| 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 | 44.7 | Very low | 38.4 | Very low | 245 Ų | 245 | 150.4 Ų | 150.4 | 100% | 1.207 | 81% | 0.811 | S | S | * | * | 0 | 120.8 | 0 | -75.8 | -179.8 | 171.1 | 0 | 0 | 107.4 | |||||
| 2 | S | 38.6 | Very low | 38.3 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -56.9 | 151.5 | 178.9 | -45.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | F | 41.5 | Very low | 38.1 | Very low | 206 Ų | 206 | 155.5 Ų | 155.5 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | -173 | 110.5 | 112.5 | -85.1 | -63.7 | 0 | 0 | 0 | 109.4 | |||||
| 4 | T | 34.2 | Very low | 38 | Very low | 131 Ų | 131 | 161.3 Ų | 161.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -91.8 | 118.1 | 171.9 | -59.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 5 | T | 43.5 | Very low | 37.7 | Very low | 145 Ų | 145 | 158.5 Ų | 158.5 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -99.3 | 102.5 | 167.3 | 33.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 6 | R | 36.8 | Very low | 37.6 | Very low | 213 Ų | 213 | 159.6 Ų | 159.6 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -95.6 | 112.6 | 173.8 | -149.1 | 177.4 | -170.1 | -123.9 | 4.1 | 107.6 | ||||
| 7 | S | 35.5 | Very low | 37.4 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -85.8 | 122.5 | 166.7 | 166.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 8 | T | 39.6 | Very low | 37.4 | Very low | 111 Ų | 111 | 152.2 Ų | 152.2 | 68% | 0.681 | 82% | 0.819 | S | S | * | * | trans | -137.2 | 109.6 | 167.4 | 50.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 9 | F | 37.2 | Very low | 37.5 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -92.3 | 123.5 | 161.1 | -165.3 | -96.3 | 0 | 0 | 0 | 106.9 | ||||
| 10 | S | 34.4 | Very low | 37.3 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | trans | -154.1 | 107.9 | 167.3 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 11 | T | 36.5 | Very low | 37.4 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 58% | 0.583 | 82% | 0.817 | S | S | * | * | trans | -62.7 | 127.7 | 163.2 | -56 | 0 | 0 | 0 | 0 | 109.9 | Y13 | T11-Y13 HydrophobicContact CG2-CD2 4.48Š| ||
| 12 | N | 36.8 | Very low | 37 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -142.8 | 102.3 | 161 | -88.3 | -41.5 | 0 | 0 | 0 | 109.3 | R14 | N12-R14 PolarHBondContact O-N 3.24Š| ||
| 13 | Y | 36.7 | Very low | 36.8 | Very low | 230 Ų | 230 | 144.8 Ų | 144.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 115.7 | 158.3 | -93 | -95.2 | 0 | 0 | 0 | 107.7 | T11 | T11-Y13 HydrophobicContact CG2-CD2 4.48Š| ||
| 14 | R | 36.6 | Very low | 36.8 | Very low | 236 Ų | 236 | 146.2 Ų | 146.2 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -118.1 | 122.5 | 165.4 | -99.1 | -172.9 | -173 | -130.2 | 1.2 | 110.4 | N12 | N12-R14 PolarHBondContact O-N 3.24Š| ||
| 15 | S | 33.6 | Very low | 36.8 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -36.4 | 126.3 | 168.1 | -174.2 | 0 | 0 | 0 | 0 | 114.3 | G17 | S15-G17 PolarHBondContact O-N 2.83Š| ||
| 16 | L | 36.3 | Very low | 36.7 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 105.7 | 164.6 | -76.5 | 158.4 | 0 | 0 | 0 | 109 | ||||
| 17 | G | 33.2 | Very low | 36.7 | Very low | 70 Ų | 70 | 142.1 Ų | 142.1 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -100.9 | 100.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S15 | S15-G17 PolarHBondContact O-N 2.83Š| ||
| 18 | S | 37.6 | Very low | 36.9 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -84.4 | 114.3 | 172.8 | 63.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 19 | V | 38.8 | Very low | 36.9 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 116.2 | 166.3 | 176.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 20 | Q | 34.6 | Very low | 37 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 119.4 | 175.1 | -165.6 | 162.4 | 27.3 | 0 | 0 | 110 | ||
| 21 | A | 38.5 | Very low | 37.3 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 149.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | S23 | A21-S23 PolarHBondContact O-N 3.06Š|
| 22 | P | 36.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -82.9 | 108.5 | 178 | 31.6 | -28.8 | 0 | 0 | 0 | 110 | ||||
| 23 | S | 34.3 | Very low | 37.5 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -88.9 | 115.2 | 164.8 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | A21 G25 | A21-S23 PolarHBondContact O-N 3.06Å; S23-G25 PolarHBondContact O-N 2.92Å; S23-G25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | Y | 41.8 | Very low | 37.7 | Very low | 237 Ų | 237 | 132.9 Ų | 132.9 | 93% | 0.929 | 81% | 0.812 | S | S | * | * | trans | -66.9 | 104.8 | 163.5 | -78.3 | -89.5 | 0 | 0 | 0 | 108.8 | ||||
| 25 | G | 34 | Very low | 38.1 | Very low | 58 Ų | 58 | 127.9 Ų | 127.9 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | trans | -129.3 | 106.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | S23 R27 | S23-G25 PolarHBondContact O-N 2.92Å; S23-G25 VanDerWaalsContact O-N 3.13Å; G25-R27 PolarHBondContact O-N 2.8Å | ||
| 26 | A | 42.2 | Very low | 38.5 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58 | 119.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 27 | R | 35.8 | Very low | 39 | Very low | 233 Ų | 233 | 129 Ų | 129 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 138.1 | 170.9 | -76.7 | -172.4 | 164.1 | -161.6 | -3.7 | 109.9 | G25 | G25-R27 PolarHBondContact O-N 2.8Š|
| 28 | P | 40.3 | Very low | 39.4 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138 | 173.3 | 29.4 | -31.7 | 0 | 0 | 0 | 109.5 | S30 | P28-S30 PolarHBondContact O-N 2.92Š|
| 29 | V | 40 | Very low | 40 | Very low | 145 Ų | 145 | 128 Ų | 128 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -74 | 94.3 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 30 | S | 39.3 | Very low | 40.4 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -87.9 | 105.5 | 162.5 | -63.1 | 0 | 0 | 0 | 0 | 108.1 | P28 A32 | P28-S30 PolarHBondContact O-N 2.92Å; S30-A32 PolarHBondContact O-N 3.18Å | ||
| 31 | S | 41 | Very low | 41.2 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -65.5 | 110.3 | 170.6 | -171.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 32 | A | 35.8 | Very low | 41.5 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 129.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S30 S34 | S30-A32 PolarHBondContact O-N 3.18Å; A32-S34 PolarHBondContact O-N 2.81Å |
| 33 | A | 40.4 | Very low | 42 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 123.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 34 | S | 40.5 | Very low | 42.4 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 121.3 | 168.1 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | A32 | A32-S34 PolarHBondContact O-N 2.81Š|
| 35 | V | 45.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -106.5 | 106.9 | 171 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 36 | Y | 43.1 | Very low | 43.1 | Very low | 228 Ų | 228 | 124.7 Ų | 124.7 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -92.4 | 105.5 | 168 | -169.5 | -98.9 | 0 | 0 | 0 | 107.9 | ||||
| 37 | A | 45.9 | Very low | 43 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -107.1 | 94.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 38 | G | 42 | Very low | 43.2 | Very low | 49 Ų | 49 | 118.9 Ų | 118.9 | 51% | 0.505 | 80% | 0.795 | S | S | . | * | trans | -71.7 | 141.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G40 | G38-G40 PolarHBondContact O-N 3.26Š| ||
| 39 | A | 49.5 | Very low | 42.9 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 97% | 0.967 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -64.5 | 103.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 40 | G | 47.6 | Very low | 42.6 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 154.3 | 94.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G38 S42 | G38-G40 PolarHBondContact O-N 3.26Å; G40-S42 PolarHBondContact O-N 3.08Å; G40-S42 VanDerWaalsContact O-N 3.09Å |
| 41 | G | 50.9 | Low | 42.4 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -61 | 111.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | S | 45.9 | Very low | 42 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 173.4 | 119.6 | 133 | -166.1 | 0 | 0 | 0 | 0 | 109.4 | G40 | G40-S42 PolarHBondContact O-N 3.08Å; G40-S42 VanDerWaalsContact O-N 3.09Å |
| 43 | G | 47.3 | Very low | 41.8 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 101.3 | 66.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | R45 | G43-R45 PolarHBondContact O-N 3.1Š| ||
| 44 | S | 42.1 | Very low | 41.3 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -76.5 | 117.9 | 164.1 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 45 | R | 49.2 | Very low | 40.8 | Very low | 241 Ų | 241 | 135.4 Ų | 135.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -105.7 | 120.2 | 172.1 | -59.1 | -173 | -176.1 | -169.6 | 1.7 | 109.4 | G43 | G43-R45 PolarHBondContact O-N 3.1Š| ||
| 46 | I | 41.8 | Very low | 40 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -94.6 | 110.6 | 175.5 | -61.9 | 165.5 | 0 | 0 | 0 | 108.1 | V48 | I46-V48 HydrophobicContact CG2-CG2 3.78Š| ||
| 47 | S | 40.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -85.6 | 110.8 | 170.9 | -46.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 48 | V | 39.4 | Very low | 38.8 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | trans | -105.6 | 110.7 | 169.6 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | I46 R50 | I46-V48 HydrophobicContact CG2-CG2 3.78Å; V48-R50 HydrophobicContact CG1-CG 4.37Å; V48-R50 PolarHBondContact O-N 3.35Å; V48-R50 VanDerWaalsContact O-N 3.1Å | ||
| 49 | S | 34.4 | Very low | 38.2 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -69.4 | 101.9 | 167.9 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 50 | R | 34.1 | Very low | 37.5 | Very low | 218 Ų | 218 | 132.3 Ų | 132.3 | 82% | 0.823 | 82% | 0.82 | S | S | * | * | trans | -91.7 | 110.4 | 167.6 | -86.8 | -178.3 | 175.2 | 169 | -1.1 | 109.3 | V48 | V48-R50 HydrophobicContact CG1-CG 4.37Å; V48-R50 PolarHBondContact O-N 3.35Å; V48-R50 VanDerWaalsContact O-N 3.1Å | ||
| 51 | S | 33.6 | Very low | 36.8 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -79.5 | 108.9 | 161.8 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 52 | T | 34 | Very low | 35.9 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -129.9 | 102.7 | 165.3 | 53.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 53 | S | 31.3 | Very low | 35.3 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -130.6 | 95.6 | 172.6 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 54 | F | 30 | Very low | 34.6 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -163.8 | 137.5 | 160.3 | -89.6 | -71.7 | 0 | 0 | 0 | 103.3 | ||||
| 55 | R | 30.5 | Very low | 34.4 | Very low | 234 Ų | 234 | 135.6 Ų | 135.6 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | cis | -179.3 | 146.1 | 13.5 | 177.1 | -179.8 | -175.2 | -134.9 | 3.3 | 106.5 | ||||
| 56 | G | 28.1 | Very low | 33.8 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | 81.3 | 140 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 57 | G | 28.9 | Very low | 33.5 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | 147 | 143.8 | 13.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 58 | M | 34.8 | Very low | 33.3 | Very low | 200 Ų | 200 | 128.5 Ų | 128.5 | 99% | 0.985 | 82% | 0.822 | S | S | * | * | trans | 66.8 | 130.9 | 177 | -86.6 | 146.1 | 67.6 | 0 | 0 | 116.1 | ||||
| 59 | G | 29.6 | Very low | 33.1 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | cis | 135 | 139 | 12.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 60 | S | 33.6 | Very low | 33.2 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 92% | 0.923 | 83% | 0.833 | S | S | * | * | trans | 69.4 | 126.1 | 168 | -174.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 61 | G | 34 | Very low | 33.5 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | cis | 133.9 | 112.9 | 34 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 62 | G | 30.3 | Very low | 33.6 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | 122.4 | 152 | 82.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 63 | L | 34.3 | Very low | 33.8 | Very low | 179 Ų | 179 | 120.2 Ų | 120.2 | 94% | 0.937 | 84% | 0.837 | S | S | * | * | trans | 91.5 | 84.7 | 156.9 | -43.9 | -172 | 0 | 0 | 0 | 117.9 | ||||
| 64 | A | 32.9 | Very low | 34.3 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 85% | 0.851 | 85% | 0.847 | S | S | * | * | trans | -80.4 | 128.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 65 | S | 36.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -172 | 124.9 | 140.6 | -160.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 66 | G | 36.8 | Very low | 35.8 | Very low | 76 Ų | 76 | 109.2 Ų | 109.2 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | -69.1 | 151.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 67 | M | 36.8 | Very low | 37 | Very low | 188 Ų | 188 | 113 Ų | 113 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | -134.9 | 119.9 | 163.2 | -171 | 163.7 | 172.1 | 0 | 0 | 108.2 | ||||
| 68 | A | 34.8 | Very low | 38.2 | Very low | 97 Ų | 97 | 116.3 Ų | 116.3 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -83 | 155 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 69 | G | 34.8 | Very low | 39.2 | Very low | 84 Ų | 84 | 111.6 Ų | 111.6 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 125.9 | 116.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 70 | G | 37.1 | Very low | 40.6 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 162.1 | 80.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 71 | L | 39.8 | Very low | 42.3 | Very low | 179 Ų | 179 | 116.4 Ų | 116.4 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | trans | -92.8 | 125.4 | 174.8 | 169.9 | 128.6 | 0 | 0 | 0 | 110.8 | ||||
| 72 | A | 37.2 | Very low | 44 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -179.2 | 128 | 153.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 73 | G | 38 | Very low | 45.8 | Very low | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | cis | 115.1 | 115.9 | 35.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 74 | M | 41 | Very low | 47.8 | Very low | 198 Ų | 198 | 115.1 Ų | 115.1 | 98% | 0.975 | 74% | 0.74 | S | S | * | * | trans | 95.2 | 126.6 | 162.4 | -137.3 | 78.8 | 78.6 | 0 | 0 | 119.5 | ||||
| 75 | G | 38.9 | Very low | 50 | Low | 54 Ų | 54 | 115.1 Ų | 115.1 | 56% | 0.557 | 72% | 0.722 | S | S | * | * | trans | 127.8 | 93.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 76 | G | 52.8 | Low | 52.1 | Low | 65 Ų | 65 | 112.7 Ų | 112.7 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | -79.6 | 156.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 77 | I | 53.9 | Low | 54.3 | Low | 159 Ų | 159 | 114.2 Ų | 114.2 | 82% | 0.815 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 90 | -18.6 | 162.6 | -47.7 | 177.3 | 0 | 0 | 0 | 118 | ||
| 78 | Q | 53.7 | Low | 56.5 | Low | 142 Ų | 142 | 109.7 Ų | 109.7 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -89.3 | -28.6 | 167.8 | -98.9 | 76.8 | 3.8 | 0 | 0 | 114.4 | E80 | Q78-E80 PolarHBondContact O-N 3.31Š|
| 79 | N | 56.8 | Low | 58.9 | Low | 100 Ų | 100 | 110.4 Ų | 110.4 | 54% | 0.535 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.9 | -31.3 | -174.2 | -78.8 | -24.7 | 0 | 0 | 0 | 114 | K81 T83 | N79-K81 PolarHBondContact O-N 2.97Å; N79-T83 WeakPolarHBondContact O-CB 3.35Å; N79-T83 WeakPolarHBondContact O-CG2 3.3Å; N79-T83 PolarHBondContact O-N 3.43Å; N79-T83 PolarHBondContact O-OG1 3.32Å; N79-T83 VanDerWaalsContact O-OG1 3.08Å |
| 80 | E | 58.7 | Low | 61.2 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.7 | -35.2 | -174.7 | -152.9 | 170.4 | -167.9 | 0 | 0 | 111.7 | Q78 T83 M84 | Q78-E80 PolarHBondContact O-N 3.31Å; E80-T83 WeakPolarHBondContact CA-OG1 3.33Å; E80-T83 PolarHBondContact O-OG1 2.93Å; E80-M84 WeakPolarHBondContact O-CB 3.49Å; E80-M84 VanDerWaalsContact O-CG 3.28Å; E80-M84 WeakPolarHBondContact O-CG 3.27Å; E80-M84 PolarHBondContact O-N 3.24Å |
| 81 | K | 68.4 | Low | 63.6 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 65% | 0.652 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.8 | -39 | 177.2 | -166.3 | 176.6 | -179.1 | -178.7 | 0 | 112.6 | N79 M84 Q85 | N79-K81 PolarHBondContact O-N 2.97Å; K81-M84 PolarHBondContact O-N 2.81Å; K81-Q85 WeakPolarHBondContact O-CB 3.18Å; K81-Q85 WeakPolarHBondContact O-CG 3.24Å; K81-Q85 PolarHBondContact O-N 2.85Å |
| 82 | E | 70.9 | Confident | 65.9 | Low | 119 Ų | 119 | 108.9 Ų | 108.9 | 56% | 0.556 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.1 | -37.4 | 174.2 | -70.7 | -179.7 | 178.9 | 0 | 0 | 111.5 | Q85 S86 | E82-Q85 PolarHBondContact O-N 3.17Å; E82-S86 WeakPolarHBondContact O-CB 3.43Å; E82-S86 PolarHBondContact O-N 3.17Å |
| 83 | T | 68.4 | Low | 68.4 | Low | 73 Ų | 73 | 107.3 Ų | 107.3 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -40.6 | 172.7 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | N79 E80 S86 L87 | N79-T83 WeakPolarHBondContact O-CB 3.35Å; N79-T83 WeakPolarHBondContact O-CG2 3.3Å; N79-T83 PolarHBondContact O-N 3.43Å; N79-T83 PolarHBondContact O-OG1 3.32Å; N79-T83 VanDerWaalsContact O-OG1 3.08Å; E80-T83 WeakPolarHBondContact CA-OG1 3.33Å; E80-T83 PolarHBondContact O-OG1 2.93Å; T83-S86 PolarHBondContact O-N 3.3Å; T83-S86 PolarHBondContact O-OG 3.17Å; T83-L87 PolarHBondContact O-N 3.11Å |
| 84 | M | 74.6 | Confident | 70.9 | Confident | 103 Ų | 103 | 111.2 Ų | 111.2 | 51% | 0.507 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.6 | -37.3 | 174.5 | -79.6 | -62.4 | -62.1 | 0 | 0 | 113.2 | E80 K81 L87 N88 | E80-M84 WeakPolarHBondContact O-CB 3.49Å; E80-M84 VanDerWaalsContact O-CG 3.28Å; E80-M84 WeakPolarHBondContact O-CG 3.27Å; E80-M84 PolarHBondContact O-N 3.24Å; K81-M84 PolarHBondContact O-N 2.81Å; M84-L87 PolarHBondContact O-N 3.34Å; M84-N88 WeakPolarHBondContact O-CB 3.33Å; M84-N88 PolarHBondContact O-N 2.83Å |
| 85 | Q | 80 | Confident | 73.3 | Confident | 104 Ų | 104 | 105.9 Ų | 105.9 | 49% | 0.486 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.4 | -45.2 | 171.6 | -77.7 | 176.6 | -14.8 | 0 | 0 | 111 | K81 E82 L87 N88 D89 | K81-Q85 WeakPolarHBondContact O-CB 3.18Å; K81-Q85 WeakPolarHBondContact O-CG 3.24Å; K81-Q85 PolarHBondContact O-N 2.85Å; E82-Q85 PolarHBondContact O-N 3.17Å; Q85-L87 PolarHBondContact O-N 3.09Å; Q85-N88 PolarHBondContact O-N 2.83Å; Q85-N88 VanDerWaalsContact O-N 3.15Å; Q85-D89 WeakPolarHBondContact O-CB 3.42Å; Q85-D89 VanDerWaalsContact O-CG 3.24Å; Q85-D89 PolarHBondContact O-N 2.76Å |
| 86 | S | 80.7 | Confident | 75.9 | Confident | 67 Ų | 67 | 107.8 Ų | 107.8 | 47% | 0.469 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.9 | -35.1 | 176 | 87.1 | 0 | 0 | 0 | 0 | 112.5 | E82 T83 R90 | E82-S86 WeakPolarHBondContact O-CB 3.43Å; E82-S86 PolarHBondContact O-N 3.17Å; T83-S86 PolarHBondContact O-N 3.3Å; T83-S86 PolarHBondContact O-OG 3.17Å; S86-R90 VanDerWaalsContact O-CB 3.25Å; S86-R90 WeakPolarHBondContact O-CB 3.34Å; S86-R90 PolarHBondContact O-N 2.87Å |
| 87 | L | 82.6 | Confident | 77.7 | Confident | 108 Ų | 108 | 112 Ų | 112 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.5 | -43.7 | 175.7 | -122.2 | 86.1 | 0 | 0 | 0 | 111.3 | T83 M84 Q85 R90 L91 | T83-L87 PolarHBondContact O-N 3.11Å; M84-L87 PolarHBondContact O-N 3.34Å; Q85-L87 PolarHBondContact O-N 3.09Å; L87-R90 CarbonylContact O-C 3.56Å; L87-R90 PolarHBondContact O-N 2.78Å; L87-L91 WeakPolarHBondContact O-CB 3.09Å; L87-L91 PolarHBondContact O-N 2.85Å |
| 88 | N | 83.8 | Confident | 79.7 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 176.5 | -83.2 | -17.6 | 0 | 0 | 0 | 112 | M84 Q85 R90 L91 A92 | M84-N88 WeakPolarHBondContact O-CB 3.33Å; M84-N88 PolarHBondContact O-N 2.83Å; Q85-N88 PolarHBondContact O-N 2.83Å; Q85-N88 VanDerWaalsContact O-N 3.15Å; N88-R90 VanDerWaalsContact C-N 3.31Å; N88-R90 PolarHBondContact O-N 3.33Å; N88-L91 PolarHBondContact O-N 2.91Å; N88-A92 VanDerWaalsContact O-CB 3.32Å; N88-A92 WeakPolarHBondContact O-CB 3.39Å; N88-A92 PolarHBondContact O-N 3.32Å |
| 89 | D | 84.6 | Confident | 81.5 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 60% | 0.599 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -35.9 | 174.6 | -67 | -23.8 | 0 | 0 | 0 | 111 | Q85 S93 | Q85-D89 WeakPolarHBondContact O-CB 3.42Å; Q85-D89 VanDerWaalsContact O-CG 3.24Å; Q85-D89 PolarHBondContact O-N 2.76Å; D89-S93 WeakPolarHBondContact O-CB 3.18Å; D89-S93 PolarHBondContact O-N 3.33Å; D89-S93 PolarHBondContact O-OG 3.19Å |
| 90 | R | 84.4 | Confident | 83.2 | Confident | 173 Ų | 173 | 105.2 Ų | 105.2 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.9 | -35.5 | 172.7 | -165.7 | 169.8 | -177.8 | 174.7 | -0.6 | 112.4 | S86 L87 N88 S93 Y94 | S86-R90 VanDerWaalsContact O-CB 3.25Å; S86-R90 WeakPolarHBondContact O-CB 3.34Å; S86-R90 PolarHBondContact O-N 2.87Å; L87-R90 CarbonylContact O-C 3.56Å; L87-R90 PolarHBondContact O-N 2.78Å; N88-R90 VanDerWaalsContact C-N 3.31Å; N88-R90 PolarHBondContact O-N 3.33Å; R90-S93 VanDerWaalsContact CA-OG 3.31Å; R90-S93 WeakPolarHBondContact CA-OG 3.18Å; R90-S93 PolarHBondContact O-OG 3.38Å; R90-Y94 HydrophobicContact CG-CD2 4.48Å; R90-Y94 WeakPolarHBondContact O-CB 3.49Å; R90-Y94 PolarHBondContact O-N 2.81Å |
| 91 | L | 87.6 | Confident | 84.9 | Confident | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.5 | -38.8 | 176.3 | -163.4 | 147.7 | 0 | 0 | 0 | 111 | L87 N88 Y94 L95 | L87-L91 WeakPolarHBondContact O-CB 3.09Å; L87-L91 PolarHBondContact O-N 2.85Å; N88-L91 PolarHBondContact O-N 2.91Å; L91-Y94 PolarHBondContact O-N 3.42Å; L91-L95 HydrophobicContact CD2-CD1 3.55Å; L91-L95 HydrophobicContact CD2-CG 4.02Å; L91-L95 WeakPolarHBondContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.28Å; L91-L95 PolarHBondContact O-N 3.24Å |
| 92 | A | 87.2 | Confident | 86.1 | Confident | 44 Ų | 44 | 99.2 Ų | 99.2 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N88 Y94 L95 D96 | N88-A92 VanDerWaalsContact O-CB 3.32Å; N88-A92 WeakPolarHBondContact O-CB 3.39Å; N88-A92 PolarHBondContact O-N 3.32Å; A92-Y94 VanDerWaalsContact C-N 3.32Å; A92-Y94 PolarHBondContact O-N 2.79Å; A92-L95 PolarHBondContact O-N 3.37Å; A92-D96 PolarHBondContact O-N 2.82Å |
| 93 | S | 88.9 | Confident | 87.2 | Confident | 65 Ų | 65 | 97.6 Ų | 97.6 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 113 | D89 R90 R97 | D89-S93 WeakPolarHBondContact O-CB 3.18Å; D89-S93 PolarHBondContact O-N 3.33Å; D89-S93 PolarHBondContact O-OG 3.19Å; R90-S93 VanDerWaalsContact CA-OG 3.31Å; R90-S93 WeakPolarHBondContact CA-OG 3.18Å; R90-S93 PolarHBondContact O-OG 3.38Å; S93-R97 WeakPolarHBondContact O-CB 3.17Å; S93-R97 PolarHBondContact O-N 2.79Å |
| 94 | Y | 91 | Very high | 88.4 | Confident | 155 Ų | 155 | 98.9 Ų | 98.9 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | 170.3 | -111.1 | -86.7 | 0 | 0 | 0 | 112.2 | R90 L91 A92 R97 V98 | R90-Y94 HydrophobicContact CG-CD2 4.48Å; R90-Y94 WeakPolarHBondContact O-CB 3.49Å; R90-Y94 PolarHBondContact O-N 2.81Å; L91-Y94 PolarHBondContact O-N 3.42Å; A92-Y94 VanDerWaalsContact C-N 3.32Å; A92-Y94 PolarHBondContact O-N 2.79Å; Y94-R97 PolarHBondContact O-N 2.76Å; Y94-V98 VanDerWaalsContact O-CG2 3.32Å; Y94-V98 WeakPolarHBondContact O-CG2 3.34Å; Y94-V98 PolarHBondContact O-N 2.67Å |
| 95 | L | 91.8 | Very high | 89.3 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 45% | 0.45 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 177.6 | -76.9 | 173.9 | 0 | 0 | 0 | 111.7 | L91 A92 R97 V98 R99 | L91-L95 HydrophobicContact CD2-CD1 3.55Å; L91-L95 HydrophobicContact CD2-CG 4.02Å; L91-L95 WeakPolarHBondContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.28Å; L91-L95 PolarHBondContact O-N 3.24Å; A92-L95 PolarHBondContact O-N 3.37Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-V98 PolarHBondContact O-N 2.81Å; L95-R99 WeakPolarHBondContact O-CB 3.29Å; L95-R99 VanDerWaalsContact O-CG 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.45Å; L95-R99 PolarHBondContact O-N 3.3Å |
| 96 | D | 93 | Very high | 90 | Very high | 95 Ų | 95 | 100.4 Ų | 100.4 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 174.6 | -75.4 | -19.9 | 0 | 0 | 0 | 111.6 | A92 R99 S100 | A92-D96 PolarHBondContact O-N 2.82Å; D96-R99 PolarHBondContact O-N 3.02Å; D96-S100 PolarHBondContact O-N 3.4Å |
| 97 | R | 91.9 | Very high | 90.7 | Very high | 152 Ų | 152 | 103.8 Ų | 103.8 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.8 | -39.5 | 173.9 | -171.2 | 63.8 | -179.3 | -176 | 5.2 | 112.5 | S93 Y94 L95 S100 L101 | S93-R97 WeakPolarHBondContact O-CB 3.17Å; S93-R97 PolarHBondContact O-N 2.79Å; Y94-R97 PolarHBondContact O-N 2.76Å; L95-R97 VanDerWaalsContact C-N 3.32Å; R97-S100 PolarHBondContact O-N 2.79Å; R97-S100 PolarHBondContact O-OG 3.36Å; R97-S100 VanDerWaalsContact O-OG 3.04Å; R97-L101 HydrophobicContact CG-CD1 4.17Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 VanDerWaalsContact O-CG 3.24Å; R97-L101 WeakPolarHBondContact O-CG 3.24Å; R97-L101 PolarHBondContact O-N 2.81Å |
| 98 | V | 93.9 | Very high | 91.2 | Very high | 64 Ų | 64 | 102.8 Ų | 102.8 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 175 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | Y94 L95 S100 L101 E102 | Y94-V98 VanDerWaalsContact O-CG2 3.32Å; Y94-V98 WeakPolarHBondContact O-CG2 3.34Å; Y94-V98 PolarHBondContact O-N 2.67Å; L95-V98 PolarHBondContact O-N 2.81Å; V98-S100 PolarHBondContact O-N 3.4Å; V98-L101 PolarHBondContact O-N 2.88Å; V98-E102 HydrophobicContact CG1-CG 4.4Å; V98-E102 WeakPolarHBondContact O-CB 3.45Å; V98-E102 WeakPolarHBondContact O-CG 3.46Å; V98-E102 PolarHBondContact O-N 3.41Å |
| 99 | R | 92.3 | Very high | 91.6 | Very high | 159 Ų | 159 | 102.6 Ų | 102.6 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 175 | -73 | 171.6 | 177.2 | 176.4 | -1.4 | 112.1 | L95 D96 E102 T103 | L95-R99 WeakPolarHBondContact O-CB 3.29Å; L95-R99 VanDerWaalsContact O-CG 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.45Å; L95-R99 PolarHBondContact O-N 3.3Å; D96-R99 PolarHBondContact O-N 3.02Å; R99-E102 PolarHBondContact O-N 3.18Å; R99-T103 WeakPolarHBondContact O-CG2 3.42Å; R99-T103 PolarHBondContact O-N 3.42Å; R99-T103 PolarHBondContact O-OG1 2.9Å |
| 100 | S | 93.8 | Very high | 92 | Very high | 37 Ų | 37 | 100.1 Ų | 100.1 | 26% | 0.259 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 177.5 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | D96 R97 V98 E102 T103 E104 | D96-S100 PolarHBondContact O-N 3.4Å; R97-S100 PolarHBondContact O-N 2.79Å; R97-S100 PolarHBondContact O-OG 3.36Å; R97-S100 VanDerWaalsContact O-OG 3.04Å; V98-S100 PolarHBondContact O-N 3.4Å; S100-E102 PolarHBondContact O-N 3.38Å; S100-T103 PolarHBondContact O-N 3.21Å; S100-T103 PolarHBondContact O-OG1 3.49Å; S100-E104 WeakPolarHBondContact O-CG 3.46Å; S100-E104 PolarHBondContact O-N 2.89Å |
| 101 | L | 93.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 96.2 Ų | 96.2 | 44% | 0.44 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.2 | -72.7 | 171.5 | 0 | 0 | 0 | 112.6 | R97 V98 T103 E104 N105 | R97-L101 HydrophobicContact CG-CD1 4.17Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 VanDerWaalsContact O-CG 3.24Å; R97-L101 WeakPolarHBondContact O-CG 3.24Å; R97-L101 PolarHBondContact O-N 2.81Å; V98-L101 PolarHBondContact O-N 2.88Å; L101-T103 VanDerWaalsContact C-N 3.35Å; L101-T103 PolarHBondContact O-N 2.84Å; L101-E104 PolarHBondContact O-N 2.82Å; L101-N105 VanDerWaalsContact O-CB 3.28Å; L101-N105 WeakPolarHBondContact O-CB 3.28Å; L101-N105 PolarHBondContact O-N 3.39Å |
| 102 | E | 93.5 | Very high | 92.6 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 43% | 0.425 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 174.8 | -77.5 | -179.9 | -172.8 | 0 | 0 | 111.8 | V98 R99 S100 N105 R106 | V98-E102 HydrophobicContact CG1-CG 4.4Å; V98-E102 WeakPolarHBondContact O-CB 3.45Å; V98-E102 WeakPolarHBondContact O-CG 3.46Å; V98-E102 PolarHBondContact O-N 3.41Å; R99-E102 PolarHBondContact O-N 3.18Å; S100-E102 PolarHBondContact O-N 3.38Å; E102-N105 PolarHBondContact O-N 2.88Å; E102-R106 WeakPolarHBondContact O-CG 3.35Å; E102-R106 PolarHBondContact O-N 2.95Å; E102-R106 IonicContact OE2-NH2 2.62Å; E102-R106 PolarHBondContact OE2-NH2 2.9Å |
| 103 | T | 93.6 | Very high | 92.6 | Very high | 85 Ų | 85 | 101.5 Ų | 101.5 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.9 | 61 | 0 | 0 | 0 | 0 | 112.1 | R99 S100 L101 R107 | R99-T103 WeakPolarHBondContact O-CG2 3.42Å; R99-T103 PolarHBondContact O-N 3.42Å; R99-T103 PolarHBondContact O-OG1 2.9Å; S100-T103 PolarHBondContact O-N 3.21Å; S100-T103 PolarHBondContact O-OG1 3.49Å; L101-T103 VanDerWaalsContact C-N 3.35Å; L101-T103 PolarHBondContact O-N 2.84Å; T103-R107 WeakPolarHBondContact O-CB 3.3Å; T103-R107 PolarHBondContact O-N 3.36Å |
| 104 | E | 94.4 | Very high | 92.7 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.8 | -74.9 | -176.9 | 172.5 | 0 | 0 | 111.6 | S100 L101 R107 L108 | S100-E104 WeakPolarHBondContact O-CG 3.46Å; S100-E104 PolarHBondContact O-N 2.89Å; L101-E104 PolarHBondContact O-N 2.82Å; E104-R107 WeakPolarHBondContact O-CB 3.31Å; E104-R107 PolarHBondContact O-N 3.45Å; E104-L108 WeakPolarHBondContact O-CG 3.41Å; E104-L108 PolarHBondContact O-N 3.2Å |
| 105 | N | 92.9 | Very high | 92.5 | Very high | 90 Ų | 90 | 101.3 Ų | 101.3 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 179.2 | -154.2 | 14.2 | 0 | 0 | 0 | 111.1 | L101 E102 R107 L108 E109 | L101-N105 VanDerWaalsContact O-CB 3.28Å; L101-N105 WeakPolarHBondContact O-CB 3.28Å; L101-N105 PolarHBondContact O-N 3.39Å; E102-N105 PolarHBondContact O-N 2.88Å; N105-R107 PolarHBondContact O-N 3.28Å; N105-L108 PolarHBondContact O-N 2.95Å; N105-L108 VanDerWaalsContact O-N 3.1Å; N105-E109 WeakPolarHBondContact O-CG 3.31Å; N105-E109 PolarHBondContact O-N 2.85Å |
| 106 | R | 94.3 | Very high | 92.1 | Very high | 149 Ų | 149 | 102.8 Ų | 102.8 | 56% | 0.562 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.6 | -36 | 173 | -71.6 | 178.6 | -162.1 | 156.2 | 12.4 | 112.5 | E102 S110 | E102-R106 WeakPolarHBondContact O-CG 3.35Å; E102-R106 PolarHBondContact O-N 2.95Å; E102-R106 IonicContact OE2-NH2 2.62Å; E102-R106 PolarHBondContact OE2-NH2 2.9Å; R106-S110 WeakPolarHBondContact O-CB 3.45Å; R106-S110 PolarHBondContact O-N 2.92Å; R106-S110 VanDerWaalsContact O-N 3.1Å; R106-S110 PolarHBondContact O-OG 2.93Å |
| 107 | R | 95.4 | Very high | 91.5 | Very high | 139 Ų | 139 | 106.1 Ų | 106.1 | 53% | 0.525 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 175.5 | -166.7 | -170.2 | 76.4 | 126 | -3 | 111.5 | T103 E104 N105 S110 K111 | T103-R107 WeakPolarHBondContact O-CB 3.3Å; T103-R107 PolarHBondContact O-N 3.36Å; E104-R107 WeakPolarHBondContact O-CB 3.31Å; E104-R107 PolarHBondContact O-N 3.45Å; N105-R107 PolarHBondContact O-N 3.28Å; R107-S110 PolarHBondContact O-N 2.92Å; R107-K111 WeakPolarHBondContact O-CG 3.32Å; R107-K111 PolarHBondContact O-N 2.86Å |
| 108 | L | 94.3 | Very high | 91 | Very high | 86 Ų | 86 | 106 Ų | 106 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 177.7 | -72 | 173 | 0 | 0 | 0 | 111.6 | E104 N105 S110 K111 I112 | E104-L108 WeakPolarHBondContact O-CG 3.41Å; E104-L108 PolarHBondContact O-N 3.2Å; N105-L108 PolarHBondContact O-N 2.95Å; N105-L108 VanDerWaalsContact O-N 3.1Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 3.37Å; L108-K111 PolarHBondContact O-N 2.78Å; L108-K111 VanDerWaalsContact O-N 3.16Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 3.38Å |
| 109 | E | 92.3 | Very high | 90 | Very high | 90 Ų | 90 | 110.2 Ų | 110.2 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 174.6 | -74 | 174.8 | 179.4 | 0 | 0 | 112.5 | N105 I112 R113 | N105-E109 WeakPolarHBondContact O-CG 3.31Å; N105-E109 PolarHBondContact O-N 2.85Å; E109-I112 PolarHBondContact O-N 2.93Å; E109-R113 PolarHBondContact O-N 3.34Å; E109-R113 PolarHBondContact O-NE 3.43Å |
| 110 | S | 93.1 | Very high | 88.9 | Confident | 59 Ų | 59 | 104.6 Ų | 104.6 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | R106 R107 L108 R113 E114 | R106-S110 WeakPolarHBondContact O-CB 3.45Å; R106-S110 PolarHBondContact O-N 2.92Å; R106-S110 VanDerWaalsContact O-N 3.1Å; R106-S110 PolarHBondContact O-OG 2.93Å; R107-S110 PolarHBondContact O-N 2.92Å; L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 3.37Å; S110-R113 PolarHBondContact O-N 3.28Å; S110-E114 WeakPolarHBondContact O-CB 3.42Å; S110-E114 PolarHBondContact O-N 3.42Å |
| 111 | K | 94.1 | Very high | 87.6 | Confident | 92 Ų | 92 | 108.7 Ų | 108.7 | 40% | 0.4 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.8 | -73.8 | -178.7 | 178.2 | -167 | 0 | 113 | R107 L108 H115 | R107-K111 WeakPolarHBondContact O-CG 3.32Å; R107-K111 PolarHBondContact O-N 2.86Å; L108-K111 PolarHBondContact O-N 2.78Å; L108-K111 VanDerWaalsContact O-N 3.16Å; K111-H115 WeakPolarHBondContact O-CB 3.26Å; K111-H115 PolarHBondContact O-N 2.96Å |
| 112 | I | 90.3 | Very high | 86.2 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 176.6 | -70.8 | 165.4 | 0 | 0 | 0 | 109.8 | L108 E109 H115 L116 | L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.38Å; L108-I112 PolarHBondContact O-N 3.38Å; E109-I112 PolarHBondContact O-N 2.93Å; I112-H115 PolarHBondContact O-N 3.41Å; I112-L116 HydrophobicContact CG2-CD1 3.87Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 WeakPolarHBondContact O-CB 3.42Å; I112-L116 VanDerWaalsContact O-CG 3.31Å; I112-L116 WeakPolarHBondContact O-CG 3.42Å; I112-L116 PolarHBondContact O-N 2.88Å |
| 113 | R | 87.9 | Confident | 84.9 | Confident | 153 Ų | 153 | 114.3 Ų | 114.3 | 58% | 0.577 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.9 | -48.2 | 175.4 | -82.6 | -178.4 | -79.7 | 155.8 | -8.7 | 112 | E109 S110 H115 L116 E117 | E109-R113 PolarHBondContact O-N 3.34Å; E109-R113 PolarHBondContact O-NE 3.43Å; S110-R113 PolarHBondContact O-N 3.28Å; R113-H115 VanDerWaalsContact C-N 3.28Å; R113-H115 PolarHBondContact O-N 2.84Å; R113-L116 PolarHBondContact O-N 3Å; R113-L116 VanDerWaalsContact O-N 3.17Å; R113-E117 WeakPolarHBondContact O-CB 3.39Å; R113-E117 PolarHBondContact O-N 2.6Å |
| 114 | E | 90 | Very high | 84 | Confident | 95 Ų | 95 | 118.5 Ų | 118.5 | 44% | 0.444 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.9 | -38.9 | 176.4 | -171.1 | -172.5 | 172.6 | 0 | 0 | 111.8 | S110 K118 | S110-E114 WeakPolarHBondContact O-CB 3.42Å; S110-E114 PolarHBondContact O-N 3.42Å; E114-K118 HydrophobicContact CG-CD 4.33Å; E114-K118 WeakPolarHBondContact O-CB 3.33Å; E114-K118 VanDerWaalsContact O-CG 3.27Å; E114-K118 WeakPolarHBondContact O-CG 3.3Å; E114-K118 PolarHBondContact O-N 3.48Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.49Å; E114-K118 IonicContact OE1-NZ 3.66Å; E114-K118 PolarHBondContact OE1-NZ 2.86Å |
| 115 | H | 86.2 | Confident | 83.1 | Confident | 122 Ų | 122 | 120.1 Ų | 120.1 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -35.3 | 176.8 | -118.7 | -64.7 | 0 | 0 | 0 | 113.4 | K111 I112 R113 K119 | K111-H115 WeakPolarHBondContact O-CB 3.26Å; K111-H115 PolarHBondContact O-N 2.96Å; I112-H115 PolarHBondContact O-N 3.41Å; R113-H115 VanDerWaalsContact C-N 3.28Å; R113-H115 PolarHBondContact O-N 2.84Å; H115-K119 WeakPolarHBondContact O-CB 3.3Å; H115-K119 VanDerWaalsContact O-CG 3.3Å; H115-K119 WeakPolarHBondContact O-CG 3.33Å; H115-K119 PolarHBondContact O-N 2.67Å; H115-K119 VanDerWaalsContact O-N 3.13Å |
| 116 | L | 83.1 | Confident | 82.6 | Confident | 116 Ų | 116 | 122.3 Ų | 122.3 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.8 | -40 | 177 | -73 | 169.6 | 0 | 0 | 0 | 111.2 | I112 R113 K119 | I112-L116 HydrophobicContact CG2-CD1 3.87Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 WeakPolarHBondContact O-CB 3.42Å; I112-L116 VanDerWaalsContact O-CG 3.31Å; I112-L116 WeakPolarHBondContact O-CG 3.42Å; I112-L116 PolarHBondContact O-N 2.88Å; R113-L116 PolarHBondContact O-N 3Å; R113-L116 VanDerWaalsContact O-N 3.17Å; L116-K119 CarbonylContact O-C 3.54Å; L116-K119 PolarHBondContact O-N 2.7Å |
| 117 | E | 81.9 | Confident | 82.3 | Confident | 165 Ų | 165 | 119.3 Ų | 119.3 | 77% | 0.771 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -39.8 | 176.6 | -165.9 | 174 | -170 | 0 | 0 | 111.7 | R113 K119 G120 | R113-E117 WeakPolarHBondContact O-CB 3.39Å; R113-E117 PolarHBondContact O-N 2.6Å; E117-K119 VanDerWaalsContact C-N 3.29Å; E117-K119 PolarHBondContact O-N 3.27Å; E117-G120 PolarHBondContact O-N 3.41Å |
| 118 | K | 81 | Confident | 81.9 | Confident | 151 Ų | 151 | 118.9 Ų | 118.9 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.8 | -27.8 | 171.7 | -73.3 | 176.2 | -174.6 | 173.7 | 0 | 113.2 | E114 G120 | E114-K118 HydrophobicContact CG-CD 4.33Å; E114-K118 WeakPolarHBondContact O-CB 3.33Å; E114-K118 VanDerWaalsContact O-CG 3.27Å; E114-K118 WeakPolarHBondContact O-CG 3.3Å; E114-K118 PolarHBondContact O-N 3.48Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.49Å; E114-K118 IonicContact OE1-NZ 3.66Å; E114-K118 PolarHBondContact OE1-NZ 2.86Å; K118-G120 PolarHBondContact O-N 2.97Å |
| 119 | K | 73.4 | Confident | 81.7 | Confident | 152 Ų | 152 | 121 Ų | 121 | 66% | 0.661 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 45.7 | 174 | -77.3 | -176.6 | 174.1 | -174.7 | 0 | 111.3 | H115 L116 E117 | H115-K119 WeakPolarHBondContact O-CB 3.3Å; H115-K119 VanDerWaalsContact O-CG 3.3Å; H115-K119 WeakPolarHBondContact O-CG 3.33Å; H115-K119 PolarHBondContact O-N 2.67Å; H115-K119 VanDerWaalsContact O-N 3.13Å; L116-K119 CarbonylContact O-C 3.54Å; L116-K119 PolarHBondContact O-N 2.7Å; E117-K119 VanDerWaalsContact C-N 3.29Å; E117-K119 PolarHBondContact O-N 3.27Å |
| 120 | G | 68.9 | Low | 81.7 | Confident | 40 Ų | 40 | 122.9 Ų | 122.9 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | trans | -42.6 | 156.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E117 K118 Q122 | E117-G120 PolarHBondContact O-N 3.41Å; K118-G120 PolarHBondContact O-N 2.97Å; G120-Q122 PolarHBondContact O-N 3.44Å | ||
| 121 | P | 65.9 | Low | 81.7 | Confident | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 60% | 0.604 | S | S | * | * | trans | -54 | 111.2 | -164.4 | 21.3 | -31.5 | 0 | 0 | 0 | 110.4 | V123 | P121-V123 HydrophobicContact CB-CG2 4.28Å; P121-V123 PolarHBondContact O-N 2.93Å | ||
| 122 | Q | 63.6 | Low | 81.8 | Confident | 180 Ų | 180 | 125.4 Ų | 125.4 | 84% | 0.841 | 60% | 0.602 | S | S | * | * | trans | -79.5 | 62.4 | -174.5 | -157.4 | 169 | 11.1 | 0 | 0 | 109.2 | G120 R124 | G120-Q122 PolarHBondContact O-N 3.44Å; Q122-R124 PolarHBondContact O-N 3.47Å; Q122-R124 VanDerWaalsContact O-N 3.1Å | ||
| 123 | V | 67 | Low | 82 | Confident | 113 Ų | 113 | 124 Ų | 124 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | trans | -78.9 | 93.8 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 106.4 | P121 D125 | P121-V123 HydrophobicContact CB-CG2 4.28Å; P121-V123 PolarHBondContact O-N 2.93Å; V123-D125 PolarHBondContact O-N 3.48Å | ||
| 124 | R | 73.4 | Confident | 82.5 | Confident | 174 Ų | 174 | 122.7 Ų | 122.7 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | trans | -79.3 | 108.8 | 172.7 | -166.7 | 83.6 | 153.9 | -156.1 | -5.3 | 106.9 | Q122 W126 | Q122-R124 PolarHBondContact O-N 3.47Å; Q122-R124 VanDerWaalsContact O-N 3.1Å; R124-W126 HydrophobicContact CB-CZ2 4.36Å; R124-W126 HydrophobicContact CG-CD2 4.44Å; R124-W126 HydrophobicContact CG-CH2 4.26Å; R124-W126 HydrophobicContact CG-CZ2 3.61Å; R124-W126 PolarHBondContact O-N 2.9Å; R124-W126 VanDerWaalsContact O-N 3.17Å; R124-W126 PolarHBondContact O-NE1 3.22Å | ||
| 125 | D | 76.7 | Confident | 82.8 | Confident | 132 Ų | 132 | 122.2 Ų | 122.2 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | trans | -71.8 | 109.1 | -179.5 | -71.4 | -23.8 | 0 | 0 | 0 | 111 | V123 | V123-D125 PolarHBondContact O-N 3.48Š| ||
| 126 | W | 81.9 | Confident | 83.4 | Confident | 137 Ų | 137 | 120.6 Ų | 120.6 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | trans | -93.8 | 3.9 | 176.9 | -61.8 | 106 | 0 | 0 | 0 | 113.3 | R124 H128 Y129 F130 | R124-W126 HydrophobicContact CB-CZ2 4.36Å; R124-W126 HydrophobicContact CG-CD2 4.44Å; R124-W126 HydrophobicContact CG-CH2 4.26Å; R124-W126 HydrophobicContact CG-CZ2 3.61Å; R124-W126 PolarHBondContact O-N 2.9Å; R124-W126 VanDerWaalsContact O-N 3.17Å; R124-W126 PolarHBondContact O-NE1 3.22Å; W126-H128 PolarHBondContact O-N 2.88Å; W126-H128 VanDerWaalsContact O-N 3.09Å; W126-Y129 AromaticContact CE3-CD2 3.5Å; W126-Y129 HydrophobicContact CE3-CD2 3.5Å; W126-Y129 AromaticContact CE3-CE2 3.4Å; W126-Y129 HydrophobicContact CE3-CE2 3.4Å; W126-Y129 VanDerWaalsContact CE3-CE2 3.4Å; W126-Y129 HydrophobicContact CZ3-CD2 4.13Å; W126-Y129 AromaticContact CZ3-CE2 3.57Å; W126-Y129 HydrophobicContact CZ3-CE2 3.57Å; W126-Y129 WeakPolarHBondContact O-CB 3.38Å; W126-Y129 PolarHBondContact O-N 2.9Å; W126-F130 HydrophobicContact CB-CE2 4.43Å | ||
| 127 | S | 87.4 | Confident | 84.1 | Confident | 85 Ų | 85 | 123.3 Ų | 123.3 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -53.9 | -34.1 | -171.6 | -54.1 | 0 | 0 | 0 | 0 | 114.4 | Y129 F130 | S127-Y129 VanDerWaalsContact C-N 3.34Å; S127-Y129 PolarHBondContact O-N 3.47Å; S127-F130 PolarHBondContact O-N 3.41Å |
| 128 | H | 87.1 | Confident | 84.8 | Confident | 130 Ų | 130 | 118.3 Ų | 118.3 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.2 | -33.8 | 178.1 | -175.5 | 58.9 | 0 | 0 | 0 | 113.3 | W126 F130 K131 I132 | W126-H128 PolarHBondContact O-N 2.88Å; W126-H128 VanDerWaalsContact O-N 3.09Å; H128-F130 VanDerWaalsContact C-N 3.34Å; H128-K131 PolarHBondContact O-N 3.24Å; H128-I132 PolarHBondContact O-N 2.82Å |
| 129 | Y | 90.5 | Very high | 85.6 | Confident | 132 Ų | 132 | 116.6 Ų | 116.6 | 52% | 0.518 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.7 | -32.7 | 178 | -68.2 | -80.9 | 0 | 0 | 0 | 112.1 | W126 S127 K131 I132 I133 | W126-Y129 AromaticContact CE3-CD2 3.5Å; W126-Y129 HydrophobicContact CE3-CD2 3.5Å; W126-Y129 AromaticContact CE3-CE2 3.4Å; W126-Y129 HydrophobicContact CE3-CE2 3.4Å; W126-Y129 VanDerWaalsContact CE3-CE2 3.4Å; W126-Y129 HydrophobicContact CZ3-CD2 4.13Å; W126-Y129 AromaticContact CZ3-CE2 3.57Å; W126-Y129 HydrophobicContact CZ3-CE2 3.57Å; W126-Y129 WeakPolarHBondContact O-CB 3.38Å; W126-Y129 PolarHBondContact O-N 2.9Å; S127-Y129 VanDerWaalsContact C-N 3.34Å; S127-Y129 PolarHBondContact O-N 3.47Å; Y129-K131 VanDerWaalsContact C-N 3.34Å; Y129-K131 PolarHBondContact O-N 3Å; Y129-I132 PolarHBondContact O-N 3.34Å; Y129-I133 WeakPolarHBondContact O-CB 3.29Å; Y129-I133 WeakPolarHBondContact O-CD1 3.42Å; Y129-I133 WeakPolarHBondContact O-CG1 3.33Å; Y129-I133 PolarHBondContact O-N 3.49Å |
| 130 | F | 91.9 | Very high | 86.8 | Confident | 129 Ų | 129 | 114.5 Ų | 114.5 | 57% | 0.566 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.5 | -42.4 | 176.3 | -69.1 | -58.9 | 0 | 0 | 0 | 111.7 | W126 S127 H128 I132 I133 E134 | W126-F130 HydrophobicContact CB-CE2 4.43Å; S127-F130 PolarHBondContact O-N 3.41Å; H128-F130 VanDerWaalsContact C-N 3.34Å; F130-I132 PolarHBondContact O-N 3.25Å; F130-I133 PolarHBondContact O-N 2.95Å; F130-E134 WeakPolarHBondContact O-CG 3.13Å; F130-E134 PolarHBondContact O-N 2.64Å |
| 131 | K | 93.9 | Very high | 88.2 | Confident | 135 Ų | 135 | 119.6 Ų | 119.6 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -45 | 175.7 | -171.4 | 172.4 | -178.3 | 177.8 | 0 | 112.1 | H128 Y129 I133 E134 D135 | H128-K131 PolarHBondContact O-N 3.24Å; Y129-K131 VanDerWaalsContact C-N 3.34Å; Y129-K131 PolarHBondContact O-N 3Å; K131-I133 VanDerWaalsContact C-N 3.34Å; K131-I133 PolarHBondContact O-N 2.93Å; K131-E134 PolarHBondContact O-N 3.3Å; K131-D135 VanDerWaalsContact O-CG 3.31Å; K131-D135 PolarHBondContact O-N 2.84Å |
| 132 | I | 95.6 | Very high | 89.7 | Confident | 69 Ų | 69 | 115.9 Ų | 115.9 | 35% | 0.354 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -41.8 | 176.4 | -63.6 | 167.6 | 0 | 0 | 0 | 111.1 | H128 Y129 F130 D135 L136 | H128-I132 PolarHBondContact O-N 2.82Å; Y129-I132 PolarHBondContact O-N 3.34Å; F130-I132 PolarHBondContact O-N 3.25Å; I132-D135 PolarHBondContact O-N 2.85Å; I132-L136 HydrophobicContact CG2-CD1 3.94Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 3.26Å; I132-L136 VanDerWaalsContact O-CG 3.28Å; I132-L136 WeakPolarHBondContact O-CG 3.36Å; I132-L136 PolarHBondContact O-N 2.69Å |
| 133 | I | 95.5 | Very high | 91.4 | Very high | 72 Ų | 72 | 112.2 Ų | 112.2 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 178.5 | -70.7 | 164.1 | 0 | 0 | 0 | 110.8 | Y129 F130 K131 R137 | Y129-I133 WeakPolarHBondContact O-CB 3.29Å; Y129-I133 WeakPolarHBondContact O-CD1 3.42Å; Y129-I133 WeakPolarHBondContact O-CG1 3.33Å; Y129-I133 PolarHBondContact O-N 3.49Å; F130-I133 PolarHBondContact O-N 2.95Å; K131-I133 VanDerWaalsContact C-N 3.34Å; K131-I133 PolarHBondContact O-N 2.93Å; I133-R137 HydrophobicContact CG2-CG 4.48Å; I133-R137 WeakPolarHBondContact O-CB 3.47Å; I133-R137 WeakPolarHBondContact O-CG 3.22Å; I133-R137 PolarHBondContact O-N 2.88Å |
| 134 | E | 96.8 | Very high | 92.9 | Very high | 125 Ų | 125 | 110.9 Ų | 110.9 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | 175.2 | -76.4 | 175.2 | 179.7 | 0 | 0 | 111.6 | F130 K131 L136 R137 A138 | F130-E134 WeakPolarHBondContact O-CG 3.13Å; F130-E134 PolarHBondContact O-N 2.64Å; K131-E134 PolarHBondContact O-N 3.3Å; E134-L136 VanDerWaalsContact C-N 3.34Å; E134-L136 PolarHBondContact O-N 2.91Å; E134-R137 PolarHBondContact O-N 3.5Å; E134-A138 PolarHBondContact O-N 3.35Å |
| 135 | D | 97.1 | Very high | 94.1 | Very high | 85 Ų | 85 | 106.1 Ų | 106.1 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.2 | -70.1 | -21.3 | 0 | 0 | 0 | 111.4 | K131 I132 A138 Q139 | K131-D135 VanDerWaalsContact O-CG 3.31Å; K131-D135 PolarHBondContact O-N 2.84Å; I132-D135 PolarHBondContact O-N 2.85Å; D135-A138 PolarHBondContact O-N 2.93Å; D135-Q139 WeakPolarHBondContact O-CG 3.47Å; D135-Q139 PolarHBondContact O-N 2.96Å |
| 136 | L | 97.8 | Very high | 95.1 | Very high | 88 Ų | 88 | 103.7 Ų | 103.7 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 176 | -74.2 | 172.4 | 0 | 0 | 0 | 112.2 | I132 E134 A138 Q139 I140 | I132-L136 HydrophobicContact CG2-CD1 3.94Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 3.26Å; I132-L136 VanDerWaalsContact O-CG 3.28Å; I132-L136 WeakPolarHBondContact O-CG 3.36Å; I132-L136 PolarHBondContact O-N 2.69Å; E134-L136 VanDerWaalsContact C-N 3.34Å; E134-L136 PolarHBondContact O-N 2.91Å; L136-A138 VanDerWaalsContact C-N 3.35Å; L136-Q139 PolarHBondContact O-N 3.46Å; L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.25Å; L136-I140 PolarHBondContact O-N 2.84Å |
| 137 | R | 97.7 | Very high | 95.9 | Very high | 173 Ų | 173 | 102 Ų | 102 | 65% | 0.653 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 175.4 | -76.7 | 171.4 | 177.2 | -171.4 | 0.1 | 111.4 | I133 E134 I140 F141 | I133-R137 HydrophobicContact CG2-CG 4.48Å; I133-R137 WeakPolarHBondContact O-CB 3.47Å; I133-R137 WeakPolarHBondContact O-CG 3.22Å; I133-R137 PolarHBondContact O-N 2.88Å; E134-R137 PolarHBondContact O-N 3.5Å; R137-I140 PolarHBondContact O-N 3.26Å; R137-F141 WeakPolarHBondContact O-CB 3.18Å; R137-F141 PolarHBondContact O-N 3.38Å |
| 138 | A | 97.9 | Very high | 96.4 | Very high | 59 Ų | 59 | 100.6 Ų | 100.6 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | E134 D135 L136 F141 A142 | E134-A138 PolarHBondContact O-N 3.35Å; D135-A138 PolarHBondContact O-N 2.93Å; L136-A138 VanDerWaalsContact C-N 3.35Å; A138-F141 PolarHBondContact O-N 3.42Å; A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 3.38Å |
| 139 | Q | 98.3 | Very high | 96.9 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 175.1 | -72.3 | 175.9 | 32.8 | 0 | 0 | 112.4 | D135 L136 F141 A142 N143 | D135-Q139 WeakPolarHBondContact O-CG 3.47Å; D135-Q139 PolarHBondContact O-N 2.96Å; L136-Q139 PolarHBondContact O-N 3.46Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.44Å; Q139-A142 PolarHBondContact O-N 3.44Å; Q139-N143 WeakPolarHBondContact O-CB 3.46Å; Q139-N143 VanDerWaalsContact O-CG 3.24Å; Q139-N143 PolarHBondContact O-N 2.95Å; Q139-N143 PolarHBondContact O-ND2 2.95Å |
| 140 | I | 98.1 | Very high | 97.3 | Very high | 108 Ų | 108 | 99.7 Ų | 99.7 | 55% | 0.554 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 175.9 | -70.5 | 165.5 | 0 | 0 | 0 | 110.3 | L136 R137 N143 T144 | L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.25Å; L136-I140 PolarHBondContact O-N 2.84Å; R137-I140 PolarHBondContact O-N 3.26Å; I140-N143 PolarHBondContact O-N 2.92Å; I140-T144 WeakPolarHBondContact O-CB 3.48Å; I140-T144 PolarHBondContact O-N 2.92Å; I140-T144 PolarHBondContact O-OG1 2.99Å |
| 141 | F | 98.1 | Very high | 97.5 | Very high | 147 Ų | 147 | 96.7 Ų | 96.7 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -48.9 | 178.4 | -179.5 | -98.2 | 0 | 0 | 0 | 111.8 | R137 A138 Q139 N143 T144 V145 | R137-F141 WeakPolarHBondContact O-CB 3.18Å; R137-F141 PolarHBondContact O-N 3.38Å; A138-F141 PolarHBondContact O-N 3.42Å; Q139-F141 VanDerWaalsContact C-N 3.3Å; Q139-F141 PolarHBondContact O-N 3.44Å; F141-N143 PolarHBondContact O-N 3.48Å; F141-T144 WeakPolarHBondContact O-CB 3.36Å; F141-T144 PolarHBondContact O-N 2.92Å; F141-T144 VanDerWaalsContact O-N 3.11Å; F141-V145 HydrophobicContact CD1-CG2 4.36Å; F141-V145 HydrophobicContact CE1-CG2 3.92Å; F141-V145 HydrophobicContact CE2-CG2 4.33Å; F141-V145 HydrophobicContact CZ-CG2 3.9Å; F141-V145 WeakPolarHBondContact O-CG2 3.34Å; F141-V145 PolarHBondContact O-N 3.44Å |
| 142 | A | 98.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 96.1 Ų | 96.1 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.8 | -48.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A138 Q139 T144 V145 D146 | A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 3.38Å; Q139-A142 PolarHBondContact O-N 3.44Å; A142-T144 VanDerWaalsContact C-N 3.28Å; A142-T144 PolarHBondContact O-N 2.92Å; A142-V145 PolarHBondContact O-N 2.83Å; A142-D146 PolarHBondContact O-N 2.85Å |
| 143 | N | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 98 Ų | 98 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -34.8 | 176.9 | -72.1 | -25.4 | 0 | 0 | 0 | 112.7 | Q139 I140 F141 N147 | Q139-N143 WeakPolarHBondContact O-CB 3.46Å; Q139-N143 VanDerWaalsContact O-CG 3.24Å; Q139-N143 PolarHBondContact O-N 2.95Å; Q139-N143 PolarHBondContact O-ND2 2.95Å; I140-N143 PolarHBondContact O-N 2.92Å; F141-N143 PolarHBondContact O-N 3.48Å; N143-N147 WeakPolarHBondContact O-CB 3.42Å; N143-N147 PolarHBondContact O-N 2.93Å |
| 144 | T | 98.3 | Very high | 97.9 | Very high | 86 Ų | 86 | 98.3 Ų | 98.3 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 111 | I140 F141 A142 N147 A148 | I140-T144 WeakPolarHBondContact O-CB 3.48Å; I140-T144 PolarHBondContact O-N 2.92Å; I140-T144 PolarHBondContact O-OG1 2.99Å; F141-T144 WeakPolarHBondContact O-CB 3.36Å; F141-T144 PolarHBondContact O-N 2.92Å; F141-T144 VanDerWaalsContact O-N 3.11Å; A142-T144 VanDerWaalsContact C-N 3.28Å; A142-T144 PolarHBondContact O-N 2.92Å; T144-N147 PolarHBondContact O-N 2.98Å; T144-A148 PolarHBondContact O-N 3.31Å |
| 145 | V | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | F141 A142 N147 A148 R149 | F141-V145 HydrophobicContact CD1-CG2 4.36Å; F141-V145 HydrophobicContact CE1-CG2 3.92Å; F141-V145 HydrophobicContact CE2-CG2 4.33Å; F141-V145 HydrophobicContact CZ-CG2 3.9Å; F141-V145 WeakPolarHBondContact O-CG2 3.34Å; F141-V145 PolarHBondContact O-N 3.44Å; A142-V145 PolarHBondContact O-N 2.83Å; V145-N147 VanDerWaalsContact C-N 3.34Å; V145-N147 PolarHBondContact O-N 2.81Å; V145-A148 PolarHBondContact O-N 2.99Å; V145-R149 PolarHBondContact O-N 3.31Å |
| 146 | D | 98.4 | Very high | 98 | Very high | 80 Ų | 80 | 97 Ų | 97 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 177.4 | -75.5 | -24.6 | 0 | 0 | 0 | 111.8 | A142 R149 I150 | A142-D146 PolarHBondContact O-N 2.85Å; D146-R149 WeakPolarHBondContact O-CB 3.25Å; D146-R149 PolarHBondContact O-N 3.47Å; D146-I150 VanDerWaalsContact O-CG1 3.32Å; D146-I150 WeakPolarHBondContact O-CG1 3.42Å; D146-I150 PolarHBondContact O-N 3.35Å |
| 147 | N | 98.2 | Very high | 98 | Very high | 101 Ų | 101 | 95.7 Ų | 95.7 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 174.6 | -165.7 | -3.6 | 0 | 0 | 0 | 111.1 | N143 T144 V145 R149 I150 V151 | N143-N147 WeakPolarHBondContact O-CB 3.42Å; N143-N147 PolarHBondContact O-N 2.93Å; T144-N147 PolarHBondContact O-N 2.98Å; V145-N147 VanDerWaalsContact C-N 3.34Å; V145-N147 PolarHBondContact O-N 2.81Å; N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 2.98Å; N147-I150 PolarHBondContact O-N 3Å; N147-V151 WeakPolarHBondContact O-CG2 3.35Å; N147-V151 PolarHBondContact O-N 3.39Å |
| 148 | A | 97.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T144 V145 V151 L152 | T144-A148 PolarHBondContact O-N 3.31Å; V145-A148 PolarHBondContact O-N 2.99Å; A148-V151 PolarHBondContact O-N 3.37Å; A148-L152 WeakPolarHBondContact O-CG 3.31Å; A148-L152 PolarHBondContact O-N 3.15Å; A148-L152 VanDerWaalsContact O-N 3.08Å |
| 149 | R | 98.4 | Very high | 97.8 | Very high | 156 Ų | 156 | 97.7 Ų | 97.7 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -44.8 | 174.8 | 179.5 | -176.5 | 176 | 179.4 | 1.7 | 112.2 | V145 D146 N147 L152 Q153 | V145-R149 PolarHBondContact O-N 3.31Å; D146-R149 WeakPolarHBondContact O-CB 3.25Å; D146-R149 PolarHBondContact O-N 3.47Å; N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 2.98Å; R149-L152 PolarHBondContact O-N 3.43Å; R149-Q153 WeakPolarHBondContact O-CG 3.48Å; R149-Q153 PolarHBondContact O-N 2.67Å |
| 150 | I | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 45% | 0.451 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 178.8 | -70.1 | 166.3 | 0 | 0 | 0 | 110.5 | D146 N147 L152 Q153 I154 | D146-I150 VanDerWaalsContact O-CG1 3.32Å; D146-I150 WeakPolarHBondContact O-CG1 3.42Å; D146-I150 PolarHBondContact O-N 3.35Å; N147-I150 PolarHBondContact O-N 3Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 2.97Å; I150-Q153 WeakPolarHBondContact O-CB 3.21Å; I150-Q153 PolarHBondContact O-N 3.19Å; I150-Q153 VanDerWaalsContact O-N 3.13Å; I150-I154 HydrophobicContact CG2-CD1 3.83Å; I150-I154 HydrophobicContact CG2-CG1 4.36Å; I150-I154 WeakPolarHBondContact O-CG1 3.25Å; I150-I154 PolarHBondContact O-N 2.92Å |
| 151 | V | 97.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 91.5 Ų | 91.5 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 176 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | N147 A148 Q153 I154 D155 | N147-V151 WeakPolarHBondContact O-CG2 3.35Å; N147-V151 PolarHBondContact O-N 3.39Å; A148-V151 PolarHBondContact O-N 3.37Å; V151-Q153 VanDerWaalsContact C-N 3.32Å; V151-Q153 PolarHBondContact O-N 2.92Å; V151-I154 WeakPolarHBondContact O-CB 2.95Å; V151-I154 PolarHBondContact O-N 3.24Å; V151-I154 VanDerWaalsContact O-N 3.17Å; V151-D155 PolarHBondContact O-N 2.89Å |
| 152 | L | 98.2 | Very high | 97.5 | Very high | 122 Ų | 122 | 88.1 Ų | 88.1 | 64% | 0.639 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -38.3 | 175.8 | -69.9 | 174.3 | 0 | 0 | 0 | 112.8 | A148 R149 I150 D155 N156 | A148-L152 WeakPolarHBondContact O-CG 3.31Å; A148-L152 PolarHBondContact O-N 3.15Å; A148-L152 VanDerWaalsContact O-N 3.08Å; R149-L152 PolarHBondContact O-N 3.43Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 2.97Å; L152-D155 PolarHBondContact O-N 2.82Å; L152-N156 WeakPolarHBondContact O-CB 3.21Å; L152-N156 PolarHBondContact O-N 3.35Å |
| 153 | Q | 98 | Very high | 97.5 | Very high | 109 Ų | 109 | 90.8 Ų | 90.8 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 175.4 | -73.1 | 179.4 | -24.4 | 0 | 0 | 112.1 | R149 I150 V151 N156 A157 | R149-Q153 WeakPolarHBondContact O-CG 3.48Å; R149-Q153 PolarHBondContact O-N 2.67Å; I150-Q153 WeakPolarHBondContact O-CB 3.21Å; I150-Q153 PolarHBondContact O-N 3.19Å; I150-Q153 VanDerWaalsContact O-N 3.13Å; V151-Q153 VanDerWaalsContact C-N 3.32Å; V151-Q153 PolarHBondContact O-N 2.92Å; Q153-N156 PolarHBondContact O-N 3.4Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.19Å |
| 154 | I | 97.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 92.8 Ų | 92.8 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 174.8 | -69.5 | 166.1 | 0 | 0 | 0 | 110.2 | I150 V151 N156 A157 R158 | I150-I154 HydrophobicContact CG2-CD1 3.83Å; I150-I154 HydrophobicContact CG2-CG1 4.36Å; I150-I154 WeakPolarHBondContact O-CG1 3.25Å; I150-I154 PolarHBondContact O-N 2.92Å; V151-I154 WeakPolarHBondContact O-CB 2.95Å; V151-I154 PolarHBondContact O-N 3.24Å; V151-I154 VanDerWaalsContact O-N 3.17Å; I154-N156 VanDerWaalsContact C-N 3.35Å; I154-N156 PolarHBondContact O-N 2.84Å; I154-A157 PolarHBondContact O-N 2.9Å; I154-R158 WeakPolarHBondContact O-CB 3.44Å; I154-R158 WeakPolarHBondContact O-CG 3.31Å; I154-R158 PolarHBondContact O-N 3.28Å |
| 155 | D | 98.1 | Very high | 97.3 | Very high | 69 Ų | 69 | 94.8 Ų | 94.8 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 179.7 | -70.3 | -19.5 | 0 | 0 | 0 | 111.2 | V151 L152 R158 L159 | V151-D155 PolarHBondContact O-N 2.89Å; L152-D155 PolarHBondContact O-N 2.82Å; D155-R158 PolarHBondContact O-N 2.94Å; D155-L159 WeakPolarHBondContact O-CG 3.44Å; D155-L159 PolarHBondContact O-N 2.91Å |
| 156 | N | 97.8 | Very high | 97.2 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | 173.9 | -172.9 | -86.6 | 0 | 0 | 0 | 112.2 | L152 Q153 I154 R158 L159 A160 | L152-N156 WeakPolarHBondContact O-CB 3.21Å; L152-N156 PolarHBondContact O-N 3.35Å; Q153-N156 PolarHBondContact O-N 3.4Å; I154-N156 VanDerWaalsContact C-N 3.35Å; I154-N156 PolarHBondContact O-N 2.84Å; N156-R158 VanDerWaalsContact C-N 3.32Å; N156-R158 PolarHBondContact O-N 2.88Å; N156-L159 PolarHBondContact O-N 3.48Å; N156-A160 WeakPolarHBondContact O-CB 3.32Å; N156-A160 PolarHBondContact O-N 3.14Å |
| 157 | A | 96.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 96.8 Ų | 96.8 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q153 I154 A161 | Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.19Å; I154-A157 PolarHBondContact O-N 2.9Å; A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 3Å |
| 158 | R | 95.8 | Very high | 97.1 | Very high | 159 Ų | 159 | 99.4 Ų | 99.4 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -48.3 | 174 | -76.7 | 174.9 | 173.6 | 173.7 | -3.1 | 111.8 | I154 D155 N156 A160 A161 D162 | I154-R158 WeakPolarHBondContact O-CB 3.44Å; I154-R158 WeakPolarHBondContact O-CG 3.31Å; I154-R158 PolarHBondContact O-N 3.28Å; D155-R158 PolarHBondContact O-N 2.94Å; N156-R158 VanDerWaalsContact C-N 3.32Å; N156-R158 PolarHBondContact O-N 2.88Å; R158-A160 VanDerWaalsContact C-N 3.32Å; R158-A160 PolarHBondContact O-N 3.34Å; R158-A161 WeakPolarHBondContact O-CB 3.3Å; R158-A161 PolarHBondContact O-N 2.87Å; R158-A161 VanDerWaalsContact O-N 3.15Å; R158-D162 PolarHBondContact O-N 3.39Å |
| 159 | L | 96.4 | Very high | 97 | Very high | 115 Ų | 115 | 101.2 Ų | 101.2 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -42.8 | 176.5 | -70.5 | 173.4 | 0 | 0 | 0 | 111.6 | D155 N156 A161 D162 D163 | D155-L159 WeakPolarHBondContact O-CG 3.44Å; D155-L159 PolarHBondContact O-N 2.91Å; N156-L159 PolarHBondContact O-N 3.48Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 3.33Å; L159-D162 PolarHBondContact O-N 3.43Å; L159-D163 PolarHBondContact O-N 3.41Å |
| 160 | A | 96.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 97.3 Ų | 97.3 | 30% | 0.298 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N156 R158 D163 F164 | N156-A160 WeakPolarHBondContact O-CB 3.32Å; N156-A160 PolarHBondContact O-N 3.14Å; R158-A160 VanDerWaalsContact C-N 3.32Å; R158-A160 PolarHBondContact O-N 3.34Å; A160-D163 PolarHBondContact O-N 3.32Å; A160-F164 WeakPolarHBondContact O-CD2 3.38Å; A160-F164 PolarHBondContact O-N 3.49Å |
| 161 | A | 95.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A157 R158 L159 F164 R165 | A157-A161 WeakPolarHBondContact O-CB 3.39Å; A157-A161 PolarHBondContact O-N 3Å; R158-A161 WeakPolarHBondContact O-CB 3.3Å; R158-A161 PolarHBondContact O-N 2.87Å; R158-A161 VanDerWaalsContact O-N 3.15Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 3.33Å; A161-F164 PolarHBondContact O-N 2.97Å; A161-R165 WeakPolarHBondContact O-CB 3.32Å; A161-R165 PolarHBondContact O-N 2.93Å |
| 162 | D | 95.7 | Very high | 96.6 | Very high | 77 Ų | 77 | 98 Ų | 98 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.3 | -80.7 | -35.4 | 0 | 0 | 0 | 112 | R158 L159 F164 R165 V166 | R158-D162 PolarHBondContact O-N 3.39Å; L159-D162 PolarHBondContact O-N 3.43Å; D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 2.91Å; D162-R165 WeakPolarHBondContact O-CB 3.49Å; D162-R165 PolarHBondContact O-N 2.89Å; D162-R165 VanDerWaalsContact O-N 3.16Å; D162-R165 IonicContact OD1-NE 2.64Å; D162-R165 IonicContact OD1-NH2 3.66Å; D162-V166 WeakPolarHBondContact O-CG2 3.36Å; D162-V166 PolarHBondContact O-N 3.28Å |
| 163 | D | 97.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 173.3 | -84.9 | -1.7 | 0 | 0 | 0 | 111.7 | L159 A160 K167 | L159-D163 PolarHBondContact O-N 3.41Å; A160-D163 PolarHBondContact O-N 3.32Å; D163-K167 WeakPolarHBondContact O-CB 3.32Å; D163-K167 VanDerWaalsContact O-CG 3.25Å; D163-K167 WeakPolarHBondContact O-CG 3.37Å; D163-K167 PolarHBondContact O-N 2.91Å |
| 164 | F | 96.6 | Very high | 96.3 | Very high | 144 Ų | 144 | 94.6 Ų | 94.6 | 63% | 0.632 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.3 | -36.4 | 175.8 | -72.8 | -53.4 | 0 | 0 | 0 | 112.6 | A160 A161 D162 K167 Y168 | A160-F164 WeakPolarHBondContact O-CD2 3.38Å; A160-F164 PolarHBondContact O-N 3.49Å; A161-F164 PolarHBondContact O-N 2.97Å; D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 2.91Å; F164-K167 PolarHBondContact O-N 3.02Å; F164-Y168 VanDerWaalsContact O-CB 3.31Å; F164-Y168 WeakPolarHBondContact O-CB 3.44Å; F164-Y168 PolarHBondContact O-N 3.36Å |
| 165 | R | 97.1 | Very high | 96.3 | Very high | 128 Ų | 128 | 96.6 Ų | 96.6 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 175.9 | -175.8 | 177.9 | 69.1 | 88.4 | -3.6 | 111 | A161 D162 K167 Y168 E169 | A161-R165 WeakPolarHBondContact O-CB 3.32Å; A161-R165 PolarHBondContact O-N 2.93Å; D162-R165 WeakPolarHBondContact O-CB 3.49Å; D162-R165 PolarHBondContact O-N 2.89Å; D162-R165 VanDerWaalsContact O-N 3.16Å; D162-R165 IonicContact OD1-NE 2.64Å; D162-R165 IonicContact OD1-NH2 3.66Å; R165-K167 PolarHBondContact O-N 3.07Å; R165-Y168 PolarHBondContact O-N 2.99Å; R165-E169 WeakPolarHBondContact CG-OE1 3.27Å; R165-E169 IonicContact CZ-OE1 2.73Å; R165-E169 IonicContact NH1-OE1 3.68Å; R165-E169 PolarHBondContact NH1-OE1 3.3Å; R165-E169 IonicContact NH1-OE2 3.33Å; R165-E169 WeakPolarHBondContact O-CG 3.31Å; R165-E169 PolarHBondContact O-N 2.97Å |
| 166 | V | 95.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 97.9 Ų | 97.9 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | D162 Y168 E169 T170 | D162-V166 WeakPolarHBondContact O-CG2 3.36Å; D162-V166 PolarHBondContact O-N 3.28Å; V166-Y168 VanDerWaalsContact C-N 3.32Å; V166-Y168 PolarHBondContact O-N 3.22Å; V166-E169 PolarHBondContact O-N 3.41Å; V166-T170 HydrophobicContact CG1-CG2 4.48Å; V166-T170 WeakPolarHBondContact O-CG2 3.15Å; V166-T170 PolarHBondContact O-N 2.97Å; V166-T170 PolarHBondContact O-OG1 2.94Å |
| 167 | K | 97.9 | Very high | 96.2 | Very high | 124 Ų | 124 | 95.4 Ų | 95.4 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 176 | -74.9 | 171.9 | -175.3 | 171.1 | 0 | 112 | D163 F164 R165 T170 E171 | D163-K167 WeakPolarHBondContact O-CB 3.32Å; D163-K167 VanDerWaalsContact O-CG 3.25Å; D163-K167 WeakPolarHBondContact O-CG 3.37Å; D163-K167 PolarHBondContact O-N 2.91Å; F164-K167 PolarHBondContact O-N 3.02Å; R165-K167 PolarHBondContact O-N 3.07Å; K167-T170 WeakPolarHBondContact CA-OG1 3.4Å; K167-T170 PolarHBondContact O-N 2.99Å; K167-T170 PolarHBondContact O-OG1 3.41Å; K167-E171 WeakPolarHBondContact O-CB 3.26Å; K167-E171 PolarHBondContact O-N 2.9Å |
| 168 | Y | 96.4 | Very high | 96.3 | Very high | 155 Ų | 155 | 96.5 Ų | 96.5 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 176.8 | 172.4 | -99.3 | 0 | 0 | 0 | 112.2 | F164 R165 V166 T170 E171 L172 | F164-Y168 VanDerWaalsContact O-CB 3.31Å; F164-Y168 WeakPolarHBondContact O-CB 3.44Å; F164-Y168 PolarHBondContact O-N 3.36Å; R165-Y168 PolarHBondContact O-N 2.99Å; V166-Y168 VanDerWaalsContact C-N 3.32Å; V166-Y168 PolarHBondContact O-N 3.22Å; Y168-T170 VanDerWaalsContact C-N 3.34Å; Y168-T170 PolarHBondContact O-N 3.11Å; Y168-E171 PolarHBondContact O-N 2.8Å; Y168-L172 HydrophobicContact CE1-CD2 4.14Å; Y168-L172 VanDerWaalsContact O-CB 3.24Å; Y168-L172 WeakPolarHBondContact O-CB 3.42Å; Y168-L172 PolarHBondContact O-N 2.9Å |
| 169 | E | 95.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 92.2 Ų | 92.2 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.1 | -73.3 | 170.2 | -171.6 | 0 | 0 | 111.3 | R165 V166 L172 A173 | R165-E169 WeakPolarHBondContact CG-OE1 3.27Å; R165-E169 IonicContact CZ-OE1 2.73Å; R165-E169 IonicContact NH1-OE1 3.68Å; R165-E169 PolarHBondContact NH1-OE1 3.3Å; R165-E169 IonicContact NH1-OE2 3.33Å; R165-E169 WeakPolarHBondContact O-CG 3.31Å; R165-E169 PolarHBondContact O-N 2.97Å; V166-E169 PolarHBondContact O-N 3.41Å; E169-L172 PolarHBondContact O-N 3.36Å; E169-A173 WeakPolarHBondContact O-CB 3.47Å; E169-A173 PolarHBondContact O-N 3Å |
| 170 | T | 94.7 | Very high | 96.4 | Very high | 74 Ų | 74 | 92 Ų | 92 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | V166 K167 Y168 A173 M174 | V166-T170 HydrophobicContact CG1-CG2 4.48Å; V166-T170 WeakPolarHBondContact O-CG2 3.15Å; V166-T170 PolarHBondContact O-N 2.97Å; V166-T170 PolarHBondContact O-OG1 2.94Å; K167-T170 WeakPolarHBondContact CA-OG1 3.4Å; K167-T170 PolarHBondContact O-N 2.99Å; K167-T170 PolarHBondContact O-OG1 3.41Å; Y168-T170 VanDerWaalsContact C-N 3.34Å; Y168-T170 PolarHBondContact O-N 3.11Å; T170-A173 PolarHBondContact O-N 3.38Å; T170-M174 WeakPolarHBondContact O-CG 3.22Å; T170-M174 PolarHBondContact O-N 3.12Å |
| 171 | E | 95.6 | Very high | 96.5 | Very high | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 178.7 | -169.6 | 63.9 | -152.5 | 0 | 0 | 111 | K167 Y168 A173 M174 R175 | K167-E171 WeakPolarHBondContact O-CB 3.26Å; K167-E171 PolarHBondContact O-N 2.9Å; Y168-E171 PolarHBondContact O-N 2.8Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 2.95Å; E171-M174 PolarHBondContact O-N 2.89Å; E171-M174 WeakPolarHBondContact OE2-CE 3.45Å; E171-R175 VanDerWaalsContact O-CB 3.31Å; E171-R175 WeakPolarHBondContact O-CB 3.25Å; E171-R175 PolarHBondContact O-N 2.82Å |
| 172 | L | 95.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 95.9 Ų | 95.9 | 28% | 0.277 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.5 | 179.3 | 62.3 | 0 | 0 | 0 | 111.3 | Y168 E169 R175 Q176 | Y168-L172 HydrophobicContact CE1-CD2 4.14Å; Y168-L172 VanDerWaalsContact O-CB 3.24Å; Y168-L172 WeakPolarHBondContact O-CB 3.42Å; Y168-L172 PolarHBondContact O-N 2.9Å; E169-L172 PolarHBondContact O-N 3.36Å; L172-R175 PolarHBondContact O-N 2.64Å; L172-Q176 HydrophobicContact CD1-CG 4.4Å; L172-Q176 WeakPolarHBondContact O-CB 3.47Å; L172-Q176 VanDerWaalsContact O-CG 3.32Å; L172-Q176 WeakPolarHBondContact O-CG 3.28Å; L172-Q176 PolarHBondContact O-N 3.18Å |
| 173 | A | 94.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E169 T170 E171 Q176 S177 | E169-A173 WeakPolarHBondContact O-CB 3.47Å; E169-A173 PolarHBondContact O-N 3Å; T170-A173 PolarHBondContact O-N 3.38Å; E171-A173 VanDerWaalsContact C-N 3.35Å; E171-A173 PolarHBondContact O-N 2.95Å; A173-Q176 PolarHBondContact O-N 2.9Å; A173-S177 PolarHBondContact O-N 3.31Å |
| 174 | M | 96.5 | Very high | 96.8 | Very high | 104 Ų | 104 | 95.1 Ų | 95.1 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.8 | -70.9 | -170.6 | -63.2 | 0 | 0 | 111.6 | T170 E171 Q176 S177 V178 | T170-M174 WeakPolarHBondContact O-CG 3.22Å; T170-M174 PolarHBondContact O-N 3.12Å; E171-M174 PolarHBondContact O-N 2.89Å; E171-M174 WeakPolarHBondContact OE2-CE 3.45Å; M174-Q176 PolarHBondContact O-N 2.78Å; M174-S177 WeakPolarHBondContact O-CB 3.39Å; M174-S177 PolarHBondContact O-N 2.93Å; M174-V178 WeakPolarHBondContact O-CG2 3.34Å; M174-V178 PolarHBondContact O-N 3.49Å |
| 175 | R | 97.2 | Very high | 96.8 | Very high | 121 Ų | 121 | 93.6 Ų | 93.6 | 46% | 0.457 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 177.6 | -164.7 | -164.8 | 84.2 | 78.9 | 11.3 | 111.7 | E171 L172 V178 E179 | E171-R175 VanDerWaalsContact O-CB 3.31Å; E171-R175 WeakPolarHBondContact O-CB 3.25Å; E171-R175 PolarHBondContact O-N 2.82Å; L172-R175 PolarHBondContact O-N 2.64Å; R175-V178 PolarHBondContact O-N 2.9Å; R175-E179 IonicContact CZ-OE1 3.65Å; R175-E179 IonicContact CZ-OE2 3.8Å; R175-E179 VanDerWaalsContact CZ-OE2 3.31Å; R175-E179 IonicContact NH1-OE1 3.64Å; R175-E179 PolarHBondContact NH1-OE1 3.48Å; R175-E179 IonicContact NH1-OE2 2.6Å; R175-E179 IonicContact NH2-OE1 3.95Å; R175-E179 PolarHBondContact NH2-OE1 3.03Å; R175-E179 VanDerWaalsContact NH2-OE1 3.11Å; R175-E179 IonicContact NH2-OE2 3Å; R175-E179 PolarHBondContact NH2-OE2 3.38Å; R175-E179 WeakPolarHBondContact O-CG 3.45Å; R175-E179 PolarHBondContact O-N 2.95Å |
| 176 | Q | 96.2 | Very high | 96.9 | Very high | 95 Ų | 95 | 95.1 Ų | 95.1 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 176.2 | -75.4 | 173.9 | -17.7 | 0 | 0 | 111.8 | L172 A173 M174 E179 N180 | L172-Q176 HydrophobicContact CD1-CG 4.4Å; L172-Q176 WeakPolarHBondContact O-CB 3.47Å; L172-Q176 VanDerWaalsContact O-CG 3.32Å; L172-Q176 WeakPolarHBondContact O-CG 3.28Å; L172-Q176 PolarHBondContact O-N 3.18Å; A173-Q176 PolarHBondContact O-N 2.9Å; M174-Q176 PolarHBondContact O-N 2.78Å; Q176-E179 PolarHBondContact O-N 2.79Å; Q176-N180 WeakPolarHBondContact O-CB 3.45Å; Q176-N180 PolarHBondContact O-N 3.44Å; Q176-N180 PolarHBondContact O-ND2 3.46Å |
| 177 | S | 97.3 | Very high | 97 | Very high | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 173.7 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | A173 M174 E179 N180 D181 | A173-S177 PolarHBondContact O-N 3.31Å; M174-S177 WeakPolarHBondContact O-CB 3.39Å; M174-S177 PolarHBondContact O-N 2.93Å; S177-E179 VanDerWaalsContact C-N 3.33Å; S177-E179 PolarHBondContact O-N 2.83Å; S177-N180 WeakPolarHBondContact O-CB 3.48Å; S177-N180 PolarHBondContact O-N 3.04Å; S177-D181 VanDerWaalsContact O-CG 3.3Å; S177-D181 PolarHBondContact O-N 2.87Å |
| 178 | V | 98.3 | Very high | 97.1 | Very high | 81 Ų | 81 | 96 Ų | 96 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | M174 R175 D181 I182 | M174-V178 WeakPolarHBondContact O-CG2 3.34Å; M174-V178 PolarHBondContact O-N 3.49Å; R175-V178 PolarHBondContact O-N 2.9Å; V178-D181 PolarHBondContact O-N 2.95Å; V178-I182 HydrophobicContact CG1-CD1 3.96Å; V178-I182 HydrophobicContact CG1-CG1 4.45Å; V178-I182 VanDerWaalsContact O-CG1 3.28Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 3.48Å |
| 179 | E | 97.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 93.1 Ų | 93.1 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.2 | -80.1 | -171.7 | 149.7 | 0 | 0 | 112.5 | R175 Q176 S177 D181 I182 H183 | R175-E179 IonicContact CZ-OE1 3.65Å; R175-E179 IonicContact CZ-OE2 3.8Å; R175-E179 VanDerWaalsContact CZ-OE2 3.31Å; R175-E179 IonicContact NH1-OE1 3.64Å; R175-E179 PolarHBondContact NH1-OE1 3.48Å; R175-E179 IonicContact NH1-OE2 2.6Å; R175-E179 IonicContact NH2-OE1 3.95Å; R175-E179 PolarHBondContact NH2-OE1 3.03Å; R175-E179 VanDerWaalsContact NH2-OE1 3.11Å; R175-E179 IonicContact NH2-OE2 3Å; R175-E179 PolarHBondContact NH2-OE2 3.38Å; R175-E179 WeakPolarHBondContact O-CG 3.45Å; R175-E179 PolarHBondContact O-N 2.95Å; Q176-E179 PolarHBondContact O-N 2.79Å; S177-E179 VanDerWaalsContact C-N 3.33Å; S177-E179 PolarHBondContact O-N 2.83Å; E179-D181 VanDerWaalsContact C-N 3.33Å; E179-I182 PolarHBondContact O-N 3.03Å; E179-H183 PolarHBondContact O-N 3.35Å; E179-H183 PolarHBondContact O-ND1 2.88Å |
| 180 | N | 97.1 | Very high | 97.3 | Very high | 111 Ų | 111 | 93.3 Ų | 93.3 | 59% | 0.594 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 175.3 | -68.4 | -24.7 | 0 | 0 | 0 | 110.8 | Q176 S177 I182 H183 G184 | Q176-N180 WeakPolarHBondContact O-CB 3.45Å; Q176-N180 PolarHBondContact O-N 3.44Å; Q176-N180 PolarHBondContact O-ND2 3.46Å; S177-N180 WeakPolarHBondContact O-CB 3.48Å; S177-N180 PolarHBondContact O-N 3.04Å; N180-I182 PolarHBondContact O-N 3.19Å; N180-H183 PolarHBondContact O-N 3.39Å; N180-G184 PolarHBondContact O-N 3.44Å |
| 181 | D | 98.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 93.9 Ų | 93.9 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.5 | -65.8 | -22 | 0 | 0 | 0 | 111.5 | S177 V178 E179 H183 G184 L185 | S177-D181 VanDerWaalsContact O-CG 3.3Å; S177-D181 PolarHBondContact O-N 2.87Å; V178-D181 PolarHBondContact O-N 2.95Å; E179-D181 VanDerWaalsContact C-N 3.33Å; D181-H183 PolarHBondContact O-N 3.37Å; D181-G184 PolarHBondContact O-N 2.88Å; D181-L185 WeakPolarHBondContact O-CG 3.4Å; D181-L185 PolarHBondContact O-N 2.94Å |
| 182 | I | 98.1 | Very high | 97.6 | Very high | 77 Ų | 77 | 91.9 Ų | 91.9 | 40% | 0.395 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.3 | -70.5 | 166.4 | 0 | 0 | 0 | 111 | V178 E179 N180 G184 L185 R186 | V178-I182 HydrophobicContact CG1-CD1 3.96Å; V178-I182 HydrophobicContact CG1-CG1 4.45Å; V178-I182 VanDerWaalsContact O-CG1 3.28Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 3.48Å; E179-I182 PolarHBondContact O-N 3.03Å; N180-I182 PolarHBondContact O-N 3.19Å; I182-G184 VanDerWaalsContact C-N 3.33Å; I182-L185 PolarHBondContact O-N 3.31Å; I182-R186 WeakPolarHBondContact O-CG 3.46Å; I182-R186 PolarHBondContact O-N 3.06Å |
| 183 | H | 98 | Very high | 97.8 | Very high | 124 Ų | 124 | 92.5 Ų | 92.5 | 57% | 0.574 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 175.4 | -78.3 | 85.1 | 0 | 0 | 0 | 111.4 | E179 N180 D181 R186 K187 | E179-H183 PolarHBondContact O-N 3.35Å; E179-H183 PolarHBondContact O-ND1 2.88Å; N180-H183 PolarHBondContact O-N 3.39Å; D181-H183 PolarHBondContact O-N 3.37Å; H183-R186 PolarHBondContact O-N 2.88Å; H183-K187 PolarHBondContact O-N 3.29Å |
| 184 | G | 98.3 | Very high | 97.9 | Very high | 37 Ų | 37 | 93.5 Ų | 93.5 | 38% | 0.381 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N180 D181 I182 R186 K187 V188 | N180-G184 PolarHBondContact O-N 3.44Å; D181-G184 PolarHBondContact O-N 2.88Å; I182-G184 VanDerWaalsContact C-N 3.33Å; G184-R186 PolarHBondContact O-N 2.96Å; G184-K187 WeakPolarHBondContact O-CB 3.28Å; G184-K187 PolarHBondContact O-N 3.4Å; G184-V188 WeakPolarHBondContact O-CG2 3.42Å; G184-V188 PolarHBondContact O-N 3.16Å |
| 185 | L | 98.1 | Very high | 98 | Very high | 113 Ų | 113 | 91.8 Ų | 91.8 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 177 | -71.8 | 174.3 | 0 | 0 | 0 | 112.4 | D181 I182 K187 V188 I189 | D181-L185 WeakPolarHBondContact O-CG 3.4Å; D181-L185 PolarHBondContact O-N 2.94Å; I182-L185 PolarHBondContact O-N 3.31Å; L185-K187 VanDerWaalsContact C-N 3.35Å; L185-V188 PolarHBondContact O-N 3.38Å; L185-I189 WeakPolarHBondContact O-CG1 3.44Å; L185-I189 PolarHBondContact O-N 3.01Å |
| 186 | R | 98.3 | Very high | 98.1 | Very high | 159 Ų | 159 | 91.3 Ų | 91.3 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 173.4 | -75.5 | 173.9 | -179.7 | -86.9 | 0.1 | 111.4 | I182 H183 G184 V188 I189 D190 | I182-R186 WeakPolarHBondContact O-CG 3.46Å; I182-R186 PolarHBondContact O-N 3.06Å; H183-R186 PolarHBondContact O-N 2.88Å; G184-R186 PolarHBondContact O-N 2.96Å; R186-V188 PolarHBondContact O-N 3.21Å; R186-I189 WeakPolarHBondContact O-CB 3.42Å; R186-I189 PolarHBondContact O-N 3.45Å; R186-I189 VanDerWaalsContact O-N 3.16Å; R186-D190 PolarHBondContact O-N 3.46Å |
| 187 | K | 98.4 | Very high | 98.2 | Very high | 134 Ų | 134 | 91 Ų | 91 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.3 | -44.2 | 175.7 | -173.9 | -177.4 | 175.7 | -175.9 | 0 | 111.9 | H183 G184 L185 I189 D190 D191 | H183-K187 PolarHBondContact O-N 3.29Å; G184-K187 WeakPolarHBondContact O-CB 3.28Å; G184-K187 PolarHBondContact O-N 3.4Å; L185-K187 VanDerWaalsContact C-N 3.35Å; K187-I189 VanDerWaalsContact C-N 3.29Å; K187-I189 PolarHBondContact O-N 3.14Å; K187-D190 PolarHBondContact O-N 2.98Å; K187-D190 VanDerWaalsContact O-N 3.14Å; K187-D191 WeakPolarHBondContact O-CB 3.47Å; K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 2.9Å |
| 188 | V | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 93 Ų | 93 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 176 | 173 | 0 | 0 | 0 | 0 | 111.3 | G184 L185 R186 T192 | G184-V188 WeakPolarHBondContact O-CG2 3.42Å; G184-V188 PolarHBondContact O-N 3.16Å; L185-V188 PolarHBondContact O-N 3.38Å; R186-V188 PolarHBondContact O-N 3.21Å; V188-T192 HydrophobicContact CG1-CG2 4.3Å; V188-T192 WeakPolarHBondContact O-CB 3.47Å; V188-T192 VanDerWaalsContact O-CG2 3.24Å; V188-T192 WeakPolarHBondContact O-CG2 3.49Å; V188-T192 PolarHBondContact O-N 2.86Å; V188-T192 PolarHBondContact O-OG1 3.37Å |
| 189 | I | 98.6 | Very high | 98.2 | Very high | 95 Ų | 95 | 93.9 Ų | 93.9 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 173.7 | -69.9 | 165.7 | 0 | 0 | 0 | 110.8 | L185 R186 K187 T192 N193 | L185-I189 WeakPolarHBondContact O-CG1 3.44Å; L185-I189 PolarHBondContact O-N 3.01Å; R186-I189 WeakPolarHBondContact O-CB 3.42Å; R186-I189 PolarHBondContact O-N 3.45Å; R186-I189 VanDerWaalsContact O-N 3.16Å; K187-I189 VanDerWaalsContact C-N 3.29Å; K187-I189 PolarHBondContact O-N 3.14Å; I189-T192 WeakPolarHBondContact CA-OG1 3.5Å; I189-T192 PolarHBondContact O-OG1 3.44Å; I189-N193 WeakPolarHBondContact CG2-ND2 3.43Å; I189-N193 WeakPolarHBondContact O-CB 3.38Å; I189-N193 VanDerWaalsContact O-CG 3.26Å; I189-N193 PolarHBondContact O-N 3.33Å; I189-N193 PolarHBondContact O-ND2 2.92Å |
| 190 | D | 98.5 | Very high | 98.2 | Very high | 98 Ų | 98 | 94.2 Ų | 94.2 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 178.6 | -66.2 | -25.2 | 0 | 0 | 0 | 111.4 | R186 K187 T192 N193 V194 | R186-D190 PolarHBondContact O-N 3.46Å; K187-D190 PolarHBondContact O-N 2.98Å; K187-D190 VanDerWaalsContact O-N 3.14Å; D190-T192 PolarHBondContact O-N 3.46Å; D190-N193 WeakPolarHBondContact O-CB 3.36Å; D190-N193 PolarHBondContact O-N 3.45Å; D190-V194 WeakPolarHBondContact O-CG2 3.41Å; D190-V194 PolarHBondContact O-N 3.07Å |
| 191 | D | 98.3 | Very high | 98.2 | Very high | 86 Ų | 86 | 92.9 Ų | 92.9 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.1 | -68.3 | -18.6 | 0 | 0 | 0 | 111.2 | K187 N193 V194 T195 | K187-D191 WeakPolarHBondContact O-CB 3.47Å; K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 2.9Å; D191-N193 VanDerWaalsContact C-N 3.35Å; D191-N193 PolarHBondContact O-N 3.16Å; D191-V194 PolarHBondContact O-N 3.23Å; D191-T195 WeakPolarHBondContact O-CG2 3.48Å; D191-T195 PolarHBondContact O-N 2.85Å; D191-T195 PolarHBondContact O-OG1 3.48Å |
| 192 | T | 98.4 | Very high | 98.2 | Very high | 73 Ų | 73 | 93.7 Ų | 93.7 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 175.8 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | V188 I189 D190 T195 R196 | V188-T192 HydrophobicContact CG1-CG2 4.3Å; V188-T192 WeakPolarHBondContact O-CB 3.47Å; V188-T192 VanDerWaalsContact O-CG2 3.24Å; V188-T192 WeakPolarHBondContact O-CG2 3.49Å; V188-T192 PolarHBondContact O-N 2.86Å; V188-T192 PolarHBondContact O-OG1 3.37Å; I189-T192 WeakPolarHBondContact CA-OG1 3.5Å; I189-T192 PolarHBondContact O-OG1 3.44Å; D190-T192 PolarHBondContact O-N 3.46Å; T192-T195 WeakPolarHBondContact CA-OG1 3.37Å; T192-T195 PolarHBondContact O-N 2.89Å; T192-T195 PolarHBondContact O-OG1 2.95Å; T192-R196 WeakPolarHBondContact O-CB 3.36Å; T192-R196 PolarHBondContact O-N 3.35Å |
| 193 | N | 98.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 94.1 Ų | 94.1 | 35% | 0.353 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 173.6 | -79.8 | -38.8 | 0 | 0 | 0 | 112.4 | I189 D190 D191 R196 L197 | I189-N193 WeakPolarHBondContact CG2-ND2 3.43Å; I189-N193 WeakPolarHBondContact O-CB 3.38Å; I189-N193 VanDerWaalsContact O-CG 3.26Å; I189-N193 PolarHBondContact O-N 3.33Å; I189-N193 PolarHBondContact O-ND2 2.92Å; D190-N193 WeakPolarHBondContact O-CB 3.36Å; D190-N193 PolarHBondContact O-N 3.45Å; D191-N193 VanDerWaalsContact C-N 3.35Å; D191-N193 PolarHBondContact O-N 3.16Å; N193-R196 PolarHBondContact O-N 2.91Å; N193-L197 VanDerWaalsContact O-CG 3.32Å; N193-L197 WeakPolarHBondContact O-CG 3.21Å; N193-L197 PolarHBondContact O-N 2.91Å |
| 194 | V | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 93.7 Ų | 93.7 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 175 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | D190 D191 R196 L197 Q198 | D190-V194 WeakPolarHBondContact O-CG2 3.41Å; D190-V194 PolarHBondContact O-N 3.07Å; D191-V194 PolarHBondContact O-N 3.23Å; V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 2.93Å; V194-L197 PolarHBondContact O-N 3.26Å; V194-Q198 WeakPolarHBondContact O-CG 3.4Å; V194-Q198 PolarHBondContact O-N 3.28Å |
| 195 | T | 98.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 94.6 Ų | 94.6 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | D191 T192 Q198 L199 | D191-T195 WeakPolarHBondContact O-CG2 3.48Å; D191-T195 PolarHBondContact O-N 2.85Å; D191-T195 PolarHBondContact O-OG1 3.48Å; T192-T195 WeakPolarHBondContact CA-OG1 3.37Å; T192-T195 PolarHBondContact O-N 2.89Å; T192-T195 PolarHBondContact O-OG1 2.95Å; T195-Q198 PolarHBondContact O-N 3.48Å; T195-L199 WeakPolarHBondContact O-CG 3.24Å; T195-L199 PolarHBondContact O-N 2.96Å |
| 196 | R | 98.4 | Very high | 98.2 | Very high | 111 Ų | 111 | 94.4 Ų | 94.4 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 172.8 | -178 | -170.5 | 64.7 | 84.2 | 9.4 | 111.3 | T192 N193 V194 Q198 L199 E200 | T192-R196 WeakPolarHBondContact O-CB 3.36Å; T192-R196 PolarHBondContact O-N 3.35Å; N193-R196 PolarHBondContact O-N 2.91Å; V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 2.93Å; R196-Q198 VanDerWaalsContact C-N 3.34Å; R196-Q198 PolarHBondContact O-N 3.29Å; R196-L199 PolarHBondContact O-N 3.48Å; R196-E200 IonicContact CZ-OE1 2.77Å; R196-E200 IonicContact CZ-OE2 3.59Å; R196-E200 IonicContact NH1-OE1 3.66Å; R196-E200 PolarHBondContact NH1-OE1 2.92Å; R196-E200 IonicContact NH1-OE2 3.37Å; R196-E200 PolarHBondContact NH1-OE2 3.43Å; R196-E200 WeakPolarHBondContact O-CG 3.36Å; R196-E200 PolarHBondContact O-N 3.26Å |
| 197 | L | 98.3 | Very high | 98.1 | Very high | 89 Ų | 89 | 92.7 Ų | 92.7 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 179 | -72 | 171.9 | 0 | 0 | 0 | 111.6 | N193 V194 E200 T201 | N193-L197 VanDerWaalsContact O-CG 3.32Å; N193-L197 WeakPolarHBondContact O-CG 3.21Å; N193-L197 PolarHBondContact O-N 2.91Å; V194-L197 PolarHBondContact O-N 3.26Å; L197-E200 PolarHBondContact O-N 3.49Å; L197-T201 WeakPolarHBondContact O-CG2 3.35Å; L197-T201 PolarHBondContact O-N 2.93Å; L197-T201 PolarHBondContact O-OG1 2.93Å |
| 198 | Q | 98 | Very high | 98.1 | Very high | 106 Ų | 106 | 92.9 Ų | 92.9 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 174.5 | -72.8 | 170.2 | -20.2 | 0 | 0 | 111.4 | V194 T195 R196 E200 T201 E202 | V194-Q198 WeakPolarHBondContact O-CG 3.4Å; V194-Q198 PolarHBondContact O-N 3.28Å; T195-Q198 PolarHBondContact O-N 3.48Å; R196-Q198 VanDerWaalsContact C-N 3.34Å; R196-Q198 PolarHBondContact O-N 3.29Å; Q198-E200 VanDerWaalsContact C-N 3.32Å; Q198-E200 PolarHBondContact O-N 3.2Å; Q198-T201 PolarHBondContact O-N 2.84Å; Q198-T201 PolarHBondContact O-OG1 3.22Å; Q198-E202 PolarHBondContact O-N 3.33Å |
| 199 | L | 98 | Very high | 98 | Very high | 98 Ų | 98 | 94.6 Ų | 94.6 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 176.9 | -69.1 | 172.4 | 0 | 0 | 0 | 112.4 | T195 R196 E202 I203 | T195-L199 WeakPolarHBondContact O-CG 3.24Å; T195-L199 PolarHBondContact O-N 2.96Å; R196-L199 PolarHBondContact O-N 3.48Å; L199-E202 PolarHBondContact O-N 3.32Å; L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 VanDerWaalsContact O-CG1 3.22Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 2.79Å |
| 200 | E | 97.9 | Very high | 97.9 | Very high | 76 Ų | 76 | 94.5 Ų | 94.5 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 173.9 | -77.8 | 171.5 | -180 | 0 | 0 | 111.4 | R196 L197 Q198 I203 E204 | R196-E200 IonicContact CZ-OE1 2.77Å; R196-E200 IonicContact CZ-OE2 3.59Å; R196-E200 IonicContact NH1-OE1 3.66Å; R196-E200 PolarHBondContact NH1-OE1 2.92Å; R196-E200 IonicContact NH1-OE2 3.37Å; R196-E200 PolarHBondContact NH1-OE2 3.43Å; R196-E200 WeakPolarHBondContact O-CG 3.36Å; R196-E200 PolarHBondContact O-N 3.26Å; L197-E200 PolarHBondContact O-N 3.49Å; Q198-E200 VanDerWaalsContact C-N 3.32Å; Q198-E200 PolarHBondContact O-N 3.2Å; E200-I203 PolarHBondContact O-N 2.96Å; E200-E204 PolarHBondContact O-N 2.92Å |
| 201 | T | 98 | Very high | 97.8 | Very high | 84 Ų | 84 | 95.3 Ų | 95.3 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.9 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | L197 Q198 E204 A205 | L197-T201 WeakPolarHBondContact O-CG2 3.35Å; L197-T201 PolarHBondContact O-N 2.93Å; L197-T201 PolarHBondContact O-OG1 2.93Å; Q198-T201 PolarHBondContact O-N 2.84Å; Q198-T201 PolarHBondContact O-OG1 3.22Å; T201-E204 PolarHBondContact O-N 3.32Å; T201-A205 WeakPolarHBondContact O-CB 3.49Å; T201-A205 PolarHBondContact O-N 2.93Å |
| 202 | E | 98.1 | Very high | 97.8 | Very high | 115 Ų | 115 | 97.9 Ų | 97.9 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 174.3 | -73.8 | 179.1 | -177 | 0 | 0 | 111.6 | Q198 L199 E204 A205 L206 | Q198-E202 PolarHBondContact O-N 3.33Å; L199-E202 PolarHBondContact O-N 3.32Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 3.42Å; E202-A205 PolarHBondContact O-N 2.89Å; E202-L206 WeakPolarHBondContact O-CB 3.32Å; E202-L206 VanDerWaalsContact O-CG 3.31Å; E202-L206 WeakPolarHBondContact O-CG 3.28Å; E202-L206 PolarHBondContact O-N 3.48Å |
| 203 | I | 97.9 | Very high | 97.7 | Very high | 86 Ų | 86 | 100 Ų | 100 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.7 | -73 | 166.5 | 0 | 0 | 0 | 110.8 | L199 E200 K207 | L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 VanDerWaalsContact O-CG1 3.22Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 2.79Å; E200-I203 PolarHBondContact O-N 2.96Å; I203-K207 HydrophobicContact CG2-CD 4.11Å; I203-K207 WeakPolarHBondContact O-CB 3.37Å; I203-K207 VanDerWaalsContact O-CG 3.25Å; I203-K207 WeakPolarHBondContact O-CG 3.46Å; I203-K207 PolarHBondContact O-N 2.92Å |
| 204 | E | 97.9 | Very high | 97.6 | Very high | 115 Ų | 115 | 103.1 Ų | 103.1 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 177 | -82.1 | 164.6 | 174.1 | 0 | 0 | 111.9 | E200 T201 E202 L206 K207 E208 | E200-E204 PolarHBondContact O-N 2.92Å; T201-E204 PolarHBondContact O-N 3.32Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 3.42Å; E204-L206 PolarHBondContact O-N 3.36Å; E204-K207 WeakPolarHBondContact O-CB 3.43Å; E204-K207 PolarHBondContact O-N 3.37Å; E204-K207 VanDerWaalsContact O-N 3.15Å; E204-E208 WeakPolarHBondContact O-CG 3.42Å; E204-E208 PolarHBondContact O-N 3.42Å |
| 205 | A | 97.7 | Very high | 97.5 | Very high | 55 Ų | 55 | 105.5 Ų | 105.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T201 E202 K207 E208 E209 | T201-A205 WeakPolarHBondContact O-CB 3.49Å; T201-A205 PolarHBondContact O-N 2.93Å; E202-A205 PolarHBondContact O-N 2.89Å; A205-K207 VanDerWaalsContact C-N 3.33Å; A205-K207 PolarHBondContact O-N 2.87Å; A205-E208 PolarHBondContact O-N 3.34Å; A205-E209 PolarHBondContact O-N 3.34Å |
| 206 | L | 97.5 | Very high | 97.4 | Very high | 109 Ų | 109 | 105.1 Ų | 105.1 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -34.9 | 176.8 | -72.7 | 171.5 | 0 | 0 | 0 | 112.6 | E202 E204 L210 | E202-L206 WeakPolarHBondContact O-CB 3.32Å; E202-L206 VanDerWaalsContact O-CG 3.31Å; E202-L206 WeakPolarHBondContact O-CG 3.28Å; E202-L206 PolarHBondContact O-N 3.48Å; E204-L206 PolarHBondContact O-N 3.36Å; L206-L210 WeakPolarHBondContact O-CB 3.33Å; L206-L210 PolarHBondContact O-N 3.32Å |
| 207 | K | 97.8 | Very high | 97.3 | Very high | 124 Ų | 124 | 105.3 Ų | 105.3 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 173.6 | -77.6 | 169.1 | -178.2 | 169 | 0 | 111.3 | I203 E204 A205 L210 L211 | I203-K207 HydrophobicContact CG2-CD 4.11Å; I203-K207 WeakPolarHBondContact O-CB 3.37Å; I203-K207 VanDerWaalsContact O-CG 3.25Å; I203-K207 WeakPolarHBondContact O-CG 3.46Å; I203-K207 PolarHBondContact O-N 2.92Å; E204-K207 WeakPolarHBondContact O-CB 3.43Å; E204-K207 PolarHBondContact O-N 3.37Å; E204-K207 VanDerWaalsContact O-N 3.15Å; A205-K207 VanDerWaalsContact C-N 3.33Å; A205-K207 PolarHBondContact O-N 2.87Å; K207-L210 PolarHBondContact O-N 2.93Å; K207-L211 VanDerWaalsContact O-CG 3.32Å; K207-L211 WeakPolarHBondContact O-CG 3.49Å; K207-L211 PolarHBondContact O-N 3.35Å |
| 208 | E | 97.2 | Very high | 97.1 | Very high | 138 Ų | 138 | 106.1 Ų | 106.1 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 175.3 | -73 | -178 | 178 | 0 | 0 | 111.4 | E204 A205 L210 L211 F212 | E204-E208 WeakPolarHBondContact O-CG 3.42Å; E204-E208 PolarHBondContact O-N 3.42Å; A205-E208 PolarHBondContact O-N 3.34Å; E208-L210 PolarHBondContact O-N 2.67Å; E208-L211 PolarHBondContact O-N 3.22Å; E208-F212 WeakPolarHBondContact O-CB 3.5Å; E208-F212 PolarHBondContact O-N 3.46Å |
| 209 | E | 97.1 | Very high | 96.9 | Very high | 117 Ų | 117 | 106.1 Ų | 106.1 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.6 | -170.7 | 178.1 | -171.9 | 0 | 0 | 111.8 | A205 L211 F212 M213 | A205-E209 PolarHBondContact O-N 3.34Å; E209-L211 PolarHBondContact O-N 2.96Å; E209-F212 WeakPolarHBondContact O-CB 3.3Å; E209-F212 PolarHBondContact O-N 2.91Å; E209-M213 WeakPolarHBondContact O-CB 3.37Å; E209-M213 WeakPolarHBondContact O-CG 3.49Å; E209-M213 PolarHBondContact O-N 3.47Å |
| 210 | L | 96.6 | Very high | 96.7 | Very high | 93 Ų | 93 | 106.5 Ų | 106.5 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.4 | -168.9 | 160.5 | 0 | 0 | 0 | 111.6 | L206 K207 E208 M213 K214 | L206-L210 WeakPolarHBondContact O-CB 3.33Å; L206-L210 PolarHBondContact O-N 3.32Å; K207-L210 PolarHBondContact O-N 2.93Å; E208-L210 PolarHBondContact O-N 2.67Å; L210-M213 PolarHBondContact O-N 2.97Å; L210-K214 HydrophobicContact CD2-CD 3.68Å; L210-K214 HydrophobicContact CD2-CG 4.17Å; L210-K214 WeakPolarHBondContact O-CB 3.46Å; L210-K214 WeakPolarHBondContact O-CG 3.43Å; L210-K214 PolarHBondContact O-N 2.9Å |
| 211 | L | 96.9 | Very high | 96.4 | Very high | 116 Ų | 116 | 105.2 Ų | 105.2 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 174.9 | -73.4 | 173 | 0 | 0 | 0 | 111.6 | K207 E208 E209 K214 K215 | K207-L211 VanDerWaalsContact O-CG 3.32Å; K207-L211 WeakPolarHBondContact O-CG 3.49Å; K207-L211 PolarHBondContact O-N 3.35Å; E208-L211 PolarHBondContact O-N 3.22Å; E209-L211 PolarHBondContact O-N 2.96Å; L211-K214 PolarHBondContact O-N 3.34Å; L211-K215 WeakPolarHBondContact O-CB 3.27Å; L211-K215 PolarHBondContact O-N 3.33Å |
| 212 | F | 97.1 | Very high | 96.1 | Very high | 139 Ų | 139 | 106.5 Ų | 106.5 | 61% | 0.61 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -49.2 | 175.7 | 179.2 | -97.6 | 0 | 0 | 0 | 111.4 | E208 E209 K214 K215 N216 | E208-F212 WeakPolarHBondContact O-CB 3.5Å; E208-F212 PolarHBondContact O-N 3.46Å; E209-F212 WeakPolarHBondContact O-CB 3.3Å; E209-F212 PolarHBondContact O-N 2.91Å; F212-K214 PolarHBondContact O-N 2.84Å; F212-K215 PolarHBondContact O-N 3.02Å; F212-N216 WeakPolarHBondContact O-CB 3.48Å; F212-N216 PolarHBondContact O-N 2.86Å |
| 213 | M | 96.1 | Very high | 95.7 | Very high | 117 Ų | 117 | 103 Ų | 103 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 177.9 | -72.4 | -66.3 | -104.7 | 0 | 0 | 112.5 | E209 L210 N216 H217 | E209-M213 WeakPolarHBondContact O-CB 3.37Å; E209-M213 WeakPolarHBondContact O-CG 3.49Å; E209-M213 PolarHBondContact O-N 3.47Å; L210-M213 PolarHBondContact O-N 2.97Å; M213-N216 PolarHBondContact O-N 2.98Å; M213-H217 WeakPolarHBondContact O-CB 3.37Å; M213-H217 PolarHBondContact O-N 3.38Å |
| 214 | K | 96.4 | Very high | 95.1 | Very high | 133 Ų | 133 | 103.5 Ų | 103.5 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 174.3 | -81.5 | -178.1 | 176.6 | 171.3 | 0 | 112.2 | L210 L211 F212 H217 E218 | L210-K214 HydrophobicContact CD2-CD 3.68Å; L210-K214 HydrophobicContact CD2-CG 4.17Å; L210-K214 WeakPolarHBondContact O-CB 3.46Å; L210-K214 WeakPolarHBondContact O-CG 3.43Å; L210-K214 PolarHBondContact O-N 2.9Å; L211-K214 PolarHBondContact O-N 3.34Å; F212-K214 PolarHBondContact O-N 2.84Å; K214-H217 PolarHBondContact O-N 3.36Å; K214-E218 WeakPolarHBondContact O-CB 3.33Å; K214-E218 PolarHBondContact O-N 2.95Å |
| 215 | K | 96.8 | Very high | 94.4 | Very high | 126 Ų | 126 | 103.8 Ų | 103.8 | 55% | 0.548 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 178 | -178.7 | 176.2 | 172.9 | 175.8 | 0 | 111.1 | L211 F212 H217 E218 E219 | L211-K215 WeakPolarHBondContact O-CB 3.27Å; L211-K215 PolarHBondContact O-N 3.33Å; F212-K215 PolarHBondContact O-N 3.02Å; K215-H217 VanDerWaalsContact C-N 3.35Å; K215-H217 PolarHBondContact O-N 3.31Å; K215-E218 PolarHBondContact O-N 3.33Å; K215-E219 WeakPolarHBondContact CE-OE1 3.46Å; K215-E219 IonicContact NZ-OE1 3.52Å; K215-E219 WeakPolarHBondContact O-CG 3.36Å; K215-E219 PolarHBondContact O-N 3.35Å |
| 216 | N | 96 | Very high | 93.6 | Very high | 60 Ų | 60 | 103.9 Ų | 103.9 | 32% | 0.321 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 176.8 | -170.5 | 59.6 | 0 | 0 | 0 | 111.2 | F212 M213 E218 E219 E220 | F212-N216 WeakPolarHBondContact O-CB 3.48Å; F212-N216 PolarHBondContact O-N 2.86Å; M213-N216 PolarHBondContact O-N 2.98Å; N216-E218 PolarHBondContact O-N 3.33Å; N216-E219 PolarHBondContact O-N 3.24Å; N216-E220 PolarHBondContact ND2-OE1 3.49Å; N216-E220 WeakPolarHBondContact O-CB 3.34Å; N216-E220 WeakPolarHBondContact O-CG 3.43Å; N216-E220 PolarHBondContact O-N 2.68Å |
| 217 | H | 95.1 | Very high | 92.7 | Very high | 116 Ų | 116 | 104.7 Ų | 104.7 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 175.4 | -176.7 | 63.2 | 0 | 0 | 0 | 112.6 | M213 K214 K215 E219 E220 V221 | M213-H217 WeakPolarHBondContact O-CB 3.37Å; M213-H217 PolarHBondContact O-N 3.38Å; K214-H217 PolarHBondContact O-N 3.36Å; K215-H217 VanDerWaalsContact C-N 3.35Å; K215-H217 PolarHBondContact O-N 3.31Å; H217-E219 VanDerWaalsContact C-N 3.34Å; H217-E220 PolarHBondContact O-N 2.9Å; H217-V221 WeakPolarHBondContact O-CB 3.18Å; H217-V221 VanDerWaalsContact O-CG2 3.26Å; H217-V221 WeakPolarHBondContact O-CG2 3.48Å; H217-V221 PolarHBondContact O-N 2.91Å |
| 218 | E | 95.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 104.5 Ų | 104.5 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.2 | -164.5 | -175.1 | 158.6 | 0 | 0 | 111.8 | K214 K215 N216 K222 | K214-E218 WeakPolarHBondContact O-CB 3.33Å; K214-E218 PolarHBondContact O-N 2.95Å; K215-E218 PolarHBondContact O-N 3.33Å; N216-E218 PolarHBondContact O-N 3.33Å; E218-K222 HydrophobicContact CG-CD 4.49Å; E218-K222 WeakPolarHBondContact O-CB 3.4Å; E218-K222 VanDerWaalsContact O-CG 3.25Å; E218-K222 WeakPolarHBondContact O-CG 3.49Å; E218-K222 PolarHBondContact O-N 3.36Å; E218-K222 VanDerWaalsContact OE1-CE 3.3Å; E218-K222 WeakPolarHBondContact OE1-CE 3.42Å; E218-K222 IonicContact OE1-NZ 3.55Å; E218-K222 PolarHBondContact OE1-NZ 3.39Å |
| 219 | E | 93.5 | Very high | 90 | Very high | 106 Ų | 106 | 102 Ų | 102 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 173.4 | -74 | 177.6 | -172 | 0 | 0 | 111.9 | K215 N216 H217 K222 G223 | K215-E219 WeakPolarHBondContact CE-OE1 3.46Å; K215-E219 IonicContact NZ-OE1 3.52Å; K215-E219 WeakPolarHBondContact O-CG 3.36Å; K215-E219 PolarHBondContact O-N 3.35Å; N216-E219 PolarHBondContact O-N 3.24Å; H217-E219 VanDerWaalsContact C-N 3.34Å; E219-K222 PolarHBondContact O-N 2.99Å; E219-G223 PolarHBondContact O-N 3.46Å |
| 220 | E | 93.4 | Very high | 88.5 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.5 | -76.5 | 176.2 | -172.7 | 0 | 0 | 111.9 | N216 H217 G223 L224 | N216-E220 PolarHBondContact ND2-OE1 3.49Å; N216-E220 WeakPolarHBondContact O-CB 3.34Å; N216-E220 WeakPolarHBondContact O-CG 3.43Å; N216-E220 PolarHBondContact O-N 2.68Å; H217-E220 PolarHBondContact O-N 2.9Å; E220-G223 CarbonylContact O-C 3.39Å; E220-G223 PolarHBondContact O-N 3.33Å; E220-L224 WeakPolarHBondContact O-CB 3.47Å; E220-L224 WeakPolarHBondContact O-CG 3.33Å; E220-L224 PolarHBondContact O-N 2.92Å |
| 221 | V | 92.1 | Very high | 86.3 | Confident | 50 Ų | 50 | 99.5 Ų | 99.5 | 30% | 0.303 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.8 | 170 | 0 | 0 | 0 | 0 | 110.7 | H217 G223 L224 Q225 | H217-V221 WeakPolarHBondContact O-CB 3.18Å; H217-V221 VanDerWaalsContact O-CG2 3.26Å; H217-V221 WeakPolarHBondContact O-CG2 3.48Å; H217-V221 PolarHBondContact O-N 2.91Å; V221-G223 VanDerWaalsContact C-N 3.32Å; V221-L224 PolarHBondContact O-N 2.89Å; V221-Q225 HydrophobicContact CG1-CG 4.39Å; V221-Q225 WeakPolarHBondContact O-CB 3.32Å; V221-Q225 VanDerWaalsContact O-CG 3.3Å; V221-Q225 WeakPolarHBondContact O-CG 3.49Å; V221-Q225 PolarHBondContact O-N 2.76Å |
| 222 | K | 91.6 | Very high | 84 | Confident | 111 Ų | 111 | 96.8 Ų | 96.8 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 173.3 | -77.2 | 171.2 | -173.9 | 163.6 | 0 | 111.4 | E218 E219 Q225 A226 | E218-K222 HydrophobicContact CG-CD 4.49Å; E218-K222 WeakPolarHBondContact O-CB 3.4Å; E218-K222 VanDerWaalsContact O-CG 3.25Å; E218-K222 WeakPolarHBondContact O-CG 3.49Å; E218-K222 PolarHBondContact O-N 3.36Å; E218-K222 VanDerWaalsContact OE1-CE 3.3Å; E218-K222 WeakPolarHBondContact OE1-CE 3.42Å; E218-K222 IonicContact OE1-NZ 3.55Å; E218-K222 PolarHBondContact OE1-NZ 3.39Å; E219-K222 PolarHBondContact O-N 2.99Å; K222-Q225 PolarHBondContact O-N 3.26Å; K222-A226 VanDerWaalsContact O-CB 3.26Å; K222-A226 WeakPolarHBondContact O-CB 3.41Å; K222-A226 PolarHBondContact O-N 3.24Å |
| 223 | G | 89.6 | Confident | 81.5 | Confident | 40 Ų | 40 | 97.4 Ų | 97.4 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E219 E220 V221 A226 Q227 | E219-G223 PolarHBondContact O-N 3.46Å; E220-G223 CarbonylContact O-C 3.39Å; E220-G223 PolarHBondContact O-N 3.33Å; V221-G223 VanDerWaalsContact C-N 3.32Å; G223-A226 PolarHBondContact O-N 3.36Å; G223-Q227 VanDerWaalsContact O-CB 3.3Å; G223-Q227 WeakPolarHBondContact O-CB 3.45Å; G223-Q227 PolarHBondContact O-N 3.01Å |
| 224 | L | 85.9 | Confident | 78.6 | Confident | 97 Ų | 97 | 97.6 Ų | 97.6 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 175.9 | -70.9 | 173 | 0 | 0 | 0 | 112.2 | E220 V221 Q227 I228 | E220-L224 WeakPolarHBondContact O-CB 3.47Å; E220-L224 WeakPolarHBondContact O-CG 3.33Å; E220-L224 PolarHBondContact O-N 2.92Å; V221-L224 PolarHBondContact O-N 2.89Å; L224-Q227 CarbonylContact O-C 3.49Å; L224-Q227 WeakPolarHBondContact O-CB 3.49Å; L224-Q227 PolarHBondContact O-N 2.98Å; L224-I228 WeakPolarHBondContact O-CB 3.42Å; L224-I228 WeakPolarHBondContact O-CD1 3.43Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 2.92Å |
| 225 | Q | 81.8 | Confident | 76.3 | Confident | 121 Ų | 121 | 96.8 Ų | 96.8 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | 174.1 | -79.1 | 178.3 | -3.8 | 0 | 0 | 111.9 | V221 K222 Q227 I228 A229 | V221-Q225 HydrophobicContact CG1-CG 4.39Å; V221-Q225 WeakPolarHBondContact O-CB 3.32Å; V221-Q225 VanDerWaalsContact O-CG 3.3Å; V221-Q225 WeakPolarHBondContact O-CG 3.49Å; V221-Q225 PolarHBondContact O-N 2.76Å; K222-Q225 PolarHBondContact O-N 3.26Å; Q225-Q227 VanDerWaalsContact C-N 3.3Å; Q225-I228 PolarHBondContact O-N 3.39Å; Q225-A229 VanDerWaalsContact O-CB 3.24Å; Q225-A229 WeakPolarHBondContact O-CB 3Å; Q225-A229 PolarHBondContact O-N 2.93Å |
| 226 | A | 82.1 | Confident | 73.3 | Confident | 58 Ų | 58 | 99.1 Ų | 99.1 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.8 | -39.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K222 G223 A229 S230 | K222-A226 VanDerWaalsContact O-CB 3.26Å; K222-A226 WeakPolarHBondContact O-CB 3.41Å; K222-A226 PolarHBondContact O-N 3.24Å; G223-A226 PolarHBondContact O-N 3.36Å; A226-A229 PolarHBondContact O-N 3.46Å; A226-S230 VanDerWaalsContact O-CB 3.28Å; A226-S230 WeakPolarHBondContact O-CB 3.28Å; A226-S230 PolarHBondContact O-N 3.38Å; A226-S230 PolarHBondContact O-OG 3.49Å |
| 227 | Q | 77.8 | Confident | 70.8 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.6 | -40.3 | 174.9 | -154.6 | 171 | 37.3 | 0 | 0 | 111.7 | G223 L224 Q225 S230 S231 | G223-Q227 VanDerWaalsContact O-CB 3.3Å; G223-Q227 WeakPolarHBondContact O-CB 3.45Å; G223-Q227 PolarHBondContact O-N 3.01Å; L224-Q227 CarbonylContact O-C 3.49Å; L224-Q227 WeakPolarHBondContact O-CB 3.49Å; L224-Q227 PolarHBondContact O-N 2.98Å; Q225-Q227 VanDerWaalsContact C-N 3.3Å; Q227-S230 VanDerWaalsContact CA-OG 3.31Å; Q227-S230 WeakPolarHBondContact CA-OG 3.35Å; Q227-S230 PolarHBondContact O-OG 3.48Å; Q227-S230 VanDerWaalsContact O-OG 3.09Å; Q227-S231 WeakPolarHBondContact O-CA 3.32Å; Q227-S231 WeakPolarHBondContact O-CB 3.42Å; Q227-S231 PolarHBondContact O-N 3.34Å; Q227-S231 PolarHBondContact O-OG 2.9Å; Q227-S231 VanDerWaalsContact O-OG 3.11Å |
| 228 | I | 70.3 | Confident | 68.1 | Low | 120 Ų | 120 | 104.4 Ų | 104.4 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.4 | -40.1 | 174.5 | -69.1 | 162.8 | 0 | 0 | 0 | 111.3 | L224 Q225 S231 | L224-I228 WeakPolarHBondContact O-CB 3.42Å; L224-I228 WeakPolarHBondContact O-CD1 3.43Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 2.92Å; Q225-I228 PolarHBondContact O-N 3.39Å; I228-S231 WeakPolarHBondContact CA-OG 3.5Å; I228-S231 CarbonylContact O-C 3.59Å; I228-S231 PolarHBondContact O-N 2.93Å; I228-S231 PolarHBondContact O-OG 2.84Å |
| 229 | A | 68.8 | Low | 65.4 | Low | 86 Ų | 86 | 102.8 Ų | 102.8 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.7 | -33.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q225 A226 | Q225-A229 VanDerWaalsContact O-CB 3.24Å; Q225-A229 WeakPolarHBondContact O-CB 3Å; Q225-A229 PolarHBondContact O-N 2.93Å; A226-A229 PolarHBondContact O-N 3.46Å |
| 230 | S | 64.6 | Low | 63.1 | Low | 94 Ų | 94 | 102.5 Ų | 102.5 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -82.1 | -20.8 | 172 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | A226 Q227 G232 | A226-S230 VanDerWaalsContact O-CB 3.28Å; A226-S230 WeakPolarHBondContact O-CB 3.28Å; A226-S230 PolarHBondContact O-N 3.38Å; A226-S230 PolarHBondContact O-OG 3.49Å; Q227-S230 VanDerWaalsContact CA-OG 3.31Å; Q227-S230 WeakPolarHBondContact CA-OG 3.35Å; Q227-S230 PolarHBondContact O-OG 3.48Å; Q227-S230 VanDerWaalsContact O-OG 3.09Å; S230-G232 PolarHBondContact O-N 2.6Å |
| 231 | S | 51.5 | Low | 61.1 | Low | 63 Ų | 63 | 106.8 Ų | 106.8 | 44% | 0.441 | 63% | 0.626 | S | S | . | * | trans | -89.3 | 37.6 | 171.2 | 80.4 | 0 | 0 | 0 | 0 | 112.5 | Q227 I228 L233 | Q227-S231 WeakPolarHBondContact O-CA 3.32Å; Q227-S231 WeakPolarHBondContact O-CB 3.42Å; Q227-S231 PolarHBondContact O-N 3.34Å; Q227-S231 PolarHBondContact O-OG 2.9Å; Q227-S231 VanDerWaalsContact O-OG 3.11Å; I228-S231 WeakPolarHBondContact CA-OG 3.5Å; I228-S231 CarbonylContact O-C 3.59Å; I228-S231 PolarHBondContact O-N 2.93Å; I228-S231 PolarHBondContact O-OG 2.84Å; S231-L233 PolarHBondContact O-N 2.79Å | ||
| 232 | G | 48.4 | Very low | 59.1 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 62% | 0.619 | 65% | 0.652 | S | S | * | * | trans | -56.3 | 99.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | S230 T234 | S230-G232 PolarHBondContact O-N 2.6Å; G232-T234 VanDerWaalsContact C-N 3.3Å; G232-T234 PolarHBondContact O-N 3.11Å | ||
| 233 | L | 44.5 | Very low | 57.4 | Low | 152 Ų | 152 | 111 Ų | 111 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | trans | -73.1 | 81.8 | -164.9 | -157.7 | 111.5 | 0 | 0 | 0 | 111.1 | S231 V235 | S231-L233 PolarHBondContact O-N 2.79Å; L233-V235 HydrophobicContact CD2-CG2 4.39Å; L233-V235 HydrophobicContact CG-CG2 4.34Å | ||
| 234 | T | 34.7 | Very low | 56.1 | Low | 120 Ų | 120 | 114.3 Ų | 114.3 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | trans | -106.9 | 109.2 | 149.5 | -54.6 | 0 | 0 | 0 | 0 | 106.3 | G232 E236 | G232-T234 VanDerWaalsContact C-N 3.3Å; G232-T234 PolarHBondContact O-N 3.11Å; T234-E236 HydrophobicContact CG2-CG 4.31Å; T234-E236 PolarHBondContact O-N 2.93Å | ||
| 235 | V | 47.9 | Very low | 55 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 70% | 0.703 | 67% | 0.674 | S | S | * | * | trans | -74.4 | 100 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 107.3 | L233 | L233-V235 HydrophobicContact CD2-CG2 4.39Å; L233-V235 HydrophobicContact CG-CG2 4.34Å | ||
| 236 | E | 35.1 | Very low | 54.5 | Low | 175 Ų | 175 | 113.2 Ų | 113.2 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -117 | 119.5 | 159.2 | -75 | -164.6 | 170.4 | 0 | 0 | 109.5 | T234 D238 | T234-E236 HydrophobicContact CG2-CG 4.31Å; T234-E236 PolarHBondContact O-N 2.93Å; E236-D238 PolarHBondContact O-N 3.29Å | ||
| 237 | V | 43.4 | Very low | 54.3 | Low | 135 Ų | 135 | 117 Ų | 117 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -73.3 | 102 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 238 | D | 38.1 | Very low | 54.3 | Low | 152 Ų | 152 | 113.6 Ų | 113.6 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 116.1 | 162.6 | -165.6 | 21.9 | 0 | 0 | 0 | 108.8 | E236 P240 | E236-D238 PolarHBondContact O-N 3.29Å; D238-P240 WeakPolarHBondContact O-CD 3.46Å |
| 239 | A | 39.1 | Very low | 54.7 | Low | 72 Ų | 72 | 112.1 Ų | 112.1 | 60% | 0.595 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 116.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | K241 | A239-K241 PolarHBondContact O-N 3.39Å; A239-K241 VanDerWaalsContact O-N 3.08Å |
| 240 | P | 45.2 | Very low | 55.4 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119 | 172.8 | 25.3 | -29.4 | 0 | 0 | 0 | 108.1 | D238 S242 | D238-P240 WeakPolarHBondContact O-CD 3.46Å; P240-S242 PolarHBondContact O-N 3.01Å |
| 241 | K | 50.2 | Low | 56.4 | Low | 194 Ų | 194 | 109.9 Ų | 109.9 | 84% | 0.843 | 63% | 0.631 | S | S | * | * | trans | -41.4 | 126.8 | 170.5 | -69.3 | 172.8 | 179.1 | 173.6 | 0 | 108.9 | A239 Q243 | A239-K241 PolarHBondContact O-N 3.39Å; A239-K241 VanDerWaalsContact O-N 3.08Å; K241-Q243 PolarHBondContact O-N 3.45Å | ||
| 242 | S | 50.2 | Low | 58 | Low | 120 Ų | 120 | 110.4 Ų | 110.4 | 84% | 0.839 | 63% | 0.628 | S | S | * | * | trans | -15.5 | 91.7 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | P240 D244 | P240-S242 PolarHBondContact O-N 3.01Å; S242-D244 PolarHBondContact O-N 3.45Å | ||
| 243 | Q | 57.5 | Low | 59.8 | Low | 131 Ų | 131 | 115.2 Ų | 115.2 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | trans | -59.6 | 123.6 | 169.1 | -79.3 | 174.6 | -21.6 | 0 | 0 | 105.8 | K241 L245 I248 | K241-Q243 PolarHBondContact O-N 3.45Å; Q243-L245 VanDerWaalsContact C-N 3.3Å; Q243-L245 PolarHBondContact O-N 2.83Å; Q243-I248 HydrophobicContact CB-CD1 3.54Å; Q243-I248 HydrophobicContact CB-CG1 4.49Å; Q243-I248 VanDerWaalsContact CD-CD1 3.44Å; Q243-I248 HydrophobicContact CG-CD1 3.92Å | ||
| 244 | D | 60.5 | Low | 62 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | trans | -60.6 | 98.7 | 176 | -165.8 | 0 | 0 | 0 | 0 | 107 | S242 A246 K247 I248 | S242-D244 PolarHBondContact O-N 3.45Å; D244-A246 PolarHBondContact O-N 2.93Å; D244-K247 HydrophobicContact CB-CB 4.04Å; D244-K247 WeakPolarHBondContact O-CA 3.47Å; D244-K247 WeakPolarHBondContact O-CB 3.44Å; D244-K247 PolarHBondContact O-N 2.97Å; D244-I248 PolarHBondContact O-N 3.46Å | ||
| 245 | L | 64.7 | Low | 64.5 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -57.4 | -27.2 | -174.1 | -164.8 | 76.9 | 0 | 0 | 0 | 110.2 | Q243 M249 | Q243-L245 VanDerWaalsContact C-N 3.3Å; Q243-L245 PolarHBondContact O-N 2.83Å; L245-M249 HydrophobicContact CG-CG 4.47Å; L245-M249 VanDerWaalsContact O-CB 3.24Å; L245-M249 WeakPolarHBondContact O-CB 3.36Å; L245-M249 WeakPolarHBondContact O-CG 3.32Å; L245-M249 PolarHBondContact O-N 3.28Å |
| 246 | A | 71.3 | Confident | 66.5 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.2 | -40.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D244 A250 | D244-A246 PolarHBondContact O-N 2.93Å; A246-A250 WeakPolarHBondContact O-CB 3.42Å; A246-A250 PolarHBondContact O-N 3.48Å |
| 247 | K | 76.6 | Confident | 69.1 | Low | 137 Ų | 137 | 110.6 Ų | 110.6 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.4 | -40.5 | 178.1 | -164.7 | 176.3 | 179.6 | -178 | 0 | 112.1 | D244 A250 D251 | D244-K247 HydrophobicContact CB-CB 4.04Å; D244-K247 WeakPolarHBondContact O-CA 3.47Å; D244-K247 WeakPolarHBondContact O-CB 3.44Å; D244-K247 PolarHBondContact O-N 2.97Å; K247-A250 PolarHBondContact O-N 3.47Å; K247-D251 WeakPolarHBondContact O-CB 3.28Å; K247-D251 VanDerWaalsContact O-CG 3.24Å; K247-D251 PolarHBondContact O-N 2.95Å |
| 248 | I | 78.4 | Confident | 71.4 | Confident | 54 Ų | 54 | 107.6 Ų | 107.6 | 28% | 0.277 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69 | -42.8 | 176 | -66.2 | -179.8 | 0 | 0 | 0 | 111.7 | Q243 D244 A250 D251 I252 | Q243-I248 HydrophobicContact CB-CD1 3.54Å; Q243-I248 HydrophobicContact CB-CG1 4.49Å; Q243-I248 VanDerWaalsContact CD-CD1 3.44Å; Q243-I248 HydrophobicContact CG-CD1 3.92Å; D244-I248 PolarHBondContact O-N 3.46Å; I248-A250 VanDerWaalsContact C-N 3.26Å; I248-A250 PolarHBondContact O-N 2.85Å; I248-D251 PolarHBondContact O-N 3.27Å; I248-I252 HydrophobicContact CG2-CD1 3.85Å; I248-I252 HydrophobicContact CG2-CG1 4.37Å; I248-I252 WeakPolarHBondContact O-CB 3.46Å; I248-I252 VanDerWaalsContact O-CG1 3.3Å; I248-I252 WeakPolarHBondContact O-CG1 3.4Å; I248-I252 PolarHBondContact O-N 3.19Å |
| 249 | M | 77.9 | Confident | 74 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 44% | 0.443 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -33.1 | 174.3 | -73 | -71.3 | -72.5 | 0 | 0 | 111.7 | L245 R253 | L245-M249 HydrophobicContact CG-CG 4.47Å; L245-M249 VanDerWaalsContact O-CB 3.24Å; L245-M249 WeakPolarHBondContact O-CB 3.36Å; L245-M249 WeakPolarHBondContact O-CG 3.32Å; L245-M249 PolarHBondContact O-N 3.28Å; M249-R253 WeakPolarHBondContact O-CB 3.47Å; M249-R253 VanDerWaalsContact O-CG 3.27Å; M249-R253 WeakPolarHBondContact O-CG 3.49Å; M249-R253 PolarHBondContact O-N 3.3Å; M249-R253 VanDerWaalsContact O-N 3.1Å |
| 250 | A | 83.5 | Confident | 76.5 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.1 | -41.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A246 K247 I248 R253 A254 | A246-A250 WeakPolarHBondContact O-CB 3.42Å; A246-A250 PolarHBondContact O-N 3.48Å; K247-A250 PolarHBondContact O-N 3.47Å; I248-A250 VanDerWaalsContact C-N 3.26Å; I248-A250 PolarHBondContact O-N 2.85Å; A250-R253 PolarHBondContact O-N 3.45Å; A250-A254 WeakPolarHBondContact O-CB 3.4Å; A250-A254 PolarHBondContact O-N 3.41Å |
| 251 | D | 85.5 | Confident | 78.7 | Confident | 83 Ų | 83 | 105.3 Ų | 105.3 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 177.6 | -73.5 | -16.2 | 0 | 0 | 0 | 111.7 | K247 I248 A254 Q255 | K247-D251 WeakPolarHBondContact O-CB 3.28Å; K247-D251 VanDerWaalsContact O-CG 3.24Å; K247-D251 PolarHBondContact O-N 2.95Å; I248-D251 PolarHBondContact O-N 3.27Å; D251-A254 PolarHBondContact O-N 2.9Å; D251-Q255 WeakPolarHBondContact O-CB 3.24Å; D251-Q255 VanDerWaalsContact O-CG 3.29Å; D251-Q255 WeakPolarHBondContact O-CG 3.31Å; D251-Q255 PolarHBondContact O-N 3.48Å |
| 252 | I | 85.8 | Confident | 80.8 | Confident | 73 Ų | 73 | 100.8 Ų | 100.8 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 174.2 | -68.9 | 169.3 | 0 | 0 | 0 | 110.2 | I248 Q255 Y256 | I248-I252 HydrophobicContact CG2-CD1 3.85Å; I248-I252 HydrophobicContact CG2-CG1 4.37Å; I248-I252 WeakPolarHBondContact O-CB 3.46Å; I248-I252 VanDerWaalsContact O-CG1 3.3Å; I248-I252 WeakPolarHBondContact O-CG1 3.4Å; I248-I252 PolarHBondContact O-N 3.19Å; I252-Q255 PolarHBondContact O-N 2.92Å; I252-Y256 HydrophobicContact CG2-CD2 3.81Å; I252-Y256 HydrophobicContact CG2-CE2 3.88Å; I252-Y256 WeakPolarHBondContact O-CD2 3.32Å; I252-Y256 PolarHBondContact O-N 2.62Å |
| 253 | R | 86.9 | Confident | 82.8 | Confident | 161 Ų | 161 | 99.2 Ų | 99.2 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 174.3 | -77.7 | 174.1 | -178 | 152.9 | 0.9 | 111.6 | M249 A250 Q255 Y256 D257 | M249-R253 WeakPolarHBondContact O-CB 3.47Å; M249-R253 VanDerWaalsContact O-CG 3.27Å; M249-R253 WeakPolarHBondContact O-CG 3.49Å; M249-R253 PolarHBondContact O-N 3.3Å; M249-R253 VanDerWaalsContact O-N 3.1Å; A250-R253 PolarHBondContact O-N 3.45Å; R253-Q255 VanDerWaalsContact C-N 3.3Å; R253-Q255 PolarHBondContact O-N 3.45Å; R253-Y256 PolarHBondContact O-N 3.24Å; R253-D257 WeakPolarHBondContact O-CB 3.08Å; R253-D257 VanDerWaalsContact O-CG 3.27Å; R253-D257 PolarHBondContact O-N 2.87Å |
| 254 | A | 88.9 | Confident | 84.5 | Confident | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A250 D251 E258 | A250-A254 WeakPolarHBondContact O-CB 3.4Å; A250-A254 PolarHBondContact O-N 3.41Å; D251-A254 PolarHBondContact O-N 2.9Å; A254-E258 WeakPolarHBondContact O-CB 3.43Å; A254-E258 PolarHBondContact O-N 3.16Å |
| 255 | Q | 88.7 | Confident | 86.1 | Confident | 137 Ų | 137 | 99.4 Ų | 99.4 | 64% | 0.64 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | 174.3 | -75.8 | 178.1 | -2 | 0 | 0 | 112.6 | D251 I252 R253 L259 | D251-Q255 WeakPolarHBondContact O-CB 3.24Å; D251-Q255 VanDerWaalsContact O-CG 3.29Å; D251-Q255 WeakPolarHBondContact O-CG 3.31Å; D251-Q255 PolarHBondContact O-N 3.48Å; I252-Q255 PolarHBondContact O-N 2.92Å; R253-Q255 VanDerWaalsContact C-N 3.3Å; R253-Q255 PolarHBondContact O-N 3.45Å; Q255-L259 VanDerWaalsContact O-CB 3.28Å; Q255-L259 WeakPolarHBondContact O-CB 3.33Å; Q255-L259 PolarHBondContact O-N 3.04Å |
| 256 | Y | 89.6 | Confident | 87.5 | Confident | 160 Ų | 160 | 99.1 Ų | 99.1 | 63% | 0.627 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.9 | -41.7 | 174.9 | -90.3 | -73.8 | 0 | 0 | 0 | 112.2 | I252 R253 E258 L259 A260 | I252-Y256 HydrophobicContact CG2-CD2 3.81Å; I252-Y256 HydrophobicContact CG2-CE2 3.88Å; I252-Y256 WeakPolarHBondContact O-CD2 3.32Å; I252-Y256 PolarHBondContact O-N 2.62Å; R253-Y256 PolarHBondContact O-N 3.24Å; Y256-E258 VanDerWaalsContact C-N 3.32Å; Y256-L259 PolarHBondContact O-N 2.88Å; Y256-A260 VanDerWaalsContact O-CB 3.28Å; Y256-A260 WeakPolarHBondContact O-CB 3.37Å; Y256-A260 PolarHBondContact O-N 3.38Å |
| 257 | D | 88.9 | Confident | 88.6 | Confident | 117 Ų | 117 | 99.9 Ų | 99.9 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -41.1 | 176 | -71.1 | -20.9 | 0 | 0 | 0 | 110.6 | R253 R261 | R253-D257 WeakPolarHBondContact O-CB 3.08Å; R253-D257 VanDerWaalsContact O-CG 3.27Å; R253-D257 PolarHBondContact O-N 2.87Å; D257-R261 VanDerWaalsContact O-CB 3.3Å; D257-R261 WeakPolarHBondContact O-CB 3.46Å; D257-R261 PolarHBondContact O-N 2.85Å |
| 258 | E | 92.1 | Very high | 89.4 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 34% | 0.336 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.5 | -179.5 | 61 | -170.8 | 0 | 0 | 112.3 | A254 Y256 R261 K262 | A254-E258 WeakPolarHBondContact O-CB 3.43Å; A254-E258 PolarHBondContact O-N 3.16Å; Y256-E258 VanDerWaalsContact C-N 3.32Å; E258-R261 VanDerWaalsContact CD-NH2 3.33Å; E258-R261 PolarHBondContact O-N 3.38Å; E258-R261 IonicContact OE1-CZ 2.62Å; E258-R261 IonicContact OE1-NE 3.3Å; E258-R261 IonicContact OE1-NH2 2.84Å; E258-R261 PolarHBondContact OE1-NH2 3.01Å; E258-R261 IonicContact OE2-CZ 2.79Å; E258-R261 IonicContact OE2-NE 3.11Å; E258-R261 PolarHBondContact OE2-NE 3.31Å; E258-R261 IonicContact OE2-NH2 3.8Å; E258-R261 PolarHBondContact OE2-NH2 2.91Å; E258-K262 WeakPolarHBondContact O-CB 3.45Å; E258-K262 WeakPolarHBondContact O-CG 3.43Å; E258-K262 PolarHBondContact O-N 3.24Å; E258-K262 WeakPolarHBondContact OE1-CE 3.35Å; E258-K262 IonicContact OE1-NZ 3.45Å |
| 259 | L | 92.6 | Very high | 90.2 | Very high | 106 Ų | 106 | 101.2 Ų | 101.2 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -41.9 | 175.7 | -176.9 | 64.1 | 0 | 0 | 0 | 111.5 | Q255 Y256 R261 K262 N263 | Q255-L259 VanDerWaalsContact O-CB 3.28Å; Q255-L259 WeakPolarHBondContact O-CB 3.33Å; Q255-L259 PolarHBondContact O-N 3.04Å; Y256-L259 PolarHBondContact O-N 2.88Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-K262 PolarHBondContact O-N 2.86Å; L259-N263 VanDerWaalsContact O-CB 3.31Å; L259-N263 WeakPolarHBondContact O-CB 3.48Å; L259-N263 PolarHBondContact O-N 2.92Å |
| 260 | A | 91 | Very high | 91 | Very high | 61 Ų | 61 | 102.9 Ų | 102.9 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y256 R264 | Y256-A260 VanDerWaalsContact O-CB 3.28Å; Y256-A260 WeakPolarHBondContact O-CB 3.37Å; Y256-A260 PolarHBondContact O-N 3.38Å; A260-R264 WeakPolarHBondContact O-CB 3.36Å; A260-R264 PolarHBondContact O-N 3.48Å |
| 261 | R | 92.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 107.7 Ų | 107.7 | 42% | 0.415 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 173.2 | -171.9 | -173.2 | 71.6 | 83.3 | 2.1 | 111.3 | D257 E258 L259 N263 R264 E265 | D257-R261 VanDerWaalsContact O-CB 3.3Å; D257-R261 WeakPolarHBondContact O-CB 3.46Å; D257-R261 PolarHBondContact O-N 2.85Å; E258-R261 VanDerWaalsContact CD-NH2 3.33Å; E258-R261 PolarHBondContact O-N 3.38Å; E258-R261 IonicContact OE1-CZ 2.62Å; E258-R261 IonicContact OE1-NE 3.3Å; E258-R261 IonicContact OE1-NH2 2.84Å; E258-R261 PolarHBondContact OE1-NH2 3.01Å; E258-R261 IonicContact OE2-CZ 2.79Å; E258-R261 IonicContact OE2-NE 3.11Å; E258-R261 PolarHBondContact OE2-NE 3.31Å; E258-R261 IonicContact OE2-NH2 3.8Å; E258-R261 PolarHBondContact OE2-NH2 2.91Å; L259-R261 VanDerWaalsContact C-N 3.34Å; R261-N263 PolarHBondContact O-N 3.38Å; R261-R264 PolarHBondContact O-N 2.86Å; R261-E265 IonicContact CZ-OE1 3.88Å; R261-E265 IonicContact CZ-OE2 3.91Å; R261-E265 IonicContact NH1-OE1 3.52Å; R261-E265 PolarHBondContact NH1-OE1 3.37Å; R261-E265 IonicContact NH1-OE2 3.07Å; R261-E265 PolarHBondContact NH1-OE2 2.9Å; R261-E265 WeakPolarHBondContact O-CG 3.17Å; R261-E265 PolarHBondContact O-N 3.5Å |
| 262 | K | 93.6 | Very high | 92 | Very high | 99 Ų | 99 | 107.3 Ų | 107.3 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 177.9 | -76.5 | -179.4 | -177.6 | 179 | 0 | 112.3 | E258 L259 R264 E265 E266 | E258-K262 WeakPolarHBondContact O-CB 3.45Å; E258-K262 WeakPolarHBondContact O-CG 3.43Å; E258-K262 PolarHBondContact O-N 3.24Å; E258-K262 WeakPolarHBondContact OE1-CE 3.35Å; E258-K262 IonicContact OE1-NZ 3.45Å; L259-K262 PolarHBondContact O-N 2.86Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.26Å; K262-E265 PolarHBondContact O-N 3.48Å; K262-E266 WeakPolarHBondContact O-CB 3.45Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 3Å |
| 263 | N | 92.7 | Very high | 92.5 | Very high | 86 Ų | 86 | 109.6 Ų | 109.6 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 179.1 | -167.8 | -8.8 | 0 | 0 | 0 | 111.3 | L259 R261 E266 L267 | L259-N263 VanDerWaalsContact O-CB 3.31Å; L259-N263 WeakPolarHBondContact O-CB 3.48Å; L259-N263 PolarHBondContact O-N 2.92Å; R261-N263 PolarHBondContact O-N 3.38Å; N263-E266 PolarHBondContact O-N 2.93Å; N263-L267 WeakPolarHBondContact O-CB 3.31Å; N263-L267 VanDerWaalsContact O-CG 3.32Å; N263-L267 WeakPolarHBondContact O-CG 3.32Å; N263-L267 PolarHBondContact O-N 3.32Å |
| 264 | R | 93.4 | Very high | 93 | Very high | 170 Ų | 170 | 105.5 Ų | 105.5 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 173.6 | -173.8 | -178.8 | 170.9 | 98.5 | 7.9 | 112 | A260 R261 K262 L267 D268 | A260-R264 WeakPolarHBondContact O-CB 3.36Å; A260-R264 PolarHBondContact O-N 3.48Å; R261-R264 PolarHBondContact O-N 2.86Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.26Å; R264-L267 PolarHBondContact O-N 3.31Å; R264-D268 IonicContact NE-OD2 3.21Å; R264-D268 WeakPolarHBondContact O-CB 3.26Å; R264-D268 PolarHBondContact O-N 2.93Å |
| 265 | E | 94.5 | Very high | 93.3 | Very high | 73 Ų | 73 | 108 Ų | 108 | 34% | 0.341 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 177.7 | -74.5 | 173.5 | -171.5 | 0 | 0 | 112.7 | R261 K262 K269 | R261-E265 IonicContact CZ-OE1 3.88Å; R261-E265 IonicContact CZ-OE2 3.91Å; R261-E265 IonicContact NH1-OE1 3.52Å; R261-E265 PolarHBondContact NH1-OE1 3.37Å; R261-E265 IonicContact NH1-OE2 3.07Å; R261-E265 PolarHBondContact NH1-OE2 2.9Å; R261-E265 WeakPolarHBondContact O-CG 3.17Å; R261-E265 PolarHBondContact O-N 3.5Å; K262-E265 PolarHBondContact O-N 3.48Å; E265-K269 WeakPolarHBondContact O-CB 3.25Å; E265-K269 WeakPolarHBondContact O-CD 3.42Å; E265-K269 WeakPolarHBondContact O-CG 3.43Å; E265-K269 PolarHBondContact O-N 3.32Å |
| 266 | E | 93.9 | Very high | 93.7 | Very high | 124 Ų | 124 | 108 Ų | 108 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 175.7 | -75 | 172.3 | -173.2 | 0 | 0 | 111.6 | K262 N263 K269 Y270 | K262-E266 WeakPolarHBondContact O-CB 3.45Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 3Å; N263-E266 PolarHBondContact O-N 2.93Å; E266-K269 PolarHBondContact O-N 2.91Å; E266-Y270 VanDerWaalsContact O-CB 3.29Å; E266-Y270 WeakPolarHBondContact O-CB 3.24Å; E266-Y270 PolarHBondContact O-N 3.15Å |
| 267 | L | 94.1 | Very high | 94 | Very high | 81 Ų | 81 | 105.2 Ų | 105.2 | 42% | 0.424 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 173.5 | -76.8 | 167.3 | 0 | 0 | 0 | 111.7 | N263 R264 K269 Y270 W271 | N263-L267 WeakPolarHBondContact O-CB 3.31Å; N263-L267 VanDerWaalsContact O-CG 3.32Å; N263-L267 WeakPolarHBondContact O-CG 3.32Å; N263-L267 PolarHBondContact O-N 3.32Å; R264-L267 PolarHBondContact O-N 3.31Å; L267-K269 VanDerWaalsContact C-N 3.31Å; L267-K269 PolarHBondContact O-N 3.47Å; L267-Y270 PolarHBondContact O-N 2.97Å; L267-W271 WeakPolarHBondContact O-CB 3.46Å; L267-W271 PolarHBondContact O-N 3.03Å |
| 268 | D | 93.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 102.8 Ų | 102.8 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 178.5 | -75.5 | -17.2 | 0 | 0 | 0 | 110.8 | R264 S272 | R264-D268 IonicContact NE-OD2 3.21Å; R264-D268 WeakPolarHBondContact O-CB 3.26Å; R264-D268 PolarHBondContact O-N 2.93Å; D268-S272 WeakPolarHBondContact O-CB 3.5Å; D268-S272 PolarHBondContact O-N 2.89Å; D268-S272 PolarHBondContact O-OG 3.45Å |
| 269 | K | 94.8 | Very high | 94.5 | Very high | 138 Ų | 138 | 102.9 Ų | 102.9 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.1 | -46.3 | 173.8 | -75.2 | 169.6 | -173.2 | 173.1 | 0 | 112.2 | E265 E266 L267 S272 Q273 | E265-K269 WeakPolarHBondContact O-CB 3.25Å; E265-K269 WeakPolarHBondContact O-CD 3.42Å; E265-K269 WeakPolarHBondContact O-CG 3.43Å; E265-K269 PolarHBondContact O-N 3.32Å; E266-K269 PolarHBondContact O-N 2.91Å; L267-K269 VanDerWaalsContact C-N 3.31Å; L267-K269 PolarHBondContact O-N 3.47Å; K269-S272 PolarHBondContact O-N 3.18Å; K269-Q273 VanDerWaalsContact O-CB 3.31Å; K269-Q273 WeakPolarHBondContact O-CB 3.35Å; K269-Q273 PolarHBondContact O-N 2.99Å |
| 270 | Y | 95.6 | Very high | 94.6 | Very high | 126 Ų | 126 | 101.2 Ų | 101.2 | 49% | 0.494 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 179.2 | 176.8 | -100.7 | 0 | 0 | 0 | 111.6 | E266 L267 Q273 Q274 | E266-Y270 VanDerWaalsContact O-CB 3.29Å; E266-Y270 WeakPolarHBondContact O-CB 3.24Å; E266-Y270 PolarHBondContact O-N 3.15Å; L267-Y270 PolarHBondContact O-N 2.97Å; Y270-Q273 PolarHBondContact O-N 3.42Å; Y270-Q274 HydrophobicContact CE1-CG 4.34Å; Y270-Q274 HydrophobicContact CE2-CG 4.43Å; Y270-Q274 PolarHBondContact O-N 3.34Å |
| 271 | W | 94.4 | Very high | 94.8 | Very high | 151 Ų | 151 | 101.3 Ų | 101.3 | 57% | 0.572 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.3 | -40 | 176.9 | -73.5 | 122.1 | 0 | 0 | 0 | 112.5 | L267 Q273 Q274 I275 | L267-W271 WeakPolarHBondContact O-CB 3.46Å; L267-W271 PolarHBondContact O-N 3.03Å; W271-Q273 VanDerWaalsContact C-N 3.34Å; W271-Q274 PolarHBondContact O-N 3.28Å; W271-I275 WeakPolarHBondContact O-CB 3.26Å; W271-I275 VanDerWaalsContact O-CG1 3.25Å; W271-I275 WeakPolarHBondContact O-CG1 3.46Å; W271-I275 PolarHBondContact O-N 3.45Å |
| 272 | S | 95.5 | Very high | 95 | Very high | 74 Ų | 74 | 100 Ų | 100 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | D268 K269 I275 E276 | D268-S272 WeakPolarHBondContact O-CB 3.5Å; D268-S272 PolarHBondContact O-N 2.89Å; D268-S272 PolarHBondContact O-OG 3.45Å; K269-S272 PolarHBondContact O-N 3.18Å; S272-I275 PolarHBondContact O-N 3.47Å; S272-E276 WeakPolarHBondContact O-CB 3.42Å; S272-E276 PolarHBondContact O-N 3.35Å |
| 273 | Q | 96.3 | Very high | 95.1 | Very high | 122 Ų | 122 | 99.1 Ų | 99.1 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 176.8 | -174.4 | 177.9 | 8.6 | 0 | 0 | 111.7 | K269 Y270 W271 I275 E276 E277 | K269-Q273 VanDerWaalsContact O-CB 3.31Å; K269-Q273 WeakPolarHBondContact O-CB 3.35Å; K269-Q273 PolarHBondContact O-N 2.99Å; Y270-Q273 PolarHBondContact O-N 3.42Å; W271-Q273 VanDerWaalsContact C-N 3.34Å; Q273-I275 PolarHBondContact O-N 3.49Å; Q273-E276 PolarHBondContact O-N 2.92Å; Q273-E277 WeakPolarHBondContact O-CB 3.34Å; Q273-E277 PolarHBondContact O-N 2.84Å |
| 274 | Q | 96.6 | Very high | 95.3 | Very high | 74 Ų | 74 | 98.6 Ų | 98.6 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 177 | -87.1 | -57.8 | -36.6 | 0 | 0 | 113.2 | Y270 W271 E277 S278 | Y270-Q274 HydrophobicContact CE1-CG 4.34Å; Y270-Q274 HydrophobicContact CE2-CG 4.43Å; Y270-Q274 PolarHBondContact O-N 3.34Å; W271-Q274 PolarHBondContact O-N 3.28Å; Q274-E277 PolarHBondContact NE2-OE2 3.28Å; Q274-S278 VanDerWaalsContact O-CB 3.25Å; Q274-S278 WeakPolarHBondContact O-CB 3.48Å; Q274-S278 PolarHBondContact O-N 2.88Å |
| 275 | I | 96.1 | Very high | 95.4 | Very high | 107 Ų | 107 | 95.7 Ų | 95.7 | 55% | 0.549 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 174.5 | -69.6 | 165.9 | 0 | 0 | 0 | 110.4 | W271 S272 Q273 S278 T279 | W271-I275 WeakPolarHBondContact O-CB 3.26Å; W271-I275 VanDerWaalsContact O-CG1 3.25Å; W271-I275 WeakPolarHBondContact O-CG1 3.46Å; W271-I275 PolarHBondContact O-N 3.45Å; S272-I275 PolarHBondContact O-N 3.47Å; Q273-I275 PolarHBondContact O-N 3.49Å; I275-S278 PolarHBondContact O-N 3.26Å; I275-T279 WeakPolarHBondContact O-CB 3.49Å; I275-T279 PolarHBondContact O-N 2.92Å; I275-T279 PolarHBondContact O-OG1 3.22Å |
| 276 | E | 95.8 | Very high | 95.5 | Very high | 136 Ų | 136 | 96.1 Ų | 96.1 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -46.5 | 177.8 | -172.5 | 173 | -172.1 | 0 | 0 | 111.5 | S272 Q273 T279 T280 | S272-E276 WeakPolarHBondContact O-CB 3.42Å; S272-E276 PolarHBondContact O-N 3.35Å; Q273-E276 PolarHBondContact O-N 2.92Å; E276-T279 PolarHBondContact O-N 3.49Å; E276-T280 WeakPolarHBondContact O-CB 3.38Å; E276-T280 VanDerWaalsContact O-CG2 3.28Å; E276-T280 WeakPolarHBondContact O-CG2 3.44Å; E276-T280 PolarHBondContact O-N 2.92Å; E276-T280 PolarHBondContact O-OG1 2.92Å |
| 277 | E | 95.8 | Very high | 95.6 | Very high | 101 Ų | 101 | 93.4 Ų | 93.4 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 174.8 | -173.3 | 177.7 | -167.9 | 0 | 0 | 111 | Q273 Q274 T279 T280 V281 | Q273-E277 WeakPolarHBondContact O-CB 3.34Å; Q273-E277 PolarHBondContact O-N 2.84Å; Q274-E277 PolarHBondContact NE2-OE2 3.28Å; E277-T279 VanDerWaalsContact C-N 3.31Å; E277-T279 PolarHBondContact O-N 3.32Å; E277-T280 WeakPolarHBondContact CA-OG1 3.29Å; E277-T280 PolarHBondContact O-N 2.94Å; E277-T280 PolarHBondContact O-OG1 3.29Å; E277-V281 WeakPolarHBondContact O-CG2 3.47Å; E277-V281 PolarHBondContact O-N 3.32Å |
| 278 | S | 95.2 | Very high | 95.7 | Very high | 66 Ų | 66 | 96 Ų | 96 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | Q274 I275 V282 | Q274-S278 VanDerWaalsContact O-CB 3.25Å; Q274-S278 WeakPolarHBondContact O-CB 3.48Å; Q274-S278 PolarHBondContact O-N 2.88Å; I275-S278 PolarHBondContact O-N 3.26Å; S278-V282 WeakPolarHBondContact O-CB 3.03Å; S278-V282 WeakPolarHBondContact O-CG2 3.39Å; S278-V282 PolarHBondContact O-N 3.49Å |
| 279 | T | 96.1 | Very high | 95.9 | Very high | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.7 | -39.5 | 179.8 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | I275 E276 E277 V282 T283 | I275-T279 WeakPolarHBondContact O-CB 3.49Å; I275-T279 PolarHBondContact O-N 2.92Å; I275-T279 PolarHBondContact O-OG1 3.22Å; E276-T279 PolarHBondContact O-N 3.49Å; E277-T279 VanDerWaalsContact C-N 3.31Å; E277-T279 PolarHBondContact O-N 3.32Å; T279-V282 PolarHBondContact O-N 2.97Å; T279-T283 HydrophobicContact CG2-CG2 4.39Å; T279-T283 WeakPolarHBondContact O-CB 3.42Å; T279-T283 VanDerWaalsContact O-CG2 3.26Å; T279-T283 WeakPolarHBondContact O-CG2 3.21Å; T279-T283 PolarHBondContact O-N 2.77Å; T279-T283 PolarHBondContact O-OG1 3.45Å |
| 280 | T | 95.5 | Very high | 96 | Very high | 70 Ų | 70 | 91 Ų | 91 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.8 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | E276 E277 T283 T284 | E276-T280 WeakPolarHBondContact O-CB 3.38Å; E276-T280 VanDerWaalsContact O-CG2 3.28Å; E276-T280 WeakPolarHBondContact O-CG2 3.44Å; E276-T280 PolarHBondContact O-N 2.92Å; E276-T280 PolarHBondContact O-OG1 2.92Å; E277-T280 WeakPolarHBondContact CA-OG1 3.29Å; E277-T280 PolarHBondContact O-N 2.94Å; E277-T280 PolarHBondContact O-OG1 3.29Å; T280-T283 WeakPolarHBondContact CA-OG1 3.44Å; T280-T283 PolarHBondContact O-N 2.88Å; T280-T283 PolarHBondContact O-OG1 3.45Å; T280-T284 WeakPolarHBondContact O-CB 3.39Å; T280-T284 VanDerWaalsContact O-CG2 3.28Å; T280-T284 WeakPolarHBondContact O-CG2 3.33Å; T280-T284 PolarHBondContact O-N 2.89Å; T280-T284 PolarHBondContact O-OG1 2.89Å |
| 281 | V | 96.1 | Very high | 96 | Very high | 63 Ų | 63 | 87.5 Ų | 87.5 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 173.6 | 174 | 0 | 0 | 0 | 0 | 111.7 | E277 T283 T284 Q285 | E277-V281 WeakPolarHBondContact O-CG2 3.47Å; E277-V281 PolarHBondContact O-N 3.32Å; V281-T283 VanDerWaalsContact C-N 3.35Å; V281-T283 PolarHBondContact O-N 3Å; V281-T284 WeakPolarHBondContact CA-OG1 3.43Å; V281-T284 PolarHBondContact O-N 2.92Å; V281-T284 PolarHBondContact O-OG1 2.88Å; V281-Q285 HydrophobicContact CG1-CG 4.31Å; V281-Q285 WeakPolarHBondContact O-CB 3.45Å; V281-Q285 VanDerWaalsContact O-CG 3.31Å; V281-Q285 WeakPolarHBondContact O-CG 3.39Å; V281-Q285 PolarHBondContact O-N 3.24Å |
| 282 | V | 96.3 | Very high | 96.1 | Very high | 84 Ų | 84 | 83 Ų | 83 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 179.1 | 169 | 0 | 0 | 0 | 0 | 111.7 | S278 T279 S286 | S278-V282 WeakPolarHBondContact O-CB 3.03Å; S278-V282 WeakPolarHBondContact O-CG2 3.39Å; S278-V282 PolarHBondContact O-N 3.49Å; T279-V282 PolarHBondContact O-N 2.97Å; V282-S286 WeakPolarHBondContact O-CB 3.37Å; V282-S286 PolarHBondContact O-N 3.44Å |
| 283 | T | 95.8 | Very high | 96.2 | Very high | 80 Ų | 80 | 85.4 Ų | 85.4 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 179.3 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | T279 T280 V281 A287 | T279-T283 HydrophobicContact CG2-CG2 4.39Å; T279-T283 WeakPolarHBondContact O-CB 3.42Å; T279-T283 VanDerWaalsContact O-CG2 3.26Å; T279-T283 WeakPolarHBondContact O-CG2 3.21Å; T279-T283 PolarHBondContact O-N 2.77Å; T279-T283 PolarHBondContact O-OG1 3.45Å; T280-T283 WeakPolarHBondContact CA-OG1 3.44Å; T280-T283 PolarHBondContact O-N 2.88Å; T280-T283 PolarHBondContact O-OG1 3.45Å; V281-T283 VanDerWaalsContact C-N 3.35Å; V281-T283 PolarHBondContact O-N 3Å; T283-A287 WeakPolarHBondContact O-CB 3.34Å; T283-A287 PolarHBondContact O-N 3.39Å |
| 284 | T | 95.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 83.1 Ų | 83.1 | 45% | 0.454 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -49.1 | 174.5 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | T280 V281 S286 A287 E288 | T280-T284 WeakPolarHBondContact O-CB 3.39Å; T280-T284 VanDerWaalsContact O-CG2 3.28Å; T280-T284 WeakPolarHBondContact O-CG2 3.33Å; T280-T284 PolarHBondContact O-N 2.89Å; T280-T284 PolarHBondContact O-OG1 2.89Å; V281-T284 WeakPolarHBondContact CA-OG1 3.43Å; V281-T284 PolarHBondContact O-N 2.92Å; V281-T284 PolarHBondContact O-OG1 2.88Å; T284-S286 VanDerWaalsContact C-N 3.32Å; T284-S286 PolarHBondContact O-N 3.3Å; T284-A287 WeakPolarHBondContact O-CB 3.49Å; T284-A287 PolarHBondContact O-N 3.01Å; T284-A287 VanDerWaalsContact O-N 3.14Å; T284-E288 WeakPolarHBondContact O-CG 3.42Å; T284-E288 PolarHBondContact O-N 3.09Å |
| 285 | Q | 96.2 | Very high | 96.2 | Very high | 109 Ų | 109 | 83 Ų | 83 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 175.7 | -72.7 | 178.9 | -3.4 | 0 | 0 | 112.2 | V281 A287 E288 V289 | V281-Q285 HydrophobicContact CG1-CG 4.31Å; V281-Q285 WeakPolarHBondContact O-CB 3.45Å; V281-Q285 VanDerWaalsContact O-CG 3.31Å; V281-Q285 WeakPolarHBondContact O-CG 3.39Å; V281-Q285 PolarHBondContact O-N 3.24Å; Q285-A287 VanDerWaalsContact C-N 3.34Å; Q285-A287 PolarHBondContact O-N 2.87Å; Q285-E288 PolarHBondContact O-N 3.02Å; Q285-V289 WeakPolarHBondContact O-CB 3.38Å; Q285-V289 VanDerWaalsContact O-CG2 3.27Å; Q285-V289 WeakPolarHBondContact O-CG2 3.21Å; Q285-V289 PolarHBondContact O-N 3.39Å |
| 286 | S | 96.7 | Very high | 96.3 | Very high | 83 Ų | 83 | 81.7 Ų | 81.7 | 58% | 0.58 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | V282 T284 G290 | V282-S286 WeakPolarHBondContact O-CB 3.37Å; V282-S286 PolarHBondContact O-N 3.44Å; T284-S286 VanDerWaalsContact C-N 3.32Å; T284-S286 PolarHBondContact O-N 3.3Å; S286-G290 PolarHBondContact O-N 3.33Å |
| 287 | A | 95.6 | Very high | 96.4 | Very high | 67 Ų | 67 | 77.8 Ų | 77.8 | 55% | 0.554 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T283 T284 Q285 G290 A291 | T283-A287 WeakPolarHBondContact O-CB 3.34Å; T283-A287 PolarHBondContact O-N 3.39Å; T284-A287 WeakPolarHBondContact O-CB 3.49Å; T284-A287 PolarHBondContact O-N 3.01Å; T284-A287 VanDerWaalsContact O-N 3.14Å; Q285-A287 VanDerWaalsContact C-N 3.34Å; Q285-A287 PolarHBondContact O-N 2.87Å; A287-G290 PolarHBondContact O-N 3.24Å; A287-A291 PolarHBondContact O-N 3.08Å |
| 288 | E | 95.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 78.5 Ų | 78.5 | 63% | 0.631 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 175.7 | -72.8 | 176.9 | -174.9 | 0 | 0 | 111.9 | T284 Q285 A291 A292 | T284-E288 WeakPolarHBondContact O-CG 3.42Å; T284-E288 PolarHBondContact O-N 3.09Å; Q285-E288 PolarHBondContact O-N 3.02Å; E288-A291 PolarHBondContact O-N 3.44Å; E288-A292 WeakPolarHBondContact O-CB 3.4Å; E288-A292 PolarHBondContact O-N 2.91Å |
| 289 | V | 97.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 80.5 Ų | 80.5 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | Q285 A291 A292 E293 | Q285-V289 WeakPolarHBondContact O-CB 3.38Å; Q285-V289 VanDerWaalsContact O-CG2 3.27Å; Q285-V289 WeakPolarHBondContact O-CG2 3.21Å; Q285-V289 PolarHBondContact O-N 3.39Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.93Å; V289-A292 PolarHBondContact O-N 3.33Å; V289-E293 HydrophobicContact CG1-CG 4.43Å; V289-E293 WeakPolarHBondContact O-CG 3.34Å; V289-E293 PolarHBondContact O-N 3.13Å |
| 290 | G | 97.3 | Very high | 96.5 | Very high | 29 Ų | 29 | 84.3 Ų | 84.3 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S286 A287 E293 T294 | S286-G290 PolarHBondContact O-N 3.33Å; A287-G290 PolarHBondContact O-N 3.24Å; G290-E293 PolarHBondContact O-N 3.36Å; G290-T294 WeakPolarHBondContact O-CG2 3.38Å; G290-T294 PolarHBondContact O-N 3.42Å; G290-T294 PolarHBondContact O-OG1 3.43Å |
| 291 | A | 96 | Very high | 96.6 | Very high | 54 Ų | 54 | 88.6 Ų | 88.6 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A287 E288 V289 T294 T295 | A287-A291 PolarHBondContact O-N 3.08Å; E288-A291 PolarHBondContact O-N 3.44Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.93Å; A291-T294 PolarHBondContact O-OG1 2.88Å; A291-T295 VanDerWaalsContact O-CG2 3.3Å; A291-T295 WeakPolarHBondContact O-CG2 3.4Å; A291-T295 PolarHBondContact O-N 3.13Å; A291-T295 VanDerWaalsContact O-N 3.11Å; A291-T295 PolarHBondContact O-OG1 3.03Å |
| 292 | A | 95.7 | Very high | 96.6 | Very high | 55 Ų | 55 | 89.1 Ų | 89.1 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E288 V289 T295 L296 | E288-A292 WeakPolarHBondContact O-CB 3.4Å; E288-A292 PolarHBondContact O-N 2.91Å; V289-A292 PolarHBondContact O-N 3.33Å; A292-T295 WeakPolarHBondContact CA-OG1 3.49Å; A292-T295 PolarHBondContact O-OG1 3.2Å; A292-L296 WeakPolarHBondContact O-CB 3.45Å; A292-L296 PolarHBondContact O-N 3.42Å |
| 293 | E | 97.9 | Very high | 96.7 | Very high | 126 Ų | 126 | 88.6 Ų | 88.6 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -45.7 | 175.4 | -75.2 | -175.1 | 166.9 | 0 | 0 | 112 | V289 G290 L296 T297 | V289-E293 HydrophobicContact CG1-CG 4.43Å; V289-E293 WeakPolarHBondContact O-CG 3.34Å; V289-E293 PolarHBondContact O-N 3.13Å; G290-E293 PolarHBondContact O-N 3.36Å; E293-L296 PolarHBondContact O-N 2.97Å; E293-T297 WeakPolarHBondContact O-CG2 3.47Å; E293-T297 PolarHBondContact O-N 3.31Å |
| 294 | T | 96.7 | Very high | 96.7 | Very high | 73 Ų | 73 | 90.3 Ų | 90.3 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | G290 A291 L296 T297 E298 | G290-T294 WeakPolarHBondContact O-CG2 3.38Å; G290-T294 PolarHBondContact O-N 3.42Å; G290-T294 PolarHBondContact O-OG1 3.43Å; A291-T294 PolarHBondContact O-OG1 2.88Å; T294-L296 VanDerWaalsContact C-N 3.3Å; T294-L296 PolarHBondContact O-N 3.25Å; T294-T297 PolarHBondContact O-N 2.93Å; T294-T297 VanDerWaalsContact O-N 3.07Å; T294-T297 PolarHBondContact O-OG1 3.17Å; T294-E298 WeakPolarHBondContact O-CG 3.48Å; T294-E298 PolarHBondContact O-N 3.38Å |
| 295 | T | 96.7 | Very high | 96.7 | Very high | 72 Ų | 72 | 89.7 Ų | 89.7 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 176.9 | 55.3 | 0 | 0 | 0 | 0 | 112 | A291 A292 E298 L299 | A291-T295 VanDerWaalsContact O-CG2 3.3Å; A291-T295 WeakPolarHBondContact O-CG2 3.4Å; A291-T295 PolarHBondContact O-N 3.13Å; A291-T295 VanDerWaalsContact O-N 3.11Å; A291-T295 PolarHBondContact O-OG1 3.03Å; A292-T295 WeakPolarHBondContact CA-OG1 3.49Å; A292-T295 PolarHBondContact O-OG1 3.2Å; T295-E298 PolarHBondContact O-N 3.33Å; T295-L299 WeakPolarHBondContact O-CB 3.44Å; T295-L299 WeakPolarHBondContact O-CD1 3.33Å; T295-L299 WeakPolarHBondContact O-CG 3.33Å; T295-L299 PolarHBondContact O-N 2.91Å |
| 296 | L | 97.9 | Very high | 96.6 | Very high | 80 Ų | 80 | 90 Ų | 90 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 174.5 | 179.7 | 141.4 | 0 | 0 | 0 | 112.3 | A292 E293 T294 R300 | A292-L296 WeakPolarHBondContact O-CB 3.45Å; A292-L296 PolarHBondContact O-N 3.42Å; E293-L296 PolarHBondContact O-N 2.97Å; T294-L296 VanDerWaalsContact C-N 3.3Å; T294-L296 PolarHBondContact O-N 3.25Å; L296-R300 VanDerWaalsContact CD2-CZ 3.44Å; L296-R300 WeakPolarHBondContact O-CB 3.38Å; L296-R300 WeakPolarHBondContact O-CG 3.48Å; L296-R300 PolarHBondContact O-N 3.06Å |
| 297 | T | 97.7 | Very high | 96.6 | Very high | 53 Ų | 53 | 91.3 Ų | 91.3 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -33.4 | 174.1 | 69.1 | 0 | 0 | 0 | 0 | 113 | E293 T294 R301 | E293-T297 WeakPolarHBondContact O-CG2 3.47Å; E293-T297 PolarHBondContact O-N 3.31Å; T294-T297 PolarHBondContact O-N 2.93Å; T294-T297 VanDerWaalsContact O-N 3.07Å; T294-T297 PolarHBondContact O-OG1 3.17Å; T297-R301 WeakPolarHBondContact O-CG 3.37Å; T297-R301 PolarHBondContact O-N 2.89Å; T297-R301 PolarHBondContact O-NH1 3.46Å; T297-R301 PolarHBondContact OG1-NH1 2.97Å; T297-R301 VanDerWaalsContact OG1-NH1 3.12Å |
| 298 | E | 96.9 | Very high | 96.7 | Very high | 116 Ų | 116 | 93.6 Ų | 93.6 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -48.6 | 173.6 | -73.5 | 175.8 | -175.7 | 0 | 0 | 110.8 | T294 T295 R300 R301 T302 | T294-E298 WeakPolarHBondContact O-CG 3.48Å; T294-E298 PolarHBondContact O-N 3.38Å; T295-E298 PolarHBondContact O-N 3.33Å; E298-R300 VanDerWaalsContact C-N 3.3Å; E298-R300 PolarHBondContact O-N 2.9Å; E298-R301 WeakPolarHBondContact O-CA 3.38Å; E298-R301 WeakPolarHBondContact O-CB 3.42Å; E298-R301 PolarHBondContact O-N 2.73Å; E298-T302 WeakPolarHBondContact O-CG2 3.29Å; E298-T302 PolarHBondContact O-N 2.94Å |
| 299 | L | 96.4 | Very high | 96.6 | Very high | 109 Ų | 109 | 91.1 Ų | 91.1 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57 | -41.2 | 173.9 | -82.7 | 155.4 | 0 | 0 | 0 | 112.2 | T295 R301 T302 V303 | T295-L299 WeakPolarHBondContact O-CB 3.44Å; T295-L299 WeakPolarHBondContact O-CD1 3.33Å; T295-L299 WeakPolarHBondContact O-CG 3.33Å; T295-L299 PolarHBondContact O-N 2.91Å; L299-R301 VanDerWaalsContact C-N 3.35Å; L299-R301 PolarHBondContact O-N 3.04Å; L299-T302 WeakPolarHBondContact CA-OG1 3.42Å; L299-T302 PolarHBondContact O-N 3.2Å; L299-T302 PolarHBondContact O-OG1 3.24Å; L299-V303 VanDerWaalsContact O-CG2 3.28Å; L299-V303 WeakPolarHBondContact O-CG2 3.44Å; L299-V303 PolarHBondContact O-N 3.23Å |
| 300 | R | 97.6 | Very high | 96.5 | Very high | 155 Ų | 155 | 91 Ų | 91 | 59% | 0.585 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 174 | -78.3 | 177.6 | 177 | 167.7 | 1.1 | 112.3 | L296 E298 Q304 | L296-R300 VanDerWaalsContact CD2-CZ 3.44Å; L296-R300 WeakPolarHBondContact O-CB 3.38Å; L296-R300 WeakPolarHBondContact O-CG 3.48Å; L296-R300 PolarHBondContact O-N 3.06Å; E298-R300 VanDerWaalsContact C-N 3.3Å; E298-R300 PolarHBondContact O-N 2.9Å; R300-Q304 WeakPolarHBondContact O-CG 3.4Å; R300-Q304 PolarHBondContact O-N 3.22Å |
| 301 | R | 96.8 | Very high | 96.5 | Very high | 159 Ų | 159 | 93.3 Ų | 93.3 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -40.5 | 176.2 | -73.5 | 179.2 | -176.8 | 97.4 | -2.6 | 111.8 | T297 E298 L299 Q304 S305 | T297-R301 WeakPolarHBondContact O-CG 3.37Å; T297-R301 PolarHBondContact O-N 2.89Å; T297-R301 PolarHBondContact O-NH1 3.46Å; T297-R301 PolarHBondContact OG1-NH1 2.97Å; T297-R301 VanDerWaalsContact OG1-NH1 3.12Å; E298-R301 WeakPolarHBondContact O-CA 3.38Å; E298-R301 WeakPolarHBondContact O-CB 3.42Å; E298-R301 PolarHBondContact O-N 2.73Å; L299-R301 VanDerWaalsContact C-N 3.35Å; L299-R301 PolarHBondContact O-N 3.04Å; R301-Q304 PolarHBondContact O-N 3.28Å; R301-S305 WeakPolarHBondContact O-CB 3.46Å; R301-S305 PolarHBondContact O-N 2.94Å |
| 302 | T | 96.4 | Very high | 96.4 | Very high | 75 Ų | 75 | 93.6 Ų | 93.6 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 177.5 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | E298 L299 S305 L306 | E298-T302 WeakPolarHBondContact O-CG2 3.29Å; E298-T302 PolarHBondContact O-N 2.94Å; L299-T302 WeakPolarHBondContact CA-OG1 3.42Å; L299-T302 PolarHBondContact O-N 3.2Å; L299-T302 PolarHBondContact O-OG1 3.24Å; T302-S305 PolarHBondContact O-N 2.89Å; T302-L306 WeakPolarHBondContact O-CB 3.46Å; T302-L306 WeakPolarHBondContact O-CG 3.47Å; T302-L306 PolarHBondContact O-N 3.18Å |
| 303 | V | 97.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 96.6 Ų | 96.6 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -49 | 173.9 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L299 S305 L306 E307 | L299-V303 VanDerWaalsContact O-CG2 3.28Å; L299-V303 WeakPolarHBondContact O-CG2 3.44Å; L299-V303 PolarHBondContact O-N 3.23Å; V303-S305 VanDerWaalsContact C-N 3.33Å; V303-S305 PolarHBondContact O-N 3.22Å; V303-L306 PolarHBondContact O-N 3.12Å; V303-E307 HydrophobicContact CG1-CG 4.4Å; V303-E307 WeakPolarHBondContact O-CG 3.21Å; V303-E307 PolarHBondContact O-N 3.17Å |
| 304 | Q | 97.1 | Very high | 96.1 | Very high | 115 Ų | 115 | 97.7 Ų | 97.7 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 177.7 | -73.9 | 174.9 | -1.9 | 0 | 0 | 112.4 | R300 R301 E307 I308 | R300-Q304 WeakPolarHBondContact O-CG 3.4Å; R300-Q304 PolarHBondContact O-N 3.22Å; R301-Q304 PolarHBondContact O-N 3.28Å; Q304-E307 PolarHBondContact O-N 3.48Å; Q304-I308 VanDerWaalsContact O-CG1 3.27Å; Q304-I308 WeakPolarHBondContact O-CG1 3.32Å; Q304-I308 PolarHBondContact O-N 2.93Å |
| 305 | S | 95.4 | Very high | 96 | Very high | 61 Ų | 61 | 99.8 Ų | 99.8 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | R301 T302 V303 E307 I308 D309 | R301-S305 WeakPolarHBondContact O-CB 3.46Å; R301-S305 PolarHBondContact O-N 2.94Å; T302-S305 PolarHBondContact O-N 2.89Å; V303-S305 VanDerWaalsContact C-N 3.33Å; V303-S305 PolarHBondContact O-N 3.22Å; S305-E307 VanDerWaalsContact C-N 3.34Å; S305-E307 PolarHBondContact O-N 3.36Å; S305-I308 PolarHBondContact O-N 3.36Å; S305-D309 VanDerWaalsContact O-CG 3.3Å; S305-D309 PolarHBondContact O-N 3.49Å |
| 306 | L | 94.1 | Very high | 96 | Very high | 115 Ų | 115 | 100.4 Ų | 100.4 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -36.7 | 178.7 | -71.1 | 173 | 0 | 0 | 0 | 112 | T302 V303 D309 L310 | T302-L306 WeakPolarHBondContact O-CB 3.46Å; T302-L306 WeakPolarHBondContact O-CG 3.47Å; T302-L306 PolarHBondContact O-N 3.18Å; V303-L306 PolarHBondContact O-N 3.12Å; L306-D309 PolarHBondContact O-N 3.24Å; L306-L310 WeakPolarHBondContact O-CB 3.18Å; L306-L310 PolarHBondContact O-N 2.94Å |
| 307 | E | 96.1 | Very high | 95.9 | Very high | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 173.7 | -74.5 | 174.2 | 164.1 | 0 | 0 | 111.6 | V303 Q304 S305 L310 D311 | V303-E307 HydrophobicContact CG1-CG 4.4Å; V303-E307 WeakPolarHBondContact O-CG 3.21Å; V303-E307 PolarHBondContact O-N 3.17Å; Q304-E307 PolarHBondContact O-N 3.48Å; S305-E307 VanDerWaalsContact C-N 3.34Å; S305-E307 PolarHBondContact O-N 3.36Å; E307-L310 PolarHBondContact O-N 3.04Å; E307-D311 PolarHBondContact O-N 2.93Å |
| 308 | I | 96.7 | Very high | 95.9 | Very high | 116 Ų | 116 | 102.3 Ų | 102.3 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -46 | 175.8 | -67.8 | 164.2 | 0 | 0 | 0 | 110.8 | Q304 S305 L310 D311 S312 | Q304-I308 VanDerWaalsContact O-CG1 3.27Å; Q304-I308 WeakPolarHBondContact O-CG1 3.32Å; Q304-I308 PolarHBondContact O-N 2.93Å; S305-I308 PolarHBondContact O-N 3.36Å; I308-L310 VanDerWaalsContact C-N 3.3Å; I308-L310 PolarHBondContact O-N 3.31Å; I308-D311 PolarHBondContact O-N 3.36Å; I308-S312 WeakPolarHBondContact O-CB 3.06Å; I308-S312 PolarHBondContact O-N 3.42Å |
| 309 | D | 95.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 99.8 Ų | 99.8 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 178.1 | -71.3 | -22.3 | 0 | 0 | 0 | 110.6 | S305 L306 S312 M313 | S305-D309 VanDerWaalsContact O-CG 3.3Å; S305-D309 PolarHBondContact O-N 3.49Å; L306-D309 PolarHBondContact O-N 3.24Å; D309-S312 WeakPolarHBondContact O-CB 3.47Å; D309-S312 PolarHBondContact O-N 3.22Å; D309-S312 PolarHBondContact O-OG 3.4Å; D309-M313 WeakPolarHBondContact O-CG 3.5Å; D309-M313 PolarHBondContact O-N 3.01Å |
| 310 | L | 94.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 178.6 | -161.7 | 170.7 | 0 | 0 | 0 | 111.1 | L306 E307 I308 S312 M313 R314 | L306-L310 WeakPolarHBondContact O-CB 3.18Å; L306-L310 PolarHBondContact O-N 2.94Å; E307-L310 PolarHBondContact O-N 3.04Å; I308-L310 VanDerWaalsContact C-N 3.3Å; I308-L310 PolarHBondContact O-N 3.31Å; L310-S312 VanDerWaalsContact C-N 3.33Å; L310-S312 PolarHBondContact O-N 3.39Å; L310-M313 PolarHBondContact O-N 2.95Å; L310-R314 HydrophobicContact CD2-CG 3.98Å; L310-R314 VanDerWaalsContact CD2-NH2 3.28Å; L310-R314 WeakPolarHBondContact O-CG 3.46Å; L310-R314 PolarHBondContact O-N 3.34Å |
| 311 | D | 96.5 | Very high | 95.7 | Very high | 78 Ų | 78 | 95.7 Ų | 95.7 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.4 | -77.2 | -15.2 | 0 | 0 | 0 | 112.5 | E307 I308 M313 R314 N315 | E307-D311 PolarHBondContact O-N 2.93Å; I308-D311 PolarHBondContact O-N 3.36Å; D311-M313 VanDerWaalsContact C-N 3.34Å; D311-M313 PolarHBondContact O-N 2.95Å; D311-R314 PolarHBondContact O-N 2.88Å; D311-R314 IonicContact OD1-CZ 3.96Å; D311-R314 IonicContact OD1-NH1 3.99Å; D311-R314 PolarHBondContact OD1-NH1 3.25Å; D311-N315 WeakPolarHBondContact O-CB 3.36Å; D311-N315 VanDerWaalsContact O-CG 3.28Å; D311-N315 PolarHBondContact O-N 2.86Å; D311-N315 PolarHBondContact O-ND2 3.12Å; D311-N315 VanDerWaalsContact O-ND2 3.16Å |
| 312 | S | 94.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 92.6 Ų | 92.6 | 42% | 0.42 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 172.9 | 85.5 | 0 | 0 | 0 | 0 | 111.9 | I308 D309 L310 N315 L316 | I308-S312 WeakPolarHBondContact O-CB 3.06Å; I308-S312 PolarHBondContact O-N 3.42Å; D309-S312 WeakPolarHBondContact O-CB 3.47Å; D309-S312 PolarHBondContact O-N 3.22Å; D309-S312 PolarHBondContact O-OG 3.4Å; L310-S312 VanDerWaalsContact C-N 3.33Å; L310-S312 PolarHBondContact O-N 3.39Å; S312-N315 PolarHBondContact O-N 3.39Å; S312-L316 PolarHBondContact O-N 3.03Å |
| 313 | M | 91.1 | Very high | 95.7 | Very high | 118 Ų | 118 | 92 Ų | 92 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.6 | -36.7 | 177.7 | -71.2 | -61.8 | -69.8 | 0 | 0 | 111.9 | D309 L310 D311 L316 K317 | D309-M313 WeakPolarHBondContact O-CG 3.5Å; D309-M313 PolarHBondContact O-N 3.01Å; L310-M313 PolarHBondContact O-N 2.95Å; D311-M313 VanDerWaalsContact C-N 3.34Å; D311-M313 PolarHBondContact O-N 2.95Å; M313-L316 PolarHBondContact O-N 3.47Å; M313-L316 HydrophobicContact SD-CD2 4.33Å; M313-K317 WeakPolarHBondContact O-CB 3.46Å; M313-K317 PolarHBondContact O-N 3.15Å |
| 314 | R | 95.8 | Very high | 95.7 | Very high | 149 Ų | 149 | 93.1 Ų | 93.1 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 171.5 | -75.3 | 173.5 | 175.3 | 144.7 | 0.7 | 111.4 | L310 D311 K317 A318 | L310-R314 HydrophobicContact CD2-CG 3.98Å; L310-R314 VanDerWaalsContact CD2-NH2 3.28Å; L310-R314 WeakPolarHBondContact O-CG 3.46Å; L310-R314 PolarHBondContact O-N 3.34Å; D311-R314 PolarHBondContact O-N 2.88Å; D311-R314 IonicContact OD1-CZ 3.96Å; D311-R314 IonicContact OD1-NH1 3.99Å; D311-R314 PolarHBondContact OD1-NH1 3.25Å; R314-K317 PolarHBondContact O-N 3.31Å; R314-A318 WeakPolarHBondContact O-CB 3.49Å; R314-A318 PolarHBondContact O-N 3.31Å |
| 315 | N | 95.5 | Very high | 95.7 | Very high | 116 Ų | 116 | 93.7 Ų | 93.7 | 62% | 0.62 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 177.5 | -72.2 | -31.8 | 0 | 0 | 0 | 111.9 | D311 S312 A318 S319 | D311-N315 WeakPolarHBondContact O-CB 3.36Å; D311-N315 VanDerWaalsContact O-CG 3.28Å; D311-N315 PolarHBondContact O-N 2.86Å; D311-N315 PolarHBondContact O-ND2 3.12Å; D311-N315 VanDerWaalsContact O-ND2 3.16Å; S312-N315 PolarHBondContact O-N 3.39Å; N315-A318 PolarHBondContact O-N 3.21Å; N315-S319 PolarHBondContact O-N 3.42Å; N315-S319 PolarHBondContact O-OG 3.19Å |
| 316 | L | 96.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 95.4 Ų | 95.4 | 45% | 0.45 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174.4 | -179.1 | 63.5 | 0 | 0 | 0 | 111.6 | S312 M313 A318 S319 L320 | S312-L316 PolarHBondContact O-N 3.03Å; M313-L316 PolarHBondContact O-N 3.47Å; M313-L316 HydrophobicContact SD-CD2 4.33Å; L316-A318 PolarHBondContact O-N 3.18Å; L316-S319 PolarHBondContact O-N 2.67Å; L316-S319 PolarHBondContact O-OG 3.49Å; L316-L320 HydrophobicContact CD1-CD1 4.37Å; L316-L320 HydrophobicContact CD1-CG 4.37Å; L316-L320 HydrophobicContact CG-CD1 4.17Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 WeakPolarHBondContact O-CG 3.44Å; L316-L320 PolarHBondContact O-N 3.5Å |
| 317 | K | 96.3 | Very high | 95.9 | Very high | 131 Ų | 131 | 92.5 Ų | 92.5 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.4 | -48.5 | 175 | -177.9 | -170.8 | 171.6 | -165.5 | 0 | 111 | M313 R314 S319 L320 E321 | M313-K317 WeakPolarHBondContact O-CB 3.46Å; M313-K317 PolarHBondContact O-N 3.15Å; R314-K317 PolarHBondContact O-N 3.31Å; K317-S319 VanDerWaalsContact C-N 3.33Å; K317-S319 PolarHBondContact O-N 3.46Å; K317-L320 PolarHBondContact O-N 3.23Å; K317-E321 WeakPolarHBondContact CE-OE1 3.33Å; K317-E321 IonicContact NZ-OE1 2.88Å; K317-E321 WeakPolarHBondContact O-CG 3.47Å; K317-E321 PolarHBondContact O-N 3.28Å |
| 318 | A | 96.2 | Very high | 96 | Very high | 42 Ų | 42 | 92.3 Ų | 92.3 | 35% | 0.347 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R314 N315 L316 N322 | R314-A318 WeakPolarHBondContact O-CB 3.49Å; R314-A318 PolarHBondContact O-N 3.31Å; N315-A318 PolarHBondContact O-N 3.21Å; L316-A318 PolarHBondContact O-N 3.18Å; A318-N322 WeakPolarHBondContact O-CB 3.4Å; A318-N322 PolarHBondContact O-N 3.18Å; A318-N322 PolarHBondContact O-ND2 3.11Å |
| 319 | S | 96.1 | Very high | 96 | Very high | 62 Ų | 62 | 89.7 Ų | 89.7 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 177.7 | 71.3 | 0 | 0 | 0 | 0 | 112.4 | N315 L316 K317 N322 S323 | N315-S319 PolarHBondContact O-N 3.42Å; N315-S319 PolarHBondContact O-OG 3.19Å; L316-S319 PolarHBondContact O-N 2.67Å; L316-S319 PolarHBondContact O-OG 3.49Å; K317-S319 VanDerWaalsContact C-N 3.33Å; K317-S319 PolarHBondContact O-N 3.46Å; S319-N322 PolarHBondContact O-N 3.13Å; S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 3Å |
| 320 | L | 95.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.1 | -43.8 | 174.7 | -71.4 | 175.1 | 0 | 0 | 0 | 112 | L316 K317 N322 S323 L324 | L316-L320 HydrophobicContact CD1-CD1 4.37Å; L316-L320 HydrophobicContact CD1-CG 4.37Å; L316-L320 HydrophobicContact CG-CD1 4.17Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 WeakPolarHBondContact O-CG 3.44Å; L316-L320 PolarHBondContact O-N 3.5Å; K317-L320 PolarHBondContact O-N 3.23Å; L320-N322 VanDerWaalsContact C-N 3.32Å; L320-N322 PolarHBondContact O-N 3.43Å; L320-S323 PolarHBondContact O-N 3.43Å; L320-L324 WeakPolarHBondContact O-CB 3.47Å; L320-L324 PolarHBondContact O-N 2.89Å |
| 321 | E | 96.8 | Very high | 96.2 | Very high | 70 Ų | 70 | 95.3 Ų | 95.3 | 33% | 0.327 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.6 | -74.6 | -175.6 | -176.5 | 0 | 0 | 112.1 | K317 L324 R325 | K317-E321 WeakPolarHBondContact CE-OE1 3.33Å; K317-E321 IonicContact NZ-OE1 2.88Å; K317-E321 WeakPolarHBondContact O-CG 3.47Å; K317-E321 PolarHBondContact O-N 3.28Å; E321-L324 PolarHBondContact O-N 3.2Å; E321-R325 WeakPolarHBondContact O-CG 3.42Å; E321-R325 PolarHBondContact O-N 3.43Å; E321-R325 IonicContact OE2-CZ 3.88Å; E321-R325 IonicContact OE2-NH1 2.7Å; E321-R325 IonicContact OE2-NH2 3Å; E321-R325 PolarHBondContact OE2-NH2 3.27Å |
| 322 | N | 97.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 94.5 Ų | 94.5 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 176.7 | -73.8 | -18 | 0 | 0 | 0 | 112 | A318 S319 L320 L324 R325 E326 | A318-N322 WeakPolarHBondContact O-CB 3.4Å; A318-N322 PolarHBondContact O-N 3.18Å; A318-N322 PolarHBondContact O-ND2 3.11Å; S319-N322 PolarHBondContact O-N 3.13Å; L320-N322 VanDerWaalsContact C-N 3.32Å; L320-N322 PolarHBondContact O-N 3.43Å; N322-L324 VanDerWaalsContact C-N 3.33Å; N322-L324 PolarHBondContact O-N 3.32Å; N322-R325 PolarHBondContact O-N 3.19Å; N322-R325 PolarHBondContact OD1-NH1 3.42Å; N322-E326 WeakPolarHBondContact O-CB 3.34Å; N322-E326 PolarHBondContact O-N 2.89Å |
| 323 | S | 96.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 96.1 Ų | 96.1 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | S319 L320 E326 V327 | S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 3Å; L320-S323 PolarHBondContact O-N 3.43Å; S323-E326 PolarHBondContact O-N 2.86Å; S323-V327 WeakPolarHBondContact O-CB 3.45Å; S323-V327 VanDerWaalsContact O-CG2 3.26Å; S323-V327 WeakPolarHBondContact O-CG2 3.1Å; S323-V327 PolarHBondContact O-N 3.47Å |
| 324 | L | 96.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 175 | -179.6 | 64.5 | 0 | 0 | 0 | 111.2 | L320 E321 N322 E326 V327 E328 | L320-L324 WeakPolarHBondContact O-CB 3.47Å; L320-L324 PolarHBondContact O-N 2.89Å; E321-L324 PolarHBondContact O-N 3.2Å; N322-L324 VanDerWaalsContact C-N 3.33Å; N322-L324 PolarHBondContact O-N 3.32Å; L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 2.7Å; L324-V327 PolarHBondContact O-N 2.91Å; L324-E328 HydrophobicContact CD1-CG 4.31Å; L324-E328 HydrophobicContact CG-CG 4.44Å; L324-E328 WeakPolarHBondContact O-CB 3.35Å; L324-E328 WeakPolarHBondContact O-CG 3.46Å; L324-E328 PolarHBondContact O-N 2.91Å |
| 325 | R | 97.4 | Very high | 96.8 | Very high | 127 Ų | 127 | 93.7 Ų | 93.7 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 177.1 | -71.2 | -179.2 | -162.9 | 103.4 | 9.2 | 112.3 | E321 N322 A329 | E321-R325 WeakPolarHBondContact O-CG 3.42Å; E321-R325 PolarHBondContact O-N 3.43Å; E321-R325 IonicContact OE2-CZ 3.88Å; E321-R325 IonicContact OE2-NH1 2.7Å; E321-R325 IonicContact OE2-NH2 3Å; E321-R325 PolarHBondContact OE2-NH2 3.27Å; N322-R325 PolarHBondContact O-N 3.19Å; N322-R325 PolarHBondContact OD1-NH1 3.42Å; R325-A329 VanDerWaalsContact O-CB 3.28Å; R325-A329 WeakPolarHBondContact O-CB 3.29Å; R325-A329 PolarHBondContact O-N 2.86Å |
| 326 | E | 97.7 | Very high | 96.9 | Very high | 96 Ų | 96 | 94.8 Ų | 94.8 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 177.5 | -174.6 | -177.8 | 171.2 | 0 | 0 | 111.6 | N322 S323 L324 A329 R330 | N322-E326 WeakPolarHBondContact O-CB 3.34Å; N322-E326 PolarHBondContact O-N 2.89Å; S323-E326 PolarHBondContact O-N 2.86Å; L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 2.7Å; E326-A329 PolarHBondContact O-N 3.09Å; E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 WeakPolarHBondContact O-CG 3.4Å; E326-R330 PolarHBondContact O-N 3.46Å; E326-R330 IonicContact OE1-CZ 2.69Å; E326-R330 IonicContact OE1-NE 4Å; E326-R330 IonicContact OE1-NH1 2.82Å; E326-R330 PolarHBondContact OE1-NH1 3.43Å; E326-R330 IonicContact OE1-NH2 3.66Å; E326-R330 PolarHBondContact OE1-NH2 3.29Å |
| 327 | V | 96.8 | Very high | 97 | Very high | 54 Ų | 54 | 96 Ų | 96 | 33% | 0.327 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | S323 L324 A329 R330 Y331 | S323-V327 WeakPolarHBondContact O-CB 3.45Å; S323-V327 VanDerWaalsContact O-CG2 3.26Å; S323-V327 WeakPolarHBondContact O-CG2 3.1Å; S323-V327 PolarHBondContact O-N 3.47Å; L324-V327 PolarHBondContact O-N 2.91Å; V327-A329 PolarHBondContact O-N 3.05Å; V327-R330 PolarHBondContact O-N 3.2Å; V327-Y331 HydrophobicContact CG1-CD2 3.54Å; V327-Y331 HydrophobicContact CG1-CE2 3.31Å; V327-Y331 WeakPolarHBondContact O-CD2 3.46Å; V327-Y331 PolarHBondContact O-N 3.34Å |
| 328 | E | 97.2 | Very high | 97.1 | Very high | 108 Ų | 108 | 94.7 Ų | 94.7 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.7 | -73.2 | 173.6 | 166.8 | 0 | 0 | 111.6 | L324 R330 Y331 A332 | L324-E328 HydrophobicContact CD1-CG 4.31Å; L324-E328 HydrophobicContact CG-CG 4.44Å; L324-E328 WeakPolarHBondContact O-CB 3.35Å; L324-E328 WeakPolarHBondContact O-CG 3.46Å; L324-E328 PolarHBondContact O-N 2.91Å; E328-R330 PolarHBondContact O-N 3.04Å; E328-Y331 PolarHBondContact O-N 3.18Å; E328-A332 WeakPolarHBondContact O-CB 3.27Å; E328-A332 PolarHBondContact O-N 3.29Å |
| 329 | A | 97.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R325 E326 V327 A332 L333 | R325-A329 VanDerWaalsContact O-CB 3.28Å; R325-A329 WeakPolarHBondContact O-CB 3.29Å; R325-A329 PolarHBondContact O-N 2.86Å; E326-A329 PolarHBondContact O-N 3.09Å; V327-A329 PolarHBondContact O-N 3.05Å; A329-A332 PolarHBondContact O-N 2.64Å; A329-L333 PolarHBondContact O-N 3.22Å |
| 330 | R | 97.9 | Very high | 97.2 | Very high | 145 Ų | 145 | 95.9 Ų | 95.9 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.2 | -79.3 | 178.2 | 175.1 | 146.2 | 5.5 | 111.9 | E326 V327 E328 L333 Q334 | E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 WeakPolarHBondContact O-CG 3.4Å; E326-R330 PolarHBondContact O-N 3.46Å; E326-R330 IonicContact OE1-CZ 2.69Å; E326-R330 IonicContact OE1-NE 4Å; E326-R330 IonicContact OE1-NH1 2.82Å; E326-R330 PolarHBondContact OE1-NH1 3.43Å; E326-R330 IonicContact OE1-NH2 3.66Å; E326-R330 PolarHBondContact OE1-NH2 3.29Å; V327-R330 PolarHBondContact O-N 3.2Å; E328-R330 PolarHBondContact O-N 3.04Å; R330-L333 PolarHBondContact O-N 3.05Å; R330-Q334 WeakPolarHBondContact O-CG 3.21Å; R330-Q334 PolarHBondContact O-N 2.92Å |
| 331 | Y | 96.8 | Very high | 97.4 | Very high | 138 Ų | 138 | 95.4 Ų | 95.4 | 54% | 0.541 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 177.8 | -78.1 | -59.6 | 0 | 0 | 0 | 112 | V327 E328 L333 Q334 M335 | V327-Y331 HydrophobicContact CG1-CD2 3.54Å; V327-Y331 HydrophobicContact CG1-CE2 3.31Å; V327-Y331 WeakPolarHBondContact O-CD2 3.46Å; V327-Y331 PolarHBondContact O-N 3.34Å; E328-Y331 PolarHBondContact O-N 3.18Å; Y331-L333 VanDerWaalsContact C-N 3.34Å; Y331-L333 PolarHBondContact O-N 3.5Å; Y331-Q334 PolarHBondContact O-N 3.48Å; Y331-M335 WeakPolarHBondContact O-CB 3.48Å; Y331-M335 VanDerWaalsContact O-CG 3.26Å; Y331-M335 WeakPolarHBondContact O-CG 3.38Å; Y331-M335 PolarHBondContact O-N 3.45Å |
| 332 | A | 97.8 | Very high | 97.4 | Very high | 60 Ų | 60 | 96.1 Ų | 96.1 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E328 A329 M335 E336 | E328-A332 WeakPolarHBondContact O-CB 3.27Å; E328-A332 PolarHBondContact O-N 3.29Å; A329-A332 PolarHBondContact O-N 2.64Å; A332-M335 PolarHBondContact O-N 3.3Å; A332-E336 PolarHBondContact O-N 2.96Å |
| 333 | L | 97.6 | Very high | 97.4 | Very high | 94 Ų | 94 | 96.2 Ų | 96.2 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.2 | -175.5 | 70.3 | 0 | 0 | 0 | 112.2 | A329 R330 Y331 M335 E336 Q337 | A329-L333 PolarHBondContact O-N 3.22Å; R330-L333 PolarHBondContact O-N 3.05Å; Y331-L333 VanDerWaalsContact C-N 3.34Å; Y331-L333 PolarHBondContact O-N 3.5Å; L333-M335 VanDerWaalsContact C-N 3.32Å; L333-M335 PolarHBondContact O-N 3.34Å; L333-E336 PolarHBondContact O-N 2.87Å; L333-Q337 VanDerWaalsContact O-CG 3.29Å; L333-Q337 WeakPolarHBondContact O-CG 3.49Å; L333-Q337 PolarHBondContact O-N 2.84Å |
| 334 | Q | 97.8 | Very high | 97.5 | Very high | 96 Ų | 96 | 98.5 Ų | 98.5 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 176.3 | -75.2 | 178.5 | -11.4 | 0 | 0 | 111.9 | R330 Y331 Q337 L338 | R330-Q334 WeakPolarHBondContact O-CG 3.21Å; R330-Q334 PolarHBondContact O-N 2.92Å; Y331-Q334 PolarHBondContact O-N 3.48Å; Q334-Q337 PolarHBondContact O-N 3.24Å; Q334-L338 WeakPolarHBondContact O-CB 3.49Å; Q334-L338 WeakPolarHBondContact O-CG 3.43Å; Q334-L338 PolarHBondContact O-N 2.95Å |
| 335 | M | 97.3 | Very high | 97.6 | Very high | 121 Ų | 121 | 98.3 Ų | 98.3 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | 175.9 | -71.5 | -63.3 | 164.8 | 0 | 0 | 111.5 | Y331 A332 L333 Q337 L338 N339 | Y331-M335 WeakPolarHBondContact O-CB 3.48Å; Y331-M335 VanDerWaalsContact O-CG 3.26Å; Y331-M335 WeakPolarHBondContact O-CG 3.38Å; Y331-M335 PolarHBondContact O-N 3.45Å; A332-M335 PolarHBondContact O-N 3.3Å; L333-M335 VanDerWaalsContact C-N 3.32Å; L333-M335 PolarHBondContact O-N 3.34Å; M335-Q337 PolarHBondContact O-N 2.92Å; M335-L338 PolarHBondContact O-N 3.38Å; M335-N339 VanDerWaalsContact O-CB 3.24Å; M335-N339 WeakPolarHBondContact O-CB 3.46Å; M335-N339 PolarHBondContact O-N 3.43Å |
| 336 | E | 97.9 | Very high | 97.6 | Very high | 139 Ų | 139 | 97.5 Ų | 97.5 | 65% | 0.65 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 174.5 | -174 | 176.9 | -172.8 | 0 | 0 | 111.6 | A332 L333 N339 G340 | A332-E336 PolarHBondContact O-N 2.96Å; L333-E336 PolarHBondContact O-N 2.87Å; E336-N339 PolarHBondContact O-N 3.38Å; E336-G340 PolarHBondContact O-N 2.96Å |
| 337 | Q | 98.1 | Very high | 97.6 | Very high | 111 Ų | 111 | 96.2 Ų | 96.2 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 175.5 | -73.3 | 174 | -3.1 | 0 | 0 | 112.2 | L333 Q334 M335 N339 G340 I341 | L333-Q337 VanDerWaalsContact O-CG 3.29Å; L333-Q337 WeakPolarHBondContact O-CG 3.49Å; L333-Q337 PolarHBondContact O-N 2.84Å; Q334-Q337 PolarHBondContact O-N 3.24Å; M335-Q337 PolarHBondContact O-N 2.92Å; Q337-N339 VanDerWaalsContact C-N 3.35Å; Q337-G340 PolarHBondContact O-N 2.92Å; Q337-I341 WeakPolarHBondContact O-CG1 3.47Å; Q337-I341 PolarHBondContact O-N 2.62Å |
| 338 | L | 97.4 | Very high | 97.6 | Very high | 103 Ų | 103 | 98 Ų | 98 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.6 | -72.8 | 174.4 | 0 | 0 | 0 | 111.6 | Q334 M335 G340 I341 L342 | Q334-L338 WeakPolarHBondContact O-CB 3.49Å; Q334-L338 WeakPolarHBondContact O-CG 3.43Å; Q334-L338 PolarHBondContact O-N 2.95Å; M335-L338 PolarHBondContact O-N 3.38Å; L338-G340 VanDerWaalsContact C-N 3.31Å; L338-G340 PolarHBondContact O-N 3.25Å; L338-I341 PolarHBondContact O-N 3.1Å; L338-L342 WeakPolarHBondContact O-CB 3.41Å; L338-L342 PolarHBondContact O-N 3.03Å |
| 339 | N | 97.1 | Very high | 97.6 | Very high | 91 Ų | 91 | 96.6 Ų | 96.6 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.2 | -170 | 64 | 0 | 0 | 0 | 111.3 | M335 E336 Q337 L342 L343 | M335-N339 VanDerWaalsContact O-CB 3.24Å; M335-N339 WeakPolarHBondContact O-CB 3.46Å; M335-N339 PolarHBondContact O-N 3.43Å; E336-N339 PolarHBondContact O-N 3.38Å; Q337-N339 VanDerWaalsContact C-N 3.35Å; N339-L342 PolarHBondContact O-N 2.92Å; N339-L343 WeakPolarHBondContact O-CB 3.36Å; N339-L343 WeakPolarHBondContact O-CG 3.42Å; N339-L343 PolarHBondContact O-N 3.36Å |
| 340 | G | 98.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 96.3 Ų | 96.3 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | E336 Q337 L338 L343 H344 | E336-G340 PolarHBondContact O-N 2.96Å; Q337-G340 PolarHBondContact O-N 2.92Å; L338-G340 VanDerWaalsContact C-N 3.31Å; L338-G340 PolarHBondContact O-N 3.25Å; G340-L343 PolarHBondContact O-N 2.94Å; G340-H344 WeakPolarHBondContact O-CB 3.37Å; G340-H344 PolarHBondContact O-N 3.49Å |
| 341 | I | 98.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 95.9 Ų | 95.9 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.2 | -65.7 | 166.1 | 0 | 0 | 0 | 110.8 | Q337 L338 H344 L345 | Q337-I341 WeakPolarHBondContact O-CG1 3.47Å; Q337-I341 PolarHBondContact O-N 2.62Å; L338-I341 PolarHBondContact O-N 3.1Å; I341-H344 PolarHBondContact O-N 3.12Å; I341-L345 HydrophobicContact CG2-CD1 3.97Å; I341-L345 HydrophobicContact CG2-CG 4.36Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.01Å |
| 342 | L | 97.5 | Very high | 97.6 | Very high | 85 Ų | 85 | 93.9 Ų | 93.9 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 178.4 | -165.7 | 164.8 | 0 | 0 | 0 | 110.3 | L338 N339 H344 L345 E346 | L338-L342 WeakPolarHBondContact O-CB 3.41Å; L338-L342 PolarHBondContact O-N 3.03Å; N339-L342 PolarHBondContact O-N 2.92Å; L342-H344 VanDerWaalsContact C-N 3.29Å; L342-H344 PolarHBondContact O-N 3Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-E346 HydrophobicContact CD2-CG 3.76Å; L342-E346 WeakPolarHBondContact CD2-OE1 3.28Å; L342-E346 WeakPolarHBondContact O-CB 3.18Å; L342-E346 WeakPolarHBondContact O-CG 3.42Å; L342-E346 PolarHBondContact O-N 3.43Å |
| 343 | L | 98.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 98.9 Ų | 98.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 176.9 | -72.2 | 173.3 | 0 | 0 | 0 | 112.3 | N339 G340 S347 | N339-L343 WeakPolarHBondContact O-CB 3.36Å; N339-L343 WeakPolarHBondContact O-CG 3.42Å; N339-L343 PolarHBondContact O-N 3.36Å; G340-L343 PolarHBondContact O-N 2.94Å; L343-S347 WeakPolarHBondContact O-CB 3.4Å; L343-S347 PolarHBondContact O-N 3.49Å |
| 344 | H | 97.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 96.9 Ų | 96.9 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 175.9 | 179.9 | 50.6 | 0 | 0 | 0 | 111.9 | G340 I341 L342 E346 S347 E348 | G340-H344 WeakPolarHBondContact O-CB 3.37Å; G340-H344 PolarHBondContact O-N 3.49Å; I341-H344 PolarHBondContact O-N 3.12Å; L342-H344 VanDerWaalsContact C-N 3.29Å; L342-H344 PolarHBondContact O-N 3Å; H344-E346 VanDerWaalsContact C-N 3.35Å; H344-E346 PolarHBondContact O-N 3.23Å; H344-S347 WeakPolarHBondContact O-CB 3.3Å; H344-S347 PolarHBondContact O-N 2.84Å; H344-E348 IonicContact CE1-OE1 3.88Å; H344-E348 IonicContact NE2-OE1 3.7Å; H344-E348 PolarHBondContact NE2-OE1 3.42Å; H344-E348 PolarHBondContact O-N 3.38Å |
| 345 | L | 97.6 | Very high | 97.6 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 177.3 | -71.3 | 173.6 | 0 | 0 | 0 | 112.4 | I341 L342 S347 E348 L349 | I341-L345 HydrophobicContact CG2-CD1 3.97Å; I341-L345 HydrophobicContact CG2-CG 4.36Å; I341-L345 WeakPolarHBondContact O-CG 3.47Å; I341-L345 PolarHBondContact O-N 3.01Å; L342-L345 PolarHBondContact O-N 3.34Å; L345-S347 VanDerWaalsContact C-N 3.32Å; L345-E348 PolarHBondContact O-N 2.93Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 PolarHBondContact O-N 2.89Å |
| 346 | E | 97.3 | Very high | 97.6 | Very high | 109 Ų | 109 | 91.6 Ų | 91.6 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 173.2 | -78.9 | -177.4 | 160.6 | 0 | 0 | 111.6 | L342 H344 L349 A350 | L342-E346 HydrophobicContact CD2-CG 3.76Å; L342-E346 WeakPolarHBondContact CD2-OE1 3.28Å; L342-E346 WeakPolarHBondContact O-CB 3.18Å; L342-E346 WeakPolarHBondContact O-CG 3.42Å; L342-E346 PolarHBondContact O-N 3.43Å; H344-E346 VanDerWaalsContact C-N 3.35Å; H344-E346 PolarHBondContact O-N 3.23Å; E346-L349 PolarHBondContact O-N 3.19Å; E346-A350 WeakPolarHBondContact O-CB 3.31Å; E346-A350 PolarHBondContact O-N 2.88Å |
| 347 | S | 97.5 | Very high | 97.6 | Very high | 70 Ų | 70 | 91.1 Ų | 91.1 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | L343 H344 L345 L349 A350 Q351 | L343-S347 WeakPolarHBondContact O-CB 3.4Å; L343-S347 PolarHBondContact O-N 3.49Å; H344-S347 WeakPolarHBondContact O-CB 3.3Å; H344-S347 PolarHBondContact O-N 2.84Å; L345-S347 VanDerWaalsContact C-N 3.32Å; S347-L349 VanDerWaalsContact C-N 3.31Å; S347-L349 PolarHBondContact O-N 3.05Å; S347-A350 PolarHBondContact O-N 3.3Å; S347-Q351 WeakPolarHBondContact O-CB 3.49Å; S347-Q351 PolarHBondContact O-N 2.86Å |
| 348 | E | 97.9 | Very high | 97.5 | Very high | 90 Ų | 90 | 91.4 Ų | 91.4 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.5 | -71.3 | -170.3 | 152.7 | 0 | 0 | 111.7 | H344 L345 Q351 T352 | H344-E348 IonicContact CE1-OE1 3.88Å; H344-E348 IonicContact NE2-OE1 3.7Å; H344-E348 PolarHBondContact NE2-OE1 3.42Å; H344-E348 PolarHBondContact O-N 3.38Å; L345-E348 PolarHBondContact O-N 2.93Å; E348-Q351 PolarHBondContact O-N 3.34Å; E348-T352 WeakPolarHBondContact O-CG2 3.42Å; E348-T352 PolarHBondContact O-N 2.86Å; E348-T352 PolarHBondContact O-OG1 2.94Å |
| 349 | L | 97.5 | Very high | 97.5 | Very high | 80 Ų | 80 | 90.4 Ų | 90.4 | 42% | 0.419 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 177.6 | -179.7 | 154.2 | 0 | 0 | 0 | 111.7 | L345 E346 S347 T352 R353 | L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 PolarHBondContact O-N 2.89Å; E346-L349 PolarHBondContact O-N 3.19Å; S347-L349 VanDerWaalsContact C-N 3.31Å; S347-L349 PolarHBondContact O-N 3.05Å; L349-T352 WeakPolarHBondContact CA-OG1 3.49Å; L349-T352 PolarHBondContact O-OG1 3.42Å; L349-R353 WeakPolarHBondContact O-CB 3.3Å; L349-R353 VanDerWaalsContact O-CG 3.29Å; L349-R353 WeakPolarHBondContact O-CG 3.36Å; L349-R353 PolarHBondContact O-N 3.31Å; L349-R353 VanDerWaalsContact O-N 3.09Å |
| 350 | A | 97.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E346 S347 R353 A354 | E346-A350 WeakPolarHBondContact O-CB 3.31Å; E346-A350 PolarHBondContact O-N 2.88Å; S347-A350 PolarHBondContact O-N 3.3Å; A350-R353 PolarHBondContact O-N 2.93Å; A350-A354 PolarHBondContact O-N 3.34Å |
| 351 | Q | 97.8 | Very high | 97.4 | Very high | 136 Ų | 136 | 93.2 Ų | 93.2 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.9 | -46.3 | 178.2 | -174.2 | 178.6 | -0.2 | 0 | 0 | 112.2 | S347 E348 R353 A354 E355 | S347-Q351 WeakPolarHBondContact O-CB 3.49Å; S347-Q351 PolarHBondContact O-N 2.86Å; E348-Q351 PolarHBondContact O-N 3.34Å; Q351-R353 VanDerWaalsContact C-N 3.32Å; Q351-R353 PolarHBondContact O-N 2.92Å; Q351-A354 PolarHBondContact O-N 3.36Å; Q351-E355 WeakPolarHBondContact O-CB 3.5Å; Q351-E355 PolarHBondContact O-N 3.11Å |
| 352 | T | 97.1 | Very high | 97.4 | Very high | 96 Ų | 96 | 93.3 Ų | 93.3 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | E348 L349 G356 | E348-T352 WeakPolarHBondContact O-CG2 3.42Å; E348-T352 PolarHBondContact O-N 2.86Å; E348-T352 PolarHBondContact O-OG1 2.94Å; L349-T352 WeakPolarHBondContact CA-OG1 3.49Å; L349-T352 PolarHBondContact O-OG1 3.42Å; T352-G356 PolarHBondContact O-N 3.32Å |
| 353 | R | 97.6 | Very high | 97.3 | Very high | 164 Ų | 164 | 97.1 Ų | 97.1 | 62% | 0.619 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 171.5 | -77.4 | 177.9 | 178.7 | 160.3 | 1.6 | 112.2 | L349 A350 Q351 E355 G356 Q357 | L349-R353 WeakPolarHBondContact O-CB 3.3Å; L349-R353 VanDerWaalsContact O-CG 3.29Å; L349-R353 WeakPolarHBondContact O-CG 3.36Å; L349-R353 PolarHBondContact O-N 3.31Å; L349-R353 VanDerWaalsContact O-N 3.09Å; A350-R353 PolarHBondContact O-N 2.93Å; Q351-R353 VanDerWaalsContact C-N 3.32Å; Q351-R353 PolarHBondContact O-N 2.92Å; R353-E355 VanDerWaalsContact C-N 3.33Å; R353-G356 PolarHBondContact O-N 3.43Å; R353-Q357 WeakPolarHBondContact O-CG 3.29Å; R353-Q357 PolarHBondContact O-N 3.43Å |
| 354 | A | 97.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A350 Q351 Q357 R358 | A350-A354 PolarHBondContact O-N 3.34Å; Q351-A354 PolarHBondContact O-N 3.36Å; A354-Q357 PolarHBondContact O-N 2.91Å; A354-R358 PolarHBondContact O-N 2.86Å |
| 355 | E | 97.8 | Very high | 97.2 | Very high | 68 Ų | 68 | 95.5 Ų | 95.5 | 32% | 0.318 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.5 | -178.8 | 58.1 | -160.7 | 0 | 0 | 111.9 | Q351 R353 Q357 R358 Q359 | Q351-E355 WeakPolarHBondContact O-CB 3.5Å; Q351-E355 PolarHBondContact O-N 3.11Å; R353-E355 VanDerWaalsContact C-N 3.33Å; E355-Q357 VanDerWaalsContact C-N 3.34Å; E355-Q357 PolarHBondContact O-N 3.48Å; E355-R358 VanDerWaalsContact CD-NH2 3.26Å; E355-R358 WeakPolarHBondContact O-CB 3.36Å; E355-R358 PolarHBondContact O-N 3.45Å; E355-R358 IonicContact OE1-CZ 2.79Å; E355-R358 IonicContact OE1-NE 3.8Å; E355-R358 IonicContact OE1-NH2 3.21Å; E355-R358 PolarHBondContact OE1-NH2 3.4Å; E355-R358 IonicContact OE2-CZ 3.83Å; E355-R358 IonicContact OE2-NE 2.68Å; E355-R358 PolarHBondContact OE2-NE 2.96Å; E355-R358 IonicContact OE2-NH2 3.5Å; E355-R358 PolarHBondContact OE2-NH2 3.31Å; E355-Q359 WeakPolarHBondContact O-CG 3.24Å; E355-Q359 PolarHBondContact O-N 2.8Å; E355-Q359 PolarHBondContact OE1-NE2 3.48Å |
| 356 | G | 97.2 | Very high | 97.2 | Very high | 37 Ų | 37 | 96.3 Ų | 96.3 | 38% | 0.381 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | T352 R353 A360 | T352-G356 PolarHBondContact O-N 3.32Å; R353-G356 PolarHBondContact O-N 3.43Å; G356-A360 WeakPolarHBondContact O-CB 3.28Å; G356-A360 PolarHBondContact O-N 3.45Å |
| 357 | Q | 96.9 | Very high | 97.1 | Very high | 130 Ų | 130 | 95.8 Ų | 95.8 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 173.3 | -74.9 | 176.9 | -10.3 | 0 | 0 | 111.8 | R353 A354 E355 A360 Q361 | R353-Q357 WeakPolarHBondContact O-CG 3.29Å; R353-Q357 PolarHBondContact O-N 3.43Å; A354-Q357 PolarHBondContact O-N 2.91Å; E355-Q357 VanDerWaalsContact C-N 3.34Å; E355-Q357 PolarHBondContact O-N 3.48Å; Q357-A360 PolarHBondContact O-N 3.24Å; Q357-Q361 WeakPolarHBondContact O-CG 3.36Å; Q357-Q361 PolarHBondContact O-N 2.89Å |
| 358 | R | 97.2 | Very high | 97.1 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 175.9 | -172.8 | 179.1 | 72.6 | 100.3 | -7.2 | 111.4 | A354 E355 A360 Q361 E362 | A354-R358 PolarHBondContact O-N 2.86Å; E355-R358 VanDerWaalsContact CD-NH2 3.26Å; E355-R358 WeakPolarHBondContact O-CB 3.36Å; E355-R358 PolarHBondContact O-N 3.45Å; E355-R358 IonicContact OE1-CZ 2.79Å; E355-R358 IonicContact OE1-NE 3.8Å; E355-R358 IonicContact OE1-NH2 3.21Å; E355-R358 PolarHBondContact OE1-NH2 3.4Å; E355-R358 IonicContact OE2-CZ 3.83Å; E355-R358 IonicContact OE2-NE 2.68Å; E355-R358 PolarHBondContact OE2-NE 2.96Å; E355-R358 IonicContact OE2-NH2 3.5Å; E355-R358 PolarHBondContact OE2-NH2 3.31Å; R358-A360 VanDerWaalsContact C-N 3.33Å; R358-A360 PolarHBondContact O-N 3.35Å; R358-Q361 WeakPolarHBondContact O-CB 3.37Å; R358-Q361 PolarHBondContact O-N 3.17Å; R358-E362 IonicContact CZ-OE1 3.66Å; R358-E362 IonicContact NH1-OE1 2.96Å; R358-E362 PolarHBondContact NH1-OE1 3.09Å; R358-E362 WeakPolarHBondContact O-CG 3.32Å; R358-E362 PolarHBondContact O-N 3.41Å |
| 359 | Q | 97.1 | Very high | 97 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 176.6 | -71.6 | 177.6 | 9.3 | 0 | 0 | 111.7 | E355 Q361 E362 Y363 | E355-Q359 WeakPolarHBondContact O-CG 3.24Å; E355-Q359 PolarHBondContact O-N 2.8Å; E355-Q359 PolarHBondContact OE1-NE2 3.48Å; Q359-Q361 VanDerWaalsContact C-N 3.31Å; Q359-Q361 PolarHBondContact O-N 2.9Å; Q359-E362 PolarHBondContact O-N 3.1Å; Q359-Y363 HydrophobicContact CB-CD2 4.42Å; Q359-Y363 HydrophobicContact CB-CE2 4.34Å; Q359-Y363 WeakPolarHBondContact O-CD2 3.35Å; Q359-Y363 PolarHBondContact O-N 3.18Å |
| 360 | A | 96.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 97.8 Ų | 97.8 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G356 Q357 R358 Y363 E364 | G356-A360 WeakPolarHBondContact O-CB 3.28Å; G356-A360 PolarHBondContact O-N 3.45Å; Q357-A360 PolarHBondContact O-N 3.24Å; R358-A360 VanDerWaalsContact C-N 3.33Å; R358-A360 PolarHBondContact O-N 3.35Å; A360-Y363 PolarHBondContact O-N 3.44Å; A360-E364 WeakPolarHBondContact O-CB 3.36Å; A360-E364 PolarHBondContact O-N 3.22Å |
| 361 | Q | 96.9 | Very high | 96.9 | Very high | 130 Ų | 130 | 99.1 Ų | 99.1 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -42 | 175.3 | -69.4 | 173.2 | 1.3 | 0 | 0 | 112 | Q357 R358 Q359 E364 A365 | Q357-Q361 WeakPolarHBondContact O-CG 3.36Å; Q357-Q361 PolarHBondContact O-N 2.89Å; R358-Q361 WeakPolarHBondContact O-CB 3.37Å; R358-Q361 PolarHBondContact O-N 3.17Å; Q359-Q361 VanDerWaalsContact C-N 3.31Å; Q359-Q361 PolarHBondContact O-N 2.9Å; Q361-E364 PolarHBondContact O-N 3.24Å; Q361-A365 WeakPolarHBondContact O-CB 3.25Å; Q361-A365 PolarHBondContact O-N 3.13Å |
| 362 | E | 96.8 | Very high | 96.8 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.8 | -71.3 | 174.5 | -169.1 | 0 | 0 | 111.6 | R358 Q359 A365 L366 | R358-E362 IonicContact CZ-OE1 3.66Å; R358-E362 IonicContact NH1-OE1 2.96Å; R358-E362 PolarHBondContact NH1-OE1 3.09Å; R358-E362 WeakPolarHBondContact O-CG 3.32Å; R358-E362 PolarHBondContact O-N 3.41Å; Q359-E362 PolarHBondContact O-N 3.1Å; E362-A365 PolarHBondContact O-N 3.16Å; E362-L366 WeakPolarHBondContact O-CB 3.38Å; E362-L366 PolarHBondContact O-N 3.08Å |
| 363 | Y | 97.3 | Very high | 96.7 | Very high | 165 Ų | 165 | 98.9 Ų | 98.9 | 65% | 0.647 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 174.8 | -81.1 | -64.5 | 0 | 0 | 0 | 112.5 | Q359 A360 L366 L367 | Q359-Y363 HydrophobicContact CB-CD2 4.42Å; Q359-Y363 HydrophobicContact CB-CE2 4.34Å; Q359-Y363 WeakPolarHBondContact O-CD2 3.35Å; Q359-Y363 PolarHBondContact O-N 3.18Å; A360-Y363 PolarHBondContact O-N 3.44Å; Y363-L366 PolarHBondContact O-N 2.79Å; Y363-L367 WeakPolarHBondContact O-CB 3.43Å; Y363-L367 PolarHBondContact O-N 3.43Å |
| 364 | E | 96.5 | Very high | 96.5 | Very high | 122 Ų | 122 | 95.6 Ų | 95.6 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 175.5 | -173.5 | -179.7 | 175.9 | 0 | 0 | 111.2 | A360 Q361 L366 L367 N368 | A360-E364 WeakPolarHBondContact O-CB 3.36Å; A360-E364 PolarHBondContact O-N 3.22Å; Q361-E364 PolarHBondContact O-N 3.24Å; E364-L366 PolarHBondContact O-N 2.9Å; E364-L367 PolarHBondContact O-N 2.92Å; E364-N368 WeakPolarHBondContact O-CB 3.27Å; E364-N368 VanDerWaalsContact O-CG 3.26Å; E364-N368 PolarHBondContact O-N 3.17Å; E364-N368 PolarHBondContact O-ND2 3.44Å |
| 365 | A | 96.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 95.7 Ų | 95.7 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q361 E362 N368 I369 | Q361-A365 WeakPolarHBondContact O-CB 3.25Å; Q361-A365 PolarHBondContact O-N 3.13Å; E362-A365 PolarHBondContact O-N 3.16Å; A365-N368 WeakPolarHBondContact O-CB 3.38Å; A365-N368 PolarHBondContact O-N 2.83Å; A365-I369 WeakPolarHBondContact O-CG1 3.36Å; A365-I369 PolarHBondContact O-N 2.81Å |
| 366 | L | 97.1 | Very high | 96.1 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -39.8 | 177.4 | -174.6 | 63.9 | 0 | 0 | 0 | 112 | E362 Y363 E364 N368 I369 K370 | E362-L366 WeakPolarHBondContact O-CB 3.38Å; E362-L366 PolarHBondContact O-N 3.08Å; Y363-L366 PolarHBondContact O-N 2.79Å; E364-L366 PolarHBondContact O-N 2.9Å; L366-N368 VanDerWaalsContact C-N 3.34Å; L366-I369 PolarHBondContact O-N 3.1Å; L366-K370 WeakPolarHBondContact O-CB 3Å; L366-K370 PolarHBondContact O-N 2.94Å |
| 367 | L | 96.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 99 Ų | 99 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 174.3 | -178.8 | 65.2 | 0 | 0 | 0 | 110.8 | Y363 E364 I369 K370 V371 | Y363-L367 WeakPolarHBondContact O-CB 3.43Å; Y363-L367 PolarHBondContact O-N 3.43Å; E364-L367 PolarHBondContact O-N 2.92Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.41Å; L367-K370 WeakPolarHBondContact O-CB 3.43Å; L367-K370 PolarHBondContact O-N 3.34Å; L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 3.44Å |
| 368 | N | 96.1 | Very high | 95.6 | Very high | 83 Ų | 83 | 95.5 Ų | 95.5 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 176.1 | -73.3 | -30.4 | 0 | 0 | 0 | 112 | E364 A365 L366 K372 | E364-N368 WeakPolarHBondContact O-CB 3.27Å; E364-N368 VanDerWaalsContact O-CG 3.26Å; E364-N368 PolarHBondContact O-N 3.17Å; E364-N368 PolarHBondContact O-ND2 3.44Å; A365-N368 WeakPolarHBondContact O-CB 3.38Å; A365-N368 PolarHBondContact O-N 2.83Å; L366-N368 VanDerWaalsContact C-N 3.34Å; N368-K372 WeakPolarHBondContact O-CG 3.41Å; N368-K372 PolarHBondContact O-N 2.9Å; N368-K372 VanDerWaalsContact O-N 3.13Å |
| 369 | I | 96.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 93.4 Ų | 93.4 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 174.3 | -66.1 | 165.8 | 0 | 0 | 0 | 110.8 | A365 L366 L367 V371 K372 L373 | A365-I369 WeakPolarHBondContact O-CG1 3.36Å; A365-I369 PolarHBondContact O-N 2.81Å; L366-I369 PolarHBondContact O-N 3.1Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.41Å; I369-V371 VanDerWaalsContact C-N 3.34Å; I369-V371 PolarHBondContact O-N 3.42Å; I369-K372 WeakPolarHBondContact O-CB 3.48Å; I369-K372 PolarHBondContact O-N 3.43Å; I369-L373 HydrophobicContact CG2-CD1 3.98Å; I369-L373 HydrophobicContact CG2-CG 4.31Å; I369-L373 WeakPolarHBondContact O-CG 3.36Å; I369-L373 PolarHBondContact O-N 2.99Å |
| 370 | K | 96.4 | Very high | 94.9 | Very high | 108 Ų | 108 | 96 Ų | 96 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 177 | -179.1 | -174.4 | -176.3 | -89.8 | 0 | 111.4 | L366 L367 K372 L373 E374 | L366-K370 WeakPolarHBondContact O-CB 3Å; L366-K370 PolarHBondContact O-N 2.94Å; L367-K370 WeakPolarHBondContact O-CB 3.43Å; L367-K370 PolarHBondContact O-N 3.34Å; K370-K372 VanDerWaalsContact C-N 3.31Å; K370-K372 PolarHBondContact O-N 2.96Å; K370-L373 PolarHBondContact O-N 3.25Å; K370-E374 VanDerWaalsContact CE-OE1 3.27Å; K370-E374 WeakPolarHBondContact CE-OE1 3.32Å; K370-E374 HydrophobicContact CG-CG 4.42Å; K370-E374 IonicContact NZ-OE1 3.53Å; K370-E374 PolarHBondContact NZ-OE1 3.39Å; K370-E374 IonicContact NZ-OE2 2.6Å; K370-E374 WeakPolarHBondContact O-CB 3.45Å; K370-E374 WeakPolarHBondContact O-CG 3.31Å; K370-E374 PolarHBondContact O-N 3.24Å |
| 371 | V | 95.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 111 | L367 I369 E374 A375 | L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 3.44Å; I369-V371 VanDerWaalsContact C-N 3.34Å; I369-V371 PolarHBondContact O-N 3.42Å; V371-E374 PolarHBondContact O-N 2.99Å; V371-A375 PolarHBondContact O-N 3.04Å |
| 372 | K | 95.8 | Very high | 93.9 | Very high | 141 Ų | 141 | 102 Ų | 102 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 174.3 | -71.7 | 176.9 | -178 | -175.1 | 0 | 112.1 | N368 I369 K370 E374 A375 E376 | N368-K372 WeakPolarHBondContact O-CG 3.41Å; N368-K372 PolarHBondContact O-N 2.9Å; N368-K372 VanDerWaalsContact O-N 3.13Å; I369-K372 WeakPolarHBondContact O-CB 3.48Å; I369-K372 PolarHBondContact O-N 3.43Å; K370-K372 VanDerWaalsContact C-N 3.31Å; K370-K372 PolarHBondContact O-N 2.96Å; K372-E374 PolarHBondContact O-N 3.39Å; K372-A375 WeakPolarHBondContact O-CB 3.49Å; K372-A375 PolarHBondContact O-N 2.84Å; K372-E376 PolarHBondContact O-N 3.05Å |
| 373 | L | 95.4 | Very high | 93.3 | Very high | 86 Ų | 86 | 101 Ų | 101 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 178 | -69.5 | 174.4 | 0 | 0 | 0 | 112.5 | I369 K370 A375 E376 I377 | I369-L373 HydrophobicContact CG2-CD1 3.98Å; I369-L373 HydrophobicContact CG2-CG 4.31Å; I369-L373 WeakPolarHBondContact O-CG 3.36Å; I369-L373 PolarHBondContact O-N 2.99Å; K370-L373 PolarHBondContact O-N 3.25Å; L373-A375 VanDerWaalsContact C-N 3.31Å; L373-A375 PolarHBondContact O-N 3.1Å; L373-E376 PolarHBondContact O-N 2.91Å; L373-I377 VanDerWaalsContact O-CG1 3.29Å; L373-I377 WeakPolarHBondContact O-CG1 3.29Å; L373-I377 PolarHBondContact O-N 3.45Å |
| 374 | E | 94.1 | Very high | 92.5 | Very high | 95 Ų | 95 | 100.2 Ų | 100.2 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 174.4 | -76.1 | 175.6 | 168.1 | 0 | 0 | 111.5 | K370 V371 K372 A378 | K370-E374 VanDerWaalsContact CE-OE1 3.27Å; K370-E374 WeakPolarHBondContact CE-OE1 3.32Å; K370-E374 HydrophobicContact CG-CG 4.42Å; K370-E374 IonicContact NZ-OE1 3.53Å; K370-E374 PolarHBondContact NZ-OE1 3.39Å; K370-E374 IonicContact NZ-OE2 2.6Å; K370-E374 WeakPolarHBondContact O-CB 3.45Å; K370-E374 WeakPolarHBondContact O-CG 3.31Å; K370-E374 PolarHBondContact O-N 3.24Å; V371-E374 PolarHBondContact O-N 2.99Å; K372-E374 PolarHBondContact O-N 3.39Å; E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 2.82Å |
| 375 | A | 92.6 | Very high | 91.4 | Very high | 56 Ų | 56 | 101.9 Ų | 101.9 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V371 K372 L373 I377 A378 T379 | V371-A375 PolarHBondContact O-N 3.04Å; K372-A375 WeakPolarHBondContact O-CB 3.49Å; K372-A375 PolarHBondContact O-N 2.84Å; L373-A375 VanDerWaalsContact C-N 3.31Å; L373-A375 PolarHBondContact O-N 3.1Å; A375-I377 PolarHBondContact O-N 2.83Å; A375-A378 WeakPolarHBondContact O-CB 3.41Å; A375-A378 PolarHBondContact O-N 2.88Å; A375-T379 WeakPolarHBondContact O-CG2 3.28Å; A375-T379 PolarHBondContact O-N 2.84Å |
| 376 | E | 94.4 | Very high | 89.6 | Confident | 91 Ų | 91 | 104 Ų | 104 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 174.8 | -71.9 | 175 | -161.8 | 0 | 0 | 111.7 | K372 L373 A378 T379 Y380 | K372-E376 PolarHBondContact O-N 3.05Å; L373-E376 PolarHBondContact O-N 2.91Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 3.28Å; E376-T379 WeakPolarHBondContact CA-OG1 3.4Å; E376-T379 PolarHBondContact O-N 3.04Å; E376-T379 VanDerWaalsContact O-N 3.12Å; E376-T379 PolarHBondContact O-OG1 3.22Å; E376-Y380 HydrophobicContact CB-CD2 4.44Å; E376-Y380 HydrophobicContact CB-CE2 4.06Å; E376-Y380 WeakPolarHBondContact O-CD2 3.33Å; E376-Y380 PolarHBondContact O-N 3.48Å |
| 377 | I | 91.6 | Very high | 87.7 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 176.3 | -68.5 | 166 | 0 | 0 | 0 | 111.2 | L373 A375 T379 Y380 R381 | L373-I377 VanDerWaalsContact O-CG1 3.29Å; L373-I377 WeakPolarHBondContact O-CG1 3.29Å; L373-I377 PolarHBondContact O-N 3.45Å; A375-I377 PolarHBondContact O-N 2.83Å; I377-T379 VanDerWaalsContact C-N 3.33Å; I377-Y380 PolarHBondContact O-N 3.27Å; I377-R381 HydrophobicContact CG2-CG 4.37Å; I377-R381 WeakPolarHBondContact O-CB 3.44Å; I377-R381 WeakPolarHBondContact O-CG 3.36Å; I377-R381 PolarHBondContact O-N 3.49Å |
| 378 | A | 91.4 | Very high | 85.6 | Confident | 57 Ų | 57 | 106.1 Ų | 106.1 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E374 A375 E376 R381 R382 | E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 2.82Å; A375-A378 WeakPolarHBondContact O-CB 3.41Å; A375-A378 PolarHBondContact O-N 2.88Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 3.28Å; A378-R381 PolarHBondContact O-N 3.46Å; A378-R382 PolarHBondContact O-N 3.33Å |
| 379 | T | 87.4 | Confident | 83.5 | Confident | 73 Ų | 73 | 110.1 Ų | 110.1 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -41.7 | 173.9 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | A375 E376 I377 R382 L383 | A375-T379 WeakPolarHBondContact O-CG2 3.28Å; A375-T379 PolarHBondContact O-N 2.84Å; E376-T379 WeakPolarHBondContact CA-OG1 3.4Å; E376-T379 PolarHBondContact O-N 3.04Å; E376-T379 VanDerWaalsContact O-N 3.12Å; E376-T379 PolarHBondContact O-OG1 3.22Å; I377-T379 VanDerWaalsContact C-N 3.33Å; T379-R382 PolarHBondContact O-N 2.94Å; T379-L383 WeakPolarHBondContact O-CG 3.31Å; T379-L383 PolarHBondContact O-N 3.41Å |
| 380 | Y | 91.6 | Very high | 81.2 | Confident | 137 Ų | 137 | 112 Ų | 112 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -40.4 | 176 | -68.1 | -50.6 | 0 | 0 | 0 | 112.2 | E376 I377 L383 L384 | E376-Y380 HydrophobicContact CB-CD2 4.44Å; E376-Y380 HydrophobicContact CB-CE2 4.06Å; E376-Y380 WeakPolarHBondContact O-CD2 3.33Å; E376-Y380 PolarHBondContact O-N 3.48Å; I377-Y380 PolarHBondContact O-N 3.27Å; Y380-L383 HydrophobicContact CD1-CD1 4.49Å; Y380-L383 WeakPolarHBondContact O-CB 3.46Å; Y380-L383 PolarHBondContact O-N 2.73Å; Y380-L384 WeakPolarHBondContact O-CB 3.35Å; Y380-L384 WeakPolarHBondContact O-CD1 3.32Å; Y380-L384 PolarHBondContact O-N 3.02Å |
| 381 | R | 88.3 | Confident | 79.4 | Confident | 158 Ų | 158 | 112.3 Ų | 112.3 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.1 | -44.6 | 174.5 | -76.4 | 178.8 | -179.6 | 170.3 | 0.7 | 111.6 | I377 A378 L383 L384 E385 | I377-R381 HydrophobicContact CG2-CG 4.37Å; I377-R381 WeakPolarHBondContact O-CB 3.44Å; I377-R381 WeakPolarHBondContact O-CG 3.36Å; I377-R381 PolarHBondContact O-N 3.49Å; A378-R381 PolarHBondContact O-N 3.46Å; R381-L383 VanDerWaalsContact C-N 3.33Å; R381-L383 PolarHBondContact O-N 2.95Å; R381-L384 PolarHBondContact O-N 2.89Å; R381-L384 VanDerWaalsContact O-N 3.11Å; R381-E385 WeakPolarHBondContact O-CB 3.35Å; R381-E385 WeakPolarHBondContact O-CG 3.38Å; R381-E385 PolarHBondContact O-N 3.42Å |
| 382 | R | 84.9 | Confident | 77.3 | Confident | 157 Ų | 157 | 114.8 Ų | 114.8 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58 | -45 | 175.1 | -168.9 | 175.5 | -178.7 | -175.5 | -6.6 | 111.6 | A378 T379 L384 D386 | A378-R382 PolarHBondContact O-N 3.33Å; T379-R382 PolarHBondContact O-N 2.94Å; R382-L384 VanDerWaalsContact C-N 3.29Å; R382-L384 PolarHBondContact O-N 3.35Å; R382-D386 VanDerWaalsContact O-CB 3.3Å; R382-D386 WeakPolarHBondContact O-CB 3.48Å; R382-D386 PolarHBondContact O-N 3.35Å |
| 383 | L | 82.9 | Confident | 75.4 | Confident | 80 Ų | 80 | 110.5 Ų | 110.5 | 42% | 0.419 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -28.7 | 175.5 | -81.1 | 170.8 | 0 | 0 | 0 | 114.6 | T379 Y380 R381 F390 | T379-L383 WeakPolarHBondContact O-CG 3.31Å; T379-L383 PolarHBondContact O-N 3.41Å; Y380-L383 HydrophobicContact CD1-CD1 4.49Å; Y380-L383 WeakPolarHBondContact O-CB 3.46Å; Y380-L383 PolarHBondContact O-N 2.73Å; R381-L383 VanDerWaalsContact C-N 3.33Å; R381-L383 PolarHBondContact O-N 2.95Å; L383-F390 HydrophobicContact CD1-CD2 4.29Å; L383-F390 HydrophobicContact CD1-CE2 4.19Å; L383-F390 HydrophobicContact CD2-CB 3.9Å; L383-F390 HydrophobicContact CD2-CD2 3.33Å; L383-F390 HydrophobicContact CD2-CE2 4.06Å; L383-F390 HydrophobicContact CD2-CG 3.9Å; L383-F390 HydrophobicContact CG-CD2 4.05Å; L383-F390 HydrophobicContact CG-CE2 4.33Å |
| 384 | L | 80.5 | Confident | 73.6 | Confident | 148 Ų | 148 | 111.2 Ų | 111.2 | 78% | 0.775 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -89.2 | -33.9 | -178.6 | -86.1 | 154.3 | 0 | 0 | 0 | 112.8 | Y380 R381 R382 | Y380-L384 WeakPolarHBondContact O-CB 3.35Å; Y380-L384 WeakPolarHBondContact O-CD1 3.32Å; Y380-L384 PolarHBondContact O-N 3.02Å; R381-L384 PolarHBondContact O-N 2.89Å; R381-L384 VanDerWaalsContact O-N 3.11Å; R382-L384 VanDerWaalsContact C-N 3.29Å; R382-L384 PolarHBondContact O-N 3.35Å |
| 385 | E | 74 | Confident | 71.7 | Confident | 157 Ų | 157 | 109.2 Ų | 109.2 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -83 | -40.1 | 178.8 | -71.2 | 173.8 | -174.6 | 0 | 0 | 111.5 | R381 | R381-E385 WeakPolarHBondContact O-CB 3.35Å; R381-E385 WeakPolarHBondContact O-CG 3.38Å; R381-E385 PolarHBondContact O-N 3.42Å |
| 386 | D | 58.5 | Low | 69.9 | Low | 94 Ų | 94 | 112.5 Ų | 112.5 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | trans | -96.4 | 91 | 175.1 | -59.2 | -31.9 | 0 | 0 | 0 | 108.9 | R382 E388 | R382-D386 VanDerWaalsContact O-CB 3.3Å; R382-D386 WeakPolarHBondContact O-CB 3.48Å; R382-D386 PolarHBondContact O-N 3.35Å; D386-E388 PolarHBondContact O-N 3.15Å | ||
| 387 | G | 57.2 | Low | 67.9 | Low | 77 Ų | 77 | 113.9 Ų | 113.9 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | trans | -68.4 | 28.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 388 | E | 52.2 | Low | 65.9 | Low | 175 Ų | 175 | 114.6 Ų | 114.6 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -138.7 | 119.7 | -175.5 | -66.2 | -171.7 | 166.3 | 0 | 0 | 112.1 | D386 | D386-E388 PolarHBondContact O-N 3.15Š|
| 389 | E | 51.7 | Low | 63.9 | Low | 168 Ų | 168 | 116.2 Ų | 116.2 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | trans | 47.1 | 86.6 | 161.7 | -62 | -174.8 | 177.8 | 0 | 0 | 119.5 | N391 | E389-N391 PolarHBondContact O-N 2.91Š| ||
| 390 | F | 48.9 | Very low | 62 | Low | 131 Ų | 131 | 119.6 Ų | 119.6 | 58% | 0.575 | 63% | 0.634 | S | S | * | * | trans | -67.3 | 97.5 | 162.1 | -169.5 | -103.4 | 0 | 0 | 0 | 111 | L383 L392 | L383-F390 HydrophobicContact CD1-CD2 4.29Å; L383-F390 HydrophobicContact CD1-CE2 4.19Å; L383-F390 HydrophobicContact CD2-CB 3.9Å; L383-F390 HydrophobicContact CD2-CD2 3.33Å; L383-F390 HydrophobicContact CD2-CE2 4.06Å; L383-F390 HydrophobicContact CD2-CG 3.9Å; L383-F390 HydrophobicContact CG-CD2 4.05Å; L383-F390 HydrophobicContact CG-CE2 4.33Å; F390-L392 HydrophobicContact CE1-CD1 4.27Å | ||
| 391 | N | 58.1 | Low | 60 | Low | 115 Ų | 115 | 117 Ų | 117 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | trans | -80.9 | 114.9 | 171.1 | -80.6 | -61.2 | 0 | 0 | 0 | 110.3 | E389 G393 D394 | E389-N391 PolarHBondContact O-N 2.91Å; N391-G393 PolarHBondContact O-N 2.78Å; N391-D394 PolarHBondContact O-N 3.23Å | ||
| 392 | L | 50.8 | Low | 58 | Low | 133 Ų | 133 | 117.4 Ų | 117.4 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -12.2 | -177.6 | -160.7 | 70.3 | 0 | 0 | 0 | 114.5 | F390 | F390-L392 HydrophobicContact CE1-CD1 4.27Š|
| 393 | G | 57.4 | Low | 56.7 | Low | 51 Ų | 51 | 114.4 Ų | 114.4 | 53% | 0.526 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71.5 | -35.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N391 A395 L396 D397 | N391-G393 PolarHBondContact O-N 2.78Å; G393-A395 VanDerWaalsContact C-N 3.3Å; G393-A395 PolarHBondContact O-N 3.49Å; G393-L396 PolarHBondContact O-N 3.26Å; G393-D397 PolarHBondContact O-N 3.42Å |
| 394 | D | 57 | Low | 55.1 | Low | 101 Ų | 101 | 114.2 Ų | 114.2 | 54% | 0.54 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.2 | -25.2 | -174.4 | -104.1 | 12 | 0 | 0 | 0 | 113 | N391 S398 | N391-D394 PolarHBondContact O-N 3.23Å; D394-S398 PolarHBondContact O-OG 2.79Å |
| 395 | A | 54 | Low | 54 | Low | 52 Ų | 52 | 112 Ų | 112 | 43% | 0.43 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -75.6 | -27.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G393 | G393-A395 VanDerWaalsContact C-N 3.3Å; G393-A395 PolarHBondContact O-N 3.49Å |
| 396 | L | 55.2 | Low | 53 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 66% | 0.66 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.9 | -36.2 | 177 | -103.5 | 84.9 | 0 | 0 | 0 | 112.3 | G393 S398 S399 | G393-L396 PolarHBondContact O-N 3.26Å; L396-S398 VanDerWaalsContact C-N 3.32Å; L396-S398 PolarHBondContact O-N 3.2Å; L396-S399 PolarHBondContact O-N 2.82Å |
| 397 | D | 51.8 | Low | 53 | Low | 119 Ų | 119 | 112 Ų | 112 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.2 | -29.9 | 179.6 | -97.3 | -5.7 | 0 | 0 | 0 | 112.8 | G393 S399 N400 | G393-D397 PolarHBondContact O-N 3.42Å; D397-S399 PolarHBondContact O-N 3.29Å; D397-N400 PolarHBondContact O-N 2.95Å |
| 398 | S | 50.8 | Low | 53 | Low | 97 Ų | 97 | 112.3 Ų | 112.3 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -21.6 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | D394 L396 | D394-S398 PolarHBondContact O-OG 2.79Å; L396-S398 VanDerWaalsContact C-N 3.32Å; L396-S398 PolarHBondContact O-N 3.2Å |
| 399 | S | 49 | Very low | 53.4 | Low | 91 Ų | 91 | 107.3 Ų | 107.3 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -19 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | L396 D397 | L396-S399 PolarHBondContact O-N 2.82Å; D397-S399 PolarHBondContact O-N 3.29Å |
| 400 | N | 47.8 | Very low | 54.1 | Low | 145 Ų | 145 | 103.3 Ų | 103.3 | 78% | 0.775 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -95.2 | -0.8 | -178.4 | -85.9 | -17 | 0 | 0 | 0 | 114.6 | D397 | D397-N400 PolarHBondContact O-N 2.95Š|
| 401 | S | 49.3 | Very low | 55.3 | Low | 82 Ų | 82 | 104 Ų | 104 | 57% | 0.573 | 58% | 0.578 | S | S | * | * | trans | -100.5 | 49 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | Q403 | S401-Q403 PolarHBondContact O-N 2.93Š| ||
| 402 | M | 46.2 | Very low | 55.5 | Low | 167 Ų | 167 | 107.1 Ų | 107.1 | 82% | 0.823 | 58% | 0.582 | S | S | * | * | trans | -80 | 87.2 | 159.2 | -78.3 | -155.7 | 75.1 | 0 | 0 | 109.4 | T404 | M402-T404 PolarHBondContact O-N 2.96Š| ||
| 403 | Q | 56.4 | Low | 56.6 | Low | 94 Ų | 94 | 105.6 Ų | 105.6 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | trans | -70.3 | 109.6 | 166 | -74.8 | -177.2 | 9 | 0 | 0 | 108.8 | S401 I405 | S401-Q403 PolarHBondContact O-N 2.93Å; Q403-I405 PolarHBondContact O-N 2.87Å | ||
| 404 | T | 50.6 | Low | 56.3 | Low | 76 Ų | 76 | 106.7 Ų | 106.7 | 47% | 0.466 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 104.7 | 173.4 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | M402 L428 | M402-T404 PolarHBondContact O-N 2.96Å; T404-L428 PolarHBondContact O-N 2.62Å |
| 405 | I | 56.9 | Low | 56.2 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 104.9 | 173.8 | -56 | 176.9 | 0 | 0 | 0 | 107.4 | Q403 K407 V427 | Q403-I405 PolarHBondContact O-N 2.87Å; I405-K407 PolarHBondContact O-N 2.97Å; I405-V427 HydrophobicContact CG1-CG2 4.39Å |
| 406 | Q | 52.4 | Low | 57.1 | Low | 117 Ų | 117 | 110.6 Ų | 110.6 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 111.5 | 168.5 | -97.8 | -174.3 | -6.3 | 0 | 0 | 108.8 | K426 | Q406-K426 PolarHBondContact N-O 2.86Å; Q406-K426 VanDerWaalsContact N-O 3.12Å; Q406-K426 PolarHBondContact O-N 2.89Å |
| 407 | K | 59.8 | Low | 57.2 | Low | 134 Ų | 134 | 112.5 Ų | 112.5 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 111.1 | 170.5 | -172.2 | 172.2 | -177.9 | -176.3 | 0 | 108.8 | I405 T425 | I405-K407 PolarHBondContact O-N 2.97Å; K407-T425 HydrophobicContact CB-CG2 4.17Å; K407-T425 HydrophobicContact CD-CG2 4.03Å; K407-T425 HydrophobicContact CG-CG2 3.77Å |
| 408 | T | 57.6 | Low | 58.2 | Low | 84 Ų | 84 | 109.6 Ų | 109.6 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.1 | 176.3 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | D424 | T408-D424 PolarHBondContact N-O 3.42Å; T408-D424 PolarHBondContact O-N 3.37Å; T408-D424 VanDerWaalsContact O-N 3.15Å |
| 409 | T | 60.5 | Low | 59.1 | Low | 70 Ų | 70 | 110 Ų | 110 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 108.9 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 109 | E421 N423 | T409-E421 HydrophobicContact CG2-CG 3.98Å; T409-N423 WeakPolarHBondContact CB-OD1 3.43Å; T409-N423 WeakPolarHBondContact CG2-OD1 3.42Å; T409-N423 PolarHBondContact OG1-OD1 2.94Å |
| 410 | T | 65.7 | Low | 60 | Low | 84 Ų | 84 | 108.6 Ų | 108.6 | 52% | 0.515 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.9 | 173.3 | 41.5 | 0 | 0 | 0 | 0 | 109.8 | T422 | T410-T422 PolarHBondContact N-O 2.88Å; T410-T422 PolarHBondContact O-N 2.88Å; T410-T422 PolarHBondContact OG1-OG1 3.48Å |
| 411 | R | 74.6 | Confident | 61.3 | Low | 144 Ų | 144 | 106.3 Ų | 106.3 | 54% | 0.543 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.3 | -179.3 | -164.3 | 176.5 | -136 | -168.2 | -1 | 110.4 | I413 V418 E421 | R411-I413 HydrophobicContact CG-CG1 4.2Å; R411-V418 HydrophobicContact CG-CG1 3.68Å; R411-V418 HydrophobicContact CG-CG2 4.23Å; R411-E421 IonicContact CZ-OE2 2.62Å; R411-E421 IonicContact NE-OE2 3.31Å; R411-E421 IonicContact NH2-OE2 3.43Å; R411-E421 PolarHBondContact NH2-OE2 2.98Å |
| 412 | R | 62.6 | Low | 62.1 | Low | 181 Ų | 181 | 106.4 Ų | 106.4 | 68% | 0.683 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.6 | 174.8 | -167.3 | 176.8 | -178.5 | 173.5 | 0.6 | 109.8 | V419 S420 | R412-V419 PolarHBondContact O-N 3.43Å; R412-S420 PolarHBondContact N-O 3.28Å |
| 413 | I | 73.9 | Confident | 63.2 | Low | 102 Ų | 102 | 102 Ų | 102 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.3 | -178.3 | -56.3 | 175 | 0 | 0 | 0 | 108.9 | R411 V418 | R411-I413 HydrophobicContact CG-CG1 4.2Å; I413-V418 HydrophobicContact CG1-CG2 4.22Å |
| 414 | V | 51.1 | Low | 63.5 | Low | 74 Ų | 74 | 103.6 Ų | 103.6 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.5 | 171.1 | -177 | 0 | 0 | 0 | 0 | 106.9 | G416 K417 V419 | V414-G416 VanDerWaalsContact C-N 3.3Å; V414-G416 PolarHBondContact O-N 3.33Å; V414-K417 PolarHBondContact N-O 2.91Å; V414-K417 PolarHBondContact O-N 2.86Å; V414-K417 VanDerWaalsContact O-O 3.1Å; V414-V419 HydrophobicContact CB-CG2 4.28Å |
| 415 | D | 55.2 | Low | 64.1 | Low | 161 Ų | 161 | 104.1 Ų | 104.1 | 86% | 0.861 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.8 | 43.1 | -178.7 | -58.2 | -25.5 | 0 | 0 | 0 | 114.9 | K417 | D415-K417 PolarHBondContact O-N 2.81Å; D415-K417 VanDerWaalsContact O-N 3.12Å |
| 416 | G | 73 | Confident | 64.3 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 75% | 0.753 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.8 | 2.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V414 | V414-G416 VanDerWaalsContact C-N 3.3Å; V414-G416 PolarHBondContact O-N 3.33Å |
| 417 | K | 55.3 | Low | 64.5 | Low | 166 Ų | 166 | 105.1 Ų | 105.1 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115 | 144.7 | 173.5 | -73.9 | -178.3 | -179.8 | 175.8 | 0 | 111.6 | V414 D415 V419 | V414-K417 PolarHBondContact N-O 2.91Å; V414-K417 PolarHBondContact O-N 2.86Å; V414-K417 VanDerWaalsContact O-O 3.1Å; D415-K417 PolarHBondContact O-N 2.81Å; D415-K417 VanDerWaalsContact O-N 3.12Å; K417-V419 PolarHBondContact O-N 3.39Å |
| 418 | V | 74.4 | Confident | 64.3 | Low | 59 Ų | 59 | 103 Ų | 103 | 36% | 0.358 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 112.9 | -175.5 | 175.3 | 0 | 0 | 0 | 0 | 108.1 | R411 I413 | R411-V418 HydrophobicContact CG-CG1 3.68Å; R411-V418 HydrophobicContact CG-CG2 4.23Å; I413-V418 HydrophobicContact CG1-CG2 4.22Å |
| 419 | V | 68.8 | Low | 63.9 | Low | 105 Ų | 105 | 109 Ų | 109 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.7 | -26.3 | -172.5 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | R412 V414 K417 | R412-V419 PolarHBondContact O-N 3.43Å; V414-V419 HydrophobicContact CB-CG2 4.28Å; K417-V419 PolarHBondContact O-N 3.39Å |
| 420 | S | 67.6 | Low | 63.5 | Low | 62 Ų | 62 | 117.4 Ų | 117.4 | 43% | 0.434 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -157.2 | 145 | 172.1 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | R412 | R412-S420 PolarHBondContact N-O 3.28Å |
| 421 | E | 75.3 | Confident | 63.4 | Low | 97 Ų | 97 | 119.1 Ų | 119.1 | 45% | 0.453 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.6 | 176.8 | -174 | 174.1 | 155.7 | 0 | 0 | 108.4 | T409 R411 | T409-E421 HydrophobicContact CG2-CG 3.98Å; R411-E421 IonicContact CZ-OE2 2.62Å; R411-E421 IonicContact NE-OE2 3.31Å; R411-E421 IonicContact NH2-OE2 3.43Å; R411-E421 PolarHBondContact NH2-OE2 2.98Å |
| 422 | T | 66.9 | Low | 62.8 | Low | 83 Ų | 83 | 117.7 Ų | 117.7 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.7 | 175.6 | 49.1 | 0 | 0 | 0 | 0 | 109.2 | T410 | T410-T422 PolarHBondContact N-O 2.88Å; T410-T422 PolarHBondContact O-N 2.88Å; T410-T422 PolarHBondContact OG1-OG1 3.48Å |
| 423 | N | 68.3 | Low | 62.8 | Low | 74 Ų | 74 | 114.2 Ų | 114.2 | 40% | 0.396 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 105.5 | -177.7 | -76.2 | -53 | 0 | 0 | 0 | 108.8 | T409 | T409-N423 WeakPolarHBondContact CB-OD1 3.43Å; T409-N423 WeakPolarHBondContact CG2-OD1 3.42Å; T409-N423 PolarHBondContact OG1-OD1 2.94Å |
| 424 | D | 64 | Low | 62.2 | Low | 128 Ų | 128 | 114.9 Ų | 114.9 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.9 | 173.3 | -92.9 | -25.3 | 0 | 0 | 0 | 109.9 | T408 | T408-D424 PolarHBondContact N-O 3.42Å; T408-D424 PolarHBondContact O-N 3.37Å; T408-D424 VanDerWaalsContact O-N 3.15Å |
| 425 | T | 61.7 | Low | 62.9 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 111.8 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | K407 | K407-T425 HydrophobicContact CB-CG2 4.17Å; K407-T425 HydrophobicContact CD-CG2 4.03Å; K407-T425 HydrophobicContact CG-CG2 3.77Å |
| 426 | K | 62.8 | Low | 63.4 | Low | 157 Ų | 157 | 114.6 Ų | 114.6 | 68% | 0.683 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.2 | 169.8 | -89.6 | -178 | 176.1 | 176.8 | 0 | 109.6 | Q406 | Q406-K426 PolarHBondContact N-O 2.86Å; Q406-K426 VanDerWaalsContact N-O 3.12Å; Q406-K426 PolarHBondContact O-N 2.89Å |
| 427 | V | 55.6 | Low | 62.7 | Low | 82 Ų | 82 | 117.6 Ų | 117.6 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 109.2 | 171.8 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | I405 | I405-V427 HydrophobicContact CG1-CG2 4.39Å |
| 428 | L | 56 | Low | 63.3 | Low | 91 Ų | 91 | 113.8 Ų | 113.8 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 109.6 | 173.3 | -71.7 | 165 | 0 | 0 | 0 | 107.9 | T404 | T404-L428 PolarHBondContact O-N 2.62Å |
| 429 | R | 49.6 | Very low | 62.4 | Low | 209 Ų | 209 | 118.4 Ų | 118.4 | 79% | 0.789 | 60% | 0.602 | S | S | * | * | trans | -82.3 | 123.9 | 163.2 | -102.1 | -175.2 | -175.1 | -174.8 | -0.3 | 107.4 | ||||
| 430 | H | 51.8 | Low | 61.8 | Low | 246 Ų | 246 | 119.6 Ų | 119.6 | 100% | 1.139 | 60% | 0.599 | S | S | * | * | trans | -79.9 | 0 | 163.6 | -94.3 | -61.8 | 0 | 0 | 0 | 110.6 |
Retrieved 430 of 430 residues in 388.3 ms
(Link to these results)