; V225-K227 PolarHBondContact O-N 3.36Å; V225-S228 WeakPolarHBondContact O-CB 3.41Å; V225-S228 PolarHBondContact O-N 3.38Å; V225-M229 HydrophobicContact CG1-CG 4.37Å; V225-M229 WeakPolarHBondContact O-CB 3.25Å; V225-M229 WeakPolarHBondContact O-CG 3.44Å; V225-M229 PolarHBondContact O-N 3.13Å |
| 226 | D | 97.3 | Very high | 96.8 | Very high | 108 Ų | 108 | 97.1 Ų | 97.1 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -44.1 | 177.7 | -73 | -20.8 | 0 | 0 | 0 | 112 | D222 M229 F230 | D222-D226 PolarHBondContact O-N 3.22Å; D226-M229 PolarHBondContact O-N 3Å; D226-F230 WeakPolarHBondContact O-CB 3.46Å; D226-F230 PolarHBondContact O-N 3.3Å |
| 227 | K | 97 | Very high | 96.6 | Very high | 147 Ų | 147 | 96 Ų | 96 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 174.7 | -73.6 | 172.4 | -176.6 | 178.7 | 0 | 112.1 | K223 S224 V225 M229 F230 T231 | K223-K227 VanDerWaalsContact O-CG 3.28Å; K223-K227 WeakPolarHBondContact O-CG 3.29Å; K223-K227 PolarHBondContact O-N 3.02Å; K223-K227 VanDerWaalsContact O-N 3.13Å; S224-K227 PolarHBondContact O-N 3.43Å; V225-K227 PolarHBondContact O-N 3.36Å; K227-M229 VanDerWaalsContact C-N 3.35Å; K227-F230 PolarHBondContact O-N 3.15Å; K227-T231 WeakPolarHBondContact O-CB 3.32Å; K227-T231 WeakPolarHBondContact O-CG2 3.35Å; K227-T231 PolarHBondContact O-N 3.46Å; K227-T231 PolarHBondContact O-OG1 3.45Å |
| 228 | S | 95.4 | Very high | 96.4 | Very high | 75 Ų | 75 | 97.3 Ų | 97.3 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 176.9 | -171 | 0 | 0 | 0 | 0 | 111.3 | S224 V225 T231 Q232 | S224-S228 WeakPolarHBondContact O-CB 3.24Å; S224-S228 PolarHBondContact O-N 3.48Å; V225-S228 WeakPolarHBondContact O-CB 3.41Å; V225-S228 PolarHBondContact O-N 3.38Å; S228-T231 PolarHBondContact O-OG1 2.89Å; S228-T231 VanDerWaalsContact O-OG1 3.09Å; S228-Q232 WeakPolarHBondContact O-CB 3.24Å; S228-Q232 PolarHBondContact O-N 3.06Å |
| 229 | M | 96.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 97.8 Ų | 97.8 | 62% | 0.616 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 176.4 | -78.2 | -68.9 | -62.6 | 0 | 0 | 111.7 | V225 D226 K227 Q232 Q233 | V225-M229 HydrophobicContact CG1-CG 4.37Å; V225-M229 WeakPolarHBondContact O-CB 3.25Å; V225-M229 WeakPolarHBondContact O-CG 3.44Å; V225-M229 PolarHBondContact O-N 3.13Å; D226-M229 PolarHBondContact O-N 3Å; K227-M229 VanDerWaalsContact C-N 3.35Å; M229-Q232 PolarHBondContact O-N 3.22Å; M229-Q233 WeakPolarHBondContact O-CB 3.45Å; M229-Q233 PolarHBondContact O-N 2.93Å |
| 230 | F | 96.5 | Very high | 96.1 | Very high | 126 Ų | 126 | 101.3 Ų | 101.3 | 55% | 0.553 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -50.7 | 178.5 | -178.2 | -97.4 | 0 | 0 | 0 | 111.9 | D226 K227 Q232 Q233 D234 | D226-F230 WeakPolarHBondContact O-CB 3.46Å; D226-F230 PolarHBondContact O-N 3.3Å; K227-F230 PolarHBondContact O-N 3.15Å; F230-Q232 VanDerWaalsContact C-N 3.3Å; F230-Q232 PolarHBondContact O-N 3.18Å; F230-Q233 PolarHBondContact O-N 3.22Å; F230-D234 WeakPolarHBondContact CE1-OD2 3.44Å; F230-D234 WeakPolarHBondContact CZ-OD2 3.42Å; F230-D234 PolarHBondContact O-N 2.98Å |
| 231 | T | 95.7 | Very high | 95.8 | Very high | 71 Ų | 71 | 98.3 Ų | 98.3 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 178 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | K227 S228 N235 | K227-T231 WeakPolarHBondContact O-CB 3.32Å; K227-T231 WeakPolarHBondContact O-CG2 3.35Å; K227-T231 PolarHBondContact O-N 3.46Å; K227-T231 PolarHBondContact O-OG1 3.45Å; S228-T231 PolarHBondContact O-OG1 2.89Å; S228-T231 VanDerWaalsContact O-OG1 3.09Å; T231-N235 WeakPolarHBondContact O-CB 3.3Å; T231-N235 VanDerWaalsContact O-CG 3.26Å; T231-N235 PolarHBondContact O-N 2.89Å; T231-N235 PolarHBondContact O-ND2 3.44Å; T231-N235 VanDerWaalsContact O-ND2 3.08Å |
| 232 | Q | 95.9 | Very high | 95.6 | Very high | 103 Ų | 103 | 95.2 Ų | 95.2 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 173 | -174.5 | 64.9 | 26.1 | 0 | 0 | 111.7 | S228 M229 F230 N235 D236 | S228-Q232 WeakPolarHBondContact O-CB 3.24Å; S228-Q232 PolarHBondContact O-N 3.06Å; M229-Q232 PolarHBondContact O-N 3.22Å; F230-Q232 VanDerWaalsContact C-N 3.3Å; F230-Q232 PolarHBondContact O-N 3.18Å; Q232-N235 PolarHBondContact O-N 3.47Å; Q232-D236 PolarHBondContact NE2-OD1 2.89Å; Q232-D236 PolarHBondContact O-N 3.41Å |
| 233 | Q | 95.5 | Very high | 95.4 | Very high | 136 Ų | 136 | 97 Ų | 97 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 178.6 | -174.4 | 175 | 3.1 | 0 | 0 | 112.2 | M229 F230 D236 G237 | M229-Q233 WeakPolarHBondContact O-CB 3.45Å; M229-Q233 PolarHBondContact O-N 2.93Å; F230-Q233 PolarHBondContact O-N 3.22Å; Q233-D236 PolarHBondContact O-N 3.19Å; Q233-G237 PolarHBondContact O-N 2.95Å |
| 234 | D | 95 | Very high | 95.2 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 175.2 | -80.9 | -6 | 0 | 0 | 0 | 111.7 | F230 G237 M238 | F230-D234 WeakPolarHBondContact CE1-OD2 3.44Å; F230-D234 WeakPolarHBondContact CZ-OD2 3.42Å; F230-D234 PolarHBondContact O-N 2.98Å; D234-G237 PolarHBondContact O-N 3.45Å; D234-M238 WeakPolarHBondContact O-CB 3.2Å; D234-M238 PolarHBondContact O-N 2.94Å |
| 235 | N | 94.3 | Very high | 95 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 175.3 | -79.7 | -35.6 | 0 | 0 | 0 | 111.5 | T231 Q232 G237 M238 V239 | T231-N235 WeakPolarHBondContact O-CB 3.3Å; T231-N235 VanDerWaalsContact O-CG 3.26Å; T231-N235 PolarHBondContact O-N 2.89Å; T231-N235 PolarHBondContact O-ND2 3.44Å; T231-N235 VanDerWaalsContact O-ND2 3.08Å; Q232-N235 PolarHBondContact O-N 3.47Å; N235-G237 VanDerWaalsContact C-N 3.3Å; N235-G237 PolarHBondContact O-N 3.22Å; N235-M238 PolarHBondContact O-N 2.72Å; N235-V239 VanDerWaalsContact O-CG2 3.31Å; N235-V239 WeakPolarHBondContact O-CG2 3.47Å; N235-V239 PolarHBondContact O-N 2.96Å |
| 236 | D | 95.1 | Very high | 94.8 | Very high | 64 Ų | 64 | 101.1 Ų | 101.1 | 34% | 0.342 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 176.6 | -75 | -8.9 | 0 | 0 | 0 | 111.6 | Q232 Q233 R240 | Q232-D236 PolarHBondContact NE2-OD1 2.89Å; Q232-D236 PolarHBondContact O-N 3.41Å; Q233-D236 PolarHBondContact O-N 3.19Å; D236-R240 WeakPolarHBondContact O-CB 3.48Å; D236-R240 VanDerWaalsContact O-CG 3.24Å; D236-R240 WeakPolarHBondContact O-CG 3.43Å; D236-R240 PolarHBondContact O-N 2.97Å; D236-R240 IonicContact OD2-NH2 3.77Å |
| 237 | G | 94.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 100 Ų | 100 | 32% | 0.32 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q233 D234 N235 R240 S241 | Q233-G237 PolarHBondContact O-N 2.95Å; D234-G237 PolarHBondContact O-N 3.45Å; N235-G237 VanDerWaalsContact C-N 3.3Å; N235-G237 PolarHBondContact O-N 3.22Å; G237-R240 PolarHBondContact O-N 3.28Å; G237-S241 PolarHBondContact O-N 3.39Å |
| 238 | M | 93.4 | Very high | 94.6 | Very high | 116 Ų | 116 | 98 Ų | 98 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 177.1 | -171.4 | 68.2 | 71.7 | 0 | 0 | 111.8 | D234 N235 R240 S241 N242 | D234-M238 WeakPolarHBondContact O-CB 3.2Å; D234-M238 PolarHBondContact O-N 2.94Å; N235-M238 PolarHBondContact O-N 2.72Å; M238-R240 PolarHBondContact O-N 3.47Å; M238-S241 PolarHBondContact O-N 3.37Å; M238-N242 WeakPolarHBondContact O-CB 3.38Å; M238-N242 PolarHBondContact O-N 3Å; M238-N242 PolarHBondContact O-ND2 3.34Å; M238-N242 VanDerWaalsContact O-ND2 3.08Å |
| 239 | V | 94.7 | Very high | 94.5 | Very high | 83 Ų | 83 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | N235 N242 L243 | N235-V239 VanDerWaalsContact O-CG2 3.31Å; N235-V239 WeakPolarHBondContact O-CG2 3.47Å; N235-V239 PolarHBondContact O-N 2.96Å; V239-N242 PolarHBondContact O-N 3.02Å; V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 WeakPolarHBondContact O-CB 3.28Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.33Å; V239-L243 PolarHBondContact O-N 2.99Å |
| 240 | R | 94.6 | Very high | 94.3 | Very high | 157 Ų | 157 | 100.6 Ų | 100.6 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -46.5 | 175.9 | -71.3 | 174.5 | -145.6 | 152.9 | 5.4 | 111.9 | D236 G237 M238 L243 T244 | D236-R240 WeakPolarHBondContact O-CB 3.48Å; D236-R240 VanDerWaalsContact O-CG 3.24Å; D236-R240 WeakPolarHBondContact O-CG 3.43Å; D236-R240 PolarHBondContact O-N 2.97Å; D236-R240 IonicContact OD2-NH2 3.77Å; G237-R240 PolarHBondContact O-N 3.28Å; M238-R240 PolarHBondContact O-N 3.47Å; R240-L243 PolarHBondContact O-N 2.93Å; R240-T244 WeakPolarHBondContact O-CG2 3.47Å; R240-T244 PolarHBondContact O-N 2.78Å; R240-T244 PolarHBondContact O-OG1 3.45Å |
| 241 | S | 92.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 100.2 Ų | 100.2 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 179 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | G237 M238 L243 T244 F245 | G237-S241 PolarHBondContact O-N 3.39Å; M238-S241 PolarHBondContact O-N 3.37Å; S241-L243 VanDerWaalsContact C-N 3.33Å; S241-L243 PolarHBondContact O-N 3.04Å; S241-T244 WeakPolarHBondContact CA-OG1 3.39Å; S241-T244 PolarHBondContact O-N 3.17Å; S241-T244 VanDerWaalsContact O-N 3.15Å; S241-T244 PolarHBondContact O-OG1 3.06Å; S241-F245 WeakPolarHBondContact O-CB 3.25Å; S241-F245 PolarHBondContact O-N 3.11Å |
| 242 | N | 92.8 | Very high | 94.2 | Very high | 82 Ų | 82 | 101.5 Ų | 101.5 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.7 | -79.2 | -45.7 | 0 | 0 | 0 | 112.5 | M238 V239 F245 K246 | M238-N242 WeakPolarHBondContact O-CB 3.38Å; M238-N242 PolarHBondContact O-N 3Å; M238-N242 PolarHBondContact O-ND2 3.34Å; M238-N242 VanDerWaalsContact O-ND2 3.08Å; V239-N242 PolarHBondContact O-N 3.02Å; N242-F245 PolarHBondContact O-N 2.93Å; N242-K246 WeakPolarHBondContact O-CB 3.41Å; N242-K246 VanDerWaalsContact O-CG 3.32Å; N242-K246 WeakPolarHBondContact O-CG 3.41Å; N242-K246 PolarHBondContact O-N 3.36Å |
| 243 | L | 94.2 | Very high | 94.1 | Very high | 104 Ų | 104 | 98.8 Ų | 98.8 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 173.4 | -72.8 | 169 | 0 | 0 | 0 | 111.1 | V239 R240 S241 F245 K246 V247 | V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 WeakPolarHBondContact O-CB 3.28Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.33Å; V239-L243 PolarHBondContact O-N 2.99Å; R240-L243 PolarHBondContact O-N 2.93Å; S241-L243 VanDerWaalsContact C-N 3.33Å; S241-L243 PolarHBondContact O-N 3.04Å; L243-F245 VanDerWaalsContact C-N 3.34Å; L243-F245 PolarHBondContact O-N 3.17Å; L243-K246 PolarHBondContact O-N 3.29Å; L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.42Å; L243-V247 PolarHBondContact O-N 3.46Å |
| 244 | T | 92.6 | Very high | 94 | Very high | 93 Ų | 93 | 94 Ų | 94 | 57% | 0.571 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -38.5 | 177.5 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | R240 S241 V247 L248 | R240-T244 WeakPolarHBondContact O-CG2 3.47Å; R240-T244 PolarHBondContact O-N 2.78Å; R240-T244 PolarHBondContact O-OG1 3.45Å; S241-T244 WeakPolarHBondContact CA-OG1 3.39Å; S241-T244 PolarHBondContact O-N 3.17Å; S241-T244 VanDerWaalsContact O-N 3.15Å; S241-T244 PolarHBondContact O-OG1 3.06Å; T244-V247 PolarHBondContact O-N 3.01Å; T244-L248 WeakPolarHBondContact O-CB 3.46Å; T244-L248 PolarHBondContact O-N 2.88Å |
| 245 | F | 93.6 | Very high | 94 | Very high | 125 Ų | 125 | 94 Ų | 94 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 177.7 | -173.2 | -92.4 | 0 | 0 | 0 | 111.2 | S241 N242 L243 V247 L248 E249 | S241-F245 WeakPolarHBondContact O-CB 3.25Å; S241-F245 PolarHBondContact O-N 3.11Å; N242-F245 PolarHBondContact O-N 2.93Å; L243-F245 VanDerWaalsContact C-N 3.34Å; L243-F245 PolarHBondContact O-N 3.17Å; F245-V247 VanDerWaalsContact C-N 3.34Å; F245-V247 PolarHBondContact O-N 3.04Å; F245-L248 PolarHBondContact O-N 3.43Å; F245-E249 WeakPolarHBondContact O-CB 3.33Å; F245-E249 PolarHBondContact O-N 2.98Å |
| 246 | K | 93.8 | Very high | 93.9 | Very high | 126 Ų | 126 | 95.5 Ų | 95.5 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 174.3 | -75 | 178.7 | 178.7 | -174.7 | 0 | 112 | N242 L243 L248 E249 E250 | N242-K246 WeakPolarHBondContact O-CB 3.41Å; N242-K246 VanDerWaalsContact O-CG 3.32Å; N242-K246 WeakPolarHBondContact O-CG 3.41Å; N242-K246 PolarHBondContact O-N 3.36Å; L243-K246 PolarHBondContact O-N 3.29Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 3.03Å; K246-E249 PolarHBondContact O-N 3Å; K246-E250 WeakPolarHBondContact O-CB 3.34Å; K246-E250 VanDerWaalsContact O-CG 3.32Å; K246-E250 WeakPolarHBondContact O-CG 3.44Å; K246-E250 PolarHBondContact O-N 3.08Å |
| 247 | V | 93.8 | Very high | 93.9 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 177 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | L243 T244 F245 M251 | L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.42Å; L243-V247 PolarHBondContact O-N 3.46Å; T244-V247 PolarHBondContact O-N 3.01Å; F245-V247 VanDerWaalsContact C-N 3.34Å; F245-V247 PolarHBondContact O-N 3.04Å; V247-M251 WeakPolarHBondContact O-CB 3.37Å; V247-M251 PolarHBondContact O-N 3.44Å |
| 248 | L | 94.8 | Very high | 93.8 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 177.1 | -167.4 | 100.2 | 0 | 0 | 0 | 111.6 | T244 F245 K246 M251 L252 | T244-L248 WeakPolarHBondContact O-CB 3.46Å; T244-L248 PolarHBondContact O-N 2.88Å; F245-L248 PolarHBondContact O-N 3.43Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 3.03Å; L248-M251 PolarHBondContact O-N 2.85Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 PolarHBondContact O-N 3.22Å |
| 249 | E | 93.3 | Very high | 93.8 | Very high | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.6 | -173.4 | 174 | -164.9 | 0 | 0 | 111.3 | F245 K246 M251 L252 A253 | F245-E249 WeakPolarHBondContact O-CB 3.33Å; F245-E249 PolarHBondContact O-N 2.98Å; K246-E249 PolarHBondContact O-N 3Å; E249-M251 VanDerWaalsContact C-N 3.33Å; E249-M251 PolarHBondContact O-N 3.06Å; E249-L252 PolarHBondContact O-N 2.9Å; E249-A253 WeakPolarHBondContact O-CB 3.27Å; E249-A253 PolarHBondContact O-N 2.99Å |
| 250 | E | 93.7 | Very high | 93.8 | Very high | 136 Ų | 136 | 103.2 Ų | 103.2 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.3 | -41.9 | 173.9 | -74.5 | 174.2 | -172.1 | 0 | 0 | 111.9 | K246 A254 | K246-E250 WeakPolarHBondContact O-CB 3.34Å; K246-E250 VanDerWaalsContact O-CG 3.32Å; K246-E250 WeakPolarHBondContact O-CG 3.44Å; K246-E250 PolarHBondContact O-N 3.08Å; E250-A254 WeakPolarHBondContact O-CB 3.42Å; E250-A254 PolarHBondContact O-N 3.22Å |
| 251 | M | 94.1 | Very high | 93.7 | Very high | 119 Ų | 119 | 98.6 Ų | 98.6 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 176.5 | -171.8 | -164.7 | -52.3 | 0 | 0 | 112.1 | V247 L248 E249 A254 Q255 | V247-M251 WeakPolarHBondContact O-CB 3.37Å; V247-M251 PolarHBondContact O-N 3.44Å; L248-M251 PolarHBondContact O-N 2.85Å; E249-M251 VanDerWaalsContact C-N 3.33Å; E249-M251 PolarHBondContact O-N 3.06Å; M251-A254 PolarHBondContact O-N 2.83Å; M251-Q255 WeakPolarHBondContact O-CB 3.31Å; M251-Q255 PolarHBondContact O-N 3.46Å |
| 252 | L | 95 | Very high | 93.8 | Very high | 97 Ų | 97 | 99.9 Ų | 99.9 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.2 | -38.7 | -179.8 | -166.5 | 116 | 0 | 0 | 0 | 111.7 | L248 E249 Q255 K256 | L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 PolarHBondContact O-N 3.22Å; E249-L252 PolarHBondContact O-N 2.9Å; L252-Q255 PolarHBondContact O-N 2.86Å; L252-K256 HydrophobicContact CD2-CD 4.35Å; L252-K256 WeakPolarHBondContact O-CG 3.32Å; L252-K256 PolarHBondContact O-N 3.32Å |
| 253 | A | 94.3 | Very high | 93.8 | Very high | 46 Ų | 46 | 101.5 Ų | 101.5 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E249 Q255 K256 D257 | E249-A253 WeakPolarHBondContact O-CB 3.27Å; E249-A253 PolarHBondContact O-N 2.99Å; A253-Q255 PolarHBondContact O-N 2.98Å; A253-K256 PolarHBondContact O-N 2.89Å; A253-K256 VanDerWaalsContact O-N 3.16Å; A253-D257 PolarHBondContact O-N 3.38Å |
| 254 | A | 94.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 99.7 Ų | 99.7 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -32.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | E250 M251 R258 | E250-A254 WeakPolarHBondContact O-CB 3.42Å; E250-A254 PolarHBondContact O-N 3.22Å; M251-A254 PolarHBondContact O-N 2.83Å; A254-R258 VanDerWaalsContact O-CG 3.26Å; A254-R258 WeakPolarHBondContact O-CG 3.42Å; A254-R258 PolarHBondContact O-N 3.35Å; A254-R258 VanDerWaalsContact O-N 3.16Å |
| 255 | Q | 93.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 104.1 Ų | 104.1 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.3 | -44.4 | 175.6 | -173.9 | 60.1 | 23.7 | 0 | 0 | 112.2 | M251 L252 A253 D257 R258 D259 | M251-Q255 WeakPolarHBondContact O-CB 3.31Å; M251-Q255 PolarHBondContact O-N 3.46Å; L252-Q255 PolarHBondContact O-N 2.86Å; A253-Q255 PolarHBondContact O-N 2.98Å; Q255-D257 VanDerWaalsContact C-N 3.32Å; Q255-D257 PolarHBondContact O-N 3.06Å; Q255-R258 WeakPolarHBondContact O-CB 3.48Å; Q255-R258 PolarHBondContact O-N 3.16Å; Q255-D259 PolarHBondContact NE2-OD1 2.92Å; Q255-D259 VanDerWaalsContact O-CG 3.31Å; Q255-D259 PolarHBondContact O-N 3.17Å |
| 256 | K | 93.7 | Very high | 93.6 | Very high | 129 Ų | 129 | 103.2 Ų | 103.2 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 175.3 | -75.1 | 177.1 | 178.2 | 174.3 | 0 | 111.6 | L252 A253 R258 D259 Q260 | L252-K256 HydrophobicContact CD2-CD 4.35Å; L252-K256 WeakPolarHBondContact O-CG 3.32Å; L252-K256 PolarHBondContact O-N 3.32Å; A253-K256 PolarHBondContact O-N 2.89Å; A253-K256 VanDerWaalsContact O-N 3.16Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.26Å; K256-D259 PolarHBondContact O-N 3.01Å; K256-Q260 VanDerWaalsContact O-CB 3.28Å; K256-Q260 WeakPolarHBondContact O-CB 3.39Å; K256-Q260 PolarHBondContact O-N 2.94Å |
| 257 | D | 93.4 | Very high | 93.6 | Very high | 103 Ų | 103 | 101.9 Ų | 101.9 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -40.3 | 177.5 | -69 | -12.2 | 0 | 0 | 0 | 111.2 | A253 Q255 A261 | A253-D257 PolarHBondContact O-N 3.38Å; Q255-D257 VanDerWaalsContact C-N 3.32Å; Q255-D257 PolarHBondContact O-N 3.06Å; D257-A261 VanDerWaalsContact O-CB 3.27Å; D257-A261 WeakPolarHBondContact O-CB 3.43Å; D257-A261 PolarHBondContact O-N 3.47Å |
| 258 | R | 93.6 | Very high | 93.5 | Very high | 147 Ų | 147 | 102.7 Ų | 102.7 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -47.7 | 172.5 | -74.9 | 172.5 | -171.4 | 138.7 | 4 | 112.1 | A254 Q255 K256 Q260 A261 L262 | A254-R258 VanDerWaalsContact O-CG 3.26Å; A254-R258 WeakPolarHBondContact O-CG 3.42Å; A254-R258 PolarHBondContact O-N 3.35Å; A254-R258 VanDerWaalsContact O-N 3.16Å; Q255-R258 WeakPolarHBondContact O-CB 3.48Å; Q255-R258 PolarHBondContact O-N 3.16Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.26Å; R258-Q260 VanDerWaalsContact C-N 3.33Å; R258-Q260 PolarHBondContact O-N 3.34Å; R258-A261 PolarHBondContact O-N 2.92Å; R258-L262 VanDerWaalsContact O-CG 3.31Å; R258-L262 WeakPolarHBondContact O-CG 3.33Å; R258-L262 PolarHBondContact O-N 3.11Å |
| 259 | D | 93.9 | Very high | 93.3 | Very high | 75 Ų | 75 | 99.9 Ų | 99.9 | 40% | 0.401 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | -178.9 | -67.4 | -20.7 | 0 | 0 | 0 | 111.5 | Q255 K256 L262 M263 | Q255-D259 PolarHBondContact NE2-OD1 2.92Å; Q255-D259 VanDerWaalsContact O-CG 3.31Å; Q255-D259 PolarHBondContact O-N 3.17Å; K256-D259 PolarHBondContact O-N 3.01Å; D259-L262 WeakPolarHBondContact O-CB 3.44Å; D259-L262 PolarHBondContact O-N 2.9Å; D259-M263 WeakPolarHBondContact O-CG 3.5Å; D259-M263 PolarHBondContact O-N 2.98Å |
| 260 | Q | 94.1 | Very high | 93.1 | Very high | 130 Ų | 130 | 97.8 Ų | 97.8 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.7 | -42.4 | 176.2 | -156 | 171.3 | 20.1 | 0 | 0 | 110.9 | K256 R258 L262 M263 S264 | K256-Q260 VanDerWaalsContact O-CB 3.28Å; K256-Q260 WeakPolarHBondContact O-CB 3.39Å; K256-Q260 PolarHBondContact O-N 2.94Å; R258-Q260 VanDerWaalsContact C-N 3.33Å; R258-Q260 PolarHBondContact O-N 3.34Å; Q260-L262 VanDerWaalsContact C-N 3.31Å; Q260-L262 PolarHBondContact O-N 3.3Å; Q260-M263 PolarHBondContact O-N 3.27Å; Q260-S264 PolarHBondContact O-N 3.33Å; Q260-S264 PolarHBondContact O-OG 3.15Å |
| 261 | A | 93.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D257 R258 R265 | D257-A261 VanDerWaalsContact O-CB 3.27Å; D257-A261 WeakPolarHBondContact O-CB 3.43Å; D257-A261 PolarHBondContact O-N 3.47Å; R258-A261 PolarHBondContact O-N 2.92Å; A261-R265 VanDerWaalsContact O-CB 3.32Å; A261-R265 WeakPolarHBondContact O-CB 3.43Å; A261-R265 PolarHBondContact O-N 3.45Å |
| 262 | L | 93.3 | Very high | 92.6 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174 | -73.6 | 172.9 | 0 | 0 | 0 | 112.1 | R258 D259 Q260 R265 L266 | R258-L262 VanDerWaalsContact O-CG 3.31Å; R258-L262 WeakPolarHBondContact O-CG 3.33Å; R258-L262 PolarHBondContact O-N 3.11Å; D259-L262 WeakPolarHBondContact O-CB 3.44Å; D259-L262 PolarHBondContact O-N 2.9Å; Q260-L262 VanDerWaalsContact C-N 3.31Å; Q260-L262 PolarHBondContact O-N 3.3Å; L262-R265 WeakPolarHBondContact O-CB 3.4Å; L262-R265 PolarHBondContact O-N 2.91Å; L262-L266 WeakPolarHBondContact O-CG 3.34Å; L262-L266 PolarHBondContact O-N 3.38Å |
| 263 | M | 93.5 | Very high | 92.2 | Very high | 116 Ų | 116 | 98.5 Ų | 98.5 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 176.6 | -79.7 | -67.9 | -68.6 | 0 | 0 | 112 | D259 Q260 R265 L266 L267 | D259-M263 WeakPolarHBondContact O-CG 3.5Å; D259-M263 PolarHBondContact O-N 2.98Å; Q260-M263 PolarHBondContact O-N 3.27Å; M263-R265 VanDerWaalsContact C-N 3.27Å; M263-R265 PolarHBondContact O-N 2.9Å; M263-L266 PolarHBondContact O-N 3.01Å; M263-L267 WeakPolarHBondContact O-CG 3.38Å; M263-L267 PolarHBondContact O-N 3.18Å |
| 264 | S | 91.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 99.8 Ų | 99.8 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 173.8 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | Q260 L267 L268 | Q260-S264 PolarHBondContact O-N 3.33Å; Q260-S264 PolarHBondContact O-OG 3.15Å; S264-L267 PolarHBondContact O-N 3.49Å; S264-L268 WeakPolarHBondContact O-CG 3.4Å; S264-L268 PolarHBondContact O-N 2.93Å |
| 265 | R | 92.2 | Very high | 91.6 | Very high | 187 Ų | 187 | 102.9 Ų | 102.9 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -37.2 | 176.1 | -172.7 | 176.4 | 169.5 | -177.2 | -3.6 | 112.8 | A261 L262 M263 A269 | A261-R265 VanDerWaalsContact O-CB 3.32Å; A261-R265 WeakPolarHBondContact O-CB 3.43Å; A261-R265 PolarHBondContact O-N 3.45Å; L262-R265 WeakPolarHBondContact O-CB 3.4Å; L262-R265 PolarHBondContact O-N 2.91Å; M263-R265 VanDerWaalsContact C-N 3.27Å; M263-R265 PolarHBondContact O-N 2.9Å; R265-A269 WeakPolarHBondContact O-CB 3.48Å; R265-A269 PolarHBondContact O-N 2.89Å |
| 266 | L | 93.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 101.3 Ų | 101.3 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 175.8 | -75 | 172.9 | 0 | 0 | 0 | 112.8 | L262 M263 A269 N270 | L262-L266 WeakPolarHBondContact O-CG 3.34Å; L262-L266 PolarHBondContact O-N 3.38Å; M263-L266 PolarHBondContact O-N 3.01Å; L266-A269 PolarHBondContact O-N 2.88Å; L266-N270 WeakPolarHBondContact O-CB 3.45Å; L266-N270 PolarHBondContact O-N 3.49Å |
| 267 | L | 93.8 | Very high | 90.7 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 175.4 | -73.9 | 175.6 | 0 | 0 | 0 | 110.9 | M263 S264 A269 N270 E271 | M263-L267 WeakPolarHBondContact O-CG 3.38Å; M263-L267 PolarHBondContact O-N 3.18Å; S264-L267 PolarHBondContact O-N 3.49Å; L267-A269 VanDerWaalsContact C-N 3.32Å; L267-A269 PolarHBondContact O-N 3.28Å; L267-N270 PolarHBondContact O-N 2.94Å; L267-N270 VanDerWaalsContact O-N 3.08Å; L267-E271 WeakPolarHBondContact O-CG 3.3Å; L267-E271 PolarHBondContact O-N 3.06Å |
| 268 | L | 91.4 | Very high | 90.2 | Very high | 101 Ų | 101 | 99.2 Ų | 99.2 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57 | -45.3 | 174.4 | -71.2 | 172.1 | 0 | 0 | 0 | 111.5 | S264 N270 E271 E272 | S264-L268 WeakPolarHBondContact O-CG 3.4Å; S264-L268 PolarHBondContact O-N 2.93Å; L268-N270 VanDerWaalsContact C-N 3.3Å; L268-N270 PolarHBondContact O-N 3.44Å; L268-E271 PolarHBondContact O-N 2.86Å; L268-E272 WeakPolarHBondContact O-CB 3.3Å; L268-E272 VanDerWaalsContact O-CG 3.28Å; L268-E272 WeakPolarHBondContact O-CG 3.48Å; L268-E272 PolarHBondContact O-N 3.47Å |
| 269 | A | 89.3 | Confident | 89.6 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R265 L266 L267 R273 | R265-A269 WeakPolarHBondContact O-CB 3.48Å; R265-A269 PolarHBondContact O-N 2.89Å; L266-A269 PolarHBondContact O-N 2.88Å; L267-A269 VanDerWaalsContact C-N 3.32Å; L267-A269 PolarHBondContact O-N 3.28Å; A269-R273 VanDerWaalsContact O-CB 3.3Å; A269-R273 WeakPolarHBondContact O-CB 3.3Å; A269-R273 PolarHBondContact O-N 3.43Å |
| 270 | N | 88.8 | Confident | 88.8 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.7 | -40.6 | 175.7 | -91.3 | -36.1 | 0 | 0 | 0 | 112.6 | L266 L267 L268 R273 D274 | L266-N270 WeakPolarHBondContact O-CB 3.45Å; L266-N270 PolarHBondContact O-N 3.49Å; L267-N270 PolarHBondContact O-N 2.94Å; L267-N270 VanDerWaalsContact O-N 3.08Å; L268-N270 VanDerWaalsContact C-N 3.3Å; L268-N270 PolarHBondContact O-N 3.44Å; N270-R273 WeakPolarHBondContact O-CB 3.42Å; N270-R273 PolarHBondContact O-N 3.25Å; N270-R273 PolarHBondContact OD1-NE 3.38Å; N270-R273 VanDerWaalsContact OD1-NE 3.16Å; N270-R273 PolarHBondContact OD1-NH2 3.42Å; N270-D274 WeakPolarHBondContact O-CB 3.48Å; N270-D274 PolarHBondContact O-N 3.47Å |
| 271 | E | 90.4 | Very high | 87.9 | Confident | 114 Ų | 114 | 101.1 Ų | 101.1 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 172.8 | -72.6 | 174.8 | 173.5 | 0 | 0 | 110.3 | L267 L268 R273 D274 E275 | L267-E271 WeakPolarHBondContact O-CG 3.3Å; L267-E271 PolarHBondContact O-N 3.06Å; L268-E271 PolarHBondContact O-N 2.86Å; E271-R273 VanDerWaalsContact C-N 3.3Å; E271-R273 PolarHBondContact O-N 3.44Å; E271-D274 PolarHBondContact O-N 3.48Å; E271-E275 WeakPolarHBondContact O-CB 3.47Å; E271-E275 WeakPolarHBondContact O-CG 3.25Å; E271-E275 PolarHBondContact O-N 3.33Å |
| 272 | E | 87.7 | Confident | 86.8 | Confident | 138 Ų | 138 | 107.5 Ų | 107.5 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.7 | -41.3 | 173.3 | -73.8 | 175.7 | 175.3 | 0 | 0 | 112 | L268 A276 | L268-E272 WeakPolarHBondContact O-CB 3.3Å; L268-E272 VanDerWaalsContact O-CG 3.28Å; L268-E272 WeakPolarHBondContact O-CG 3.48Å; L268-E272 PolarHBondContact O-N 3.47Å; E272-A276 VanDerWaalsContact O-CB 3.31Å; E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 3.15Å |
| 273 | R | 87.5 | Confident | 85.6 | Confident | 115 Ų | 115 | 110.3 Ų | 110.3 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 175.9 | -177.4 | -173.9 | 61.1 | 62.3 | 11.8 | 111.9 | A269 N270 E271 A276 L277 | A269-R273 VanDerWaalsContact O-CB 3.3Å; A269-R273 WeakPolarHBondContact O-CB 3.3Å; A269-R273 PolarHBondContact O-N 3.43Å; N270-R273 WeakPolarHBondContact O-CB 3.42Å; N270-R273 PolarHBondContact O-N 3.25Å; N270-R273 PolarHBondContact OD1-NE 3.38Å; N270-R273 VanDerWaalsContact OD1-NE 3.16Å; N270-R273 PolarHBondContact OD1-NH2 3.42Å; E271-R273 VanDerWaalsContact C-N 3.3Å; E271-R273 PolarHBondContact O-N 3.44Å; R273-A276 WeakPolarHBondContact O-CB 3.46Å; R273-A276 PolarHBondContact O-N 3.29Å; R273-L277 VanDerWaalsContact NH1-CD1 3.35Å; R273-L277 WeakPolarHBondContact O-CG 3.37Å; R273-L277 PolarHBondContact O-N 3.31Å |
| 274 | D | 86.7 | Confident | 83.5 | Confident | 73 Ų | 73 | 115.7 Ų | 115.7 | 39% | 0.39 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.9 | -35.9 | -178.9 | -72.3 | -24.6 | 0 | 0 | 0 | 111.4 | N270 E271 L277 L278 | N270-D274 WeakPolarHBondContact O-CB 3.48Å; N270-D274 PolarHBondContact O-N 3.47Å; E271-D274 PolarHBondContact O-N 3.48Å; D274-L277 PolarHBondContact O-N 3.18Å; D274-L278 WeakPolarHBondContact O-CB 3.16Å; D274-L278 WeakPolarHBondContact O-CG 3.17Å; D274-L278 PolarHBondContact O-N 3.41Å |
| 275 | E | 87.4 | Confident | 83.1 | Confident | 101 Ų | 101 | 118.2 Ų | 118.2 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.9 | -45.1 | 168.1 | -79 | -164.3 | -171.4 | 0 | 0 | 111.9 | E271 L277 L278 R279 | E271-E275 WeakPolarHBondContact O-CB 3.47Å; E271-E275 WeakPolarHBondContact O-CG 3.25Å; E271-E275 PolarHBondContact O-N 3.33Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.04Å; E275-L278 PolarHBondContact O-N 3.15Å; E275-R279 WeakPolarHBondContact O-CB 3.31Å; E275-R279 VanDerWaalsContact O-CG 3.26Å; E275-R279 WeakPolarHBondContact O-CG 3.16Å; E275-R279 PolarHBondContact O-N 2.74Å; E275-R279 IonicContact OE2-CZ 3.75Å; E275-R279 IonicContact OE2-NH2 2.79Å; E275-R279 PolarHBondContact OE2-NH2 3.37Å |
| 276 | A | 84.2 | Confident | 82.6 | Confident | 53 Ų | 53 | 114.5 Ų | 114.5 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.8 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E272 R273 R279 A280 | E272-A276 VanDerWaalsContact O-CB 3.31Å; E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 3.15Å; R273-A276 WeakPolarHBondContact O-CB 3.46Å; R273-A276 PolarHBondContact O-N 3.29Å; A276-R279 PolarHBondContact O-N 3.06Å; A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 3.01Å |
| 277 | L | 84.8 | Confident | 82.1 | Confident | 91 Ų | 91 | 115.1 Ų | 115.1 | 48% | 0.476 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -40.4 | 174.6 | -72.2 | 173.7 | 0 | 0 | 0 | 112.8 | R273 D274 E275 R279 A280 R281 | R273-L277 VanDerWaalsContact NH1-CD1 3.35Å; R273-L277 WeakPolarHBondContact O-CG 3.37Å; R273-L277 PolarHBondContact O-N 3.31Å; D274-L277 PolarHBondContact O-N 3.18Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.04Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-A280 PolarHBondContact O-N 2.81Å; L277-R281 PolarHBondContact O-N 3.29Å |
| 278 | L | 83.4 | Confident | 81.4 | Confident | 98 Ų | 98 | 116.1 Ų | 116.1 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -32.3 | 174 | -75.4 | 172.8 | 0 | 0 | 0 | 112.2 | D274 E275 R282 | D274-L278 WeakPolarHBondContact O-CB 3.16Å; D274-L278 WeakPolarHBondContact O-CG 3.17Å; D274-L278 PolarHBondContact O-N 3.41Å; E275-L278 PolarHBondContact O-N 3.15Å; L278-R282 WeakPolarHBondContact O-CG 3.4Å; L278-R282 PolarHBondContact O-N 3.37Å; L278-R282 PolarHBondContact O-NE 2.93Å |
| 279 | R | 80.4 | Confident | 80.7 | Confident | 145 Ų | 145 | 117 Ų | 117 | 55% | 0.547 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69 | -41.7 | 170.6 | -70.2 | 172.8 | -162.9 | 177.5 | 8.1 | 110.5 | E275 A276 L277 R282 L283 | E275-R279 WeakPolarHBondContact O-CB 3.31Å; E275-R279 VanDerWaalsContact O-CG 3.26Å; E275-R279 WeakPolarHBondContact O-CG 3.16Å; E275-R279 PolarHBondContact O-N 2.74Å; E275-R279 IonicContact OE2-CZ 3.75Å; E275-R279 IonicContact OE2-NH2 2.79Å; E275-R279 PolarHBondContact OE2-NH2 3.37Å; A276-R279 PolarHBondContact O-N 3.06Å; L277-R279 VanDerWaalsContact C-N 3.3Å; R279-R282 PolarHBondContact O-N 2.78Å; R279-L283 WeakPolarHBondContact O-CG 3.33Å |
| 280 | A | 77.3 | Confident | 80.2 | Confident | 53 Ų | 53 | 121.6 Ų | 121.6 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | A276 L277 R282 L283 | A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 3.01Å; L277-A280 PolarHBondContact O-N 2.81Å; A280-R282 VanDerWaalsContact C-N 3.33Å; A280-R282 PolarHBondContact O-N 3.4Å; A280-L283 PolarHBondContact O-N 2.96Å |
| 281 | R | 74.8 | Confident | 79.6 | Confident | 194 Ų | 194 | 125.1 Ų | 125.1 | 73% | 0.732 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.7 | -27.2 | 175.7 | -83 | -174.6 | 178.6 | 179.7 | 1.1 | 114.1 | L277 L283 | L277-R281 PolarHBondContact O-N 3.29Å; R281-L283 PolarHBondContact O-N 3.43Å |
| 282 | R | 72 | Confident | 78.7 | Confident | 193 Ų | 193 | 125.9 Ų | 125.9 | 73% | 0.728 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -8.6 | 174.7 | -84.1 | -174.8 | -86.1 | 178.8 | -9.9 | 113.5 | L278 R279 A280 | L278-R282 WeakPolarHBondContact O-CG 3.4Å; L278-R282 PolarHBondContact O-N 3.37Å; L278-R282 PolarHBondContact O-NE 2.93Å; R279-R282 PolarHBondContact O-N 2.78Å; A280-R282 VanDerWaalsContact C-N 3.33Å; A280-R282 PolarHBondContact O-N 3.4Å |
| 283 | L | 66.9 | Low | 78 | Confident | 154 Ų | 154 | 124.9 Ų | 124.9 | 81% | 0.806 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 8.9 | -178.5 | -67.6 | 168.5 | 0 | 0 | 0 | 112.9 | R279 A280 R281 | R279-L283 WeakPolarHBondContact O-CG 3.33Å; A280-L283 PolarHBondContact O-N 2.96Å; R281-L283 PolarHBondContact O-N 3.43Å |
| 284 | Q | 50.3 | Low | 77.1 | Confident | 229 Ų | 229 | 125.8 Ų | 125.8 | 100% | 1.07 | 60% | 0.601 | S | S | * | * | trans | -115.2 | 0 | 171.6 | -74.5 | -176.4 | -19.1 | 0 | 0 | 110 |
Retrieved 284 of 284 residues in 208.4 ms
(Link to these results)