| 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 | 46.5 | Very low | 44.4 | Very low | 241 Ų | 241 | 160.1 Ų | 160.1 | 100% | 1.187 | 86% | 0.856 | S | S | * | * | 0 | 115.3 | 0 | -76.1 | -167.8 | 177.8 | 0 | 0 | 108.5 | |||||
| 2 | Q | 41.3 | Very low | 43.9 | Very low | 202 Ų | 202 | 165.9 Ų | 165.9 | 94% | 0.944 | 86% | 0.857 | S | S | * | * | trans | -152.2 | 119.6 | 158 | -104.8 | 160.9 | 28.2 | 0 | 0 | 106.6 | ||||
| 3 | K | 43.8 | Very low | 44.2 | Very low | 199 Ų | 199 | 158.8 Ų | 158.8 | 87% | 0.865 | 85% | 0.849 | S | S | * | * | trans | -86.2 | 136.5 | -175.8 | -70.6 | 176.4 | 177.6 | 175.8 | 0 | 108.9 | ||||
| 4 | M | 40.7 | Very low | 43.1 | Very low | 169 Ų | 169 | 161.6 Ų | 161.6 | 83% | 0.833 | 85% | 0.854 | S | S | * | * | trans | -58.5 | 134.4 | 164.9 | -158.8 | -174.5 | -49.5 | 0 | 0 | 109.6 | V6 | M4-V6 HydrophobicContact CG-CG2 4.3Å; M4-V6 HydrophobicContact SD-CG2 4.29Å | ||
| 5 | V | 49.1 | Very low | 42.5 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 75% | 0.752 | 84% | 0.844 | S | S | * | * | trans | -128.4 | 105.2 | 164 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 6 | V | 48.5 | Very low | 43.3 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 67% | 0.673 | 84% | 0.841 | S | S | * | * | trans | -90.2 | 133.7 | 164.8 | 174.7 | 0 | 0 | 0 | 0 | 106.6 | M4 | M4-V6 HydrophobicContact CG-CG2 4.3Å; M4-V6 HydrophobicContact SD-CG2 4.29Å | ||
| 7 | C | 37.8 | Very low | 42.5 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | -137 | 110.9 | 164.2 | -75.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | E | 45 | Very low | 42.1 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | trans | -81.7 | 147.3 | 164.3 | -75.6 | -172.5 | 119 | 0 | 0 | 111.3 | ||||
| 9 | A | 48.5 | Very low | 41.7 | Very low | 99 Ų | 99 | 154.5 Ų | 154.5 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 173.8 | 147.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 10 | K | 44.8 | Very low | 41.3 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | cis | -171.9 | 119 | -12.6 | -178.5 | 92.3 | 174 | -178.1 | 0 | 103.3 | ||||
| 11 | C | 42.7 | Very low | 41.3 | Very low | 132 Ų | 132 | 158.6 Ų | 158.6 | 89% | 0.892 | 83% | 0.833 | S | S | * | * | trans | -74 | 132.6 | 176.7 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | R | 38.1 | Very low | 41.4 | Very low | 230 Ų | 230 | 156 Ų | 156 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -133.1 | 109.9 | 161.9 | -76.1 | -165.8 | 178.7 | -150.1 | 1.3 | 109.1 | ||||
| 13 | G | 47.5 | Very low | 41.7 | Very low | 73 Ų | 73 | 155.9 Ų | 155.9 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -81.8 | 155 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 14 | H | 29.5 | Very low | 41.5 | Very low | 199 Ų | 199 | 155 Ų | 155 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -150.8 | 129.5 | 154.1 | -124.6 | 99.7 | 0 | 0 | 0 | 109 | ||||
| 15 | A | 33.5 | Very low | 41.7 | Very low | 85 Ų | 85 | 155.4 Ų | 155.4 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | trans | -148 | 166.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 16 | P | 55.1 | Low | 41.2 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | cis | -133.7 | 168.5 | -19 | 32.4 | -13.1 | 0 | 0 | 0 | 113.7 | ||||
| 17 | H | 29.4 | Very low | 41 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -156.1 | 114.5 | 142.5 | -165 | -69.9 | 0 | 0 | 0 | 111.7 | ||||
| 18 | V | 36.9 | Very low | 41.7 | Very low | 104 Ų | 104 | 160.6 Ų | 160.6 | 63% | 0.63 | 83% | 0.825 | S | S | * | * | trans | -23.3 | 139.2 | 164 | -148.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 19 | E | 32.9 | Very low | 42 | Very low | 182 Ų | 182 | 159.8 Ų | 159.8 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | -150.8 | 151 | 58.3 | -86.8 | 175.2 | 151.6 | 0 | 0 | 115.8 | |||||
| 20 | N | 35 | Very low | 41.9 | Very low | 147 Ų | 147 | 157.8 Ų | 157.8 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -32.3 | 136.2 | -179.2 | -50.3 | -69.3 | 0 | 0 | 0 | 117.8 | ||||
| 21 | R | 41.7 | Very low | 41.9 | Very low | 248 Ų | 248 | 155.2 Ų | 155.2 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | 180 | 121.3 | 113.8 | -167.6 | 161.3 | 172.9 | 164 | -4.3 | 110 | |||||
| 22 | E | 47.4 | Very low | 41.9 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -65 | 126.3 | -172.6 | -55.7 | 159.6 | 140.2 | 0 | 0 | 111.7 | ||||
| 23 | E | 47.7 | Very low | 42.7 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -144.6 | 118.5 | 144.2 | -69.4 | -164.6 | 171.9 | 0 | 0 | 109.1 | ||||
| 24 | E | 40.6 | Very low | 42.9 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -76 | 139.3 | -170.7 | -176.1 | -176.1 | 159.7 | 0 | 0 | 112.3 | ||||
| 25 | E | 44.8 | Very low | 43.8 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -85 | 125 | 174.3 | -179.5 | -175.9 | -164.5 | 0 | 0 | 110.1 | ||||
| 26 | T | 37.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -146 | 116.7 | 147.3 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 27 | A | 43.4 | Very low | 44.8 | Very low | 85 Ų | 85 | 155.2 Ų | 155.2 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | trans | 53.8 | 98.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | I29 | A27-I29 PolarHBondContact O-N 3.42Š| ||
| 28 | R | 53.4 | Low | 45.6 | Very low | 253 Ų | 253 | 154.2 Ų | 154.2 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | -29.3 | 116.3 | 153.3 | -53.5 | 177 | -170.4 | -167.4 | 1.4 | 114.8 | ||||
| 29 | I | 50.3 | Low | 45.8 | Very low | 168 Ų | 168 | 156.5 Ų | 156.5 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | trans | -109.2 | 113.9 | 153.6 | -60.7 | 172.6 | 0 | 0 | 0 | 106 | A27 | A27-I29 PolarHBondContact O-N 3.42Š| ||
| 30 | G | 46.3 | Very low | 46.4 | Very low | 58 Ų | 58 | 158.1 Ų | 158.1 | 60% | 0.598 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 156.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G32 | G30-G32 PolarHBondContact O-N 2.82Š| ||
| 31 | P | 46.3 | Very low | 46.7 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -77.1 | 100.9 | -175.8 | 31 | -30.9 | 0 | 0 | 0 | 109.9 | V33 | P31-V33 PolarHBondContact O-N 3.06Š| ||
| 32 | G | 42.8 | Very low | 46.6 | Very low | 77 Ų | 77 | 150.3 Ų | 150.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -71.9 | 98.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | G30 M34 | G30-G32 PolarHBondContact O-N 2.82Å; G32-M34 PolarHBondContact O-N 2.74Å | ||
| 33 | V | 54.1 | Low | 46.5 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 104.1 | 169.4 | 173.5 | 0 | 0 | 0 | 0 | 107.9 | P31 E35 | P31-V33 PolarHBondContact O-N 3.06Å; V33-E35 HydrophobicContact CG1-CB 4.37Å | ||
| 34 | M | 51 | Low | 46.6 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | -106.8 | 90.1 | 163.7 | -154.6 | -171.3 | -50.7 | 0 | 0 | 107 | G32 S36 | G32-M34 PolarHBondContact O-N 2.74Å; M34-S36 PolarHBondContact O-N 3.36Å; M34-S36 VanDerWaalsContact O-N 3.11Å | ||
| 35 | E | 50.2 | Low | 46.8 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -75.9 | 91.6 | 172.3 | -163 | 174.3 | -153.6 | 0 | 0 | 107.5 | V33 | V33-E35 HydrophobicContact CG1-CB 4.37Š| ||
| 36 | S | 52.3 | Low | 46.9 | Very low | 89 Ų | 89 | 143 Ų | 143 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 126.2 | 178.9 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | M34 E38 | M34-S36 PolarHBondContact O-N 3.36Å; M34-S36 VanDerWaalsContact O-N 3.11Å; S36-E38 VanDerWaalsContact C-N 3.25Å; S36-E38 PolarHBondContact O-N 2.75Å | ||
| 37 | K | 56.4 | Low | 47.5 | Very low | 205 Ų | 205 | 143 Ų | 143 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -57.1 | 66.6 | 179.1 | -70.7 | 172.8 | 168.8 | 171.5 | 0 | 114.6 | ||
| 38 | E | 45.6 | Very low | 47.6 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -109.7 | -14.1 | 174 | -160.9 | 165.2 | -179.7 | 0 | 0 | 112.9 | S36 R40 | S36-E38 VanDerWaalsContact C-N 3.25Å; S36-E38 PolarHBondContact O-N 2.75Å; E38-R40 PolarHBondContact O-N 2.89Å | ||
| 39 | E | 42.1 | Very low | 47 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -80.3 | -14.7 | -178 | -159.8 | -177.7 | 165.4 | 0 | 0 | 114.3 | A41 | E39-A41 PolarHBondContact O-N 2.67Š|
| 40 | R | 44.4 | Very low | 46.9 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -81.6 | -10 | -177.2 | -88.1 | -172.9 | 178.2 | -177.4 | 0.4 | 115.2 | E38 | E38-R40 PolarHBondContact O-N 2.89Š|
| 41 | A | 41.5 | Very low | 46.7 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -87.5 | -16.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E39 | E39-A41 PolarHBondContact O-N 2.67Š|
| 42 | L | 40.3 | Very low | 46.3 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -91.5 | -14.1 | -174.4 | -63.9 | 174.6 | 0 | 0 | 0 | 114 | ||
| 43 | N | 44.8 | Very low | 46.2 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -1.2 | -172.3 | -68 | -29.4 | 0 | 0 | 0 | 115.2 | ||
| 44 | N | 49.5 | Very low | 45.5 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 13.1 | -173.8 | -72.4 | -39.5 | 0 | 0 | 0 | 115.1 | ||
| 45 | L | 44.8 | Very low | 44.8 | Very low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -119.8 | 12.7 | -174.4 | -116.8 | 148.2 | 0 | 0 | 0 | 115 | ||
| 46 | N | 48 | Very low | 44.6 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -119.1 | 66.6 | 176.3 | -170 | 23.3 | 0 | 0 | 0 | 111.8 | ||||
| 47 | V | 50.8 | Low | 44.1 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | -140.6 | 127.8 | 163.2 | 165.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 48 | E | 43.8 | Very low | 43.2 | Very low | 180 Ų | 180 | 152.3 Ų | 152.3 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 73 | 95.2 | 160.5 | -77.4 | 170.2 | 160.7 | 0 | 0 | 119.7 | ||||
| 49 | N | 41.7 | Very low | 42.8 | Very low | 150 Ų | 150 | 151.3 Ų | 151.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | -145.7 | 82.5 | 117.8 | -171.1 | 1.4 | 0 | 0 | 0 | 110.6 | |||||
| 50 | V | 48.3 | Very low | 42.8 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -109.5 | 113.6 | 152.7 | 170.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 51 | N | 42.6 | Very low | 42.7 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | -178.7 | 135.2 | 159.3 | -85.7 | -32.7 | 0 | 0 | 0 | 106 | ||||
| 52 | Q | 37.1 | Very low | 42.6 | Very low | 177 Ų | 177 | 154.2 Ų | 154.2 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | cis | -170.7 | 141.3 | -4.4 | -160.9 | 166.1 | 17.2 | 0 | 0 | 104.7 | ||||
| 53 | E | 42 | Very low | 42.5 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | -71.3 | 163.4 | 172.1 | -152.2 | 177.2 | -166.8 | 0 | 0 | 110.9 | ||||
| 54 | N | 39.2 | Very low | 42.2 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | 88.9 | 123.8 | 161.1 | -59.3 | -36 | 0 | 0 | 0 | 119.8 | ||||
| 55 | D | 35.7 | Very low | 41.6 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | -170 | 131.5 | 94.6 | -95.2 | -22.8 | 0 | 0 | 0 | 112.6 | |||||
| 56 | E | 45.8 | Very low | 41.7 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -55.6 | 150.3 | 164.5 | -69 | 168.2 | 128.2 | 0 | 0 | 112 | ||||
| 57 | K | 42.4 | Very low | 41 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -174.5 | 106.5 | 136 | -98.9 | 152.7 | -170.6 | 177.6 | 0 | 109.7 | ||||
| 58 | D | 35.9 | Very low | 40.6 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 92.2 | 135.7 | 74.5 | -127.6 | -14.7 | 0 | 0 | 0 | 113.4 | |||||
| 59 | E | 38.9 | Very low | 40.7 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | 86.3 | 117 | 151.7 | -60.9 | -159.5 | 156.8 | 0 | 0 | 123.4 | ||||
| 60 | K | 40.7 | Very low | 41.1 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | trans | 103.2 | 76.9 | 134.8 | -72.8 | 161.6 | -175.3 | 157.2 | 0 | 118.7 | ||||
| 61 | E | 42.3 | Very low | 41.1 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -49.9 | 124.4 | 133.6 | -168.3 | 173.1 | -160.8 | 0 | 0 | 110.5 | V63 | E61-V63 HydrophobicContact CG-CG2 4.38Š| ||
| 62 | Q | 40 | Very low | 41.2 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -113.7 | 121.7 | 161.8 | -78.5 | -159.7 | 22.7 | 0 | 0 | 109.5 | ||||
| 63 | V | 37.6 | Very low | 41.9 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | -92.4 | 141.3 | 176.6 | 161.3 | 0 | 0 | 0 | 0 | 110.1 | E61 | E61-V63 HydrophobicContact CG-CG2 4.38Š| ||
| 64 | A | 39.3 | Very low | 42 | Very low | 67 Ų | 67 | 145.4 Ų | 145.4 | 55% | 0.554 | 78% | 0.777 | S | S | * | * | trans | 67.9 | 127 | 152 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 65 | N | 35.8 | Very low | 42.2 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | -176.4 | 163.5 | 83.2 | -95.4 | -64 | 0 | 0 | 0 | 113 | |||||
| 66 | K | 48 | Very low | 42.7 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 154.4 | -166.4 | -51.7 | -170.2 | 175.3 | -171.9 | 0 | 114.4 | ||||
| 67 | G | 32.7 | Very low | 43 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 162.3 | 91.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P69 | G67-P69 WeakPolarHBondContact O-CD 3.49Š| ||
| 68 | E | 42.8 | Very low | 43.1 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -77.1 | 136.5 | 166 | -175.8 | 175.8 | -169.7 | 0 | 0 | 109.3 | ||||
| 69 | P | 45.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -128.9 | 127.3 | 145.1 | 32.5 | -18.6 | 0 | 0 | 0 | 111.3 | G67 A71 | G67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-A71 PolarHBondContact O-N 2.93Å | ||
| 70 | L | 51.2 | Low | 44.6 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -53.9 | 122.9 | 162.7 | -80.6 | 82.9 | 0 | 0 | 0 | 110.5 | ||||
| 71 | A | 47.1 | Very low | 45.4 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -174.8 | 123.8 | 139.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P69 | P69-A71 PolarHBondContact O-N 2.93Š| ||
| 72 | L | 45 | Very low | 46.1 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -66.1 | 158.1 | 175.5 | -109.6 | 81.1 | 0 | 0 | 0 | 112.5 | ||||
| 73 | P | 51.1 | Low | 47.1 | Very low | 99 Ų | 99 | 141 Ų | 141 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -101.2 | 148.5 | -159.5 | 37.8 | -31.6 | 0 | 0 | 0 | 114 | ||||
| 74 | L | 45 | Very low | 47.8 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | -141.1 | 104.7 | 157.1 | -124.3 | 101.3 | 0 | 0 | 0 | 110.7 | ||||
| 75 | N | 43.8 | Very low | 48.8 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 128.8 | -175.5 | -76.1 | -59.6 | 0 | 0 | 0 | 114.3 | ||||
| 76 | V | 46 | Very low | 49.9 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -144.1 | 109.8 | 145.4 | 173.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 77 | G | 51.7 | Low | 50.7 | Low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 94.8 | 41.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 78 | E | 45.2 | Very low | 52.3 | Low | 182 Ų | 182 | 151.6 Ų | 151.6 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -90 | 115 | 160.9 | -75.1 | -177.1 | -179.7 | 0 | 0 | 110.4 | C80 | E78-C80 VanDerWaalsContact C-N 3.33Å; E78-C80 PolarHBondContact O-N 2.76Å; E78-C80 PolarHBondContact O-SG 3.02Å | ||
| 79 | Y | 46.4 | Very low | 53.1 | Low | 218 Ų | 218 | 153.1 Ų | 153.1 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -53.5 | 93.2 | 169.1 | -175.4 | -97.6 | 0 | 0 | 0 | 109.6 | V81 | Y79-V81 HydrophobicContact CD1-CG2 4.25Å; Y79-V81 HydrophobicContact CE1-CG2 4.24Å; Y79-V81 PolarHBondContact O-N 2.7Å | ||
| 80 | C | 59.1 | Low | 54.2 | Low | 112 Ų | 112 | 158.3 Ų | 158.3 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -74.8 | 97.7 | 176.4 | -69.9 | 0 | 0 | 0 | 0 | 108.5 | E78 | E78-C80 VanDerWaalsContact C-N 3.33Å; E78-C80 PolarHBondContact O-N 2.76Å; E78-C80 PolarHBondContact O-SG 3.02Å | ||
| 81 | V | 57.6 | Low | 55.3 | Low | 99 Ų | 99 | 157.1 Ų | 157.1 | 60% | 0.6 | 80% | 0.803 | S | S | * | * | trans | -48.9 | 127.7 | 160.6 | -179.7 | 0 | 0 | 0 | 0 | 107.1 | Y79 R83 | Y79-V81 HydrophobicContact CD1-CG2 4.25Å; Y79-V81 HydrophobicContact CE1-CG2 4.24Å; Y79-V81 PolarHBondContact O-N 2.7Å; V81-R83 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3Å | ||
| 82 | P | 58.3 | Low | 56.9 | Low | 119 Ų | 119 | 162.4 Ų | 162.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -63.8 | 98.5 | 173.8 | -12.1 | 25.5 | 0 | 0 | 0 | 106.4 | G84 | P82-G84 PolarHBondContact O-N 3.21Š| ||
| 83 | R | 60.3 | Low | 58.6 | Low | 241 Ų | 241 | 161.7 Ų | 161.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -62.7 | 95.5 | 168.3 | -89.9 | -173.1 | 170.2 | -152.7 | -0.8 | 105.4 | V81 N85 | V81-R83 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3Å; R83-N85 PolarHBondContact O-N 3.05Å | ||
| 84 | G | 53 | Low | 60 | Low | 64 Ų | 64 | 160.3 Ų | 160.3 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -47 | 107.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | P82 R86 | P82-G84 PolarHBondContact O-N 3.21Å; G84-R86 PolarHBondContact O-N 3.13Å | ||
| 85 | N | 58.4 | Low | 61.9 | Low | 115 Ų | 115 | 155.5 Ų | 155.5 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | -58.3 | 105 | 167.7 | 37.6 | 9.5 | 0 | 0 | 0 | 106.3 | R83 R87 | R83-N85 PolarHBondContact O-N 3.05Å; N85-R87 HydrophobicContact CB-CG 4.03Å; N85-R87 PolarHBondContact O-N 3.14Å | ||
| 86 | R | 60.4 | Low | 63.8 | Low | 242 Ų | 242 | 154.6 Ų | 154.6 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | -60 | 62.8 | 157.8 | -86 | -178.5 | 169.6 | 175.9 | -3.8 | 108 | G84 R88 | G84-R86 PolarHBondContact O-N 3.13Å; R86-R88 PolarHBondContact O-N 3.08Å | ||
| 87 | R | 64.3 | Low | 65.8 | Low | 199 Ų | 199 | 154.3 Ų | 154.3 | 75% | 0.751 | 75% | 0.747 | S | S | * | * | trans | -63.4 | 92 | 164.7 | -70.6 | -170.6 | 176.9 | -175.9 | -0.5 | 104 | N85 F89 | N85-R87 HydrophobicContact CB-CG 4.03Å; N85-R87 PolarHBondContact O-N 3.14Å; R87-F89 PolarHBondContact O-N 2.91Å | ||
| 88 | R | 66 | Low | 67.3 | Low | 211 Ų | 211 | 156.9 Ų | 156.9 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -46.3 | 118.7 | 164.1 | -62.8 | -177.9 | -176.9 | -171.8 | 0.3 | 104.5 | R86 R90 | R86-R88 PolarHBondContact O-N 3.08Å; R88-R90 PolarHBondContact O-N 2.98Å | ||
| 89 | F | 59.3 | Low | 69.3 | Low | 207 Ų | 207 | 155 Ų | 155 | 91% | 0.908 | 72% | 0.719 | S | S | * | * | trans | -59.6 | 88.2 | 175.5 | -75 | -89.6 | 0 | 0 | 0 | 107.4 | R87 V91 | R87-F89 PolarHBondContact O-N 2.91Å; F89-V91 VanDerWaalsContact C-N 3.27Å; F89-V91 PolarHBondContact O-N 2.91Å | ||
| 90 | R | 69.9 | Low | 71.1 | Confident | 224 Ų | 224 | 152.4 Ų | 152.4 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | trans | -75.3 | 93.4 | 169.2 | -66.9 | -172.4 | -174.5 | -139 | 3.6 | 104.6 | R88 R92 | R88-R90 PolarHBondContact O-N 2.98Å; R90-R92 PolarHBondContact O-N 3.39Å | ||
| 91 | V | 73.3 | Confident | 72.4 | Confident | 129 Ų | 129 | 150.3 Ų | 150.3 | 78% | 0.782 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 116.6 | 167.6 | 176.2 | 0 | 0 | 0 | 0 | 105.9 | F89 Q93 | F89-V91 VanDerWaalsContact C-N 3.27Å; F89-V91 PolarHBondContact O-N 2.91Å; V91-Q93 PolarHBondContact O-N 3.45Å |
| 92 | R | 79.9 | Confident | 73.5 | Confident | 211 Ų | 211 | 148.7 Ų | 148.7 | 80% | 0.796 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124.7 | 176.1 | -177.8 | 177.5 | 178.8 | 178.5 | 0.3 | 106.6 | R90 | R90-R92 PolarHBondContact O-N 3.39Š|
| 93 | Q | 80.7 | Confident | 74.5 | Confident | 159 Ų | 159 | 149.6 Ų | 149.6 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 133.7 | 174.8 | -73 | -162.6 | -5.2 | 0 | 0 | 108.9 | V91 | V91-Q93 PolarHBondContact O-N 3.45Š|
| 94 | P | 81 | Confident | 75.3 | Confident | 70 Ų | 70 | 142 Ų | 142 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 144.8 | 176.5 | -19.3 | 28.5 | 0 | 0 | 0 | 110.4 | Y98 R99 | P94-Y98 HydrophobicContact CB-CD1 3.35Å; P94-Y98 HydrophobicContact CB-CE1 3.96Å; P94-Y98 HydrophobicContact CB-CG 4.15Å; P94-Y98 HydrophobicContact CG-CD1 4.12Å; P94-Y98 HydrophobicContact CG-CE1 4.27Å; P94-R99 HydrophobicContact CB-CG 4.5Å |
| 95 | T | 84.8 | Confident | 76.2 | Confident | 82 Ų | 82 | 146.9 Ų | 146.9 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 151.5 | 179 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | Q97 Y98 R99 | T95-Q97 PolarHBondContact O-N 2.96Å; T95-Q97 VanDerWaalsContact O-N 3.14Å; T95-Y98 WeakPolarHBondContact O-CB 3.49Å; T95-Y98 PolarHBondContact O-N 3.17Å; T95-R99 PolarHBondContact O-N 3.05Å; T95-R99 VanDerWaalsContact O-N 3.13Å |
| 96 | L | 85.1 | Confident | 76.6 | Confident | 135 Ų | 135 | 147.5 Ų | 147.5 | 71% | 0.707 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -53.1 | -36.1 | 177.1 | -70.2 | 173 | 0 | 0 | 0 | 111.9 | Y98 R99 W100 | L96-Y98 PolarHBondContact O-N 3.22Å; L96-R99 PolarHBondContact O-N 3.15Å; L96-W100 WeakPolarHBondContact O-CB 3.47Å; L96-W100 PolarHBondContact O-N 3.46Å |
| 97 | Q | 86.5 | Confident | 76.8 | Confident | 146 Ų | 146 | 138.1 Ų | 138.1 | 68% | 0.682 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.6 | -43.4 | 175.5 | -165.1 | 66.1 | 26 | 0 | 0 | 113 | T95 W100 D101 | T95-Q97 PolarHBondContact O-N 2.96Å; T95-Q97 VanDerWaalsContact O-N 3.14Å; Q97-W100 PolarHBondContact O-N 3.26Å; Q97-D101 PolarHBondContact O-N 3.4Å |
| 98 | Y | 84.1 | Confident | 76.9 | Confident | 129 Ų | 129 | 134.3 Ų | 134.3 | 51% | 0.506 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.7 | -39.1 | 178.7 | 178 | -97 | 0 | 0 | 0 | 111.5 | P94 T95 L96 W100 D101 I102 | P94-Y98 HydrophobicContact CB-CD1 3.35Å; P94-Y98 HydrophobicContact CB-CE1 3.96Å; P94-Y98 HydrophobicContact CB-CG 4.15Å; P94-Y98 HydrophobicContact CG-CD1 4.12Å; P94-Y98 HydrophobicContact CG-CE1 4.27Å; T95-Y98 WeakPolarHBondContact O-CB 3.49Å; T95-Y98 PolarHBondContact O-N 3.17Å; L96-Y98 PolarHBondContact O-N 3.22Å; Y98-W100 VanDerWaalsContact C-N 3.32Å; Y98-W100 PolarHBondContact O-N 3.49Å; Y98-D101 PolarHBondContact O-N 2.93Å; Y98-I102 HydrophobicContact CD1-CD1 3.84Å; Y98-I102 HydrophobicContact CE1-CD1 3.27Å; Y98-I102 HydrophobicContact CE1-CG1 4.33Å; Y98-I102 HydrophobicContact CE2-CD1 4.23Å; Y98-I102 WeakPolarHBondContact O-CG1 3.43Å; Y98-I102 PolarHBondContact O-N 3.03Å; Y98-I102 VanDerWaalsContact O-N 3.15Å |
| 99 | R | 86 | Confident | 76.9 | Confident | 143 Ų | 143 | 128.1 Ų | 128.1 | 54% | 0.54 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.4 | -41.6 | 174.5 | -67.3 | 175.6 | 61.4 | -162 | -3 | 111.4 | P94 T95 L96 M103 | P94-R99 HydrophobicContact CB-CG 4.5Å; T95-R99 PolarHBondContact O-N 3.05Å; T95-R99 VanDerWaalsContact O-N 3.13Å; L96-R99 PolarHBondContact O-N 3.15Å; R99-M103 VanDerWaalsContact O-CG 3.32Å; R99-M103 WeakPolarHBondContact O-CG 3.27Å; R99-M103 PolarHBondContact O-N 2.75Å |
| 100 | W | 85.8 | Confident | 77 | Confident | 164 Ų | 164 | 125.8 Ų | 125.8 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.8 | -51.9 | 176 | -174.5 | -92.1 | 0 | 0 | 0 | 111.5 | L96 Q97 Y98 I102 M103 H104 | L96-W100 WeakPolarHBondContact O-CB 3.47Å; L96-W100 PolarHBondContact O-N 3.46Å; Q97-W100 PolarHBondContact O-N 3.26Å; Y98-W100 VanDerWaalsContact C-N 3.32Å; Y98-W100 PolarHBondContact O-N 3.49Å; W100-I102 VanDerWaalsContact C-N 3.27Å; W100-I102 PolarHBondContact O-N 3.25Å; W100-M103 PolarHBondContact O-N 3.22Å; W100-H104 AromaticContact CD1-CD2 3.51Å; W100-H104 AromaticContact CD2-CD2 3.43Å; W100-H104 VanDerWaalsContact CD2-CD2 3.43Å; W100-H104 AromaticContact CD2-NE2 3.37Å; W100-H104 AromaticContact CE2-CD2 3.23Å; W100-H104 AromaticContact CE2-CE1 3.96Å; W100-H104 AromaticContact CE2-NE2 3.04Å; W100-H104 AromaticContact CE3-NE2 3.64Å; W100-H104 AromaticContact CG-CD2 3.65Å; W100-H104 AromaticContact CH2-NE2 3.35Å; W100-H104 WeakPolarHBondContact CH2-NE2 3.32Å; W100-H104 AromaticContact CZ2-CD2 3.76Å; W100-H104 AromaticContact CZ2-CE1 3.67Å; W100-H104 AromaticContact CZ2-NE2 3.06Å; W100-H104 WeakPolarHBondContact CZ2-NE2 3.46Å; W100-H104 AromaticContact CZ3-NE2 3.63Å; W100-H104 AromaticContact NE1-CD2 3.25Å; W100-H104 PolarHBondContact NE1-CD2 2.75Å; W100-H104 AromaticContact NE1-NE2 3.58Å; W100-H104 PolarHBondContact O-CD2 3.46Å; W100-H104 PolarHBondContact O-N 3.2Å |
| 101 | D | 85.6 | Confident | 76.7 | Confident | 68 Ų | 68 | 117.8 Ų | 117.8 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57 | -38.7 | -179.4 | -170.8 | 51.2 | 0 | 0 | 0 | 112.6 | Q97 Y98 R105 | Q97-D101 PolarHBondContact O-N 3.4Å; Y98-D101 PolarHBondContact O-N 2.93Å; D101-R105 VanDerWaalsContact CG-NE 3.32Å; D101-R105 VanDerWaalsContact O-CB 3.23Å; D101-R105 WeakPolarHBondContact O-CB 3.23Å; D101-R105 VanDerWaalsContact O-CG 3.27Å; D101-R105 WeakPolarHBondContact O-CG 3.44Å; D101-R105 PolarHBondContact O-N 3.29Å; D101-R105 WeakPolarHBondContact OD1-CD 3.02Å; D101-R105 IonicContact OD1-CZ 3.91Å; D101-R105 IonicContact OD1-NE 2.91Å; D101-R105 PolarHBondContact OD1-NE 2.64Å; D101-R105 IonicContact OD2-CZ 3.91Å; D101-R105 IonicContact OD2-NE 3.08Å; D101-R105 PolarHBondContact OD2-NE 3.35Å; D101-R105 VanDerWaalsContact OD2-NE 3.08Å |
| 102 | I | 81.9 | Confident | 76.2 | Confident | 64 Ų | 64 | 120 Ų | 120 | 33% | 0.328 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.3 | -47.2 | 174.7 | -71.1 | 178.3 | 0 | 0 | 0 | 111.9 | Y98 W100 H104 L106 | Y98-I102 HydrophobicContact CD1-CD1 3.84Å; Y98-I102 HydrophobicContact CE1-CD1 3.27Å; Y98-I102 HydrophobicContact CE1-CG1 4.33Å; Y98-I102 HydrophobicContact CE2-CD1 4.23Å; Y98-I102 WeakPolarHBondContact O-CG1 3.43Å; Y98-I102 PolarHBondContact O-N 3.03Å; Y98-I102 VanDerWaalsContact O-N 3.15Å; W100-I102 VanDerWaalsContact C-N 3.27Å; W100-I102 PolarHBondContact O-N 3.25Å; I102-H104 VanDerWaalsContact C-N 3.29Å; I102-H104 PolarHBondContact O-N 3.18Å; I102-L106 HydrophobicContact CG2-CD1 4.24Å; I102-L106 WeakPolarHBondContact O-CD1 3.3Å; I102-L106 PolarHBondContact O-N 3.47Å; I102-L106 VanDerWaalsContact O-N 3.17Å |
| 103 | M | 78.7 | Confident | 75.3 | Confident | 139 Ų | 139 | 113.9 Ų | 113.9 | 69% | 0.685 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -34.7 | -177.3 | -66.8 | -58.4 | -62.7 | 0 | 0 | 112 | R99 W100 | R99-M103 VanDerWaalsContact O-CG 3.32Å; R99-M103 WeakPolarHBondContact O-CG 3.27Å; R99-M103 PolarHBondContact O-N 2.75Å; W100-M103 PolarHBondContact O-N 3.22Å |
| 104 | H | 76 | Confident | 74.5 | Confident | 80 Ų | 80 | 114.6 Ų | 114.6 | 37% | 0.37 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -83.7 | -34.4 | -179.1 | -72.9 | -75.2 | 0 | 0 | 0 | 113.2 | W100 I102 | W100-H104 AromaticContact CD1-CD2 3.51Å; W100-H104 AromaticContact CD2-CD2 3.43Å; W100-H104 VanDerWaalsContact CD2-CD2 3.43Å; W100-H104 AromaticContact CD2-NE2 3.37Å; W100-H104 AromaticContact CE2-CD2 3.23Å; W100-H104 AromaticContact CE2-CE1 3.96Å; W100-H104 AromaticContact CE2-NE2 3.04Å; W100-H104 AromaticContact CE3-NE2 3.64Å; W100-H104 AromaticContact CG-CD2 3.65Å; W100-H104 AromaticContact CH2-NE2 3.35Å; W100-H104 WeakPolarHBondContact CH2-NE2 3.32Å; W100-H104 AromaticContact CZ2-CD2 3.76Å; W100-H104 AromaticContact CZ2-CE1 3.67Å; W100-H104 AromaticContact CZ2-NE2 3.06Å; W100-H104 WeakPolarHBondContact CZ2-NE2 3.46Å; W100-H104 AromaticContact CZ3-NE2 3.63Å; W100-H104 AromaticContact NE1-CD2 3.25Å; W100-H104 PolarHBondContact NE1-CD2 2.75Å; W100-H104 AromaticContact NE1-NE2 3.58Å; W100-H104 PolarHBondContact O-CD2 3.46Å; W100-H104 PolarHBondContact O-N 3.2Å; I102-H104 VanDerWaalsContact C-N 3.29Å; I102-H104 PolarHBondContact O-N 3.18Å |
| 105 | R | 72.6 | Confident | 73.8 | Confident | 167 Ų | 167 | 118 Ų | 118 | 63% | 0.63 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.5 | -29.1 | 175.7 | -76.5 | 178.5 | 178 | -112.4 | -0.4 | 114 | D101 P109 | D101-R105 VanDerWaalsContact CG-NE 3.32Å; D101-R105 VanDerWaalsContact O-CB 3.23Å; D101-R105 WeakPolarHBondContact O-CB 3.23Å; D101-R105 VanDerWaalsContact O-CG 3.27Å; D101-R105 WeakPolarHBondContact O-CG 3.44Å; D101-R105 PolarHBondContact O-N 3.29Å; D101-R105 WeakPolarHBondContact OD1-CD 3.02Å; D101-R105 IonicContact OD1-CZ 3.91Å; D101-R105 IonicContact OD1-NE 2.91Å; D101-R105 PolarHBondContact OD1-NE 2.64Å; D101-R105 IonicContact OD2-CZ 3.91Å; D101-R105 IonicContact OD2-NE 3.08Å; D101-R105 PolarHBondContact OD2-NE 3.35Å; D101-R105 VanDerWaalsContact OD2-NE 3.08Å; R105-P109 WeakPolarHBondContact O-CD 3.35Å; R105-P109 VanDerWaalsContact O-CG 3.3Å; R105-P109 WeakPolarHBondContact O-CG 3.06Å |
| 106 | L | 66.6 | Low | 73.1 | Confident | 129 Ų | 129 | 120.4 Ų | 120.4 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -79.2 | -25.7 | 179 | -97.8 | 74.9 | 0 | 0 | 0 | 113.2 | I102 | I102-L106 HydrophobicContact CG2-CD1 4.24Å; I102-L106 WeakPolarHBondContact O-CD1 3.3Å; I102-L106 PolarHBondContact O-N 3.47Å; I102-L106 VanDerWaalsContact O-N 3.17Å |
| 107 | G | 65.8 | Low | 72.7 | Confident | 45 Ų | 45 | 117.5 Ų | 117.5 | 46% | 0.464 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -81.1 | -32.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A111 | G107-A111 WeakPolarHBondContact O-CB 3.39Å |
| 108 | E | 64.5 | Low | 72.5 | Confident | 119 Ų | 119 | 115 Ų | 115 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -80.4 | -37.3 | -171 | -67.7 | -179.1 | 174.7 | 0 | 0 | 115.7 | ||
| 109 | P | 66.4 | Low | 72.5 | Confident | 80 Ų | 80 | 115.3 Ų | 115.3 | 52% | 0.519 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.4 | -37.9 | -175.8 | -20.1 | 32.5 | 0 | 0 | 0 | 113.4 | R105 V113 | R105-P109 WeakPolarHBondContact O-CD 3.35Å; R105-P109 VanDerWaalsContact O-CG 3.3Å; R105-P109 WeakPolarHBondContact O-CG 3.06Å; P109-V113 WeakPolarHBondContact O-CG2 3.41Å |
| 110 | Q | 62.6 | Low | 72.7 | Confident | 158 Ų | 158 | 115.1 Ų | 115.1 | 74% | 0.738 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -78.1 | -31.6 | -176.2 | -166.4 | 175 | 30.1 | 0 | 0 | 112.3 | R114 | Q110-R114 WeakPolarHBondContact O-CB 3.28Å; Q110-R114 PolarHBondContact O-N 3.45Å |
| 111 | A | 63.4 | Low | 72.9 | Confident | 56 Ų | 56 | 111.6 Ų | 111.6 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.9 | -44.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G107 R114 E115 | G107-A111 WeakPolarHBondContact O-CB 3.39Å; A111-R114 PolarHBondContact O-N 3.29Å; A111-E115 PolarHBondContact O-N 3.34Å |
| 112 | R | 62.3 | Low | 73.2 | Confident | 175 Ų | 175 | 110.3 Ų | 110.3 | 66% | 0.66 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 179.7 | -68.4 | -176.7 | 179.6 | -126.7 | 2.1 | 112.7 | R114 E115 E116 | R112-R114 PolarHBondContact O-N 3.26Å; R112-E115 PolarHBondContact O-N 3.25Å; R112-E116 PolarHBondContact O-N 3.08Å |
| 113 | V | 61.6 | Low | 73.8 | Confident | 84 Ų | 84 | 111.6 Ų | 111.6 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -28.4 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | P109 N117 | P109-V113 WeakPolarHBondContact O-CG2 3.41Å; V113-N117 WeakPolarHBondContact CG1-ND2 3.39Å; V113-N117 VanDerWaalsContact O-CB 3.28Å; V113-N117 WeakPolarHBondContact O-CB 3.36Å; V113-N117 PolarHBondContact O-N 3.07Å; V113-N117 PolarHBondContact O-ND2 3.11Å |
| 114 | R | 63.9 | Low | 74.6 | Confident | 173 Ų | 173 | 109.4 Ų | 109.4 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.7 | -41.5 | 177.6 | -164.1 | -176.6 | 171.1 | -129 | -1.8 | 111.7 | Q110 A111 R112 M118 | Q110-R114 WeakPolarHBondContact O-CB 3.28Å; Q110-R114 PolarHBondContact O-N 3.45Å; A111-R114 PolarHBondContact O-N 3.29Å; R112-R114 PolarHBondContact O-N 3.26Å; R114-M118 HydrophobicContact CG-CE 3.95Å; R114-M118 HydrophobicContact CG-SD 4.36Å; R114-M118 WeakPolarHBondContact O-CE 3.16Å; R114-M118 VanDerWaalsContact O-CG 3.26Å; R114-M118 WeakPolarHBondContact O-CG 3.48Å; R114-M118 PolarHBondContact O-N 2.97Å; R114-M118 VanDerWaalsContact O-N 3.15Å |
| 115 | E | 66.2 | Low | 75.5 | Confident | 142 Ų | 142 | 109.3 Ų | 109.3 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -53.3 | -177.6 | -165.3 | 113.4 | -134 | 0 | 0 | 111.9 | A111 R112 N117 M118 E119 | A111-E115 PolarHBondContact O-N 3.34Å; R112-E115 PolarHBondContact O-N 3.25Å; E115-N117 PolarHBondContact O-N 3.19Å; E115-M118 PolarHBondContact O-N 3.43Å; E115-M118 VanDerWaalsContact O-N 3.08Å; E115-E119 PolarHBondContact O-N 3.33Å |
| 116 | E | 68.6 | Low | 76.6 | Confident | 133 Ų | 133 | 109.1 Ų | 109.1 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.5 | -34.1 | -179.4 | -66.4 | 172.1 | -170.2 | 0 | 0 | 112.1 | R112 R120 | R112-E116 PolarHBondContact O-N 3.08Å; E116-R120 PolarHBondContact O-N 3.15Å |
| 117 | N | 78.6 | Confident | 78.1 | Confident | 73 Ų | 73 | 107.6 Ų | 107.6 | 39% | 0.39 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.5 | -33.9 | 176.6 | -78.6 | -35.5 | 0 | 0 | 0 | 113 | V113 E115 I121 | V113-N117 WeakPolarHBondContact CG1-ND2 3.39Å; V113-N117 VanDerWaalsContact O-CB 3.28Å; V113-N117 WeakPolarHBondContact O-CB 3.36Å; V113-N117 PolarHBondContact O-N 3.07Å; V113-N117 PolarHBondContact O-ND2 3.11Å; E115-N117 PolarHBondContact O-N 3.19Å; N117-I121 WeakPolarHBondContact O-CB 3.33Å; N117-I121 WeakPolarHBondContact O-CD1 3.43Å; N117-I121 WeakPolarHBondContact O-CG1 3.26Å; N117-I121 PolarHBondContact O-N 3.2Å; N117-I121 VanDerWaalsContact O-N 3.07Å |
| 118 | M | 80.8 | Confident | 79.6 | Confident | 95 Ų | 95 | 111 Ų | 111 | 47% | 0.468 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 178.4 | -74.8 | -175.6 | -60.5 | 0 | 0 | 111.6 | R114 E115 G122 | R114-M118 HydrophobicContact CG-CE 3.95Å; R114-M118 HydrophobicContact CG-SD 4.36Å; R114-M118 WeakPolarHBondContact O-CE 3.16Å; R114-M118 VanDerWaalsContact O-CG 3.26Å; R114-M118 WeakPolarHBondContact O-CG 3.48Å; R114-M118 PolarHBondContact O-N 2.97Å; R114-M118 VanDerWaalsContact O-N 3.15Å; E115-M118 PolarHBondContact O-N 3.43Å; E115-M118 VanDerWaalsContact O-N 3.08Å; M118-G122 PolarHBondContact O-N 3.48Å |
| 119 | E | 85.4 | Confident | 81.1 | Confident | 135 Ų | 135 | 110.9 Ų | 110.9 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.6 | -49.6 | 175.9 | -172.3 | 170.2 | -157.3 | 0 | 0 | 111.3 | E115 I121 G122 E123 | E115-E119 PolarHBondContact O-N 3.33Å; E119-I121 PolarHBondContact O-N 3.01Å; E119-G122 PolarHBondContact O-N 3.49Å; E119-G122 VanDerWaalsContact O-N 3.14Å; E119-E123 PolarHBondContact O-N 3.06Å |
| 120 | R | 88.6 | Confident | 82.5 | Confident | 138 Ų | 138 | 113.3 Ų | 113.3 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 177.4 | -179.9 | 177 | 163.3 | -92.5 | -13.2 | 112.6 | E116 G122 E123 E124 | E116-R120 PolarHBondContact O-N 3.15Å; R120-G122 VanDerWaalsContact C-N 3.31Å; R120-G122 PolarHBondContact O-N 3.37Å; R120-E123 PolarHBondContact O-N 3.49Å; R120-E124 IonicContact CZ-OE1 3.84Å; R120-E124 IonicContact NE-OE1 3.11Å; R120-E124 PolarHBondContact NE-OE1 3.41Å; R120-E124 IonicContact NH1-OE1 2.97Å; R120-E124 IonicContact NH2-OE1 3.54Å; R120-E124 PolarHBondContact NH2-OE1 3.06Å; R120-E124 IonicContact NH2-OE2 3.12Å; R120-E124 WeakPolarHBondContact O-CG 3.41Å; R120-E124 PolarHBondContact O-N 2.97Å |
| 121 | I | 90.3 | Very high | 84.1 | Confident | 91 Ų | 91 | 112 Ų | 112 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 177.8 | -68.3 | 166.6 | 0 | 0 | 0 | 110.5 | N117 E119 E123 E124 V125 | N117-I121 WeakPolarHBondContact O-CB 3.33Å; N117-I121 WeakPolarHBondContact O-CD1 3.43Å; N117-I121 WeakPolarHBondContact O-CG1 3.26Å; N117-I121 PolarHBondContact O-N 3.2Å; N117-I121 VanDerWaalsContact O-N 3.07Å; E119-I121 PolarHBondContact O-N 3.01Å; I121-E123 PolarHBondContact O-N 3.33Å; I121-E124 PolarHBondContact O-N 3.48Å; I121-V125 HydrophobicContact CG2-CG2 4.44Å; I121-V125 WeakPolarHBondContact O-CG2 3.43Å; I121-V125 PolarHBondContact O-N 3.18Å |
| 122 | G | 92.9 | Very high | 85.6 | Confident | 41 Ų | 41 | 113.4 Ų | 113.4 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M118 E119 R120 V125 R126 | M118-G122 PolarHBondContact O-N 3.48Å; E119-G122 PolarHBondContact O-N 3.49Å; E119-G122 VanDerWaalsContact O-N 3.14Å; R120-G122 VanDerWaalsContact C-N 3.31Å; R120-G122 PolarHBondContact O-N 3.37Å; G122-V125 PolarHBondContact O-N 2.95Å; G122-R126 WeakPolarHBondContact O-CB 3.33Å; G122-R126 PolarHBondContact O-N 3.4Å |
| 123 | E | 94.3 | Very high | 87.1 | Confident | 91 Ų | 91 | 113.4 Ų | 113.4 | 43% | 0.425 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 176 | -70 | -170.6 | 155 | 0 | 0 | 112.8 | E119 R120 I121 V125 R126 Q127 | E119-E123 PolarHBondContact O-N 3.06Å; R120-E123 PolarHBondContact O-N 3.49Å; I121-E123 PolarHBondContact O-N 3.33Å; E123-V125 PolarHBondContact O-N 3.42Å; E123-R126 PolarHBondContact O-N 3.03Å; E123-Q127 WeakPolarHBondContact O-CG 3.39Å; E123-Q127 PolarHBondContact O-N 3.45Å |
| 124 | E | 94.7 | Very high | 88.5 | Confident | 92 Ų | 92 | 115.3 Ų | 115.3 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.9 | -73.5 | 178.8 | 177.4 | 0 | 0 | 111.7 | R120 I121 Q127 L128 | R120-E124 IonicContact CZ-OE1 3.84Å; R120-E124 IonicContact NE-OE1 3.11Å; R120-E124 PolarHBondContact NE-OE1 3.41Å; R120-E124 IonicContact NH1-OE1 2.97Å; R120-E124 IonicContact NH2-OE1 3.54Å; R120-E124 PolarHBondContact NH2-OE1 3.06Å; R120-E124 IonicContact NH2-OE2 3.12Å; R120-E124 WeakPolarHBondContact O-CG 3.41Å; R120-E124 PolarHBondContact O-N 2.97Å; I121-E124 PolarHBondContact O-N 3.48Å; E124-Q127 PolarHBondContact O-N 3.14Å; E124-L128 WeakPolarHBondContact O-CB 3.32Å; E124-L128 PolarHBondContact O-N 2.95Å |
| 125 | V | 95.7 | Very high | 89.8 | Confident | 79 Ų | 79 | 113.9 Ų | 113.9 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176 | 173 | 0 | 0 | 0 | 0 | 111.2 | I121 G122 E123 L128 M129 | I121-V125 HydrophobicContact CG2-CG2 4.44Å; I121-V125 WeakPolarHBondContact O-CG2 3.43Å; I121-V125 PolarHBondContact O-N 3.18Å; G122-V125 PolarHBondContact O-N 2.95Å; E123-V125 PolarHBondContact O-N 3.42Å; V125-L128 PolarHBondContact O-N 3.05Å; V125-M129 HydrophobicContact CG1-CG 4.48Å; V125-M129 WeakPolarHBondContact O-CG 3.42Å; V125-M129 PolarHBondContact O-N 2.95Å |
| 126 | R | 96 | Very high | 90.8 | Very high | 163 Ų | 163 | 112.8 Ų | 112.8 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 176 | -170.9 | 179.7 | 72 | -175.7 | -3.1 | 111.4 | G122 E123 L128 M129 E130 | G122-R126 WeakPolarHBondContact O-CB 3.33Å; G122-R126 PolarHBondContact O-N 3.4Å; E123-R126 PolarHBondContact O-N 3.03Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.47Å; R126-M129 PolarHBondContact O-N 2.92Å; R126-E130 PolarHBondContact O-N 3.26Å |
| 127 | Q | 97.1 | Very high | 91.5 | Very high | 96 Ų | 96 | 110.7 Ų | 110.7 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177.2 | -71.4 | 178.9 | 23.7 | 0 | 0 | 112.3 | E123 E124 E130 K131 | E123-Q127 WeakPolarHBondContact O-CG 3.39Å; E123-Q127 PolarHBondContact O-N 3.45Å; E124-Q127 PolarHBondContact O-N 3.14Å; Q127-E130 PolarHBondContact O-N 2.96Å; Q127-K131 WeakPolarHBondContact O-CG 3.27Å; Q127-K131 PolarHBondContact O-N 2.99Å |
| 128 | L | 97.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 110 Ų | 110 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -45.2 | 176.7 | 179.3 | 64.4 | 0 | 0 | 0 | 111.6 | E124 V125 R126 K131 L132 | E124-L128 WeakPolarHBondContact O-CB 3.32Å; E124-L128 PolarHBondContact O-N 2.95Å; V125-L128 PolarHBondContact O-N 3.05Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.47Å; L128-K131 PolarHBondContact O-N 3.07Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 3.29Å |
| 129 | M | 96.4 | Very high | 91.3 | Very high | 117 Ų | 117 | 112.3 Ų | 112.3 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 178.7 | -71.5 | -63.4 | -70.5 | 0 | 0 | 112.2 | V125 R126 L132 R133 | V125-M129 HydrophobicContact CG1-CG 4.48Å; V125-M129 WeakPolarHBondContact O-CG 3.42Å; V125-M129 PolarHBondContact O-N 2.95Å; R126-M129 PolarHBondContact O-N 2.92Å; M129-L132 PolarHBondContact O-N 3.47Å; M129-R133 WeakPolarHBondContact O-CB 3.41Å; M129-R133 PolarHBondContact O-N 3.34Å |
| 130 | E | 96.4 | Very high | 90.6 | Very high | 132 Ų | 132 | 108.2 Ų | 108.2 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 175 | -174.2 | 169.3 | -155 | 0 | 0 | 111.5 | R126 Q127 L132 R133 E134 | R126-E130 PolarHBondContact O-N 3.26Å; Q127-E130 PolarHBondContact O-N 2.96Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.94Å; E130-R133 PolarHBondContact O-N 3.4Å; E130-E134 WeakPolarHBondContact O-CB 3.38Å; E130-E134 PolarHBondContact O-N 2.97Å |
| 131 | K | 96.4 | Very high | 89.8 | Confident | 130 Ų | 130 | 107.5 Ų | 107.5 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 175.5 | -75.6 | 179.4 | 177.9 | 174 | 0 | 112.6 | Q127 L128 R133 E134 K135 | Q127-K131 WeakPolarHBondContact O-CG 3.27Å; Q127-K131 PolarHBondContact O-N 2.99Å; L128-K131 PolarHBondContact O-N 3.07Å; K131-R133 VanDerWaalsContact C-N 3.33Å; K131-E134 PolarHBondContact O-N 2.8Å; K131-K135 VanDerWaalsContact O-CG 3.32Å; K131-K135 WeakPolarHBondContact O-CG 3.48Å; K131-K135 PolarHBondContact O-N 3.41Å |
| 132 | L | 95.2 | Very high | 88.6 | Confident | 86 Ų | 86 | 113 Ų | 113 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 177.3 | -178.7 | 62.6 | 0 | 0 | 0 | 110.8 | L128 M129 E130 K135 Q136 | L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 3.29Å; M129-L132 PolarHBondContact O-N 3.47Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.94Å; L132-K135 PolarHBondContact O-N 2.88Å; L132-Q136 WeakPolarHBondContact O-CB 3.47Å; L132-Q136 VanDerWaalsContact O-CG 3.27Å; L132-Q136 WeakPolarHBondContact O-CG 3.4Å; L132-Q136 PolarHBondContact O-N 3.37Å |
| 133 | R | 92.4 | Very high | 87.4 | Confident | 174 Ų | 174 | 114.7 Ų | 114.7 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64 | -44.1 | 177.4 | -166.9 | -179.5 | -166.5 | -138 | 3.1 | 111.8 | M129 E130 K131 K135 Q136 L137 | M129-R133 WeakPolarHBondContact O-CB 3.41Å; M129-R133 PolarHBondContact O-N 3.34Å; E130-R133 PolarHBondContact O-N 3.4Å; K131-R133 VanDerWaalsContact C-N 3.33Å; R133-K135 VanDerWaalsContact C-N 3.35Å; R133-K135 PolarHBondContact O-N 3.24Å; R133-Q136 PolarHBondContact O-N 3.39Å; R133-L137 HydrophobicContact CG-CD1 4.18Å; R133-L137 WeakPolarHBondContact O-CB 3.35Å; R133-L137 VanDerWaalsContact O-CG 3.28Å; R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 3.33Å |
| 134 | E | 92.8 | Very high | 86.1 | Confident | 124 Ų | 124 | 115.8 Ų | 115.8 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.6 | -45.2 | 176.2 | -170.8 | -170.7 | 173.2 | 0 | 0 | 111.3 | E130 K131 L137 S138 | E130-E134 WeakPolarHBondContact O-CB 3.38Å; E130-E134 PolarHBondContact O-N 2.97Å; K131-E134 PolarHBondContact O-N 2.8Å; E134-L137 PolarHBondContact O-N 3.34Å; E134-S138 WeakPolarHBondContact O-CB 3.49Å; E134-S138 PolarHBondContact O-N 2.81Å; E134-S138 PolarHBondContact O-OG 3.46Å |
| 135 | K | 89.5 | Confident | 84.9 | Confident | 143 Ų | 143 | 114.2 Ų | 114.2 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.8 | -43.3 | 176.6 | -69.6 | -62.7 | -178.9 | -168.8 | 0 | 112.2 | K131 L132 R133 L137 S138 H139 | K131-K135 VanDerWaalsContact O-CG 3.32Å; K131-K135 WeakPolarHBondContact O-CG 3.48Å; K131-K135 PolarHBondContact O-N 3.41Å; L132-K135 PolarHBondContact O-N 2.88Å; R133-K135 VanDerWaalsContact C-N 3.35Å; R133-K135 PolarHBondContact O-N 3.24Å; K135-L137 VanDerWaalsContact C-N 3.34Å; K135-L137 PolarHBondContact O-N 3.43Å; K135-S138 WeakPolarHBondContact CA-OG 3.28Å; K135-S138 PolarHBondContact O-N 3.01Å; K135-S138 PolarHBondContact O-OG 2.92Å; K135-H139 WeakPolarHBondContact O-CB 3.47Å; K135-H139 PolarHBondContact O-N 3.31Å |
| 136 | Q | 87 | Confident | 83.5 | Confident | 120 Ų | 120 | 117.2 Ų | 117.2 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.7 | -43.3 | 175.6 | -75 | 173.5 | -13.3 | 0 | 0 | 112 | L132 R133 S140 | L132-Q136 WeakPolarHBondContact O-CB 3.47Å; L132-Q136 VanDerWaalsContact O-CG 3.27Å; L132-Q136 WeakPolarHBondContact O-CG 3.4Å; L132-Q136 PolarHBondContact O-N 3.37Å; R133-Q136 PolarHBondContact O-N 3.39Å; Q136-S140 PolarHBondContact O-N 3.41Å; Q136-S140 VanDerWaalsContact O-N 3.1Å; Q136-S140 PolarHBondContact O-OG 3.1Å |
| 137 | L | 85.1 | Confident | 82.3 | Confident | 88 Ų | 88 | 115.8 Ų | 115.8 | 46% | 0.461 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.4 | -40.9 | 176.7 | -68.4 | 172 | 0 | 0 | 0 | 112.2 | R133 E134 K135 H139 S140 L141 | R133-L137 HydrophobicContact CG-CD1 4.18Å; R133-L137 WeakPolarHBondContact O-CB 3.35Å; R133-L137 VanDerWaalsContact O-CG 3.28Å; R133-L137 WeakPolarHBondContact O-CG 3.44Å; R133-L137 PolarHBondContact O-N 3.33Å; E134-L137 PolarHBondContact O-N 3.34Å; K135-L137 VanDerWaalsContact C-N 3.34Å; K135-L137 PolarHBondContact O-N 3.43Å; L137-H139 VanDerWaalsContact C-N 3.3Å; L137-H139 PolarHBondContact O-N 3.42Å; L137-S140 PolarHBondContact O-N 2.77Å; L137-S140 PolarHBondContact O-OG 3.29Å; L137-L141 WeakPolarHBondContact O-CB 3.19Å; L137-L141 WeakPolarHBondContact O-CG 3.24Å; L137-L141 PolarHBondContact O-N 3.14Å |
| 138 | S | 79.1 | Confident | 81 | Confident | 60 Ų | 60 | 115.6 Ų | 115.6 | 42% | 0.42 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.8 | -38.1 | 177.8 | 72.2 | 0 | 0 | 0 | 0 | 112.2 | E134 K135 R142 | E134-S138 WeakPolarHBondContact O-CB 3.49Å; E134-S138 PolarHBondContact O-N 2.81Å; E134-S138 PolarHBondContact O-OG 3.46Å; K135-S138 WeakPolarHBondContact CA-OG 3.28Å; K135-S138 PolarHBondContact O-N 3.01Å; K135-S138 PolarHBondContact O-OG 2.92Å; S138-R142 WeakPolarHBondContact O-CB 3.39Å; S138-R142 PolarHBondContact O-N 3.11Å; S138-R142 VanDerWaalsContact O-N 3.09Å |
| 139 | H | 75.1 | Confident | 79.8 | Confident | 142 Ų | 142 | 115 Ų | 115 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71 | -42 | 177.8 | -175.8 | -81.1 | 0 | 0 | 0 | 111.5 | K135 L137 R142 A143 | K135-H139 WeakPolarHBondContact O-CB 3.47Å; K135-H139 PolarHBondContact O-N 3.31Å; L137-H139 VanDerWaalsContact C-N 3.3Å; L137-H139 PolarHBondContact O-N 3.42Å; H139-R142 PolarHBondContact O-N 3.09Å; H139-A143 WeakPolarHBondContact O-CB 3.34Å; H139-A143 PolarHBondContact O-N 3.24Å |
| 140 | S | 70.4 | Confident | 78.4 | Confident | 50 Ų | 50 | 117.2 Ų | 117.2 | 35% | 0.35 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.1 | -43 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | Q136 L137 R142 A143 V144 | Q136-S140 PolarHBondContact O-N 3.41Å; Q136-S140 VanDerWaalsContact O-N 3.1Å; Q136-S140 PolarHBondContact O-OG 3.1Å; L137-S140 PolarHBondContact O-N 2.77Å; L137-S140 PolarHBondContact O-OG 3.29Å; S140-R142 VanDerWaalsContact C-N 3.3Å; S140-R142 PolarHBondContact O-N 3.03Å; S140-A143 PolarHBondContact O-N 2.82Å; S140-A143 VanDerWaalsContact O-N 3.13Å; S140-V144 WeakPolarHBondContact O-CB 3.31Å; S140-V144 VanDerWaalsContact O-CG2 3.24Å; S140-V144 WeakPolarHBondContact O-CG2 3.37Å; S140-V144 PolarHBondContact O-N 2.89Å |
| 141 | L | 71.4 | Confident | 77 | Confident | 123 Ų | 123 | 118.4 Ų | 118.4 | 64% | 0.644 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.7 | -38.7 | 177 | -70.9 | 173 | 0 | 0 | 0 | 111.8 | L137 V144 S145 | L137-L141 WeakPolarHBondContact O-CB 3.19Å; L137-L141 WeakPolarHBondContact O-CG 3.24Å; L137-L141 PolarHBondContact O-N 3.14Å; L141-V144 PolarHBondContact O-N 3.47Å; L141-S145 VanDerWaalsContact O-CB 3.31Å; L141-S145 WeakPolarHBondContact O-CB 3.32Å; L141-S145 PolarHBondContact O-N 2.82Å; L141-S145 PolarHBondContact O-OG 2.97Å |
| 142 | R | 66.5 | Low | 75.5 | Confident | 206 Ų | 206 | 117.3 Ų | 117.3 | 78% | 0.777 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -31.6 | 174.6 | -168.6 | 179.5 | -170.6 | -159.8 | 3.1 | 113.3 | S138 H139 S140 S145 | S138-R142 WeakPolarHBondContact O-CB 3.39Å; S138-R142 PolarHBondContact O-N 3.11Å; S138-R142 VanDerWaalsContact O-N 3.09Å; H139-R142 PolarHBondContact O-N 3.09Å; S140-R142 VanDerWaalsContact C-N 3.3Å; S140-R142 PolarHBondContact O-N 3.03Å; R142-S145 PolarHBondContact O-OG 3Å |
| 143 | A | 66.4 | Low | 74.2 | Confident | 77 Ų | 77 | 120.5 Ų | 120.5 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.1 | -28.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H139 S140 | H139-A143 WeakPolarHBondContact O-CB 3.34Å; H139-A143 PolarHBondContact O-N 3.24Å; S140-A143 PolarHBondContact O-N 2.82Å; S140-A143 VanDerWaalsContact O-N 3.13Å |
| 144 | V | 68 | Low | 73 | Confident | 114 Ų | 114 | 118.7 Ų | 118.7 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -89 | -22.1 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | S140 L141 T146 | S140-V144 WeakPolarHBondContact O-CB 3.31Å; S140-V144 VanDerWaalsContact O-CG2 3.24Å; S140-V144 WeakPolarHBondContact O-CG2 3.37Å; S140-V144 PolarHBondContact O-N 2.89Å; L141-V144 PolarHBondContact O-N 3.47Å; V144-T146 PolarHBondContact O-N 3.49Å; V144-T146 VanDerWaalsContact O-N 3.1Å |
| 145 | S | 68.8 | Low | 71.7 | Confident | 58 Ų | 58 | 117.7 Ų | 117.7 | 41% | 0.406 | 62% | 0.62 | S | S | . | * | trans | -63.7 | 114.1 | 171.5 | 64.8 | 0 | 0 | 0 | 0 | 109.3 | L141 R142 D147 | L141-S145 VanDerWaalsContact O-CB 3.31Å; L141-S145 WeakPolarHBondContact O-CB 3.32Å; L141-S145 PolarHBondContact O-N 2.82Å; L141-S145 PolarHBondContact O-OG 2.97Å; R142-S145 PolarHBondContact O-OG 3Å; S145-D147 PolarHBondContact O-N 2.84Å | ||
| 146 | T | 66.7 | Low | 70.6 | Confident | 142 Ų | 142 | 118.7 Ų | 118.7 | 87% | 0.871 | 63% | 0.627 | S | S | * | * | trans | -75.5 | 9.1 | 172.3 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | V144 P148 | V144-T146 PolarHBondContact O-N 3.49Å; V144-T146 VanDerWaalsContact O-N 3.1Å; T146-P148 VanDerWaalsContact O-CD 3.32Å; T146-P148 WeakPolarHBondContact O-CD 3.32Å | ||
| 147 | D | 71.1 | Confident | 69.5 | Low | 133 Ų | 133 | 121.1 Ų | 121.1 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | trans | -76.7 | 114.5 | -178.8 | -157.1 | 18.8 | 0 | 0 | 0 | 108.6 | S145 | S145-D147 PolarHBondContact O-N 2.84Š| ||
| 148 | P | 69.6 | Low | 68.6 | Low | 93 Ų | 93 | 122 Ų | 122 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | trans | -59.3 | 142.2 | 177.8 | -16.4 | 29.2 | 0 | 0 | 0 | 108.9 | T146 H150 | T146-P148 VanDerWaalsContact O-CD 3.32Å; T146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-H150 PolarHBondContact O-N 2.98Å | ||
| 149 | P | 70.9 | Confident | 68.2 | Low | 103 Ų | 103 | 126.4 Ų | 126.4 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | trans | -54.9 | 113.1 | 169.7 | 21.7 | -29.7 | 0 | 0 | 0 | 108.3 | H151 | P149-H151 VanDerWaalsContact C-N 3.32Å; P149-H151 PolarHBondContact O-CD2 2.89Å; P149-H151 PolarHBondContact O-N 3.13Å | ||
| 150 | H | 68.6 | Low | 67.6 | Low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | trans | -65.7 | 94.3 | -177.3 | -172.7 | 12.7 | 0 | 0 | 0 | 108.4 | P148 D152 | P148-H150 PolarHBondContact O-N 2.98Å; H150-D152 PolarHBondContact O-N 3.47Å | ||
| 151 | H | 67.1 | Low | 67.4 | Low | 158 Ų | 158 | 134.1 Ų | 134.1 | 73% | 0.731 | 72% | 0.715 | S | S | * | * | trans | -73.8 | 107.5 | 166.9 | -76.3 | -69.4 | 0 | 0 | 0 | 107 | P149 H153 | P149-H151 VanDerWaalsContact C-N 3.32Å; P149-H151 PolarHBondContact O-CD2 2.89Å; P149-H151 PolarHBondContact O-N 3.13Å; H151-H153 VanDerWaalsContact C-N 3.35Å; H151-H153 PolarHBondContact O-N 3.39Å | ||
| 152 | D | 64.8 | Low | 67.2 | Low | 106 Ų | 106 | 134.7 Ų | 134.7 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | trans | -70.8 | 93.2 | 175.1 | -139.9 | 0.7 | 0 | 0 | 0 | 107.3 | H150 H154 | H150-D152 PolarHBondContact O-N 3.47Å; D152-H154 VanDerWaalsContact C-N 3.26Å; D152-H154 PolarHBondContact O-N 3.09Å; D152-H154 IonicContact OD1-CD2 3.35Å; D152-H154 IonicContact OD1-CE1 3.14Å; D152-H154 IonicContact OD1-NE2 2.64Å; D152-H154 PolarHBondContact OD1-NE2 2.83Å; D152-H154 VanDerWaalsContact OD1-NE2 3.14Å; D152-H154 IonicContact OD2-CD2 3.93Å; D152-H154 IonicContact OD2-CE1 2.82Å; D152-H154 IonicContact OD2-NE2 3.97Å; D152-H154 PolarHBondContact OD2-NE2 2.88Å | ||
| 153 | H | 67.3 | Low | 67.3 | Low | 153 Ų | 153 | 130.9 Ų | 130.9 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | trans | -83.2 | 74 | -177.3 | -160.1 | 25 | 0 | 0 | 0 | 109.1 | H151 D155 | H151-H153 VanDerWaalsContact C-N 3.35Å; H151-H153 PolarHBondContact O-N 3.39Å; H153-D155 IonicContact CE1-OD2 3.65Å; H153-D155 PolarHBondContact CE1-OD2 3.14Å; H153-D155 IonicContact ND1-OD2 3.89Å; H153-D155 PolarHBondContact ND1-OD2 3.35Å; H153-D155 VanDerWaalsContact ND1-OD2 3.11Å; H153-D155 PolarHBondContact O-N 2.99Å; H153-D155 VanDerWaalsContact O-N 3.09Å | ||
| 154 | H | 66.8 | Low | 67.3 | Low | 136 Ų | 136 | 133.9 Ų | 133.9 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | trans | -79.8 | 44.7 | 170.7 | -66 | -66 | 0 | 0 | 0 | 112 | D152 E156 | D152-H154 VanDerWaalsContact C-N 3.26Å; D152-H154 PolarHBondContact O-N 3.09Å; D152-H154 IonicContact OD1-CD2 3.35Å; D152-H154 IonicContact OD1-CE1 3.14Å; D152-H154 IonicContact OD1-NE2 2.64Å; D152-H154 PolarHBondContact OD1-NE2 2.83Å; D152-H154 VanDerWaalsContact OD1-NE2 3.14Å; D152-H154 IonicContact OD2-CD2 3.93Å; D152-H154 IonicContact OD2-CE1 2.82Å; D152-H154 IonicContact OD2-NE2 3.97Å; D152-H154 PolarHBondContact OD2-NE2 2.88Å; H154-E156 VanDerWaalsContact C-N 3.27Å; H154-E156 PolarHBondContact O-N 3.45Å | ||
| 155 | D | 65 | Low | 67.3 | Low | 103 Ų | 103 | 135.1 Ų | 135.1 | 55% | 0.551 | 72% | 0.722 | S | S | * | * | trans | -92.4 | 74.8 | 165 | -69.5 | -45.7 | 0 | 0 | 0 | 107.6 | H153 F157 | H153-D155 IonicContact CE1-OD2 3.65Å; H153-D155 PolarHBondContact CE1-OD2 3.14Å; H153-D155 IonicContact ND1-OD2 3.89Å; H153-D155 PolarHBondContact ND1-OD2 3.35Å; H153-D155 VanDerWaalsContact ND1-OD2 3.11Å; H153-D155 PolarHBondContact O-N 2.99Å; H153-D155 VanDerWaalsContact O-N 3.09Å; D155-F157 HydrophobicContact CB-CD2 4.07Å; D155-F157 HydrophobicContact CB-CE2 4.07Å; D155-F157 PolarHBondContact O-N 2.78Å | ||
| 156 | E | 66.7 | Low | 67.2 | Low | 164 Ų | 164 | 139.9 Ų | 139.9 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -58.5 | 85.2 | 158.5 | -71 | -176.7 | 172.9 | 0 | 0 | 107.8 | H154 C158 | H154-E156 VanDerWaalsContact C-N 3.27Å; H154-E156 PolarHBondContact O-N 3.45Å; E156-C158 PolarHBondContact O-N 2.97Å | ||
| 157 | F | 64.2 | Low | 67.2 | Low | 171 Ų | 171 | 139.7 Ų | 139.7 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | trans | -65.7 | 82.8 | 164.1 | -88.7 | -87.3 | 0 | 0 | 0 | 108.2 | D155 L159 | D155-F157 HydrophobicContact CB-CD2 4.07Å; D155-F157 HydrophobicContact CB-CE2 4.07Å; D155-F157 PolarHBondContact O-N 2.78Å; F157-L159 VanDerWaalsContact C-N 3.25Å; F157-L159 PolarHBondContact O-N 3.18Å | ||
| 158 | C | 67.1 | Low | 66.9 | Low | 106 Ų | 106 | 140.2 Ų | 140.2 | 72% | 0.716 | 74% | 0.735 | S | S | * | * | trans | -69.9 | 86.2 | 163.1 | -69 | 0 | 0 | 0 | 0 | 108 | E156 M160 | E156-C158 PolarHBondContact O-N 2.97Å; C158-M160 PolarHBondContact O-N 3.1Å; C158-M160 VanDerWaalsContact O-N 3.14Å | ||
| 159 | L | 69.5 | Low | 66.7 | Low | 153 Ų | 153 | 143.8 Ų | 143.8 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | -70.1 | 104.6 | 160 | -65.6 | 178.1 | 0 | 0 | 0 | 107.1 | F157 | F157-L159 VanDerWaalsContact C-N 3.25Å; F157-L159 PolarHBondContact O-N 3.18Å | ||
| 160 | M | 62.8 | Low | 66.4 | Low | 166 Ų | 166 | 147.3 Ų | 147.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -49.3 | 140.4 | 164.4 | -92.1 | -92.5 | -50.2 | 0 | 0 | 109.9 | C158 | C158-M160 PolarHBondContact O-N 3.1Å; C158-M160 VanDerWaalsContact O-N 3.14Å | ||
| 161 | P | 66.8 | Low | 66.2 | Low | 188 Ų | 188 | 145.8 Ų | 145.8 | 100% | 1.221 | 75% | 0.751 | S | S | * | * | trans | -64.1 | 0 | -172.9 | 26.4 | -34.2 | 0 | 0 | 0 | 114.1 |
Retrieved 161 of 161 residues in 400.9 ms
(Link to these results)