| 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 | 41.9 | Very low | 36.2 | Very low | 241 Ų | 241 | 155.5 Ų | 155.5 | 100% | 1.187 | 85% | 0.848 | S | S | * | * | 0 | 146.2 | 0 | -74.3 | -55.7 | -177.3 | 0 | 0 | 108.8 | |||||
| 2 | S | 37.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 84% | 0.839 | 86% | 0.857 | S | S | * | * | trans | -77.7 | 135.3 | -165.1 | -163.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | C | 37.3 | Very low | 36 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | -78.4 | 139.4 | 171.2 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | R | 39.1 | Very low | 36 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -125.8 | 116 | 155.2 | -85.7 | -171.3 | 167.8 | -169.3 | -2.8 | 109.1 | Y6 | R4-Y6 HydrophobicContact CB-CE1 4.02Š| ||
| 5 | S | 34.1 | Very low | 36.4 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | trans | -113.8 | 140.5 | 170.4 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 6 | Y | 36.4 | Very low | 36.5 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 74% | 0.737 | 84% | 0.835 | S | S | * | * | trans | -118.5 | 116.4 | 177.6 | -39.7 | -66 | 0 | 0 | 0 | 107.6 | R4 | R4-Y6 HydrophobicContact CB-CE1 4.02Š| ||
| 7 | R | 33.2 | Very low | 36.4 | Very low | 238 Ų | 238 | 149.4 Ų | 149.4 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | trans | -97.3 | 150.6 | 168.3 | -88.7 | -171.4 | 174.6 | -179.8 | -0.5 | 110.4 | ||||
| 8 | I | 37.9 | Very low | 36.1 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 84% | 0.841 | 84% | 0.837 | S | S | * | * | trans | -62.4 | 148.3 | 179.5 | -61.1 | 156.2 | 0 | 0 | 0 | 110.5 | ||||
| 9 | S | 30.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -130.5 | 123 | 156.2 | -73.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 10 | S | 38.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -83.2 | 137.5 | 171.2 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 11 | G | 31.5 | Very low | 35.8 | Very low | 71 Ų | 71 | 146.7 Ų | 146.7 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | -140.4 | 116 | 180 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | C | 37 | Very low | 35.6 | Very low | 141 Ų | 141 | 141 Ų | 141 | 95% | 0.953 | 81% | 0.81 | S | S | * | * | trans | -66.3 | 140.3 | -173 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | G | 33.3 | Very low | 35.3 | Very low | 68 Ų | 68 | 140.1 Ų | 140.1 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -161.9 | 79.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 14 | V | 36.8 | Very low | 35.4 | Very low | 123 Ų | 123 | 141 Ų | 141 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | trans | 56.2 | 99.7 | 161.7 | -170.6 | 0 | 0 | 0 | 0 | 117.1 | R16 | V14-R16 HydrophobicContact CG1-CG 4.31Å; V14-R16 PolarHBondContact O-N 3.4Å | ||
| 15 | T | 41.1 | Very low | 35.3 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -66.9 | 126.4 | 157.1 | 43.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 16 | R | 38.9 | Very low | 35.6 | Very low | 222 Ų | 222 | 135.3 Ų | 135.3 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -118.5 | 108.3 | 161 | -89.5 | -172.6 | 170.2 | -173.1 | -2.5 | 109.3 | V14 | V14-R16 HydrophobicContact CG1-CG 4.31Å; V14-R16 PolarHBondContact O-N 3.4Å | ||
| 17 | N | 34.2 | Very low | 35.6 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 128.3 | 175.8 | -59.6 | -9.8 | 0 | 0 | 0 | 109.2 | S19 | N17-S19 PolarHBondContact O-N 2.98Š|
| 18 | F | 30.6 | Very low | 35.9 | Very low | 210 Ų | 210 | 131.3 Ų | 131.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 121.8 | 162.9 | -79.5 | -86.6 | 0 | 0 | 0 | 108.6 | ||
| 19 | S | 33.6 | Very low | 35.7 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 127.6 | -178.8 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | N17 C21 | N17-S19 PolarHBondContact O-N 2.98Å; S19-C21 PolarHBondContact O-N 3.21Å; S19-C21 VanDerWaalsContact O-N 3.11Å |
| 20 | S | 36 | Very low | 36.2 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -75.7 | 93.6 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 21 | C | 33.3 | Very low | 36 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 72% | 0.716 | 81% | 0.808 | S | S | * | * | trans | -113.6 | 106.6 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | S19 A23 | S19-C21 PolarHBondContact O-N 3.21Å; S19-C21 VanDerWaalsContact O-N 3.11Å; C21-A23 PolarHBondContact O-N 2.95Å | ||
| 22 | S | 36.7 | Very low | 36 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.2 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 23 | A | 31.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 121.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | C21 | C21-A23 PolarHBondContact O-N 2.95Š|
| 24 | V | 39.5 | Very low | 35.7 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 121.6 | 178.7 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 25 | A | 37.1 | Very low | 35.4 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 132.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K27 | A25-K27 PolarHBondContact O-N 3Š|
| 26 | P | 40.2 | Very low | 35.1 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 127.9 | 174.6 | 28.6 | -33.3 | 0 | 0 | 0 | 110.5 | T28 | P26-T28 PolarHBondContact O-N 2.81Š|
| 27 | K | 37.1 | Very low | 34.8 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123 | 177.7 | -66.5 | 178.3 | 179.3 | 177.4 | 0 | 110.3 | A25 G29 | A25-K27 PolarHBondContact O-N 3Å; K27-G29 PolarHBondContact O-N 3.47Å; K27-G29 VanDerWaalsContact O-N 3.17Å |
| 28 | T | 37.9 | Very low | 35.5 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | -67.5 | 108.6 | 169.7 | 38.6 | 0 | 0 | 0 | 0 | 110.2 | P26 N30 | P26-T28 PolarHBondContact O-N 2.81Å; T28-N30 PolarHBondContact O-N 2.77Å | ||
| 29 | G | 34.4 | Very low | 35.4 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -78.7 | 99.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K27 R31 | K27-G29 PolarHBondContact O-N 3.47Å; K27-G29 VanDerWaalsContact O-N 3.17Å; G29-R31 PolarHBondContact O-N 3.1Å; G29-R31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | N | 40.4 | Very low | 35.6 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -60.8 | 110.1 | 170.7 | -86 | -9.6 | 0 | 0 | 0 | 111.4 | T28 | T28-N30 PolarHBondContact O-N 2.77Š| ||
| 31 | R | 35.9 | Very low | 35.4 | Very low | 235 Ų | 235 | 135.8 Ų | 135.8 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -132 | 96.3 | 156.2 | -78.8 | -168.1 | 171.6 | 179.7 | -1.7 | 109.7 | G29 | G29-R31 PolarHBondContact O-N 3.1Å; G29-R31 VanDerWaalsContact O-N 3.08Å | ||
| 32 | C | 30.1 | Very low | 35.4 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 76% | 0.757 | 82% | 0.821 | S | S | * | * | trans | -81.3 | 119 | 170.8 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 33 | C | 31.5 | Very low | 35.1 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -104.4 | 86.9 | 177.4 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | S35 | C33-S35 PolarHBondContact O-N 3.36Å; C33-S35 VanDerWaalsContact O-N 3.13Å | ||
| 34 | I | 31.8 | Very low | 35 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -76.8 | 99.2 | 178.8 | -56.7 | 177.1 | 0 | 0 | 0 | 109.5 | A36 | I34-A36 PolarHBondContact O-N 3.11Š| ||
| 35 | S | 32 | Very low | 34.7 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -82.8 | 83 | 169.3 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | C33 | C33-S35 PolarHBondContact O-N 3.36Å; C33-S35 VanDerWaalsContact O-N 3.13Å | ||
| 36 | A | 33.7 | Very low | 34.6 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -76.7 | 135.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I34 | I34-A36 PolarHBondContact O-N 3.11Š| ||
| 37 | A | 33.9 | Very low | 34.2 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -123.8 | 136.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 38 | P | 47.2 | Very low | 34.1 | Very low | 129 Ų | 129 | 144 Ų | 144 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -93.4 | 147.5 | -160.5 | 34.8 | -36.5 | 0 | 0 | 0 | 115.3 | ||||
| 39 | Y | 30.1 | Very low | 33.9 | Very low | 240 Ų | 240 | 144 Ų | 144 | 94% | 0.941 | 82% | 0.817 | S | S | * | * | trans | -84.5 | 112.3 | 167.2 | -106.4 | -100.1 | 0 | 0 | 0 | 112 | ||||
| 40 | R | 37.5 | Very low | 33.8 | Very low | 251 Ų | 251 | 143.7 Ų | 143.7 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | -155.4 | 146 | 149.7 | -71.6 | -163.7 | -177.4 | -142.4 | 3.1 | 107.5 | ||||
| 41 | G | 31 | Very low | 33.6 | Very low | 71 Ų | 71 | 145.7 Ų | 145.7 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | cis | 162.3 | 108.8 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | V | 34.4 | Very low | 33.4 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | 36.7 | 116.6 | 157.9 | -172 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 43 | S | 29.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | -179.5 | 154.5 | 112.1 | -159 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 44 | C | 30 | Very low | 33.6 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 62% | 0.622 | 82% | 0.815 | S | S | * | * | trans | -1.9 | 143.1 | 166.9 | -57.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 45 | Y | 33.5 | Very low | 33.6 | Very low | 216 Ų | 216 | 142 Ų | 142 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | -163.3 | 155.2 | 54.3 | -94.5 | -80 | 0 | 0 | 0 | 115.6 | |||||
| 46 | R | 35.3 | Very low | 33.6 | Very low | 245 Ų | 245 | 143.5 Ų | 143.5 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | 51 | 108.3 | 141.4 | -173.5 | -172.7 | -82 | -155.3 | -3.8 | 119.3 | ||||
| 47 | G | 30.8 | Very low | 33.6 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -174.3 | 111.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 48 | L | 35.9 | Very low | 33.4 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -120 | 159.2 | -179.5 | -97.5 | 169.3 | 0 | 0 | 0 | 110.8 | ||||
| 49 | T | 32.2 | Very low | 32.6 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 63.5 | 147.8 | 177.8 | 65.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 50 | G | 32.9 | Very low | 32.6 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | 115.1 | 93.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 51 | F | 35.6 | Very low | 32.5 | Very low | 205 Ų | 205 | 133.9 Ų | 133.9 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | trans | -110.9 | 106.8 | -179.7 | -96.7 | -83.1 | 0 | 0 | 0 | 112.1 | ||||
| 52 | G | 31.5 | Very low | 32.7 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -125.5 | 151.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 53 | S | 34.5 | Very low | 32.8 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -152 | 137.1 | 175.4 | -74.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 54 | R | 31.4 | Very low | 33.6 | Very low | 239 Ų | 239 | 133.7 Ų | 133.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -139.1 | 155.7 | 168.8 | -76.2 | -177.1 | 167.5 | -160 | -2 | 107 | ||||
| 55 | S | 32.8 | Very low | 34 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 68.9 | 149.3 | 156 | -67.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 56 | L | 31.5 | Very low | 33.9 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | cis | -121 | -138.6 | -14.8 | -65.3 | -179.6 | 0 | 0 | 0 | 108 | ||||
| 57 | C | 33.1 | Very low | 33.8 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | cis | -159.4 | 137.2 | -6.3 | 20.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 58 | N | 30 | Very low | 33.7 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 48 | 141.8 | 137.8 | -65.4 | 4.2 | 0 | 0 | 0 | 125.4 | ||||
| 59 | L | 31.8 | Very low | 33.4 | Very low | 173 Ų | 173 | 126.7 Ų | 126.7 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | 71.8 | 134.7 | 151.8 | -103.2 | 63.9 | 0 | 0 | 0 | 119.1 | ||||
| 60 | G | 29.9 | Very low | 33.2 | Very low | 64 Ų | 64 | 123.6 Ų | 123.6 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | 167.7 | 157.7 | -12.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 61 | S | 35.6 | Very low | 33.1 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 135.8 | 156.6 | -64.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 62 | C | 33.5 | Very low | 32.9 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | 74.4 | 133.8 | 151.6 | -63.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 63 | G | 36.9 | Very low | 33 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -100.1 | -146.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 64 | P | 47.7 | Very low | 33 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | cis | -145.5 | 159.9 | 38.3 | 42.4 | -23.6 | 0 | 0 | 0 | 119.2 | ||||
| 65 | R | 36.9 | Very low | 33.2 | Very low | 192 Ų | 192 | 126.6 Ų | 126.6 | 73% | 0.725 | 79% | 0.794 | S | S | * | * | trans | 39.6 | 145.4 | 137.2 | -72.1 | -177.2 | 165.4 | 175.1 | -7.4 | 124.3 | ||||
| 66 | I | 31.5 | Very low | 33.2 | Very low | 161 Ų | 161 | 127.7 Ų | 127.7 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | 75.9 | 150.6 | 147.5 | -73.2 | 159.6 | 0 | 0 | 0 | 116.7 | ||||
| 67 | A | 32.9 | Very low | 33.2 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 62% | 0.62 | 80% | 0.8 | S | S | * | * | cis | -170.6 | -174.7 | -37.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 68 | V | 29.7 | Very low | 33.4 | Very low | 145 Ų | 145 | 131 Ų | 131 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 70.5 | 143.3 | 174.4 | -170 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 69 | G | 29.2 | Very low | 33.5 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | cis | 133.5 | 95.9 | -5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 70 | G | 28.2 | Very low | 33.6 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -171 | 118.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 71 | F | 30.9 | Very low | 33.8 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | 29.6 | 129.8 | 147 | -65 | -82.8 | 0 | 0 | 0 | 122.7 | ||||
| 72 | R | 32 | Very low | 33.8 | Very low | 252 Ų | 252 | 137.6 Ų | 137.6 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | trans | -66.7 | 138.5 | 144.2 | -66.4 | -179.5 | 175.7 | -165.1 | -1.4 | 109.6 | ||||
| 73 | A | 33.3 | Very low | 33.8 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -130.2 | 135.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 74 | G | 34.4 | Very low | 33.8 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | -84.3 | 157.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 75 | S | 35.5 | Very low | 33.2 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | -63.6 | 134.2 | 167.7 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 76 | C | 33.3 | Very low | 33 | Very low | 127 Ų | 127 | 138 Ų | 138 | 86% | 0.858 | 84% | 0.835 | S | S | * | * | trans | -170.1 | 92.4 | 142.6 | -107.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 77 | G | 31.6 | Very low | 33.1 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -76.6 | 144.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 78 | R | 36.3 | Very low | 33.1 | Very low | 252 Ų | 252 | 139.6 Ų | 139.6 | 95% | 0.951 | 85% | 0.848 | S | S | * | * | trans | -127.8 | 120.7 | 159.1 | -77.8 | -167.4 | 171 | -151.2 | -2.6 | 109.5 | ||||
| 79 | S | 32.9 | Very low | 33.5 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | -83.3 | 142.8 | 179 | -174.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | F | 32.9 | Very low | 34.2 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -108 | 109.6 | 169.3 | -121.5 | -89.1 | 0 | 0 | 0 | 108.7 | ||||
| 81 | G | 35.3 | Very low | 34.7 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 85% | 0.847 | S | S | * | * | trans | -88.2 | 141.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 82 | Y | 34 | Very low | 35.8 | Very low | 240 Ų | 240 | 135.9 Ų | 135.9 | 94% | 0.941 | 84% | 0.838 | S | S | * | * | trans | -63 | 148.1 | 167.1 | -92.7 | -110.9 | 0 | 0 | 0 | 111.6 | ||||
| 83 | R | 33.8 | Very low | 36.4 | Very low | 242 Ų | 242 | 129.4 Ų | 129.4 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | -133.8 | 142.2 | 158 | -177.7 | 177 | -75.8 | -126.4 | 1.9 | 108.6 | ||||
| 84 | S | 36.8 | Very low | 36.5 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -129.9 | 155.3 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 85 | G | 36 | Very low | 36.9 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | 91.4 | 130.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 86 | G | 32.2 | Very low | 37.2 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 160.7 | 97.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 87 | V | 33.7 | Very low | 37.7 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -78.4 | 131.5 | -178.2 | 172.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 88 | C | 33.7 | Very low | 38.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -178.5 | 151.4 | 135.6 | -105.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 89 | G | 37.8 | Very low | 38.5 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -88.8 | -164.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 90 | P | 44.4 | Very low | 39.1 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | -141.4 | 172.9 | 26.9 | 43.5 | -26.1 | 0 | 0 | 0 | 118.3 | ||||
| 91 | S | 38 | Very low | 39.6 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 67.7 | 143.6 | 150.4 | -61.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 92 | P | 53.3 | Low | 40.4 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -103.6 | 155.2 | 176.4 | 39.2 | -33.7 | 0 | 0 | 0 | 114.6 | ||||
| 93 | P | 44.2 | Very low | 41.4 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -83.9 | 107.5 | 154.1 | 32.4 | -27.5 | 0 | 0 | 0 | 109.1 | ||||
| 94 | C | 35.8 | Very low | 42.1 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 69% | 0.689 | 77% | 0.77 | S | S | * | * | 65 | 111.8 | 82.2 | 82.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 95 | I | 43.5 | Very low | 42.5 | Very low | 165 Ų | 165 | 119 Ų | 119 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -78.1 | 120.3 | 175.5 | -63.2 | 168.8 | 0 | 0 | 0 | 108.8 | ||||
| 96 | T | 41.5 | Very low | 42.8 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -89.5 | 105.8 | 172.2 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | V98 | T96-V98 PolarHBondContact O-N 2.93Š| ||
| 97 | T | 45 | Very low | 43.5 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -71.9 | 104.9 | 170.9 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 98 | V | 38.6 | Very low | 43.7 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -89 | 130.1 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | T96 | T96-V98 PolarHBondContact O-N 2.93Š|
| 99 | S | 45.7 | Very low | 44.5 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129 | -172.8 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 100 | V | 45.8 | Very low | 45.2 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.3 | 165 | 179 | 0 | 0 | 0 | 0 | 108.8 | E102 L105 | V100-E102 PolarHBondContact O-N 3.33Å; V100-L105 HydrophobicContact CG1-CD1 4.07Å |
| 101 | N | 42.1 | Very low | 45.6 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | trans | -82.8 | 103.3 | 168.1 | -110.2 | -60.8 | 0 | 0 | 0 | 108.6 | S103 | N101-S103 PolarHBondContact O-N 3.42Š| ||
| 102 | E | 53.5 | Low | 46.4 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 4.3 | -174.6 | -58.9 | -169.3 | 140 | 0 | 0 | 114.2 | V100 | V100-E102 PolarHBondContact O-N 3.33Š|
| 103 | S | 54.8 | Low | 46.4 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -3.2 | -174.9 | -44.2 | 0 | 0 | 0 | 0 | 115.6 | N101 | N101-S103 PolarHBondContact O-N 3.42Š|
| 104 | L | 47.1 | Very low | 47.3 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -128.2 | 12.6 | -175.3 | -67.5 | 176 | 0 | 0 | 0 | 114.4 | ||
| 105 | L | 46.7 | Very low | 48.6 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | trans | -101.6 | 49.4 | 177 | -67.8 | 177.3 | 0 | 0 | 0 | 112.2 | V100 P107 | V100-L105 HydrophobicContact CG1-CD1 4.07Å; L105-P107 WeakPolarHBondContact O-CD 3.32Å | ||
| 106 | T | 42.4 | Very low | 49.5 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | trans | -75.9 | 116.8 | 161 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | L108 | T106-L108 PolarHBondContact O-N 3.31Š| ||
| 107 | P | 45.1 | Very low | 50.6 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | trans | -71.8 | 98.1 | 171.2 | -9.7 | 27.2 | 0 | 0 | 0 | 107.7 | L105 N109 | L105-P107 WeakPolarHBondContact O-CD 3.32Å; P107-N109 PolarHBondContact O-N 3.38Å | ||
| 108 | L | 38.7 | Very low | 51.9 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | trans | -65.6 | 103.9 | 167.9 | -72 | 174.6 | 0 | 0 | 0 | 107.6 | T106 L110 | T106-L108 PolarHBondContact O-N 3.31Å; L108-L110 PolarHBondContact O-N 3.37Å | ||
| 109 | N | 51.1 | Low | 53.7 | Low | 155 Ų | 155 | 117.5 Ų | 117.5 | 83% | 0.829 | 66% | 0.658 | S | S | * | * | trans | -65.9 | 78.5 | 166.5 | -89 | -30.9 | 0 | 0 | 0 | 109.1 | P107 E111 | P107-N109 PolarHBondContact O-N 3.38Å; N109-E111 PolarHBondContact O-N 2.86Å | ||
| 110 | L | 52.3 | Low | 55.1 | Low | 136 Ų | 136 | 119.5 Ų | 119.5 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | trans | -72.4 | 115.2 | 153.6 | -62.4 | 177.2 | 0 | 0 | 0 | 106.1 | L108 I112 | L108-L110 PolarHBondContact O-N 3.37Å; L110-I112 HydrophobicContact CB-CG1 4.4Å; L110-I112 PolarHBondContact O-N 3.1Å | ||
| 111 | E | 53.5 | Low | 56.6 | Low | 195 Ų | 195 | 120.1 Ų | 120.1 | 91% | 0.911 | 65% | 0.65 | S | S | * | * | trans | -67.4 | 83.7 | 167.4 | -66.4 | -176.1 | 154.3 | 0 | 0 | 108.1 | N109 D113 | N109-E111 PolarHBondContact O-N 2.86Å; E111-D113 PolarHBondContact O-N 3.44Å; E111-D113 VanDerWaalsContact O-N 3.1Å | ||
| 112 | I | 53 | Low | 58.3 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | trans | -66.7 | 110.5 | 174.6 | -59.8 | 173.9 | 0 | 0 | 0 | 106.7 | L110 A116 Q117 | L110-I112 HydrophobicContact CB-CG1 4.4Å; L110-I112 PolarHBondContact O-N 3.1Å; I112-A116 HydrophobicContact CG2-CB 4.35Å; I112-Q117 HydrophobicContact CB-CG 4.42Å; I112-Q117 HydrophobicContact CG2-CG 3.76Å | ||
| 113 | D | 53.9 | Low | 59.6 | Low | 85 Ų | 85 | 116.3 Ų | 116.3 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | trans | -35.8 | 122.9 | 176.1 | 175.4 | -3.6 | 0 | 0 | 0 | 110.9 | E111 N115 A116 Q117 | E111-D113 PolarHBondContact O-N 3.44Å; E111-D113 VanDerWaalsContact O-N 3.1Å; D113-N115 PolarHBondContact O-N 2.91Å; D113-N115 VanDerWaalsContact O-N 3.1Å; D113-N115 WeakPolarHBondContact OD1-CB 3.38Å; D113-N115 PolarHBondContact OD1-N 3.24Å; D113-N115 PolarHBondContact OD1-ND2 3.13Å; D113-A116 HydrophobicContact CB-CB 4.22Å; D113-A116 WeakPolarHBondContact O-CA 3.49Å; D113-A116 WeakPolarHBondContact O-CB 3.38Å; D113-A116 PolarHBondContact O-N 3.45Å; D113-Q117 PolarHBondContact O-N 2.86Å | ||
| 114 | P | 62.3 | Low | 61 | Low | 99 Ų | 99 | 117.8 Ų | 117.8 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.5 | -28.4 | -178.2 | 21.4 | -32.8 | 0 | 0 | 0 | 113.1 | Q117 C118 | P114-Q117 PolarHBondContact O-N 2.86Å; P114-C118 PolarHBondContact O-N 2.99Å; P114-C118 VanDerWaalsContact O-N 3.13Å |
| 115 | N | 63.9 | Low | 62.7 | Low | 113 Ų | 113 | 115 Ų | 115 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64 | -40.3 | 172.4 | -70.4 | -51.7 | 0 | 0 | 0 | 112.1 | D113 Q117 C118 V119 | D113-N115 PolarHBondContact O-N 2.91Å; D113-N115 VanDerWaalsContact O-N 3.1Å; D113-N115 WeakPolarHBondContact OD1-CB 3.38Å; D113-N115 PolarHBondContact OD1-N 3.24Å; D113-N115 PolarHBondContact OD1-ND2 3.13Å; N115-Q117 VanDerWaalsContact C-N 3.27Å; N115-Q117 PolarHBondContact O-N 3.36Å; N115-C118 PolarHBondContact O-N 3.49Å; N115-V119 WeakPolarHBondContact O-CG2 3.47Å; N115-V119 PolarHBondContact O-N 3.49Å |
| 116 | A | 62.4 | Low | 64.4 | Low | 40 Ų | 40 | 114 Ų | 114 | 33% | 0.331 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.8 | -23.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | I112 D113 K120 | I112-A116 HydrophobicContact CG2-CB 4.35Å; D113-A116 HydrophobicContact CB-CB 4.22Å; D113-A116 WeakPolarHBondContact O-CA 3.49Å; D113-A116 WeakPolarHBondContact O-CB 3.38Å; D113-A116 PolarHBondContact O-N 3.45Å; A116-K120 WeakPolarHBondContact O-CB 3.41Å; A116-K120 WeakPolarHBondContact O-CG 3.49Å; A116-K120 PolarHBondContact O-N 3.5Å |
| 117 | Q | 65.1 | Low | 66.3 | Low | 115 Ų | 115 | 113.2 Ų | 113.2 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.9 | -44.4 | 169.5 | -62.6 | -162.2 | 14.9 | 0 | 0 | 111.9 | I112 D113 P114 N115 K120 Q121 | I112-Q117 HydrophobicContact CB-CG 4.42Å; I112-Q117 HydrophobicContact CG2-CG 3.76Å; D113-Q117 PolarHBondContact O-N 2.86Å; P114-Q117 PolarHBondContact O-N 2.86Å; N115-Q117 VanDerWaalsContact C-N 3.27Å; N115-Q117 PolarHBondContact O-N 3.36Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q117-Q121 PolarHBondContact O-N 3.36Å |
| 118 | C | 72.3 | Confident | 68.1 | Low | 86 Ų | 86 | 113 Ų | 113 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.1 | -50.7 | 175.6 | -74.6 | 0 | 0 | 0 | 0 | 111.9 | P114 N115 K120 Q121 E122 | P114-C118 PolarHBondContact O-N 2.99Å; P114-C118 VanDerWaalsContact O-N 3.13Å; N115-C118 PolarHBondContact O-N 3.49Å; C118-K120 PolarHBondContact O-N 2.89Å; C118-Q121 PolarHBondContact O-N 3.07Å; C118-Q121 VanDerWaalsContact O-N 3.11Å; C118-E122 WeakPolarHBondContact O-CB 3.21Å; C118-E122 PolarHBondContact O-N 3.09Å |
| 119 | V | 75.8 | Confident | 70.4 | Confident | 78 Ų | 78 | 108.9 Ų | 108.9 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59 | -45.2 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | N115 Q121 E122 E123 | N115-V119 WeakPolarHBondContact O-CG2 3.47Å; N115-V119 PolarHBondContact O-N 3.49Å; V119-Q121 VanDerWaalsContact C-N 3.3Å; V119-Q121 PolarHBondContact O-N 3.38Å; V119-E122 PolarHBondContact O-N 3.37Å; V119-E123 HydrophobicContact CG1-CG 4.34Å; V119-E123 WeakPolarHBondContact O-CB 3.2Å; V119-E123 WeakPolarHBondContact O-CG 3.3Å; V119-E123 PolarHBondContact O-N 2.81Å |
| 120 | K | 75.3 | Confident | 72.2 | Confident | 143 Ų | 143 | 105.7 Ų | 105.7 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.4 | -29.1 | 177.4 | -77.5 | -180 | 177.5 | 177.4 | 0 | 113.6 | A116 Q117 C118 K124 | A116-K120 WeakPolarHBondContact O-CB 3.41Å; A116-K120 WeakPolarHBondContact O-CG 3.49Å; A116-K120 PolarHBondContact O-N 3.5Å; Q117-K120 PolarHBondContact O-N 3.48Å; C118-K120 PolarHBondContact O-N 2.89Å; K120-K124 WeakPolarHBondContact O-CB 3.47Å; K120-K124 PolarHBondContact O-N 2.78Å; K120-K124 VanDerWaalsContact O-N 3.09Å |
| 121 | Q | 76.4 | Confident | 73.9 | Confident | 119 Ų | 119 | 103.7 Ų | 103.7 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.1 | -38.3 | 173.9 | -176.5 | 155.2 | -31.1 | 0 | 0 | 111.5 | Q117 C118 V119 K124 E125 | Q117-Q121 PolarHBondContact O-N 3.36Å; C118-Q121 PolarHBondContact O-N 3.07Å; C118-Q121 VanDerWaalsContact O-N 3.11Å; V119-Q121 VanDerWaalsContact C-N 3.3Å; V119-Q121 PolarHBondContact O-N 3.38Å; Q121-K124 WeakPolarHBondContact O-CB 3.35Å; Q121-K124 PolarHBondContact O-N 3.39Å; Q121-E125 PolarHBondContact NE2-OE1 2.92Å; Q121-E125 WeakPolarHBondContact O-CB 3.14Å; Q121-E125 WeakPolarHBondContact O-CG 3.35Å; Q121-E125 PolarHBondContact O-N 2.97Å |
| 122 | E | 79.6 | Confident | 75.5 | Confident | 119 Ų | 119 | 98.2 Ų | 98.2 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -46.2 | 174 | -169.3 | 172.5 | -172.3 | 0 | 0 | 111.5 | C118 V119 K124 E125 Q126 | C118-E122 WeakPolarHBondContact O-CB 3.21Å; C118-E122 PolarHBondContact O-N 3.09Å; V119-E122 PolarHBondContact O-N 3.37Å; E122-K124 VanDerWaalsContact C-N 3.31Å; E122-K124 PolarHBondContact O-N 3.24Å; E122-E125 CarbonylContact O-C 3.57Å; E122-E125 PolarHBondContact O-N 3.28Å; E122-E125 VanDerWaalsContact O-N 3.07Å; E122-Q126 WeakPolarHBondContact O-CG 3.32Å; E122-Q126 PolarHBondContact O-N 3.3Å |
| 123 | E | 80.4 | Confident | 77.2 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -54.6 | -46.1 | 169.8 | -75.4 | 179.6 | 149.7 | 0 | 0 | 111.4 | V119 E125 Q126 I127 | V119-E123 HydrophobicContact CG1-CG 4.34Å; V119-E123 WeakPolarHBondContact O-CB 3.2Å; V119-E123 WeakPolarHBondContact O-CG 3.3Å; V119-E123 PolarHBondContact O-N 2.81Å; E123-E125 VanDerWaalsContact C-N 3.27Å; E123-E125 PolarHBondContact O-N 2.86Å; E123-Q126 PolarHBondContact O-N 3.34Å; E123-I127 WeakPolarHBondContact O-CB 3.36Å; E123-I127 WeakPolarHBondContact O-CD1 3.42Å; E123-I127 WeakPolarHBondContact O-CG1 3.43Å; E123-I127 PolarHBondContact O-N 2.81Å |
| 124 | K | 82.9 | Confident | 79.1 | Confident | 132 Ų | 132 | 102.7 Ų | 102.7 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -31.2 | 177.6 | -177.3 | 178.7 | -175.7 | 178.8 | 0 | 112.2 | K120 Q121 E122 K128 | K120-K124 WeakPolarHBondContact O-CB 3.47Å; K120-K124 PolarHBondContact O-N 2.78Å; K120-K124 VanDerWaalsContact O-N 3.09Å; Q121-K124 WeakPolarHBondContact O-CB 3.35Å; Q121-K124 PolarHBondContact O-N 3.39Å; E122-K124 VanDerWaalsContact C-N 3.31Å; E122-K124 PolarHBondContact O-N 3.24Å; K124-K128 WeakPolarHBondContact O-CB 3.45Å; K124-K128 WeakPolarHBondContact O-CG 3.49Å; K124-K128 PolarHBondContact O-N 2.9Å |
| 125 | E | 82.7 | Confident | 80.4 | Confident | 93 Ų | 93 | 100.3 Ų | 100.3 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.7 | -35.6 | 176.2 | -74.8 | 175.2 | -160.1 | 0 | 0 | 112.7 | Q121 E122 E123 K128 S129 | Q121-E125 PolarHBondContact NE2-OE1 2.92Å; Q121-E125 WeakPolarHBondContact O-CB 3.14Å; Q121-E125 WeakPolarHBondContact O-CG 3.35Å; Q121-E125 PolarHBondContact O-N 2.97Å; E122-E125 CarbonylContact O-C 3.57Å; E122-E125 PolarHBondContact O-N 3.28Å; E122-E125 VanDerWaalsContact O-N 3.07Å; E123-E125 VanDerWaalsContact C-N 3.27Å; E123-E125 PolarHBondContact O-N 2.86Å; E125-K128 HydrophobicContact CG-CD 4.2Å; E125-K128 PolarHBondContact O-N 3.32Å; E125-S129 WeakPolarHBondContact O-CB 3.47Å; E125-S129 PolarHBondContact O-N 3.34Å |
| 126 | Q | 82.8 | Confident | 81.7 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 167.2 | -69.4 | -178.6 | 21.6 | 0 | 0 | 110.8 | E122 E123 K128 S129 L130 | E122-Q126 WeakPolarHBondContact O-CG 3.32Å; E122-Q126 PolarHBondContact O-N 3.3Å; E123-Q126 PolarHBondContact O-N 3.34Å; Q126-K128 PolarHBondContact O-N 3.03Å; Q126-S129 WeakPolarHBondContact O-CB 3.44Å; Q126-S129 PolarHBondContact O-N 2.82Å; Q126-S129 VanDerWaalsContact O-N 3.1Å; Q126-S129 PolarHBondContact O-OG 3.31Å; Q126-L130 WeakPolarHBondContact O-CB 3.33Å; Q126-L130 PolarHBondContact O-N 3.23Å |
| 127 | I | 82 | Confident | 83.2 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.5 | -69.4 | 164.6 | 0 | 0 | 0 | 111.5 | E123 S129 L130 N131 | E123-I127 WeakPolarHBondContact O-CB 3.36Å; E123-I127 WeakPolarHBondContact O-CD1 3.42Å; E123-I127 WeakPolarHBondContact O-CG1 3.43Å; E123-I127 PolarHBondContact O-N 2.81Å; I127-S129 VanDerWaalsContact C-N 3.34Å; I127-S129 PolarHBondContact O-N 3.49Å; I127-L130 PolarHBondContact O-N 2.85Å; I127-N131 VanDerWaalsContact O-CB 3.32Å; I127-N131 WeakPolarHBondContact O-CB 3.49Å; I127-N131 VanDerWaalsContact O-CG 3.27Å; I127-N131 PolarHBondContact O-N 3.26Å; I127-N131 PolarHBondContact O-ND2 2.99Å |
| 128 | K | 84.4 | Confident | 84.5 | Confident | 114 Ų | 114 | 101.5 Ų | 101.5 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 170.7 | -77.1 | 166.9 | -173.3 | 169.2 | 0 | 111.6 | K124 E125 Q126 L130 N131 S132 | K124-K128 WeakPolarHBondContact O-CB 3.45Å; K124-K128 WeakPolarHBondContact O-CG 3.49Å; K124-K128 PolarHBondContact O-N 2.9Å; E125-K128 HydrophobicContact CG-CD 4.2Å; E125-K128 PolarHBondContact O-N 3.32Å; Q126-K128 PolarHBondContact O-N 3.03Å; K128-L130 VanDerWaalsContact C-N 3.33Å; K128-L130 PolarHBondContact O-N 3.34Å; K128-N131 PolarHBondContact O-N 3.41Å; K128-S132 VanDerWaalsContact O-CB 3.3Å; K128-S132 WeakPolarHBondContact O-CB 3.47Å; K128-S132 PolarHBondContact O-N 2.85Å |
| 129 | S | 86.2 | Confident | 85.5 | Confident | 56 Ų | 56 | 101.9 Ų | 101.9 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 179.9 | 84.6 | 0 | 0 | 0 | 0 | 112 | E125 Q126 I127 S132 R133 | E125-S129 WeakPolarHBondContact O-CB 3.47Å; E125-S129 PolarHBondContact O-N 3.34Å; Q126-S129 WeakPolarHBondContact O-CB 3.44Å; Q126-S129 PolarHBondContact O-N 2.82Å; Q126-S129 VanDerWaalsContact O-N 3.1Å; Q126-S129 PolarHBondContact O-OG 3.31Å; I127-S129 VanDerWaalsContact C-N 3.34Å; I127-S129 PolarHBondContact O-N 3.49Å; S129-S132 PolarHBondContact O-N 3.48Å; S129-R133 WeakPolarHBondContact O-CG 3.31Å; S129-R133 PolarHBondContact O-N 2.85Å |
| 130 | L | 88.3 | Confident | 86.4 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -44.9 | 177.1 | -160.6 | 75.1 | 0 | 0 | 0 | 110.9 | Q126 I127 K128 S132 R133 F134 | Q126-L130 WeakPolarHBondContact O-CB 3.33Å; Q126-L130 PolarHBondContact O-N 3.23Å; I127-L130 PolarHBondContact O-N 2.85Å; K128-L130 VanDerWaalsContact C-N 3.33Å; K128-L130 PolarHBondContact O-N 3.34Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 3.48Å; L130-R133 WeakPolarHBondContact O-CB 3.27Å; L130-R133 PolarHBondContact O-N 2.87Å; L130-F134 HydrophobicContact CD2-CE2 3.76Å; L130-F134 HydrophobicContact CD2-CZ 4.45Å; L130-F134 HydrophobicContact CG-CD2 4.11Å; L130-F134 HydrophobicContact CG-CE2 3.63Å; L130-F134 HydrophobicContact CG-CZ 4.33Å; L130-F134 VanDerWaalsContact O-CD2 3.25Å; L130-F134 WeakPolarHBondContact O-CD2 3.25Å; L130-F134 PolarHBondContact O-N 3.1Å |
| 131 | N | 88.1 | Confident | 87.3 | Confident | 93 Ų | 93 | 100.2 Ų | 100.2 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -35.8 | 174.7 | -73.3 | -15.7 | 0 | 0 | 0 | 112.5 | I127 K128 F134 A135 | I127-N131 VanDerWaalsContact O-CB 3.32Å; I127-N131 WeakPolarHBondContact O-CB 3.49Å; I127-N131 VanDerWaalsContact O-CG 3.27Å; I127-N131 PolarHBondContact O-N 3.26Å; I127-N131 PolarHBondContact O-ND2 2.99Å; K128-N131 PolarHBondContact O-N 3.41Å; N131-F134 PolarHBondContact O-N 2.74Å; N131-A135 WeakPolarHBondContact O-CB 3.45Å; N131-A135 PolarHBondContact O-N 3Å |
| 132 | S | 88 | Confident | 88.1 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 172.4 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | K128 S129 L130 A135 A136 | K128-S132 VanDerWaalsContact O-CB 3.3Å; K128-S132 WeakPolarHBondContact O-CB 3.47Å; K128-S132 PolarHBondContact O-N 2.85Å; S129-S132 PolarHBondContact O-N 3.48Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 3.48Å; S132-A135 PolarHBondContact O-N 3.39Å; S132-A136 PolarHBondContact O-N 3.34Å |
| 133 | R | 89.3 | Confident | 88.8 | Confident | 166 Ų | 166 | 100.1 Ų | 100.1 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 171.7 | -72.2 | 172.3 | 179 | -177.8 | 1.4 | 112 | S129 L130 A136 F137 | S129-R133 WeakPolarHBondContact O-CG 3.31Å; S129-R133 PolarHBondContact O-N 2.85Å; L130-R133 WeakPolarHBondContact O-CB 3.27Å; L130-R133 PolarHBondContact O-N 2.87Å; R133-A136 PolarHBondContact O-N 2.93Å; R133-F137 WeakPolarHBondContact O-CD2 3.47Å; R133-F137 PolarHBondContact O-N 3.46Å |
| 134 | F | 92.1 | Very high | 89.5 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.1 | -75.3 | -51.1 | 0 | 0 | 0 | 112.5 | L130 N131 F137 I138 | L130-F134 HydrophobicContact CD2-CE2 3.76Å; L130-F134 HydrophobicContact CD2-CZ 4.45Å; L130-F134 HydrophobicContact CG-CD2 4.11Å; L130-F134 HydrophobicContact CG-CE2 3.63Å; L130-F134 HydrophobicContact CG-CZ 4.33Å; L130-F134 VanDerWaalsContact O-CD2 3.25Å; L130-F134 WeakPolarHBondContact O-CD2 3.25Å; L130-F134 PolarHBondContact O-N 3.1Å; N131-F134 PolarHBondContact O-N 2.74Å; F134-F137 PolarHBondContact O-N 2.72Å; F134-I138 WeakPolarHBondContact O-CB 3.42Å; F134-I138 VanDerWaalsContact O-CG1 3.27Å; F134-I138 WeakPolarHBondContact O-CG1 3.35Å; F134-I138 PolarHBondContact O-N 3.22Å |
| 135 | A | 89.8 | Confident | 90 | Very high | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N131 S132 F137 I138 D139 | N131-A135 WeakPolarHBondContact O-CB 3.45Å; N131-A135 PolarHBondContact O-N 3Å; S132-A135 PolarHBondContact O-N 3.39Å; A135-F137 VanDerWaalsContact C-N 3.3Å; A135-F137 PolarHBondContact O-N 3.19Å; A135-I138 PolarHBondContact O-N 3.43Å; A135-I138 VanDerWaalsContact O-N 3.14Å; A135-D139 PolarHBondContact O-N 2.82Å |
| 136 | A | 91 | Very high | 90.6 | Very high | 63 Ų | 63 | 99.9 Ų | 99.9 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | S132 R133 K140 | S132-A136 PolarHBondContact O-N 3.34Å; R133-A136 PolarHBondContact O-N 2.93Å; A136-K140 VanDerWaalsContact O-CB 3.31Å; A136-K140 WeakPolarHBondContact O-CB 3.5Å; A136-K140 PolarHBondContact O-N 3.48Å |
| 137 | F | 94.6 | Very high | 91.2 | Very high | 140 Ų | 140 | 98.7 Ų | 98.7 | 61% | 0.614 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 172.3 | -82.4 | -62.8 | 0 | 0 | 0 | 112.6 | R133 F134 A135 K140 V141 | R133-F137 WeakPolarHBondContact O-CD2 3.47Å; R133-F137 PolarHBondContact O-N 3.46Å; F134-F137 PolarHBondContact O-N 2.72Å; A135-F137 VanDerWaalsContact C-N 3.3Å; A135-F137 PolarHBondContact O-N 3.19Å; F137-K140 PolarHBondContact O-N 2.96Å; F137-V141 WeakPolarHBondContact O-CG2 3.43Å; F137-V141 PolarHBondContact O-N 3Å |
| 138 | I | 92.2 | Very high | 91.8 | Very high | 90 Ų | 90 | 99 Ų | 99 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.6 | -72.1 | 163 | 0 | 0 | 0 | 110.6 | F134 A135 K140 V141 R142 | F134-I138 WeakPolarHBondContact O-CB 3.42Å; F134-I138 VanDerWaalsContact O-CG1 3.27Å; F134-I138 WeakPolarHBondContact O-CG1 3.35Å; F134-I138 PolarHBondContact O-N 3.22Å; A135-I138 PolarHBondContact O-N 3.43Å; A135-I138 VanDerWaalsContact O-N 3.14Å; I138-K140 VanDerWaalsContact C-N 3.34Å; I138-K140 PolarHBondContact O-N 2.97Å; I138-V141 PolarHBondContact O-N 3.41Å; I138-R142 WeakPolarHBondContact O-CG 3.43Å; I138-R142 PolarHBondContact O-N 3.44Å |
| 139 | D | 93.4 | Very high | 92.3 | Very high | 94 Ų | 94 | 100.5 Ų | 100.5 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | 177 | -69.8 | -28.5 | 0 | 0 | 0 | 111.9 | A135 R142 F143 | A135-D139 PolarHBondContact O-N 2.82Å; D139-R142 PolarHBondContact O-N 3.14Å; D139-R142 IonicContact OD1-NH1 3.66Å; D139-F143 WeakPolarHBondContact O-CB 3.49Å; D139-F143 PolarHBondContact O-N 3.23Å |
| 140 | K | 94.2 | Very high | 92.7 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 172.7 | -174.4 | 57.6 | 178.6 | 177.4 | 0 | 112.7 | A136 F137 I138 L144 | A136-K140 VanDerWaalsContact O-CB 3.31Å; A136-K140 WeakPolarHBondContact O-CB 3.5Å; A136-K140 PolarHBondContact O-N 3.48Å; F137-K140 PolarHBondContact O-N 2.96Å; I138-K140 VanDerWaalsContact C-N 3.34Å; I138-K140 PolarHBondContact O-N 2.97Å; K140-L144 HydrophobicContact CG-CD1 4.39Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 3.09Å; K140-L144 VanDerWaalsContact O-N 3.09Å |
| 141 | V | 94.8 | Very high | 93 | Very high | 77 Ų | 77 | 103.4 Ų | 103.4 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 110 | F137 I138 F143 L144 E145 | F137-V141 WeakPolarHBondContact O-CG2 3.43Å; F137-V141 PolarHBondContact O-N 3Å; I138-V141 PolarHBondContact O-N 3.41Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 3.3Å; V141-L144 CarbonylContact O-C 3.56Å; V141-L144 WeakPolarHBondContact O-CA 3.42Å; V141-L144 PolarHBondContact O-N 2.86Å; V141-E145 HydrophobicContact CG1-CG 4.27Å; V141-E145 WeakPolarHBondContact O-CG 3.48Å; V141-E145 PolarHBondContact O-N 2.93Å |
| 142 | R | 92.5 | Very high | 93.2 | Very high | 140 Ų | 140 | 104.2 Ų | 104.2 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.7 | -40.6 | 176.5 | -74.2 | 168.9 | 167.9 | -177.5 | -5.4 | 113 | I138 D139 E145 Q146 | I138-R142 WeakPolarHBondContact O-CG 3.43Å; I138-R142 PolarHBondContact O-N 3.44Å; D139-R142 PolarHBondContact O-N 3.14Å; D139-R142 IonicContact OD1-NH1 3.66Å; R142-E145 PolarHBondContact O-N 3Å; R142-Q146 WeakPolarHBondContact O-CB 3.38Å; R142-Q146 VanDerWaalsContact O-CG 3.31Å; R142-Q146 WeakPolarHBondContact O-CG 3.44Å; R142-Q146 PolarHBondContact O-N 3.39Å |
| 143 | F | 95.6 | Very high | 93.4 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.2 | 178.1 | -91.8 | 0 | 0 | 0 | 111.9 | D139 V141 Q146 Q147 | D139-F143 WeakPolarHBondContact O-CB 3.49Å; D139-F143 PolarHBondContact O-N 3.23Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 3.3Å; F143-Q146 PolarHBondContact O-N 3.31Å; F143-Q147 HydrophobicContact CD1-CG 4.35Å; F143-Q147 HydrophobicContact CE1-CG 3.98Å; F143-Q147 VanDerWaalsContact CE1-OE1 3.23Å; F143-Q147 HydrophobicContact CZ-CG 4.18Å; F143-Q147 WeakPolarHBondContact O-CG 3.32Å; F143-Q147 PolarHBondContact O-N 2.93Å |
| 144 | L | 94.6 | Very high | 93.5 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 39% | 0.387 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -36.5 | 176.9 | -69.6 | 169.5 | 0 | 0 | 0 | 112.3 | K140 V141 Q147 N148 | K140-L144 HydrophobicContact CG-CD1 4.39Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 3.09Å; K140-L144 VanDerWaalsContact O-N 3.09Å; V141-L144 CarbonylContact O-C 3.56Å; V141-L144 WeakPolarHBondContact O-CA 3.42Å; V141-L144 PolarHBondContact O-N 2.86Å; L144-Q147 PolarHBondContact O-N 3.45Å; L144-N148 WeakPolarHBondContact O-CB 3.31Å; L144-N148 PolarHBondContact O-N 2.98Å |
| 145 | E | 93.4 | Very high | 93.2 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 171.6 | -70.6 | 174.3 | 161.9 | 0 | 0 | 111.9 | V141 R142 N148 K149 | V141-E145 HydrophobicContact CG1-CG 4.27Å; V141-E145 WeakPolarHBondContact O-CG 3.48Å; V141-E145 PolarHBondContact O-N 2.93Å; R142-E145 PolarHBondContact O-N 3Å; E145-N148 PolarHBondContact O-N 2.92Å; E145-K149 PolarHBondContact O-N 3.19Å |
| 146 | Q | 94.8 | Very high | 93 | Very high | 137 Ų | 137 | 106.5 Ų | 106.5 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -42.1 | 174.6 | -73.7 | 176.4 | 2.9 | 0 | 0 | 111.8 | R142 F143 K149 L150 | R142-Q146 WeakPolarHBondContact O-CB 3.38Å; R142-Q146 VanDerWaalsContact O-CG 3.31Å; R142-Q146 WeakPolarHBondContact O-CG 3.44Å; R142-Q146 PolarHBondContact O-N 3.39Å; F143-Q146 PolarHBondContact O-N 3.31Å; Q146-K149 PolarHBondContact O-N 2.92Å; Q146-L150 PolarHBondContact O-N 2.87Å |
| 147 | Q | 95.7 | Very high | 92.8 | Very high | 89 Ų | 89 | 109.3 Ų | 109.3 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 174.3 | -74.4 | -164.3 | -41.1 | 0 | 0 | 112.2 | F143 L144 L150 L151 | F143-Q147 HydrophobicContact CD1-CG 4.35Å; F143-Q147 HydrophobicContact CE1-CG 3.98Å; F143-Q147 VanDerWaalsContact CE1-OE1 3.23Å; F143-Q147 HydrophobicContact CZ-CG 4.18Å; F143-Q147 WeakPolarHBondContact O-CG 3.32Å; F143-Q147 PolarHBondContact O-N 2.93Å; L144-Q147 PolarHBondContact O-N 3.45Å; Q147-L150 WeakPolarHBondContact O-CB 3.18Å; Q147-L150 PolarHBondContact O-N 3.26Å; Q147-L151 WeakPolarHBondContact O-CG 3.36Å; Q147-L151 PolarHBondContact O-N 3.09Å |
| 148 | N | 94.1 | Very high | 92.2 | Very high | 101 Ų | 101 | 109.9 Ų | 109.9 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.9 | -77.6 | -9.1 | 0 | 0 | 0 | 111.6 | L144 E145 L150 L151 E152 | L144-N148 WeakPolarHBondContact O-CB 3.31Å; L144-N148 PolarHBondContact O-N 2.98Å; E145-N148 PolarHBondContact O-N 2.92Å; N148-L150 VanDerWaalsContact C-N 3.3Å; N148-L150 PolarHBondContact O-N 3.39Å; N148-L151 PolarHBondContact O-N 2.8Å; N148-E152 VanDerWaalsContact O-CB 3.27Å; N148-E152 WeakPolarHBondContact O-CB 3.48Å; N148-E152 PolarHBondContact O-N 3.18Å |
| 149 | K | 95.3 | Very high | 91.5 | Very high | 147 Ų | 147 | 110.3 Ų | 110.3 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -35.3 | 172.8 | -80.2 | -179.5 | 174.5 | 173.2 | 0 | 113.1 | E145 Q146 T153 | E145-K149 PolarHBondContact O-N 3.19Å; Q146-K149 PolarHBondContact O-N 2.92Å; K149-T153 WeakPolarHBondContact O-CB 3.27Å; K149-T153 WeakPolarHBondContact O-CG2 3.32Å; K149-T153 PolarHBondContact O-N 3.48Å; K149-T153 PolarHBondContact O-OG1 3.32Å |
| 150 | L | 95.8 | Very high | 90.6 | Very high | 95 Ų | 95 | 112.4 Ų | 112.4 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 174.2 | -167 | 85.1 | 0 | 0 | 0 | 111.9 | Q146 Q147 N148 T153 K154 | Q146-L150 PolarHBondContact O-N 2.87Å; Q147-L150 WeakPolarHBondContact O-CB 3.18Å; Q147-L150 PolarHBondContact O-N 3.26Å; N148-L150 VanDerWaalsContact C-N 3.3Å; N148-L150 PolarHBondContact O-N 3.39Å; L150-T153 PolarHBondContact O-OG1 3.32Å; L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 VanDerWaalsContact O-CG 3.23Å; L150-K154 WeakPolarHBondContact O-CG 3.3Å; L150-K154 PolarHBondContact O-N 2.79Å; L150-K154 VanDerWaalsContact O-N 3.09Å |
| 151 | L | 94.1 | Very high | 89.3 | Confident | 109 Ų | 109 | 112.3 Ų | 112.3 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.9 | -41 | 176.7 | -70.9 | 169.9 | 0 | 0 | 0 | 111.7 | Q147 N148 K154 W155 | Q147-L151 WeakPolarHBondContact O-CG 3.36Å; Q147-L151 PolarHBondContact O-N 3.09Å; N148-L151 PolarHBondContact O-N 2.8Å; L151-K154 PolarHBondContact O-N 3.26Å; L151-W155 WeakPolarHBondContact O-CB 3.31Å; L151-W155 PolarHBondContact O-N 2.79Å |
| 152 | E | 92.6 | Very high | 87.5 | Confident | 110 Ų | 110 | 118.3 Ų | 118.3 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.6 | -177.5 | 173.2 | -141.6 | 0 | 0 | 111.9 | N148 W155 Q156 | N148-E152 VanDerWaalsContact O-CB 3.27Å; N148-E152 WeakPolarHBondContact O-CB 3.48Å; N148-E152 PolarHBondContact O-N 3.18Å; E152-W155 PolarHBondContact O-N 2.88Å; E152-Q156 WeakPolarHBondContact O-CB 3.34Å; E152-Q156 VanDerWaalsContact O-CG 3.31Å; E152-Q156 WeakPolarHBondContact O-CG 3.32Å; E152-Q156 PolarHBondContact O-N 2.82Å |
| 153 | T | 90.9 | Very high | 85.8 | Confident | 79 Ų | 79 | 117 Ų | 117 | 49% | 0.485 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 174.6 | 48.4 | 0 | 0 | 0 | 0 | 112.6 | K149 L150 F157 | K149-T153 WeakPolarHBondContact O-CB 3.27Å; K149-T153 WeakPolarHBondContact O-CG2 3.32Å; K149-T153 PolarHBondContact O-N 3.48Å; K149-T153 PolarHBondContact O-OG1 3.32Å; L150-T153 PolarHBondContact O-OG1 3.32Å; T153-F157 WeakPolarHBondContact O-CB 3.23Å; T153-F157 PolarHBondContact O-N 2.9Å |
| 154 | K | 91.6 | Very high | 84 | Confident | 106 Ų | 106 | 118.5 Ų | 118.5 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.9 | -41.5 | 170.1 | -78.4 | 176.3 | 177.9 | -175.2 | 0 | 112.4 | L150 L151 F157 Y158 | L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 VanDerWaalsContact O-CG 3.23Å; L150-K154 WeakPolarHBondContact O-CG 3.3Å; L150-K154 PolarHBondContact O-N 2.79Å; L150-K154 VanDerWaalsContact O-N 3.09Å; L151-K154 PolarHBondContact O-N 3.26Å; K154-F157 WeakPolarHBondContact O-CB 3.38Å; K154-F157 PolarHBondContact O-N 3.44Å; K154-Y158 WeakPolarHBondContact O-CD2 3.34Å; K154-Y158 PolarHBondContact O-N 2.79Å |
| 155 | W | 85.2 | Confident | 82.4 | Confident | 174 Ų | 174 | 122.5 Ų | 122.5 | 66% | 0.659 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.5 | -49.1 | 176.8 | 175.3 | -90.5 | 0 | 0 | 0 | 111.1 | L151 E152 F157 Y158 Q159 | L151-W155 WeakPolarHBondContact O-CB 3.31Å; L151-W155 PolarHBondContact O-N 2.79Å; E152-W155 PolarHBondContact O-N 2.88Å; W155-F157 VanDerWaalsContact C-N 3.29Å; W155-F157 PolarHBondContact O-N 3.19Å; W155-Y158 PolarHBondContact O-N 3.39Å; W155-Q159 VanDerWaalsContact O-CB 3.29Å; W155-Q159 WeakPolarHBondContact O-CB 3.38Å; W155-Q159 PolarHBondContact O-N 2.96Å |
| 156 | Q | 87.1 | Confident | 81.1 | Confident | 96 Ų | 96 | 121.9 Ų | 121.9 | 45% | 0.449 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.1 | -40.6 | 174.4 | -70.4 | 173.1 | 12 | 0 | 0 | 111.6 | E152 Q159 N160 | E152-Q156 WeakPolarHBondContact O-CB 3.34Å; E152-Q156 VanDerWaalsContact O-CG 3.31Å; E152-Q156 WeakPolarHBondContact O-CG 3.32Å; E152-Q156 PolarHBondContact O-N 2.82Å; Q156-Q159 PolarHBondContact O-N 2.82Å; Q156-N160 VanDerWaalsContact O-CB 3.3Å; Q156-N160 WeakPolarHBondContact O-CB 3.2Å; Q156-N160 PolarHBondContact O-N 3.26Å; Q156-N160 PolarHBondContact O-ND2 3.07Å |
| 157 | F | 86.4 | Confident | 80 | Confident | 121 Ų | 121 | 120.6 Ų | 120.6 | 53% | 0.531 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.8 | -53.3 | 174 | -177.5 | -95 | 0 | 0 | 0 | 111.5 | T153 K154 W155 Q159 N160 Q161 | T153-F157 WeakPolarHBondContact O-CB 3.23Å; T153-F157 PolarHBondContact O-N 2.9Å; K154-F157 WeakPolarHBondContact O-CB 3.38Å; K154-F157 PolarHBondContact O-N 3.44Å; W155-F157 VanDerWaalsContact C-N 3.29Å; W155-F157 PolarHBondContact O-N 3.19Å; F157-Q159 VanDerWaalsContact C-N 3.33Å; F157-Q159 PolarHBondContact O-N 2.92Å; F157-N160 CarbonylContact O-C 3.56Å; F157-N160 PolarHBondContact O-N 3.09Å; F157-Q161 VanDerWaalsContact CE1-OE1 3.26Å; F157-Q161 WeakPolarHBondContact O-CB 3.13Å; F157-Q161 PolarHBondContact O-N 3.13Å |
| 158 | Y | 81.7 | Confident | 79.5 | Confident | 152 Ų | 152 | 120.5 Ų | 120.5 | 60% | 0.596 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.6 | -33.5 | 178.4 | -71.9 | -57.4 | 0 | 0 | 0 | 113.6 | K154 W155 Q161 R162 | K154-Y158 WeakPolarHBondContact O-CD2 3.34Å; K154-Y158 PolarHBondContact O-N 2.79Å; W155-Y158 PolarHBondContact O-N 3.39Å; Y158-Q161 CarbonylContact O-C 3.58Å; Y158-Q161 PolarHBondContact O-N 3.39Å; Y158-R162 PolarHBondContact O-N 2.74Å |
| 159 | Q | 78.3 | Confident | 79.2 | Confident | 99 Ų | 99 | 122.3 Ų | 122.3 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69 | -38 | 176.1 | -175.1 | 169.9 | -6.6 | 0 | 0 | 111.8 | W155 Q156 F157 Q161 R162 | W155-Q159 VanDerWaalsContact O-CB 3.29Å; W155-Q159 WeakPolarHBondContact O-CB 3.38Å; W155-Q159 PolarHBondContact O-N 2.96Å; Q156-Q159 PolarHBondContact O-N 2.82Å; F157-Q159 VanDerWaalsContact C-N 3.33Å; F157-Q159 PolarHBondContact O-N 2.92Å; Q159-Q161 VanDerWaalsContact C-N 3.35Å; Q159-R162 WeakPolarHBondContact O-CG 3.29Å; Q159-R162 PolarHBondContact O-N 2.87Å |
| 160 | N | 73.8 | Confident | 79.1 | Confident | 138 Ų | 138 | 119.6 Ų | 119.6 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77.7 | -20.6 | 172.8 | -66 | -23.4 | 0 | 0 | 0 | 112.7 | Q156 F157 R162 | Q156-N160 VanDerWaalsContact O-CB 3.3Å; Q156-N160 WeakPolarHBondContact O-CB 3.2Å; Q156-N160 PolarHBondContact O-N 3.26Å; Q156-N160 PolarHBondContact O-ND2 3.07Å; F157-N160 CarbonylContact O-C 3.56Å; F157-N160 PolarHBondContact O-N 3.09Å; N160-R162 VanDerWaalsContact C-N 3.26Å |
| 161 | Q | 66.5 | Low | 78.9 | Confident | 108 Ų | 108 | 121.1 Ų | 121.1 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | 14.7 | 172.4 | -156.7 | -177.8 | 29 | 0 | 0 | 112.4 | F157 Y158 Q159 C163 | F157-Q161 VanDerWaalsContact CE1-OE1 3.26Å; F157-Q161 WeakPolarHBondContact O-CB 3.13Å; F157-Q161 PolarHBondContact O-N 3.13Å; Y158-Q161 CarbonylContact O-C 3.58Å; Y158-Q161 PolarHBondContact O-N 3.39Å; Q159-Q161 VanDerWaalsContact C-N 3.35Å; Q161-C163 PolarHBondContact O-N 3.31Å; Q161-C163 VanDerWaalsContact O-N 3.09Å |
| 162 | R | 57.4 | Low | 78.9 | Confident | 204 Ų | 204 | 122 Ų | 122 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | trans | -52.9 | 120.9 | 160.7 | -81.4 | -177.6 | 173.4 | -164.7 | -1.7 | 107.6 | Y158 Q159 N160 | Y158-R162 PolarHBondContact O-N 2.74Å; Q159-R162 WeakPolarHBondContact O-CG 3.29Å; Q159-R162 PolarHBondContact O-N 2.87Å; N160-R162 VanDerWaalsContact C-N 3.26Å | ||
| 163 | C | 56.1 | Low | 79.1 | Confident | 111 Ų | 111 | 119.1 Ų | 119.1 | 75% | 0.75 | 60% | 0.597 | S | S | * | * | trans | -53.7 | 153.2 | -160.9 | -75.8 | 0 | 0 | 0 | 0 | 113.4 | Q161 E165 | Q161-C163 PolarHBondContact O-N 3.31Å; Q161-C163 VanDerWaalsContact O-N 3.09Å; C163-E165 VanDerWaalsContact C-N 3.35Å; C163-E165 PolarHBondContact O-N 3.29Å | ||
| 164 | C | 57.6 | Low | 79.4 | Confident | 127 Ų | 127 | 116.8 Ų | 116.8 | 86% | 0.858 | 59% | 0.588 | S | S | * | * | trans | -56.2 | 105.2 | 152.5 | -62.4 | 0 | 0 | 0 | 0 | 107.3 | S166 | C164-S166 PolarHBondContact O-N 3.45Š| ||
| 165 | E | 61.8 | Low | 79.7 | Confident | 158 Ų | 158 | 118.7 Ų | 118.7 | 74% | 0.738 | 59% | 0.594 | S | S | * | * | trans | -62.5 | 105.4 | 173 | -71.1 | 178.8 | 161.7 | 0 | 0 | 107.3 | C163 N167 | C163-E165 VanDerWaalsContact C-N 3.35Å; C163-E165 PolarHBondContact O-N 3.29Å; E165-N167 PolarHBondContact O-N 2.95Å; E165-N167 PolarHBondContact O-ND2 2.92Å | ||
| 166 | S | 65.3 | Low | 80.2 | Confident | 99 Ų | 99 | 114.2 Ų | 114.2 | 69% | 0.692 | 58% | 0.582 | S | S | * | * | trans | -72.3 | 79.9 | -180 | 56.3 | 0 | 0 | 0 | 0 | 108.5 | C164 L168 | C164-S166 PolarHBondContact O-N 3.45Å; S166-L168 PolarHBondContact O-N 3.15Å | ||
| 167 | N | 73.1 | Confident | 80.7 | Confident | 109 Ų | 109 | 114.8 Ų | 114.8 | 58% | 0.583 | 59% | 0.585 | S | S | * | * | trans | -69.5 | 80.3 | -178.1 | -78.5 | -48.6 | 0 | 0 | 0 | 110.3 | E165 P170 | E165-N167 PolarHBondContact O-N 2.95Å; E165-N167 PolarHBondContact O-ND2 2.92Å; N167-P170 VanDerWaalsContact O-CD 3.32Å; N167-P170 WeakPolarHBondContact O-CD 3.32Å | ||
| 168 | L | 84.8 | Confident | 81.3 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 46% | 0.461 | 57% | 0.573 | S | S | . | * | trans | -76.4 | -12.7 | 170.6 | -61.7 | 176.1 | 0 | 0 | 0 | 111.9 | S166 L171 F172 | S166-L168 PolarHBondContact O-N 3.15Å; L168-L171 HydrophobicContact CD2-CD1 4.08Å; L168-L171 WeakPolarHBondContact O-CB 3.4Å; L168-L171 PolarHBondContact O-N 3.41Å; L168-F172 HydrophobicContact CB-CD2 3.99Å; L168-F172 HydrophobicContact CB-CE2 3.66Å; L168-F172 HydrophobicContact CD1-CE2 4.27Å; L168-F172 WeakPolarHBondContact O-CD2 3.39Å; L168-F172 PolarHBondContact O-N 2.99Å; L168-F172 VanDerWaalsContact O-N 3.13Å | ||
| 169 | E | 88.9 | Confident | 82.1 | Confident | 139 Ų | 139 | 107.7 Ų | 107.7 | 65% | 0.65 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -51.1 | -46.4 | -178.5 | -173.1 | 170.5 | -167.3 | 0 | 0 | 113 | L171 F172 S173 | E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.07Å; E169-F172 PolarHBondContact O-N 3Å; E169-F172 VanDerWaalsContact O-N 3.16Å; E169-S173 WeakPolarHBondContact O-CB 3.41Å; E169-S173 PolarHBondContact O-N 3.13Å; E169-S173 PolarHBondContact O-OG 2.95Å |
| 170 | P | 91.4 | Very high | 83 | Confident | 90 Ų | 90 | 110.1 Ų | 110.1 | 58% | 0.584 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.2 | -30 | 176.8 | -22.9 | 35.5 | 0 | 0 | 0 | 114.6 | N167 G174 | N167-P170 VanDerWaalsContact O-CD 3.32Å; N167-P170 WeakPolarHBondContact O-CD 3.32Å; P170-G174 PolarHBondContact O-N 3.01Å |
| 171 | L | 93.1 | Very high | 84.2 | Confident | 126 Ų | 126 | 109.4 Ų | 109.4 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.2 | -43.1 | 175.6 | -65.5 | 171.7 | 0 | 0 | 0 | 110.7 | L168 E169 Y175 | L168-L171 HydrophobicContact CD2-CD1 4.08Å; L168-L171 WeakPolarHBondContact O-CB 3.4Å; L168-L171 PolarHBondContact O-N 3.41Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.07Å; L171-Y175 WeakPolarHBondContact O-CB 3.39Å; L171-Y175 PolarHBondContact O-N 3.25Å; L171-Y175 VanDerWaalsContact O-N 3.07Å |
| 172 | F | 94.4 | Very high | 85.7 | Confident | 129 Ų | 129 | 109.4 Ų | 109.4 | 57% | 0.566 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 174.8 | -67.2 | -59.7 | 0 | 0 | 0 | 111.7 | L168 E169 Y175 I176 | L168-F172 HydrophobicContact CB-CD2 3.99Å; L168-F172 HydrophobicContact CB-CE2 3.66Å; L168-F172 HydrophobicContact CD1-CE2 4.27Å; L168-F172 WeakPolarHBondContact O-CD2 3.39Å; L168-F172 PolarHBondContact O-N 2.99Å; L168-F172 VanDerWaalsContact O-N 3.13Å; E169-F172 PolarHBondContact O-N 3Å; E169-F172 VanDerWaalsContact O-N 3.16Å; F172-Y175 PolarHBondContact O-N 3.44Å; F172-I176 WeakPolarHBondContact O-CB 3.33Å; F172-I176 WeakPolarHBondContact O-CD1 3.46Å; F172-I176 WeakPolarHBondContact O-CG1 3.43Å; F172-I176 PolarHBondContact O-N 2.79Å |
| 173 | S | 95.6 | Very high | 87.6 | Confident | 49 Ų | 49 | 101.9 Ų | 101.9 | 34% | 0.343 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58 | -52.6 | 173.9 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | E169 Y175 I176 E177 | E169-S173 WeakPolarHBondContact O-CB 3.41Å; E169-S173 PolarHBondContact O-N 3.13Å; E169-S173 PolarHBondContact O-OG 2.95Å; S173-Y175 VanDerWaalsContact C-N 3.29Å; S173-Y175 PolarHBondContact O-N 2.79Å; S173-I176 PolarHBondContact O-N 2.64Å; S173-E177 WeakPolarHBondContact O-CG 3.33Å; S173-E177 PolarHBondContact O-N 3.11Å |
| 174 | G | 97.1 | Very high | 89.6 | Confident | 29 Ų | 29 | 102.1 Ų | 102.1 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -31.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P170 T178 | P170-G174 PolarHBondContact O-N 3.01Å; G174-T178 WeakPolarHBondContact O-CB 3.4Å; G174-T178 PolarHBondContact O-N 3.45Å; G174-T178 VanDerWaalsContact O-N 3.11Å; G174-T178 PolarHBondContact O-OG1 3.19Å |
| 175 | Y | 97.2 | Very high | 91.5 | Very high | 147 Ų | 147 | 99.9 Ų | 99.9 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.6 | -44.8 | 172.5 | -173.8 | -113.3 | 0 | 0 | 0 | 111.8 | L171 F172 S173 E177 T178 L179 | L171-Y175 WeakPolarHBondContact O-CB 3.39Å; L171-Y175 PolarHBondContact O-N 3.25Å; L171-Y175 VanDerWaalsContact O-N 3.07Å; F172-Y175 PolarHBondContact O-N 3.44Å; S173-Y175 VanDerWaalsContact C-N 3.29Å; S173-Y175 PolarHBondContact O-N 2.79Å; Y175-E177 PolarHBondContact O-N 3.09Å; Y175-T178 PolarHBondContact O-N 2.83Å; Y175-T178 VanDerWaalsContact O-N 3.11Å; Y175-L179 HydrophobicContact CD1-CD1 3.97Å; Y175-L179 HydrophobicContact CE1-CD1 3.51Å; Y175-L179 HydrophobicContact CE1-CG 4.2Å; Y175-L179 PolarHBondContact O-N 3.29Å |
| 176 | I | 97.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 97.1 Ų | 97.1 | 41% | 0.41 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.5 | -70.7 | 163.8 | 0 | 0 | 0 | 111.3 | F172 S173 T178 L179 R180 | F172-I176 WeakPolarHBondContact O-CB 3.33Å; F172-I176 WeakPolarHBondContact O-CD1 3.46Å; F172-I176 WeakPolarHBondContact O-CG1 3.43Å; F172-I176 PolarHBondContact O-N 2.79Å; S173-I176 PolarHBondContact O-N 2.64Å; I176-T178 VanDerWaalsContact C-N 3.27Å; I176-T178 PolarHBondContact O-N 3.33Å; I176-L179 PolarHBondContact O-N 3.33Å; I176-R180 WeakPolarHBondContact O-CB 3.48Å; I176-R180 VanDerWaalsContact O-CG 3.31Å; I176-R180 WeakPolarHBondContact O-CG 3.43Å; I176-R180 PolarHBondContact O-N 3.03Å |
| 177 | E | 97.9 | Very high | 94.8 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -31 | 174.1 | -74.4 | 174.9 | -174.9 | 0 | 0 | 112.8 | S173 Y175 R181 | S173-E177 WeakPolarHBondContact O-CG 3.33Å; S173-E177 PolarHBondContact O-N 3.11Å; Y175-E177 PolarHBondContact O-N 3.09Å; E177-R181 PolarHBondContact O-N 3.11Å; E177-R181 VanDerWaalsContact O-N 3.12Å; E177-R181 PolarHBondContact O-NE 3.47Å |
| 178 | T | 97.8 | Very high | 96 | Very high | 46 Ų | 46 | 97.1 Ų | 97.1 | 28% | 0.282 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.1 | -45.9 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | G174 Y175 I176 R180 R181 E182 | G174-T178 WeakPolarHBondContact O-CB 3.4Å; G174-T178 PolarHBondContact O-N 3.45Å; G174-T178 VanDerWaalsContact O-N 3.11Å; G174-T178 PolarHBondContact O-OG1 3.19Å; Y175-T178 PolarHBondContact O-N 2.83Å; Y175-T178 VanDerWaalsContact O-N 3.11Å; I176-T178 VanDerWaalsContact C-N 3.27Å; I176-T178 PolarHBondContact O-N 3.33Å; T178-R180 VanDerWaalsContact C-N 3.28Å; T178-R180 PolarHBondContact O-N 2.89Å; T178-R181 PolarHBondContact O-N 3.42Å; T178-R181 PolarHBondContact OG1-NH2 2.88Å; T178-E182 WeakPolarHBondContact O-CG 3.2Å; T178-E182 PolarHBondContact O-N 3.35Å |
| 179 | L | 97.9 | Very high | 96.6 | Very high | 77 Ų | 77 | 96.4 Ų | 96.4 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -34.7 | 172.7 | -69 | 177 | 0 | 0 | 0 | 112.9 | Y175 I176 E182 A183 | Y175-L179 HydrophobicContact CD1-CD1 3.97Å; Y175-L179 HydrophobicContact CE1-CD1 3.51Å; Y175-L179 HydrophobicContact CE1-CG 4.2Å; Y175-L179 PolarHBondContact O-N 3.29Å; I176-L179 PolarHBondContact O-N 3.33Å; L179-E182 PolarHBondContact O-N 2.81Å; L179-A183 WeakPolarHBondContact O-CB 3.4Å; L179-A183 PolarHBondContact O-N 2.85Å |
| 180 | R | 98.1 | Very high | 97.1 | Very high | 151 Ų | 151 | 93.3 Ų | 93.3 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -49.5 | 173.3 | -77.6 | 174.1 | -177.8 | 167.4 | 2.1 | 111.9 | I176 T178 E182 A183 E184 | I176-R180 WeakPolarHBondContact O-CB 3.48Å; I176-R180 VanDerWaalsContact O-CG 3.31Å; I176-R180 WeakPolarHBondContact O-CG 3.43Å; I176-R180 PolarHBondContact O-N 3.03Å; T178-R180 VanDerWaalsContact C-N 3.28Å; T178-R180 PolarHBondContact O-N 2.89Å; R180-E182 VanDerWaalsContact C-N 3.28Å; R180-E182 PolarHBondContact O-N 2.75Å; R180-A183 WeakPolarHBondContact O-CB 3.44Å; R180-A183 PolarHBondContact O-N 3.11Å; R180-A183 VanDerWaalsContact O-N 3.14Å; R180-E184 WeakPolarHBondContact O-CB 3.5Å; R180-E184 VanDerWaalsContact O-CG 3.29Å; R180-E184 WeakPolarHBondContact O-CG 3.37Å; R180-E184 PolarHBondContact O-N 3.26Å |
| 181 | R | 98.1 | Very high | 97.4 | Very high | 122 Ų | 122 | 91.1 Ų | 91.1 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 175.5 | -78.4 | -178.8 | -81.8 | 94.9 | -0.8 | 112.6 | E177 T178 C185 | E177-R181 PolarHBondContact O-N 3.11Å; E177-R181 VanDerWaalsContact O-N 3.12Å; E177-R181 PolarHBondContact O-NE 3.47Å; T178-R181 PolarHBondContact O-N 3.42Å; T178-R181 PolarHBondContact OG1-NH2 2.88Å; R181-C185 WeakPolarHBondContact O-CB 3.48Å; R181-C185 PolarHBondContact O-N 2.93Å; R181-C185 PolarHBondContact O-SG 2.84Å |
| 182 | E | 98.1 | Very high | 97.6 | Very high | 108 Ų | 108 | 90.4 Ų | 90.4 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 173.6 | -74.1 | 172.5 | -172.8 | 0 | 0 | 111.9 | T178 L179 R180 C185 V186 | T178-E182 WeakPolarHBondContact O-CG 3.2Å; T178-E182 PolarHBondContact O-N 3.35Å; L179-E182 PolarHBondContact O-N 2.81Å; R180-E182 VanDerWaalsContact C-N 3.28Å; R180-E182 PolarHBondContact O-N 2.75Å; E182-C185 PolarHBondContact O-N 3.06Å; E182-V186 WeakPolarHBondContact O-CG2 3.34Å; E182-V186 PolarHBondContact O-N 2.93Å |
| 183 | A | 97.9 | Very high | 97.8 | Very high | 47 Ų | 47 | 89 Ų | 89 | 39% | 0.388 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L179 R180 C185 V186 E187 | L179-A183 WeakPolarHBondContact O-CB 3.4Å; L179-A183 PolarHBondContact O-N 2.85Å; R180-A183 WeakPolarHBondContact O-CB 3.44Å; R180-A183 PolarHBondContact O-N 3.11Å; R180-A183 VanDerWaalsContact O-N 3.14Å; A183-C185 VanDerWaalsContact C-N 3.32Å; A183-C185 PolarHBondContact O-N 3.47Å; A183-V186 PolarHBondContact O-N 3.01Å; A183-V186 VanDerWaalsContact O-N 3.13Å; A183-E187 WeakPolarHBondContact O-CG 3.4Å; A183-E187 PolarHBondContact O-N 3.16Å |
| 184 | E | 98 | Very high | 97.9 | Very high | 116 Ų | 116 | 88.9 Ų | 88.9 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 176 | -71.4 | 160.6 | -158.8 | 0 | 0 | 111.8 | R180 A188 | R180-E184 WeakPolarHBondContact O-CB 3.5Å; R180-E184 VanDerWaalsContact O-CG 3.29Å; R180-E184 WeakPolarHBondContact O-CG 3.37Å; R180-E184 PolarHBondContact O-N 3.26Å; E184-A188 WeakPolarHBondContact O-CB 3.23Å; E184-A188 PolarHBondContact O-N 3.28Å |
| 185 | C | 98.2 | Very high | 98 | Very high | 80 Ų | 80 | 90.8 Ų | 90.8 | 54% | 0.541 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 173.3 | -74 | 0 | 0 | 0 | 0 | 112.6 | R181 E182 A183 A188 D189 | R181-C185 WeakPolarHBondContact O-CB 3.48Å; R181-C185 PolarHBondContact O-N 2.93Å; R181-C185 PolarHBondContact O-SG 2.84Å; E182-C185 PolarHBondContact O-N 3.06Å; A183-C185 VanDerWaalsContact C-N 3.32Å; A183-C185 PolarHBondContact O-N 3.47Å; C185-A188 PolarHBondContact O-N 3Å; C185-D189 WeakPolarHBondContact O-CB 3.38Å; C185-D189 PolarHBondContact O-N 3.29Å |
| 186 | V | 98.2 | Very high | 98 | Very high | 99 Ų | 99 | 88.4 Ų | 88.4 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.8 | -35.5 | 178.4 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | E182 A183 S190 | E182-V186 WeakPolarHBondContact O-CG2 3.34Å; E182-V186 PolarHBondContact O-N 2.93Å; A183-V186 PolarHBondContact O-N 3.01Å; A183-V186 VanDerWaalsContact O-N 3.13Å; V186-S190 WeakPolarHBondContact O-CB 3.44Å; V186-S190 PolarHBondContact O-N 3.15Å |
| 187 | E | 98.1 | Very high | 98.1 | Very high | 144 Ų | 144 | 89.6 Ų | 89.6 | 67% | 0.673 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 173.2 | -74.3 | -178.9 | -176.5 | 0 | 0 | 111.7 | A183 S190 G191 | A183-E187 WeakPolarHBondContact O-CG 3.4Å; A183-E187 PolarHBondContact O-N 3.16Å; E187-S190 PolarHBondContact O-N 2.88Å; E187-G191 PolarHBondContact O-N 3.1Å |
| 188 | A | 98.1 | Very high | 98.1 | Very high | 64 Ų | 64 | 88.8 Ų | 88.8 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E184 C185 G191 R192 | E184-A188 WeakPolarHBondContact O-CB 3.23Å; E184-A188 PolarHBondContact O-N 3.28Å; C185-A188 PolarHBondContact O-N 3Å; A188-G191 PolarHBondContact O-N 2.99Å; A188-R192 PolarHBondContact O-N 3.27Å |
| 189 | D | 98.3 | Very high | 98.1 | Very high | 73 Ų | 73 | 91.9 Ų | 91.9 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 173.9 | -84.3 | -6.5 | 0 | 0 | 0 | 111.9 | C185 R192 L193 | C185-D189 WeakPolarHBondContact O-CB 3.38Å; C185-D189 PolarHBondContact O-N 3.29Å; D189-R192 VanDerWaalsContact CG-NH2 3.33Å; D189-R192 PolarHBondContact O-N 3.36Å; D189-R192 IonicContact OD1-CZ 2.63Å; D189-R192 IonicContact OD1-NH1 3.65Å; D189-R192 PolarHBondContact OD1-NH1 2.92Å; D189-R192 IonicContact OD1-NH2 3.88Å; D189-R192 PolarHBondContact OD1-NH2 2.96Å; D189-R192 IonicContact OD2-NH2 3.17Å; D189-L193 WeakPolarHBondContact O-CB 3.46Å; D189-L193 VanDerWaalsContact O-CG 3.32Å; D189-L193 WeakPolarHBondContact O-CG 3.47Å; D189-L193 PolarHBondContact O-N 3.35Å |
| 190 | S | 98.1 | Very high | 98.1 | Very high | 75 Ų | 75 | 92.7 Ų | 92.7 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 174.7 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | V186 E187 R192 L193 A194 | V186-S190 WeakPolarHBondContact O-CB 3.44Å; V186-S190 PolarHBondContact O-N 3.15Å; E187-S190 PolarHBondContact O-N 2.88Å; S190-R192 PolarHBondContact O-N 3.28Å; S190-L193 PolarHBondContact O-N 2.93Å; S190-A194 WeakPolarHBondContact O-CB 3.48Å; S190-A194 PolarHBondContact O-N 3Å |
| 191 | G | 97.7 | Very high | 98.1 | Very high | 44 Ų | 44 | 90.2 Ų | 90.2 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E187 A188 S195 | E187-G191 PolarHBondContact O-N 3.1Å; A188-G191 PolarHBondContact O-N 2.99Å; G191-S195 PolarHBondContact O-N 3.42Å; G191-S195 VanDerWaalsContact O-N 3.11Å |
| 192 | R | 98.4 | Very high | 98.2 | Very high | 110 Ų | 110 | 90.7 Ų | 90.7 | 42% | 0.415 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -51.9 | 173.8 | -177.4 | -178.5 | 63.2 | -100.6 | -0.4 | 111.3 | A188 D189 S190 A194 S195 E196 | A188-R192 PolarHBondContact O-N 3.27Å; D189-R192 VanDerWaalsContact CG-NH2 3.33Å; D189-R192 PolarHBondContact O-N 3.36Å; D189-R192 IonicContact OD1-CZ 2.63Å; D189-R192 IonicContact OD1-NH1 3.65Å; D189-R192 PolarHBondContact OD1-NH1 2.92Å; D189-R192 IonicContact OD1-NH2 3.88Å; D189-R192 PolarHBondContact OD1-NH2 2.96Å; D189-R192 IonicContact OD2-NH2 3.17Å; S190-R192 PolarHBondContact O-N 3.28Å; R192-A194 VanDerWaalsContact C-N 3.27Å; R192-A194 PolarHBondContact O-N 2.98Å; R192-S195 WeakPolarHBondContact O-CA 3.43Å; R192-S195 WeakPolarHBondContact O-CB 3.46Å; R192-S195 PolarHBondContact O-N 3.24Å; R192-S195 PolarHBondContact O-OG 3.12Å; R192-E196 WeakPolarHBondContact CD-OE1 3.41Å; R192-E196 HydrophobicContact CG-CG 4.43Å; R192-E196 VanDerWaalsContact CG-OE1 3.29Å; R192-E196 WeakPolarHBondContact CG-OE1 3.29Å; R192-E196 IonicContact NE-OE1 2.75Å; R192-E196 PolarHBondContact O-N 3.5Å |
| 193 | L | 98.1 | Very high | 98.2 | Very high | 100 Ų | 100 | 88.6 Ų | 88.6 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | -179.5 | -72 | 169.2 | 0 | 0 | 0 | 112.4 | D189 S190 E196 L197 | D189-L193 WeakPolarHBondContact O-CB 3.46Å; D189-L193 VanDerWaalsContact O-CG 3.32Å; D189-L193 WeakPolarHBondContact O-CG 3.47Å; D189-L193 PolarHBondContact O-N 3.35Å; S190-L193 PolarHBondContact O-N 2.93Å; L193-E196 PolarHBondContact O-N 3.45Å; L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.43Å; L193-L197 PolarHBondContact O-N 3.39Å |
| 194 | A | 98.2 | Very high | 98.2 | Very high | 47 Ų | 47 | 91.6 Ų | 91.6 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | S190 R192 L197 N198 | S190-A194 WeakPolarHBondContact O-CB 3.48Å; S190-A194 PolarHBondContact O-N 3Å; R192-A194 VanDerWaalsContact C-N 3.27Å; R192-A194 PolarHBondContact O-N 2.98Å; A194-L197 PolarHBondContact O-N 2.88Å; A194-N198 WeakPolarHBondContact O-CB 3.21Å; A194-N198 PolarHBondContact O-N 3.46Å; A194-N198 PolarHBondContact O-ND2 3.46Å; A194-N198 PolarHBondContact O-OD1 2.74Å |
| 195 | S | 98 | Very high | 98.2 | Very high | 68 Ų | 68 | 91 Ų | 91 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 175.3 | 74.8 | 0 | 0 | 0 | 0 | 113 | G191 R192 H199 | G191-S195 PolarHBondContact O-N 3.42Å; G191-S195 VanDerWaalsContact O-N 3.11Å; R192-S195 WeakPolarHBondContact O-CA 3.43Å; R192-S195 WeakPolarHBondContact O-CB 3.46Å; R192-S195 PolarHBondContact O-N 3.24Å; R192-S195 PolarHBondContact O-OG 3.12Å; S195-H199 WeakPolarHBondContact O-CB 3.12Å; S195-H199 PolarHBondContact O-N 3.1Å |
| 196 | E | 98.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 88.6 Ų | 88.6 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.4 | -70.4 | 174 | -164.3 | 0 | 0 | 111.2 | R192 L193 H199 V200 | R192-E196 WeakPolarHBondContact CD-OE1 3.41Å; R192-E196 HydrophobicContact CG-CG 4.43Å; R192-E196 VanDerWaalsContact CG-OE1 3.29Å; R192-E196 WeakPolarHBondContact CG-OE1 3.29Å; R192-E196 IonicContact NE-OE1 2.75Å; R192-E196 PolarHBondContact O-N 3.5Å; L193-E196 PolarHBondContact O-N 3.45Å; E196-H199 PolarHBondContact O-N 3.09Å; E196-V200 WeakPolarHBondContact O-CG2 3.33Å; E196-V200 PolarHBondContact O-N 2.91Å |
| 197 | L | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 91.4 Ų | 91.4 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -48.5 | 175.5 | -175.9 | 155.5 | 0 | 0 | 0 | 111.5 | L193 A194 H199 V200 Q201 | L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.43Å; L193-L197 PolarHBondContact O-N 3.39Å; A194-L197 PolarHBondContact O-N 2.88Å; L197-H199 VanDerWaalsContact C-N 3.35Å; L197-H199 PolarHBondContact O-N 3.44Å; L197-V200 PolarHBondContact O-N 2.63Å; L197-Q201 WeakPolarHBondContact O-CB 3.46Å; L197-Q201 PolarHBondContact O-N 2.69Å |
| 198 | N | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 90.1 Ų | 90.1 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 177.5 | -70.6 | -13.6 | 0 | 0 | 0 | 111.2 | A194 V200 Q201 E202 | A194-N198 WeakPolarHBondContact O-CB 3.21Å; A194-N198 PolarHBondContact O-N 3.46Å; A194-N198 PolarHBondContact O-ND2 3.46Å; A194-N198 PolarHBondContact O-OD1 2.74Å; N198-V200 PolarHBondContact O-N 2.75Å; N198-Q201 PolarHBondContact O-N 3.48Å; N198-E202 WeakPolarHBondContact O-CG 3.4Å; N198-E202 PolarHBondContact O-N 2.89Å |
| 199 | H | 98.4 | Very high | 98.2 | Very high | 112 Ų | 112 | 92.9 Ų | 92.9 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 178.2 | -179.6 | 53.9 | 0 | 0 | 0 | 112.7 | S195 E196 L197 Q201 E202 V203 | S195-H199 WeakPolarHBondContact O-CB 3.12Å; S195-H199 PolarHBondContact O-N 3.1Å; E196-H199 PolarHBondContact O-N 3.09Å; L197-H199 VanDerWaalsContact C-N 3.35Å; L197-H199 PolarHBondContact O-N 3.44Å; H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 PolarHBondContact O-N 2.93Å; H199-E202 PolarHBondContact O-N 3.35Å; H199-V203 VanDerWaalsContact O-CG2 3.31Å; H199-V203 WeakPolarHBondContact O-CG2 3.21Å; H199-V203 PolarHBondContact O-N 3.42Å |
| 200 | V | 98.3 | Very high | 98.3 | Very high | 94 Ų | 94 | 95.3 Ų | 95.3 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -36.4 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | E196 L197 N198 L204 | E196-V200 WeakPolarHBondContact O-CG2 3.33Å; E196-V200 PolarHBondContact O-N 2.91Å; L197-V200 PolarHBondContact O-N 2.63Å; N198-V200 PolarHBondContact O-N 2.75Å; V200-L204 VanDerWaalsContact O-CB 3.3Å; V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 PolarHBondContact O-N 3.14Å |
| 201 | Q | 98.3 | Very high | 98.3 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -47.2 | 175.2 | -177.8 | 171.1 | -21.7 | 0 | 0 | 112.1 | L197 N198 H199 V203 L204 E205 | L197-Q201 WeakPolarHBondContact O-CB 3.46Å; L197-Q201 PolarHBondContact O-N 2.69Å; N198-Q201 PolarHBondContact O-N 3.48Å; H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 PolarHBondContact O-N 2.93Å; Q201-V203 VanDerWaalsContact C-N 3.29Å; Q201-V203 PolarHBondContact O-N 3.39Å; Q201-L204 PolarHBondContact O-N 3.37Å; Q201-L204 VanDerWaalsContact O-N 3.14Å; Q201-E205 HydrophobicContact CG-CG 4.34Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.49Å; Q201-E205 PolarHBondContact NE2-OE1 2.83Å; Q201-E205 WeakPolarHBondContact O-CB 3.43Å; Q201-E205 WeakPolarHBondContact O-CG 3.29Å; Q201-E205 PolarHBondContact O-N 3Å |
| 202 | E | 98.5 | Very high | 98.2 | Very high | 132 Ų | 132 | 102.3 Ų | 102.3 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.1 | -44.3 | 174.4 | -73.4 | 173.6 | 177.2 | 0 | 0 | 111.8 | N198 H199 G206 | N198-E202 WeakPolarHBondContact O-CG 3.4Å; N198-E202 PolarHBondContact O-N 2.89Å; H199-E202 PolarHBondContact O-N 3.35Å; E202-G206 PolarHBondContact O-N 2.85Å |
| 203 | V | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 101.2 Ų | 101.2 | 39% | 0.394 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177.4 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | H199 Q201 G206 Y207 | H199-V203 VanDerWaalsContact O-CG2 3.31Å; H199-V203 WeakPolarHBondContact O-CG2 3.21Å; H199-V203 PolarHBondContact O-N 3.42Å; Q201-V203 VanDerWaalsContact C-N 3.29Å; Q201-V203 PolarHBondContact O-N 3.39Å; V203-G206 PolarHBondContact O-N 3.02Å; V203-Y207 HydrophobicContact CG1-CD2 3.8Å; V203-Y207 HydrophobicContact CG1-CE2 3.53Å; V203-Y207 WeakPolarHBondContact O-CD2 3.31Å; V203-Y207 PolarHBondContact O-N 2.84Å |
| 204 | L | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 102.6 Ų | 102.6 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67 | -41.3 | 177.6 | -178.5 | 145.4 | 0 | 0 | 0 | 112.3 | V200 Q201 G206 Y207 K208 | V200-L204 VanDerWaalsContact O-CB 3.3Å; V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 PolarHBondContact O-N 3.14Å; Q201-L204 PolarHBondContact O-N 3.37Å; Q201-L204 VanDerWaalsContact O-N 3.14Å; L204-G206 VanDerWaalsContact C-N 3.33Å; L204-Y207 PolarHBondContact O-N 3.38Å; L204-K208 WeakPolarHBondContact O-CB 3.49Å; L204-K208 PolarHBondContact O-N 3.44Å |
| 205 | E | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 173.6 | -72.1 | 179.9 | -164.4 | 0 | 0 | 111.2 | Q201 Y207 K208 K209 | Q201-E205 HydrophobicContact CG-CG 4.34Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.49Å; Q201-E205 PolarHBondContact NE2-OE1 2.83Å; Q201-E205 WeakPolarHBondContact O-CB 3.43Å; Q201-E205 WeakPolarHBondContact O-CG 3.29Å; Q201-E205 PolarHBondContact O-N 3Å; E205-Y207 PolarHBondContact O-N 3.45Å; E205-K208 PolarHBondContact O-N 3.22Å; E205-K209 WeakPolarHBondContact O-CB 3.34Å; E205-K209 PolarHBondContact O-N 3.13Å |
| 206 | G | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 103.2 Ų | 103.2 | 32% | 0.32 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E202 V203 L204 K210 | E202-G206 PolarHBondContact O-N 2.85Å; V203-G206 PolarHBondContact O-N 3.02Å; L204-G206 VanDerWaalsContact C-N 3.33Å; G206-K210 WeakPolarHBondContact O-CG 3.44Å; G206-K210 PolarHBondContact O-N 3.24Å |
| 207 | Y | 97.9 | Very high | 98.1 | Very high | 158 Ų | 158 | 103.6 Ų | 103.6 | 62% | 0.62 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72 | -40.6 | 172.6 | -79.7 | -62 | 0 | 0 | 0 | 112.6 | V203 L204 E205 K209 K210 Y211 | V203-Y207 HydrophobicContact CG1-CD2 3.8Å; V203-Y207 HydrophobicContact CG1-CE2 3.53Å; V203-Y207 WeakPolarHBondContact O-CD2 3.31Å; V203-Y207 PolarHBondContact O-N 2.84Å; L204-Y207 PolarHBondContact O-N 3.38Å; E205-Y207 PolarHBondContact O-N 3.45Å; Y207-K209 PolarHBondContact O-N 2.83Å; Y207-K210 PolarHBondContact O-N 3.23Å; Y207-Y211 PolarHBondContact O-N 2.95Å |
| 208 | K | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 106.3 Ų | 106.3 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 175 | 178.3 | -172.5 | 163.6 | -171 | 0 | 111 | L204 E205 K210 Y211 E212 | L204-K208 WeakPolarHBondContact O-CB 3.49Å; L204-K208 PolarHBondContact O-N 3.44Å; E205-K208 PolarHBondContact O-N 3.22Å; K208-K210 PolarHBondContact O-N 2.89Å; K208-Y211 WeakPolarHBondContact O-CB 3.35Å; K208-Y211 PolarHBondContact O-N 2.98Å; K208-Y211 VanDerWaalsContact O-N 3.14Å; K208-E212 WeakPolarHBondContact CE-OE1 3.34Å; K208-E212 IonicContact NZ-OE1 3.75Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 3.41Å |
| 209 | K | 98.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 104.1 Ų | 104.1 | 53% | 0.53 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 177.9 | -175.3 | 173.3 | -175 | -81.9 | 0 | 112 | E205 Y207 Y211 E212 E213 | E205-K209 WeakPolarHBondContact O-CB 3.34Å; E205-K209 PolarHBondContact O-N 3.13Å; Y207-K209 PolarHBondContact O-N 2.83Å; K209-Y211 VanDerWaalsContact C-N 3.31Å; K209-Y211 PolarHBondContact O-N 3.35Å; K209-E212 PolarHBondContact O-N 2.91Å; K209-E213 IonicContact NZ-OE1 2.71Å; K209-E213 PolarHBondContact NZ-OE1 2.68Å; K209-E213 WeakPolarHBondContact O-CB 3.38Å; K209-E213 VanDerWaalsContact O-CG 3.3Å; K209-E213 WeakPolarHBondContact O-CG 3.29Å; K209-E213 PolarHBondContact O-N 2.92Å |
| 210 | K | 98.5 | Very high | 97.8 | Very high | 123 Ų | 123 | 102.3 Ų | 102.3 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 175.5 | -71.9 | 169.9 | -176.7 | 174.6 | 0 | 112.7 | G206 Y207 K208 E213 E214 | G206-K210 WeakPolarHBondContact O-CG 3.44Å; G206-K210 PolarHBondContact O-N 3.24Å; Y207-K210 PolarHBondContact O-N 3.23Å; K208-K210 PolarHBondContact O-N 2.89Å; K210-E213 PolarHBondContact O-N 3.35Å; K210-E214 WeakPolarHBondContact O-CB 3.49Å; K210-E214 WeakPolarHBondContact O-CG 3.47Å; K210-E214 PolarHBondContact O-N 2.99Å |
| 211 | Y | 97.9 | Very high | 97.7 | Very high | 164 Ų | 164 | 100.3 Ų | 100.3 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -41.1 | 175.1 | 176.7 | -93.3 | 0 | 0 | 0 | 111.9 | Y207 K208 K209 E214 V215 | Y207-Y211 PolarHBondContact O-N 2.95Å; K208-Y211 WeakPolarHBondContact O-CB 3.35Å; K208-Y211 PolarHBondContact O-N 2.98Å; K208-Y211 VanDerWaalsContact O-N 3.14Å; K209-Y211 VanDerWaalsContact C-N 3.31Å; K209-Y211 PolarHBondContact O-N 3.35Å; Y211-E214 PolarHBondContact O-N 3.32Å; Y211-V215 HydrophobicContact CD1-CG2 4.22Å; Y211-V215 HydrophobicContact CE1-CG2 3.77Å; Y211-V215 HydrophobicContact CE2-CG2 4.17Å; Y211-V215 WeakPolarHBondContact O-CB 3.43Å; Y211-V215 VanDerWaalsContact O-CG2 3.27Å; Y211-V215 WeakPolarHBondContact O-CG2 3.32Å; Y211-V215 PolarHBondContact O-N 2.95Å |
| 212 | E | 97.5 | Very high | 97.6 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 174.8 | -70.1 | 170.2 | 167.3 | 0 | 0 | 111.7 | K208 K209 A216 | K208-E212 WeakPolarHBondContact CE-OE1 3.34Å; K208-E212 IonicContact NZ-OE1 3.75Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 3.41Å; K209-E212 PolarHBondContact O-N 2.91Å; E212-A216 WeakPolarHBondContact O-CB 3.45Å; E212-A216 PolarHBondContact O-N 3.47Å |
| 213 | E | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 99.1 Ų | 99.1 | 41% | 0.407 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 172.5 | -72.5 | 167.2 | 168.5 | 0 | 0 | 112.2 | K209 K210 V215 A216 L217 | K209-E213 IonicContact NZ-OE1 2.71Å; K209-E213 PolarHBondContact NZ-OE1 2.68Å; K209-E213 WeakPolarHBondContact O-CB 3.38Å; K209-E213 VanDerWaalsContact O-CG 3.3Å; K209-E213 WeakPolarHBondContact O-CG 3.29Å; K209-E213 PolarHBondContact O-N 2.92Å; K210-E213 PolarHBondContact O-N 3.35Å; E213-V215 PolarHBondContact O-N 2.99Å; E213-A216 PolarHBondContact O-N 3.33Å; E213-L217 WeakPolarHBondContact O-CG 3.2Å; E213-L217 PolarHBondContact O-N 2.9Å |
| 214 | E | 97.8 | Very high | 97.5 | Very high | 129 Ų | 129 | 102.5 Ų | 102.5 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 176.2 | -77.9 | -70 | 159.8 | 0 | 0 | 112.8 | K210 Y211 A216 L217 R218 | K210-E214 WeakPolarHBondContact O-CB 3.49Å; K210-E214 WeakPolarHBondContact O-CG 3.47Å; K210-E214 PolarHBondContact O-N 2.99Å; Y211-E214 PolarHBondContact O-N 3.32Å; E214-A216 VanDerWaalsContact C-N 3.35Å; E214-L217 PolarHBondContact O-N 3.41Å; E214-R218 VanDerWaalsContact O-CB 3.24Å; E214-R218 WeakPolarHBondContact O-CB 3.46Å; E214-R218 PolarHBondContact O-N 2.87Å |
| 215 | V | 97.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 103.9 Ų | 103.9 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 174.3 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | Y211 E213 A219 | Y211-V215 HydrophobicContact CD1-CG2 4.22Å; Y211-V215 HydrophobicContact CE1-CG2 3.77Å; Y211-V215 HydrophobicContact CE2-CG2 4.17Å; Y211-V215 WeakPolarHBondContact O-CB 3.43Å; Y211-V215 VanDerWaalsContact O-CG2 3.27Å; Y211-V215 WeakPolarHBondContact O-CG2 3.32Å; Y211-V215 PolarHBondContact O-N 2.95Å; E213-V215 PolarHBondContact O-N 2.99Å; V215-A219 WeakPolarHBondContact O-CB 3.32Å; V215-A219 PolarHBondContact O-N 3.33Å |
| 216 | A | 96.6 | Very high | 97.5 | Very high | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | E212 E213 E214 R218 A219 T220 | E212-A216 WeakPolarHBondContact O-CB 3.45Å; E212-A216 PolarHBondContact O-N 3.47Å; E213-A216 PolarHBondContact O-N 3.33Å; E214-A216 VanDerWaalsContact C-N 3.35Å; A216-R218 VanDerWaalsContact C-N 3.34Å; A216-R218 PolarHBondContact O-N 3.32Å; A216-A219 PolarHBondContact O-N 3.46Å; A216-T220 PolarHBondContact O-N 3.16Å; A216-T220 PolarHBondContact O-OG1 3.44Å |
| 217 | L | 97.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 104.6 Ų | 104.6 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.6 | -72.3 | 172 | 0 | 0 | 0 | 112.2 | E213 E214 T220 A221 | E213-L217 WeakPolarHBondContact O-CG 3.2Å; E213-L217 PolarHBondContact O-N 2.9Å; E214-L217 PolarHBondContact O-N 3.41Å; L217-T220 WeakPolarHBondContact CA-OG1 3.39Å; L217-T220 PolarHBondContact O-N 3.35Å; L217-T220 PolarHBondContact O-OG1 2.91Å; L217-A221 WeakPolarHBondContact O-CB 3.4Å; L217-A221 PolarHBondContact O-N 2.89Å |
| 218 | R | 97.9 | Very high | 97.5 | Very high | 164 Ų | 164 | 102.3 Ų | 102.3 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -47.4 | 172.3 | -176.5 | -174.8 | 178.6 | 96.7 | 17.1 | 111 | E214 A216 T220 A221 E222 | E214-R218 VanDerWaalsContact O-CB 3.24Å; E214-R218 WeakPolarHBondContact O-CB 3.46Å; E214-R218 PolarHBondContact O-N 2.87Å; A216-R218 VanDerWaalsContact C-N 3.34Å; A216-R218 PolarHBondContact O-N 3.32Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 3Å; R218-A221 PolarHBondContact O-N 2.82Å; R218-E222 HydrophobicContact CG-CG 4.33Å; R218-E222 IonicContact CZ-OE1 2.69Å; R218-E222 IonicContact NE-OE1 2.66Å; R218-E222 PolarHBondContact NE-OE1 2.91Å; R218-E222 IonicContact NH2-OE1 3.14Å; R218-E222 PolarHBondContact NH2-OE1 2.75Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 WeakPolarHBondContact O-CG 3.47Å; R218-E222 PolarHBondContact O-N 2.96Å |
| 219 | A | 95.9 | Very high | 97.5 | Very high | 43 Ų | 43 | 102.4 Ų | 102.4 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V215 A216 N223 | V215-A219 WeakPolarHBondContact O-CB 3.32Å; V215-A219 PolarHBondContact O-N 3.33Å; A216-A219 PolarHBondContact O-N 3.46Å; A219-N223 PolarHBondContact O-N 3.48Å; A219-N223 VanDerWaalsContact O-N 3.12Å; A219-N223 PolarHBondContact O-ND2 3.35Å |
| 220 | T | 96.3 | Very high | 97.5 | Very high | 74 Ų | 74 | 102.4 Ų | 102.4 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 173 | 46 | 0 | 0 | 0 | 0 | 111.8 | A216 L217 R218 E222 N223 E224 | A216-T220 PolarHBondContact O-N 3.16Å; A216-T220 PolarHBondContact O-OG1 3.44Å; L217-T220 WeakPolarHBondContact CA-OG1 3.39Å; L217-T220 PolarHBondContact O-N 3.35Å; L217-T220 PolarHBondContact O-OG1 2.91Å; R218-T220 VanDerWaalsContact C-N 3.32Å; R218-T220 PolarHBondContact O-N 3Å; T220-E222 PolarHBondContact O-N 3.11Å; T220-N223 PolarHBondContact O-N 3.49Å; T220-E224 WeakPolarHBondContact O-CG 3.41Å; T220-E224 PolarHBondContact O-N 2.89Å |
| 221 | A | 96 | Very high | 97.5 | Very high | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L217 R218 E224 F225 | L217-A221 WeakPolarHBondContact O-CB 3.4Å; L217-A221 PolarHBondContact O-N 2.89Å; R218-A221 PolarHBondContact O-N 2.82Å; A221-E224 PolarHBondContact O-N 2.99Å; A221-F225 WeakPolarHBondContact O-CB 3.37Å; A221-F225 PolarHBondContact O-N 3.04Å |
| 222 | E | 96.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 96.4 Ų | 96.4 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 174.2 | -74.7 | 179.6 | 165.5 | 0 | 0 | 111.9 | R218 T220 V226 | R218-E222 HydrophobicContact CG-CG 4.33Å; R218-E222 IonicContact CZ-OE1 2.69Å; R218-E222 IonicContact NE-OE1 2.66Å; R218-E222 PolarHBondContact NE-OE1 2.91Å; R218-E222 IonicContact NH2-OE1 3.14Å; R218-E222 PolarHBondContact NH2-OE1 2.75Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 WeakPolarHBondContact O-CG 3.47Å; R218-E222 PolarHBondContact O-N 2.96Å; T220-E222 PolarHBondContact O-N 3.11Å; E222-V226 WeakPolarHBondContact O-CG2 3.28Å; E222-V226 PolarHBondContact O-N 3.49Å; E222-V226 VanDerWaalsContact O-N 3.09Å |
| 223 | N | 96.9 | Very high | 97.6 | Very high | 109 Ų | 109 | 95.1 Ų | 95.1 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67 | -44.8 | 172.9 | -80.6 | -66.6 | 0 | 0 | 0 | 112.1 | A219 T220 F225 V226 V227 | A219-N223 PolarHBondContact O-N 3.48Å; A219-N223 VanDerWaalsContact O-N 3.12Å; A219-N223 PolarHBondContact O-ND2 3.35Å; T220-N223 PolarHBondContact O-N 3.49Å; N223-F225 VanDerWaalsContact C-N 3.34Å; N223-F225 PolarHBondContact O-N 3.2Å; N223-V226 PolarHBondContact O-N 3.42Å; N223-V227 PolarHBondContact O-N 3.22Å |
| 224 | E | 98.1 | Very high | 97.6 | Very high | 137 Ų | 137 | 93.4 Ų | 93.4 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.3 | -43.4 | 174.9 | -74.3 | 175.2 | -174.6 | 0 | 0 | 111.7 | T220 A221 V226 V227 L228 | T220-E224 WeakPolarHBondContact O-CG 3.41Å; T220-E224 PolarHBondContact O-N 2.89Å; A221-E224 PolarHBondContact O-N 2.99Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 2.98Å; E224-V227 PolarHBondContact O-N 2.98Å; E224-V227 VanDerWaalsContact O-N 3.16Å; E224-L228 WeakPolarHBondContact O-CB 3.4Å; E224-L228 PolarHBondContact O-N 3.13Å |
| 225 | F | 97.9 | Very high | 97.6 | Very high | 139 Ų | 139 | 89.9 Ų | 89.9 | 61% | 0.61 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 174.8 | 178.4 | -99.6 | 0 | 0 | 0 | 112.6 | A221 N223 V227 L228 K229 | A221-F225 WeakPolarHBondContact O-CB 3.37Å; A221-F225 PolarHBondContact O-N 3.04Å; N223-F225 VanDerWaalsContact C-N 3.34Å; N223-F225 PolarHBondContact O-N 3.2Å; F225-V227 VanDerWaalsContact C-N 3.35Å; F225-L228 PolarHBondContact O-N 3.38Å; F225-K229 WeakPolarHBondContact O-CB 3.46Å; F225-K229 PolarHBondContact O-N 3.47Å |
| 226 | V | 98.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 93.9 Ų | 93.9 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.2 | -31.6 | 175.4 | 167.4 | 0 | 0 | 0 | 0 | 112.3 | E222 N223 E224 K230 | E222-V226 WeakPolarHBondContact O-CG2 3.28Å; E222-V226 PolarHBondContact O-N 3.49Å; E222-V226 VanDerWaalsContact O-N 3.09Å; N223-V226 PolarHBondContact O-N 3.42Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 2.98Å; V226-K230 WeakPolarHBondContact O-CD 3.34Å; V226-K230 WeakPolarHBondContact O-CG 3.41Å; V226-K230 PolarHBondContact O-N 3.36Å |
| 227 | V | 97.9 | Very high | 97.7 | Very high | 76 Ų | 76 | 96.3 Ų | 96.3 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -52.6 | 171.4 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | N223 E224 F225 K229 K230 D231 | N223-V227 PolarHBondContact O-N 3.22Å; E224-V227 PolarHBondContact O-N 2.98Å; E224-V227 VanDerWaalsContact O-N 3.16Å; F225-V227 VanDerWaalsContact C-N 3.35Å; V227-K229 PolarHBondContact O-N 2.98Å; V227-K230 WeakPolarHBondContact O-CA 3.31Å; V227-K230 WeakPolarHBondContact O-CB 3.43Å; V227-K230 PolarHBondContact O-N 3.46Å; V227-D231 PolarHBondContact O-N 3.08Å |
| 228 | L | 98.1 | Very high | 97.8 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.4 | -38.7 | 179.7 | -170.2 | 74.5 | 0 | 0 | 0 | 111.9 | E224 F225 D231 V232 | E224-L228 WeakPolarHBondContact O-CB 3.4Å; E224-L228 PolarHBondContact O-N 3.13Å; F225-L228 PolarHBondContact O-N 3.38Å; L228-D231 PolarHBondContact O-N 2.92Å; L228-V232 WeakPolarHBondContact O-CB 3.5Å; L228-V232 WeakPolarHBondContact O-CG2 3.36Å; L228-V232 PolarHBondContact O-N 3.05Å |
| 229 | K | 98.4 | Very high | 97.8 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 173.8 | -175.6 | -179.7 | 174.7 | -175 | 0 | 112.2 | F225 V227 D231 V232 D233 | F225-K229 WeakPolarHBondContact O-CB 3.46Å; F225-K229 PolarHBondContact O-N 3.47Å; V227-K229 PolarHBondContact O-N 2.98Å; K229-D231 VanDerWaalsContact C-N 3.3Å; K229-D231 PolarHBondContact O-N 2.89Å; K229-V232 PolarHBondContact O-N 3.43Å; K229-D233 WeakPolarHBondContact O-CB 3.41Å; K229-D233 VanDerWaalsContact O-CG 3.24Å; K229-D233 PolarHBondContact O-N 3Å |
| 230 | K | 98.4 | Very high | 97.9 | Very high | 121 Ų | 121 | 96.3 Ų | 96.3 | 53% | 0.526 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 177.1 | -67.8 | 164.7 | -174.1 | 172.8 | 0 | 111.6 | V226 V227 D233 C234 | V226-K230 WeakPolarHBondContact O-CD 3.34Å; V226-K230 WeakPolarHBondContact O-CG 3.41Å; V226-K230 PolarHBondContact O-N 3.36Å; V227-K230 WeakPolarHBondContact O-CA 3.31Å; V227-K230 WeakPolarHBondContact O-CB 3.43Å; V227-K230 PolarHBondContact O-N 3.46Å; K230-D233 PolarHBondContact O-N 2.88Å; K230-C234 VanDerWaalsContact O-CB 3.29Å; K230-C234 WeakPolarHBondContact O-CB 3.31Å; K230-C234 PolarHBondContact O-N 3.48Å; K230-C234 PolarHBondContact O-SG 2.95Å |
| 231 | D | 98.2 | Very high | 98 | Very high | 95 Ų | 95 | 97.2 Ų | 97.2 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 177.1 | -69.3 | -32.6 | 0 | 0 | 0 | 111.7 | V227 L228 K229 C234 A235 | V227-D231 PolarHBondContact O-N 3.08Å; L228-D231 PolarHBondContact O-N 2.92Å; K229-D231 VanDerWaalsContact C-N 3.3Å; K229-D231 PolarHBondContact O-N 2.89Å; D231-C234 PolarHBondContact O-N 3.35Å; D231-A235 WeakPolarHBondContact O-CB 3.16Å; D231-A235 PolarHBondContact O-N 2.96Å |
| 232 | V | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 100.2 Ų | 100.2 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 171.9 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | L228 K229 C234 A235 Y236 | L228-V232 WeakPolarHBondContact O-CB 3.5Å; L228-V232 WeakPolarHBondContact O-CG2 3.36Å; L228-V232 PolarHBondContact O-N 3.05Å; K229-V232 PolarHBondContact O-N 3.43Å; V232-C234 VanDerWaalsContact C-N 3.31Å; V232-C234 PolarHBondContact O-N 3.32Å; V232-A235 WeakPolarHBondContact O-CB 3.42Å; V232-A235 PolarHBondContact O-N 3.46Å; V232-A235 VanDerWaalsContact O-N 3.08Å; V232-Y236 HydrophobicContact CG1-CD2 3.73Å; V232-Y236 HydrophobicContact CG1-CE2 3.62Å; V232-Y236 VanDerWaalsContact O-CD2 3.32Å; V232-Y236 WeakPolarHBondContact O-CD2 3.45Å; V232-Y236 PolarHBondContact O-N 3.18Å |
| 233 | D | 98.4 | Very high | 98.2 | Very high | 77 Ų | 77 | 99.9 Ų | 99.9 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 177 | -67.5 | -26.2 | 0 | 0 | 0 | 110.5 | K229 K230 A235 Y236 L237 | K229-D233 WeakPolarHBondContact O-CB 3.41Å; K229-D233 VanDerWaalsContact O-CG 3.24Å; K229-D233 PolarHBondContact O-N 3Å; K230-D233 PolarHBondContact O-N 2.88Å; D233-A235 PolarHBondContact O-N 3.45Å; D233-Y236 PolarHBondContact O-N 3.4Å; D233-L237 WeakPolarHBondContact O-CG 3.35Å; D233-L237 PolarHBondContact O-N 3.14Å |
| 234 | C | 97.9 | Very high | 98.3 | Very high | 51 Ų | 51 | 97.3 Ų | 97.3 | 35% | 0.345 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -26.9 | 174.9 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | K230 D231 V232 R238 | K230-C234 VanDerWaalsContact O-CB 3.29Å; K230-C234 WeakPolarHBondContact O-CB 3.31Å; K230-C234 PolarHBondContact O-N 3.48Å; K230-C234 PolarHBondContact O-SG 2.95Å; D231-C234 PolarHBondContact O-N 3.35Å; V232-C234 VanDerWaalsContact C-N 3.31Å; V232-C234 PolarHBondContact O-N 3.32Å; C234-R238 VanDerWaalsContact O-CG 3.32Å; C234-R238 WeakPolarHBondContact O-CG 3.3Å; C234-R238 PolarHBondContact O-N 2.9Å; C234-R238 PolarHBondContact O-NH1 3.44Å; C234-R238 VanDerWaalsContact O-NH1 3.13Å |
| 235 | A | 98.1 | Very high | 98.3 | Very high | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.2 | -38.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D231 V232 D233 K239 | D231-A235 WeakPolarHBondContact O-CB 3.16Å; D231-A235 PolarHBondContact O-N 2.96Å; V232-A235 WeakPolarHBondContact O-CB 3.42Å; V232-A235 PolarHBondContact O-N 3.46Å; V232-A235 VanDerWaalsContact O-N 3.08Å; D233-A235 PolarHBondContact O-N 3.45Å; A235-K239 WeakPolarHBondContact O-CB 3.44Å; A235-K239 PolarHBondContact O-N 3.41Å |
| 236 | Y | 98.6 | Very high | 98.3 | Very high | 155 Ų | 155 | 93.1 Ų | 93.1 | 61% | 0.608 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 173.2 | -86.5 | -68.7 | 0 | 0 | 0 | 112.3 | V232 D233 K239 S240 | V232-Y236 HydrophobicContact CG1-CD2 3.73Å; V232-Y236 HydrophobicContact CG1-CE2 3.62Å; V232-Y236 VanDerWaalsContact O-CD2 3.32Å; V232-Y236 WeakPolarHBondContact O-CD2 3.45Å; V232-Y236 PolarHBondContact O-N 3.18Å; D233-Y236 PolarHBondContact O-N 3.4Å; Y236-K239 WeakPolarHBondContact O-CB 3.47Å; Y236-K239 PolarHBondContact O-N 3.17Å; Y236-S240 PolarHBondContact O-N 3.5Å; Y236-S240 PolarHBondContact O-OG 2.95Å |
| 237 | L | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 96 Ų | 96 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -50.5 | 176.3 | -70.4 | 172.2 | 0 | 0 | 0 | 111.9 | D233 K239 S240 D241 | D233-L237 WeakPolarHBondContact O-CG 3.35Å; D233-L237 PolarHBondContact O-N 3.14Å; L237-K239 PolarHBondContact O-N 3.43Å; L237-S240 WeakPolarHBondContact CA-OG 3.36Å; L237-S240 PolarHBondContact O-N 3.31Å; L237-S240 VanDerWaalsContact O-N 3.12Å; L237-S240 PolarHBondContact O-OG 2.89Å; L237-D241 PolarHBondContact O-N 3.21Å |
| 238 | R | 98.1 | Very high | 98.3 | Very high | 153 Ų | 153 | 94.9 Ų | 94.9 | 58% | 0.577 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.2 | -32.3 | 175.7 | -68.5 | 178 | -165.4 | 108.8 | -7.2 | 112.7 | C234 L242 | C234-R238 VanDerWaalsContact O-CG 3.32Å; C234-R238 WeakPolarHBondContact O-CG 3.3Å; C234-R238 PolarHBondContact O-N 2.9Å; C234-R238 PolarHBondContact O-NH1 3.44Å; C234-R238 VanDerWaalsContact O-NH1 3.13Å; R238-L242 WeakPolarHBondContact O-CB 3.4Å; R238-L242 VanDerWaalsContact O-CG 3.27Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; R238-L242 PolarHBondContact O-N 3.3Å; R238-L242 VanDerWaalsContact O-N 3.08Å |
| 239 | K | 98.5 | Very high | 98.3 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -49 | 174 | 179.8 | -176.2 | 172.1 | -73.4 | 0 | 110.9 | A235 Y236 L237 D241 L242 E243 | A235-K239 WeakPolarHBondContact O-CB 3.44Å; A235-K239 PolarHBondContact O-N 3.41Å; Y236-K239 WeakPolarHBondContact O-CB 3.47Å; Y236-K239 PolarHBondContact O-N 3.17Å; L237-K239 PolarHBondContact O-N 3.43Å; K239-D241 VanDerWaalsContact C-N 3.32Å; K239-D241 PolarHBondContact O-N 3.08Å; K239-L242 PolarHBondContact O-N 3.13Å; K239-E243 WeakPolarHBondContact CE-OE1 3.33Å; K239-E243 IonicContact NZ-OE1 3.56Å; K239-E243 PolarHBondContact NZ-OE1 3.3Å; K239-E243 IonicContact NZ-OE2 3.78Å; K239-E243 PolarHBondContact NZ-OE2 3.2Å; K239-E243 WeakPolarHBondContact O-CG 3.38Å; K239-E243 PolarHBondContact O-N 2.98Å |
| 240 | S | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 93.6 Ų | 93.6 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 177.3 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | Y236 L237 E243 A244 | Y236-S240 PolarHBondContact O-N 3.5Å; Y236-S240 PolarHBondContact O-OG 2.95Å; L237-S240 WeakPolarHBondContact CA-OG 3.36Å; L237-S240 PolarHBondContact O-N 3.31Å; L237-S240 VanDerWaalsContact O-N 3.12Å; L237-S240 PolarHBondContact O-OG 2.89Å; S240-E243 PolarHBondContact O-N 3.31Å; S240-A244 WeakPolarHBondContact O-CB 3.42Å; S240-A244 PolarHBondContact O-N 2.9Å |
| 241 | D | 98.2 | Very high | 98.3 | Very high | 93 Ų | 93 | 94.6 Ų | 94.6 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.1 | -62 | -25.3 | 0 | 0 | 0 | 110.6 | L237 K239 N245 | L237-D241 PolarHBondContact O-N 3.21Å; K239-D241 VanDerWaalsContact C-N 3.32Å; K239-D241 PolarHBondContact O-N 3.08Å; D241-N245 PolarHBondContact O-N 3.49Å; D241-N245 PolarHBondContact O-ND2 2.85Å |
| 242 | L | 98.2 | Very high | 98.3 | Very high | 116 Ų | 116 | 95.3 Ų | 95.3 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68 | -37.1 | 177.4 | -72.9 | 170.5 | 0 | 0 | 0 | 112.7 | R238 K239 N245 V246 | R238-L242 WeakPolarHBondContact O-CB 3.4Å; R238-L242 VanDerWaalsContact O-CG 3.27Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; R238-L242 PolarHBondContact O-N 3.3Å; R238-L242 VanDerWaalsContact O-N 3.08Å; K239-L242 PolarHBondContact O-N 3.13Å; L242-N245 PolarHBondContact O-N 2.86Å; L242-V246 WeakPolarHBondContact O-CG2 3.48Å; L242-V246 PolarHBondContact O-N 3.45Å |
| 243 | E | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 94.6 Ų | 94.6 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 175.2 | -75 | 173 | 141.6 | 0 | 0 | 111.2 | K239 S240 N245 V246 E247 | K239-E243 WeakPolarHBondContact CE-OE1 3.33Å; K239-E243 IonicContact NZ-OE1 3.56Å; K239-E243 PolarHBondContact NZ-OE1 3.3Å; K239-E243 IonicContact NZ-OE2 3.78Å; K239-E243 PolarHBondContact NZ-OE2 3.2Å; K239-E243 WeakPolarHBondContact O-CG 3.38Å; K239-E243 PolarHBondContact O-N 2.98Å; S240-E243 PolarHBondContact O-N 3.31Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.98Å; E243-V246 PolarHBondContact O-N 3.33Å; E243-V246 VanDerWaalsContact O-N 3.12Å; E243-E247 WeakPolarHBondContact O-CG 3.34Å; E243-E247 PolarHBondContact O-N 2.97Å |
| 244 | A | 98.4 | Very high | 98.3 | Very high | 54 Ų | 54 | 92.9 Ų | 92.9 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | S240 E247 A248 | S240-A244 WeakPolarHBondContact O-CB 3.42Å; S240-A244 PolarHBondContact O-N 2.9Å; A244-E247 PolarHBondContact O-N 3.49Å; A244-A248 WeakPolarHBondContact O-CB 3.29Å; A244-A248 PolarHBondContact O-N 3.27Å |
| 245 | N | 98.3 | Very high | 98.3 | Very high | 100 Ų | 100 | 96 Ų | 96 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 173 | -81.4 | -75.7 | 0 | 0 | 0 | 112.2 | D241 L242 E243 L249 | D241-N245 PolarHBondContact O-N 3.49Å; D241-N245 PolarHBondContact O-ND2 2.85Å; L242-N245 PolarHBondContact O-N 2.86Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.98Å; N245-L249 VanDerWaalsContact O-CG 3.29Å; N245-L249 WeakPolarHBondContact O-CG 3.43Å; N245-L249 PolarHBondContact O-N 3.32Å; N245-L249 VanDerWaalsContact O-N 3.1Å |
| 246 | V | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 96.3 Ų | 96.3 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 174.4 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | L242 E243 L249 V250 | L242-V246 WeakPolarHBondContact O-CG2 3.48Å; L242-V246 PolarHBondContact O-N 3.45Å; E243-V246 PolarHBondContact O-N 3.33Å; E243-V246 VanDerWaalsContact O-N 3.12Å; V246-L249 PolarHBondContact O-N 3.49Å; V246-V250 WeakPolarHBondContact O-CG2 3.45Å; V246-V250 PolarHBondContact O-N 3.45Å |
| 247 | E | 98.4 | Very high | 98.3 | Very high | 132 Ų | 132 | 96.6 Ų | 96.6 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -48 | 175.2 | -72.2 | 176.1 | 168.3 | 0 | 0 | 111.3 | E243 A244 L249 V250 E251 | E243-E247 WeakPolarHBondContact O-CG 3.34Å; E243-E247 PolarHBondContact O-N 2.97Å; A244-E247 PolarHBondContact O-N 3.49Å; E247-L249 PolarHBondContact O-N 2.82Å; E247-V250 WeakPolarHBondContact O-CB 3.43Å; E247-V250 PolarHBondContact O-N 3.11Å; E247-V250 VanDerWaalsContact O-N 3.1Å; E247-E251 PolarHBondContact O-N 2.95Å |
| 248 | A | 98.3 | Very high | 98.3 | Very high | 53 Ų | 53 | 98.2 Ų | 98.2 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A244 V250 E251 E252 | A244-A248 WeakPolarHBondContact O-CB 3.29Å; A244-A248 PolarHBondContact O-N 3.27Å; A248-V250 VanDerWaalsContact C-N 3.34Å; A248-V250 PolarHBondContact O-N 3.22Å; A248-E251 PolarHBondContact O-N 3.4Å; A248-E252 PolarHBondContact O-N 2.89Å |
| 249 | L | 98.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 94.6 Ų | 94.6 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.2 | -31.1 | 176 | -72.1 | 168.6 | 0 | 0 | 0 | 112.8 | N245 V246 E247 S253 | N245-L249 VanDerWaalsContact O-CG 3.29Å; N245-L249 WeakPolarHBondContact O-CG 3.43Å; N245-L249 PolarHBondContact O-N 3.32Å; N245-L249 VanDerWaalsContact O-N 3.1Å; V246-L249 PolarHBondContact O-N 3.49Å; E247-L249 PolarHBondContact O-N 2.82Å; L249-S253 WeakPolarHBondContact O-CB 3.32Å; L249-S253 PolarHBondContact O-N 2.78Å |
| 250 | V | 98.5 | Very high | 98.2 | Very high | 94 Ų | 94 | 96 Ų | 96 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.2 | -41.5 | 172.4 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | V246 E247 A248 S253 S254 | V246-V250 WeakPolarHBondContact O-CG2 3.45Å; V246-V250 PolarHBondContact O-N 3.45Å; E247-V250 WeakPolarHBondContact O-CB 3.43Å; E247-V250 PolarHBondContact O-N 3.11Å; E247-V250 VanDerWaalsContact O-N 3.1Å; A248-V250 VanDerWaalsContact C-N 3.34Å; A248-V250 PolarHBondContact O-N 3.22Å; V250-S253 PolarHBondContact O-N 3.33Å; V250-S254 WeakPolarHBondContact O-CB 3.45Å; V250-S254 PolarHBondContact O-N 2.89Å |
| 251 | E | 98.3 | Very high | 98.2 | Very high | 141 Ų | 141 | 98 Ų | 98 | 66% | 0.659 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -48.5 | 173.9 | -71 | -166.8 | 158.4 | 0 | 0 | 111.5 | E247 A248 S253 S254 F255 | E247-E251 PolarHBondContact O-N 2.95Å; A248-E251 PolarHBondContact O-N 3.4Å; E251-S253 PolarHBondContact O-N 3.48Å; E251-S254 CarbonylContact O-C 3.46Å; E251-S254 WeakPolarHBondContact O-CB 3.38Å; E251-S254 PolarHBondContact O-N 2.87Å; E251-S254 VanDerWaalsContact O-N 3.12Å; E251-S254 PolarHBondContact O-OG 2.87Å; E251-F255 PolarHBondContact O-N 2.91Å |
| 252 | E | 98.3 | Very high | 98.1 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 175.3 | -175.7 | -178.9 | -166.7 | 0 | 0 | 111.6 | A248 S254 F255 L256 | A248-E252 PolarHBondContact O-N 2.89Å; E252-S254 VanDerWaalsContact C-N 3.26Å; E252-S254 PolarHBondContact O-N 3.39Å; E252-F255 WeakPolarHBondContact O-CB 3.43Å; E252-F255 PolarHBondContact O-N 3.39Å; E252-F255 VanDerWaalsContact O-N 3.09Å; E252-L256 HydrophobicContact CG-CD1 4.16Å; E252-L256 WeakPolarHBondContact O-CG 3.27Å; E252-L256 PolarHBondContact O-N 2.9Å |
| 253 | S | 97.9 | Very high | 98 | Very high | 51 Ų | 51 | 97.4 Ų | 97.4 | 36% | 0.357 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 176.5 | -165.9 | 0 | 0 | 0 | 0 | 112.2 | L249 V250 E251 R257 | L249-S253 WeakPolarHBondContact O-CB 3.32Å; L249-S253 PolarHBondContact O-N 2.78Å; V250-S253 PolarHBondContact O-N 3.33Å; E251-S253 PolarHBondContact O-N 3.48Å; S253-R257 VanDerWaalsContact O-CG 3.24Å; S253-R257 WeakPolarHBondContact O-CG 3.45Å; S253-R257 PolarHBondContact O-N 2.91Å; S253-R257 VanDerWaalsContact O-N 3.16Å |
| 254 | S | 98.2 | Very high | 97.8 | Very high | 41 Ų | 41 | 97.6 Ų | 97.6 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71 | -31.1 | 175.7 | 85.2 | 0 | 0 | 0 | 0 | 113 | V250 E251 E252 R258 | V250-S254 WeakPolarHBondContact O-CB 3.45Å; V250-S254 PolarHBondContact O-N 2.89Å; E251-S254 CarbonylContact O-C 3.46Å; E251-S254 WeakPolarHBondContact O-CB 3.38Å; E251-S254 PolarHBondContact O-N 2.87Å; E251-S254 VanDerWaalsContact O-N 3.12Å; E251-S254 PolarHBondContact O-OG 2.87Å; E252-S254 VanDerWaalsContact C-N 3.26Å; E252-S254 PolarHBondContact O-N 3.39Å; S254-R258 WeakPolarHBondContact O-CG 2.85Å; S254-R258 PolarHBondContact O-N 3.22Å; S254-R258 PolarHBondContact O-NE 3.41Å; S254-R258 PolarHBondContact OG-NH2 3.14Å |
| 255 | F | 98.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.1 | -49.5 | 175.8 | 170.6 | -99.9 | 0 | 0 | 0 | 110.6 | E251 E252 R257 R258 L259 | E251-F255 PolarHBondContact O-N 2.91Å; E252-F255 WeakPolarHBondContact O-CB 3.43Å; E252-F255 PolarHBondContact O-N 3.39Å; E252-F255 VanDerWaalsContact O-N 3.09Å; F255-R257 VanDerWaalsContact C-N 3.33Å; F255-R257 PolarHBondContact O-N 2.9Å; F255-R258 PolarHBondContact O-N 2.93Å; F255-R258 VanDerWaalsContact O-N 3.14Å; F255-L259 HydrophobicContact CE1-CD1 3.88Å; F255-L259 HydrophobicContact CZ-CD1 3.87Å; F255-L259 WeakPolarHBondContact O-CB 3.42Å; F255-L259 PolarHBondContact O-N 3.46Å |
| 256 | L | 98.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 100.7 Ų | 100.7 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 178.4 | -69.4 | 172.7 | 0 | 0 | 0 | 112.1 | E252 L259 Y260 | E252-L256 HydrophobicContact CG-CD1 4.16Å; E252-L256 WeakPolarHBondContact O-CG 3.27Å; E252-L256 PolarHBondContact O-N 2.9Å; L256-L259 PolarHBondContact O-N 3.38Å; L256-Y260 HydrophobicContact CB-CE2 4.24Å; L256-Y260 WeakPolarHBondContact O-CD2 3.39Å; L256-Y260 PolarHBondContact O-N 3.44Å |
| 257 | R | 97.9 | Very high | 97.1 | Very high | 161 Ų | 161 | 101 Ų | 101 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.4 | -49.3 | 173.5 | -72.6 | 172.2 | -163.7 | -147.8 | 3.8 | 112.2 | S253 F255 L259 Y260 E261 | S253-R257 VanDerWaalsContact O-CG 3.24Å; S253-R257 WeakPolarHBondContact O-CG 3.45Å; S253-R257 PolarHBondContact O-N 2.91Å; S253-R257 VanDerWaalsContact O-N 3.16Å; F255-R257 VanDerWaalsContact C-N 3.33Å; F255-R257 PolarHBondContact O-N 2.9Å; R257-L259 VanDerWaalsContact C-N 3.33Å; R257-L259 PolarHBondContact O-N 3.45Å; R257-Y260 PolarHBondContact O-N 2.91Å; R257-E261 WeakPolarHBondContact O-CG 3.43Å; R257-E261 PolarHBondContact O-N 2.69Å |
| 258 | R | 97.8 | Very high | 96.7 | Very high | 143 Ų | 143 | 100.2 Ų | 100.2 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.9 | -76.1 | 177.3 | -79.2 | 166.8 | -7.8 | 111.9 | S254 F255 E261 E262 | S254-R258 WeakPolarHBondContact O-CG 2.85Å; S254-R258 PolarHBondContact O-N 3.22Å; S254-R258 PolarHBondContact O-NE 3.41Å; S254-R258 PolarHBondContact OG-NH2 3.14Å; F255-R258 PolarHBondContact O-N 2.93Å; F255-R258 VanDerWaalsContact O-N 3.14Å; R258-E261 PolarHBondContact O-N 3.39Å; R258-E262 WeakPolarHBondContact O-CG 3.46Å; R258-E262 PolarHBondContact O-N 2.91Å |
| 259 | L | 98 | Very high | 96.2 | Very high | 77 Ų | 77 | 99.9 Ų | 99.9 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 176.2 | -175.7 | 151.1 | 0 | 0 | 0 | 111.5 | F255 L256 R257 E261 E262 E263 | F255-L259 HydrophobicContact CE1-CD1 3.88Å; F255-L259 HydrophobicContact CZ-CD1 3.87Å; F255-L259 WeakPolarHBondContact O-CB 3.42Å; F255-L259 PolarHBondContact O-N 3.46Å; L256-L259 PolarHBondContact O-N 3.38Å; R257-L259 VanDerWaalsContact C-N 3.33Å; R257-L259 PolarHBondContact O-N 3.45Å; L259-E261 VanDerWaalsContact C-N 3.35Å; L259-E261 PolarHBondContact O-N 3.02Å; L259-E262 PolarHBondContact O-N 3.2Å; L259-E263 WeakPolarHBondContact O-CB 3.3Å; L259-E263 PolarHBondContact O-N 3.06Å |
| 260 | Y | 97.4 | Very high | 95.6 | Very high | 129 Ų | 129 | 100.5 Ų | 100.5 | 51% | 0.506 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 176.3 | -64.1 | -49.2 | 0 | 0 | 0 | 112.8 | L256 R257 E263 I264 | L256-Y260 HydrophobicContact CB-CE2 4.24Å; L256-Y260 WeakPolarHBondContact O-CD2 3.39Å; L256-Y260 PolarHBondContact O-N 3.44Å; R257-Y260 PolarHBondContact O-N 2.91Å; Y260-E263 PolarHBondContact O-N 2.89Å; Y260-I264 WeakPolarHBondContact O-CB 3.49Å; Y260-I264 WeakPolarHBondContact O-CD1 3.47Å; Y260-I264 WeakPolarHBondContact O-CG1 3.27Å; Y260-I264 PolarHBondContact O-N 3.14Å |
| 261 | E | 97.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 173.8 | -77 | 173.6 | -146.9 | 0 | 0 | 112.4 | R257 R258 L259 R265 | R257-E261 WeakPolarHBondContact O-CG 3.43Å; R257-E261 PolarHBondContact O-N 2.69Å; R258-E261 PolarHBondContact O-N 3.39Å; L259-E261 VanDerWaalsContact C-N 3.35Å; L259-E261 PolarHBondContact O-N 3.02Å; E261-R265 WeakPolarHBondContact O-CG 3.47Å; E261-R265 PolarHBondContact O-N 2.87Å; E261-R265 IonicContact OE2-NH2 2.68Å |
| 262 | E | 96.2 | Very high | 93.6 | Very high | 95 Ų | 95 | 98.9 Ų | 98.9 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.4 | -38.2 | 174.8 | -59.8 | -56.1 | 162.9 | 0 | 0 | 112.2 | R258 L259 I264 R265 V266 | R258-E262 WeakPolarHBondContact O-CG 3.46Å; R258-E262 PolarHBondContact O-N 2.91Å; L259-E262 PolarHBondContact O-N 3.2Å; E262-I264 VanDerWaalsContact C-N 3.32Å; E262-I264 PolarHBondContact O-N 2.62Å; E262-R265 PolarHBondContact O-N 3.24Å; E262-R265 VanDerWaalsContact O-N 3.1Å; E262-R265 IonicContact OE1-CZ 2.92Å; E262-R265 IonicContact OE1-NH1 3.33Å; E262-R265 PolarHBondContact OE1-NH1 3.47Å; E262-R265 IonicContact OE1-NH2 3.64Å; E262-R265 WeakPolarHBondContact OE2-CD 3.42Å; E262-R265 IonicContact OE2-CZ 3.37Å; E262-R265 IonicContact OE2-NE 3.46Å; E262-R265 IonicContact OE2-NH1 2.63Å; E262-R265 PolarHBondContact OE2-NH1 2.82Å; E262-V266 WeakPolarHBondContact O-CG2 3.36Å; E262-V266 PolarHBondContact O-N 3.37Å |
| 263 | E | 96.3 | Very high | 92.1 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 174.8 | -176.3 | 177 | -162.7 | 0 | 0 | 111.2 | L259 Y260 R265 V266 L267 | L259-E263 WeakPolarHBondContact O-CB 3.3Å; L259-E263 PolarHBondContact O-N 3.06Å; Y260-E263 PolarHBondContact O-N 2.89Å; E263-R265 VanDerWaalsContact C-N 3.33Å; E263-R265 PolarHBondContact O-N 3.42Å; E263-V266 PolarHBondContact O-N 3.42Å; E263-L267 HydrophobicContact CG-CD1 4.12Å; E263-L267 WeakPolarHBondContact O-CB 3.4Å; E263-L267 VanDerWaalsContact O-CG 3.32Å; E263-L267 WeakPolarHBondContact O-CG 3.49Å; E263-L267 PolarHBondContact O-N 2.91Å |
| 264 | I | 95 | Very high | 90.3 | Very high | 93 Ų | 93 | 101 Ų | 101 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 174.7 | -72 | 165.5 | 0 | 0 | 0 | 111.3 | Y260 E262 Q268 | Y260-I264 WeakPolarHBondContact O-CB 3.49Å; Y260-I264 WeakPolarHBondContact O-CD1 3.47Å; Y260-I264 WeakPolarHBondContact O-CG1 3.27Å; Y260-I264 PolarHBondContact O-N 3.14Å; E262-I264 VanDerWaalsContact C-N 3.32Å; E262-I264 PolarHBondContact O-N 2.62Å; I264-Q268 WeakPolarHBondContact O-CB 3.43Å; I264-Q268 WeakPolarHBondContact O-CG 3.48Å; I264-Q268 PolarHBondContact O-N 3.01Å |
| 265 | R | 94.8 | Very high | 87.9 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 46% | 0.464 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67 | -42 | 176.3 | -69.1 | 176.8 | -152.2 | 156.3 | 9.4 | 112.4 | E261 E262 E263 Q268 A269 | E261-R265 WeakPolarHBondContact O-CG 3.47Å; E261-R265 PolarHBondContact O-N 2.87Å; E261-R265 IonicContact OE2-NH2 2.68Å; E262-R265 PolarHBondContact O-N 3.24Å; E262-R265 VanDerWaalsContact O-N 3.1Å; E262-R265 IonicContact OE1-CZ 2.92Å; E262-R265 IonicContact OE1-NH1 3.33Å; E262-R265 PolarHBondContact OE1-NH1 3.47Å; E262-R265 IonicContact OE1-NH2 3.64Å; E262-R265 WeakPolarHBondContact OE2-CD 3.42Å; E262-R265 IonicContact OE2-CZ 3.37Å; E262-R265 IonicContact OE2-NE 3.46Å; E262-R265 IonicContact OE2-NH1 2.63Å; E262-R265 PolarHBondContact OE2-NH1 2.82Å; E263-R265 VanDerWaalsContact C-N 3.33Å; E263-R265 PolarHBondContact O-N 3.42Å; R265-Q268 PolarHBondContact O-N 3.45Å; R265-A269 WeakPolarHBondContact O-CB 3.5Å; R265-A269 PolarHBondContact O-N 2.85Å |
| 266 | V | 93.6 | Very high | 85.8 | Confident | 96 Ų | 96 | 102.7 Ų | 102.7 | 58% | 0.582 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | E262 E263 A269 H270 | E262-V266 WeakPolarHBondContact O-CG2 3.36Å; E262-V266 PolarHBondContact O-N 3.37Å; E263-V266 PolarHBondContact O-N 3.42Å; V266-A269 PolarHBondContact O-N 2.91Å; V266-H270 WeakPolarHBondContact O-CB 3.24Å; V266-H270 PolarHBondContact O-N 3.24Å |
| 267 | L | 91.5 | Very high | 83.5 | Confident | 96 Ų | 96 | 106.9 Ų | 106.9 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.3 | -69.2 | 171.1 | 0 | 0 | 0 | 112 | E263 H270 I271 | E263-L267 HydrophobicContact CG-CD1 4.12Å; E263-L267 WeakPolarHBondContact O-CB 3.4Å; E263-L267 VanDerWaalsContact O-CG 3.32Å; E263-L267 WeakPolarHBondContact O-CG 3.49Å; E263-L267 PolarHBondContact O-N 2.91Å; L267-H270 PolarHBondContact O-N 3Å; L267-I271 WeakPolarHBondContact O-CB 3.21Å; L267-I271 WeakPolarHBondContact O-CD1 3.4Å; L267-I271 VanDerWaalsContact O-CG1 3.22Å; L267-I271 WeakPolarHBondContact O-CG1 3.4Å; L267-I271 PolarHBondContact O-N 3.05Å |
| 268 | Q | 90.2 | Very high | 81 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 173.7 | -74.7 | 170 | 2.5 | 0 | 0 | 112.5 | I264 R265 S272 | I264-Q268 WeakPolarHBondContact O-CB 3.43Å; I264-Q268 WeakPolarHBondContact O-CG 3.48Å; I264-Q268 PolarHBondContact O-N 3.01Å; R265-Q268 PolarHBondContact O-N 3.45Å; Q268-S272 PolarHBondContact O-N 2.8Å; Q268-S272 VanDerWaalsContact O-N 3.12Å; Q268-S272 PolarHBondContact O-OG 2.9Å |
| 269 | A | 87.8 | Confident | 78.6 | Confident | 47 Ų | 47 | 106 Ų | 106 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -49.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R265 V266 I271 S272 D273 | R265-A269 WeakPolarHBondContact O-CB 3.5Å; R265-A269 PolarHBondContact O-N 2.85Å; V266-A269 PolarHBondContact O-N 2.91Å; A269-I271 VanDerWaalsContact C-N 3.33Å; A269-I271 PolarHBondContact O-N 3.49Å; A269-S272 CarbonylContact O-C 3.57Å; A269-S272 WeakPolarHBondContact O-CA 3.49Å; A269-S272 VanDerWaalsContact O-CB 3.26Å; A269-S272 WeakPolarHBondContact O-CB 3.35Å; A269-S272 PolarHBondContact O-N 3Å; A269-D273 PolarHBondContact O-N 3.23Å |
| 270 | H | 85.9 | Confident | 76.5 | Confident | 121 Ų | 121 | 109.3 Ų | 109.3 | 56% | 0.56 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.5 | -40.2 | 178.4 | -169.7 | -57.5 | 0 | 0 | 0 | 112.6 | V266 L267 S272 D273 T274 | V266-H270 WeakPolarHBondContact O-CB 3.24Å; V266-H270 PolarHBondContact O-N 3.24Å; L267-H270 PolarHBondContact O-N 3Å; H270-S272 VanDerWaalsContact C-N 3.26Å; H270-S272 PolarHBondContact O-N 3.17Å; H270-D273 PolarHBondContact O-N 3.33Å; H270-T274 PolarHBondContact CE1-OG1 3.47Å; H270-T274 PolarHBondContact ND1-OG1 2.99Å; H270-T274 WeakPolarHBondContact O-CB 3.44Å; H270-T274 PolarHBondContact O-N 3.23Å; H270-T274 PolarHBondContact O-OG1 3.33Å |
| 271 | I | 78.8 | Confident | 74 | Confident | 128 Ų | 128 | 110.3 Ų | 110.3 | 66% | 0.656 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.3 | -35.9 | 173.8 | -71.4 | 164.4 | 0 | 0 | 0 | 111.1 | L267 A269 | L267-I271 WeakPolarHBondContact O-CB 3.21Å; L267-I271 WeakPolarHBondContact O-CD1 3.4Å; L267-I271 VanDerWaalsContact O-CG1 3.22Å; L267-I271 WeakPolarHBondContact O-CG1 3.4Å; L267-I271 PolarHBondContact O-N 3.05Å; A269-I271 VanDerWaalsContact C-N 3.33Å; A269-I271 PolarHBondContact O-N 3.49Å |
| 272 | S | 76.1 | Confident | 71.9 | Confident | 73 Ų | 73 | 111.3 Ų | 111.3 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71 | -48.7 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | Q268 A269 H270 T274 S275 | Q268-S272 PolarHBondContact O-N 2.8Å; Q268-S272 VanDerWaalsContact O-N 3.12Å; Q268-S272 PolarHBondContact O-OG 2.9Å; A269-S272 CarbonylContact O-C 3.57Å; A269-S272 WeakPolarHBondContact O-CA 3.49Å; A269-S272 VanDerWaalsContact O-CB 3.26Å; A269-S272 WeakPolarHBondContact O-CB 3.35Å; A269-S272 PolarHBondContact O-N 3Å; H270-S272 VanDerWaalsContact C-N 3.26Å; H270-S272 PolarHBondContact O-N 3.17Å; S272-T274 PolarHBondContact O-N 2.85Å; S272-S275 VanDerWaalsContact O-CB 3.31Å; S272-S275 WeakPolarHBondContact O-CB 3.46Å; S272-S275 PolarHBondContact O-N 3.25Å; S272-S275 PolarHBondContact O-OG 3.43Å |
| 273 | D | 66.9 | Low | 69.9 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.6 | -37.9 | -177.7 | -65.7 | -29.4 | 0 | 0 | 0 | 112.2 | A269 H270 S275 V276 | A269-D273 PolarHBondContact O-N 3.23Å; H270-D273 PolarHBondContact O-N 3.33Å; D273-S275 PolarHBondContact O-N 2.95Å; D273-S275 VanDerWaalsContact O-N 3.12Å; D273-V276 PolarHBondContact O-N 3.47Å; D273-V276 VanDerWaalsContact O-N 3.07Å |
| 274 | T | 59.9 | Low | 68.2 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -12.1 | 177.9 | -46.7 | 0 | 0 | 0 | 0 | 112.6 | H270 S272 V276 | H270-T274 PolarHBondContact CE1-OG1 3.47Å; H270-T274 PolarHBondContact ND1-OG1 2.99Å; H270-T274 WeakPolarHBondContact O-CB 3.44Å; H270-T274 PolarHBondContact O-N 3.23Å; H270-T274 PolarHBondContact O-OG1 3.33Å; S272-T274 PolarHBondContact O-N 2.85Å; T274-V276 PolarHBondContact O-N 2.99Å |
| 275 | S | 47 | Very low | 66.7 | Low | 91 Ų | 91 | 121.6 Ų | 121.6 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -15.4 | 172.4 | 76.9 | 0 | 0 | 0 | 0 | 113.4 | S272 D273 I277 | S272-S275 VanDerWaalsContact O-CB 3.31Å; S272-S275 WeakPolarHBondContact O-CB 3.46Å; S272-S275 PolarHBondContact O-N 3.25Å; S272-S275 PolarHBondContact O-OG 3.43Å; D273-S275 PolarHBondContact O-N 2.95Å; D273-S275 VanDerWaalsContact O-N 3.12Å; S275-I277 PolarHBondContact O-N 3.02Å |
| 276 | V | 55 | Low | 65.2 | Low | 100 Ų | 100 | 121 Ų | 121 | 61% | 0.606 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -89.9 | 94 | 178.7 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | D273 T274 V278 | D273-V276 PolarHBondContact O-N 3.47Å; D273-V276 VanDerWaalsContact O-N 3.07Å; T274-V276 PolarHBondContact O-N 2.99Å; V276-V278 VanDerWaalsContact C-N 3.33Å; V276-V278 HydrophobicContact CG1-CG2 3.92Å; V276-V278 PolarHBondContact O-N 3.43Å |
| 277 | I | 49.5 | Very low | 64.1 | Low | 151 Ų | 151 | 120.8 Ų | 120.8 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | trans | -72.5 | 84.7 | 177.2 | -53.8 | 177.3 | 0 | 0 | 0 | 110.4 | S275 K279 | S275-I277 PolarHBondContact O-N 3.02Å; I277-K279 PolarHBondContact O-N 2.93Å | ||
| 278 | V | 46.6 | Very low | 63.3 | Low | 107 Ų | 107 | 121.8 Ų | 121.8 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | trans | -76.2 | 103.4 | 173.2 | -176 | 0 | 0 | 0 | 0 | 110 | V276 M280 | V276-V278 VanDerWaalsContact C-N 3.33Å; V276-V278 HydrophobicContact CG1-CG2 3.92Å; V276-V278 PolarHBondContact O-N 3.43Å; V278-M280 HydrophobicContact CG1-CG 3.81Å; V278-M280 PolarHBondContact O-N 3.49Å | ||
| 279 | K | 47.1 | Very low | 63 | Low | 177 Ų | 177 | 122.7 Ų | 122.7 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -78 | 109.2 | 166 | -66.9 | -173.8 | 178.5 | -176.1 | 0 | 109.4 | I277 | I277-K279 PolarHBondContact O-N 2.93Š| ||
| 280 | M | 54.7 | Low | 62.7 | Low | 147 Ų | 147 | 124.1 Ų | 124.1 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | trans | -98.2 | 97.2 | 171.8 | -74.8 | -134.6 | -83.6 | 0 | 0 | 110.9 | V278 N282 | V278-M280 HydrophobicContact CG1-CG 3.81Å; V278-M280 PolarHBondContact O-N 3.49Å; M280-N282 VanDerWaalsContact C-N 3.32Å; M280-N282 PolarHBondContact O-N 2.91Å | ||
| 281 | D | 44.8 | Very low | 62.6 | Low | 150 Ų | 150 | 121 Ų | 121 | 80% | 0.802 | 65% | 0.651 | S | S | * | * | trans | -75.3 | 84.2 | 171.7 | -69.3 | -32 | 0 | 0 | 0 | 110 | S283 | D281-S283 VanDerWaalsContact C-N 3.31Å; D281-S283 PolarHBondContact O-N 3.34Å | ||
| 282 | N | 52.1 | Low | 63 | Low | 121 Ų | 121 | 117.8 Ų | 117.8 | 65% | 0.647 | 64% | 0.637 | S | S | * | * | trans | -87.1 | 63.2 | -172.2 | -129.9 | -21.6 | 0 | 0 | 0 | 111.9 | M280 R284 | M280-N282 VanDerWaalsContact C-N 3.32Å; M280-N282 PolarHBondContact O-N 2.91Å; N282-R284 PolarHBondContact O-N 3.2Å | ||
| 283 | S | 55 | Low | 63.6 | Low | 117 Ų | 117 | 117 Ų | 117 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | trans | -78.5 | 81.6 | -178.7 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | D281 | D281-S283 VanDerWaalsContact C-N 3.31Å; D281-S283 PolarHBondContact O-N 3.34Å | ||
| 284 | R | 60.4 | Low | 64.7 | Low | 210 Ų | 210 | 117 Ų | 117 | 79% | 0.792 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -130.2 | 141.5 | 161 | -72.2 | -179.4 | 171.3 | 166 | -2 | 108.6 | N282 L286 | N282-R284 PolarHBondContact O-N 3.2Å; R284-L286 PolarHBondContact O-N 2.97Å |
| 285 | D | 63.2 | Low | 66.2 | Low | 178 Ų | 178 | 116.5 Ų | 116.5 | 95% | 0.952 | 62% | 0.624 | S | S | * | * | trans | -67.7 | 96.1 | 174.6 | -71.9 | -45.7 | 0 | 0 | 0 | 109.8 | ||||
| 286 | L | 63.7 | Low | 68.3 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | trans | -73.2 | 125.5 | 175.9 | -70.3 | 161.9 | 0 | 0 | 0 | 108.4 | R284 M288 I291 | R284-L286 PolarHBondContact O-N 2.97Å; L286-M288 VanDerWaalsContact C-N 3.27Å; L286-M288 HydrophobicContact CB-SD 4.07Å; L286-M288 PolarHBondContact O-N 2.69Å; L286-I291 HydrophobicContact CB-CD1 3.81Å; L286-I291 HydrophobicContact CD2-CD1 3.68Å; L286-I291 HydrophobicContact CG-CD1 4.28Å | ||
| 287 | N | 69.3 | Low | 70.1 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | trans | -70.7 | 89.8 | 170.8 | -175.4 | -27.7 | 0 | 0 | 0 | 108.8 | D289 C290 I291 | N287-D289 PolarHBondContact O-N 3.17Å; N287-D289 PolarHBondContact OD1-N 2.76Å; N287-C290 HydrophobicContact CB-CB 4.2Å; N287-C290 VanDerWaalsContact CG-SG 3.58Å; N287-C290 PolarHBondContact ND2-SG 3.06Å; N287-C290 VanDerWaalsContact ND2-SG 3.39Å; N287-C290 PolarHBondContact O-N 3.12Å; N287-C290 PolarHBondContact OD1-N 2.91Å; N287-C290 VanDerWaalsContact OD1-N 3.13Å; N287-I291 WeakPolarHBondContact O-CG1 3.35Å; N287-I291 PolarHBondContact O-N 3.09Å | ||
| 288 | M | 76.3 | Confident | 72.1 | Confident | 116 Ų | 116 | 114.2 Ų | 114.2 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58.7 | -34.6 | -174 | -64.3 | -58.7 | -68 | 0 | 0 | 112.3 | L286 I291 V292 | L286-M288 VanDerWaalsContact C-N 3.27Å; L286-M288 HydrophobicContact CB-SD 4.07Å; L286-M288 PolarHBondContact O-N 2.69Å; M288-I291 PolarHBondContact O-N 2.85Å; M288-V292 VanDerWaalsContact O-CB 3.22Å; M288-V292 WeakPolarHBondContact O-CB 3.44Å; M288-V292 WeakPolarHBondContact O-CG2 3.33Å; M288-V292 PolarHBondContact O-N 2.97Å |
| 289 | D | 82.9 | Confident | 74.4 | Confident | 135 Ų | 135 | 117.2 Ų | 117.2 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.8 | -42.6 | 179.8 | -66.1 | -44.6 | 0 | 0 | 0 | 111.9 | N287 A293 | N287-D289 PolarHBondContact O-N 3.17Å; N287-D289 PolarHBondContact OD1-N 2.76Å; D289-A293 VanDerWaalsContact O-CB 3.27Å; D289-A293 WeakPolarHBondContact O-CB 3.07Å; D289-A293 PolarHBondContact O-N 3.23Å |
| 290 | C | 82.3 | Confident | 76.6 | Confident | 76 Ų | 76 | 114.3 Ų | 114.3 | 51% | 0.514 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.4 | -43.9 | 173.1 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | N287 A293 E294 | N287-C290 HydrophobicContact CB-CB 4.2Å; N287-C290 VanDerWaalsContact CG-SG 3.58Å; N287-C290 PolarHBondContact ND2-SG 3.06Å; N287-C290 VanDerWaalsContact ND2-SG 3.39Å; N287-C290 PolarHBondContact O-N 3.12Å; N287-C290 PolarHBondContact OD1-N 2.91Å; N287-C290 VanDerWaalsContact OD1-N 3.13Å; C290-A293 PolarHBondContact O-N 3.46Å; C290-E294 WeakPolarHBondContact O-CB 3.42Å; C290-E294 PolarHBondContact O-N 3.35Å |
| 291 | I | 83.4 | Confident | 78.5 | Confident | 57 Ų | 57 | 110.5 Ų | 110.5 | 29% | 0.292 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.6 | -39.8 | -178.9 | -65 | 170.4 | 0 | 0 | 0 | 111 | L286 N287 M288 A293 E294 I295 | L286-I291 HydrophobicContact CB-CD1 3.81Å; L286-I291 HydrophobicContact CD2-CD1 3.68Å; L286-I291 HydrophobicContact CG-CD1 4.28Å; N287-I291 WeakPolarHBondContact O-CG1 3.35Å; N287-I291 PolarHBondContact O-N 3.09Å; M288-I291 PolarHBondContact O-N 2.85Å; I291-A293 VanDerWaalsContact C-N 3.33Å; I291-E294 PolarHBondContact O-N 3.05Å; I291-I295 HydrophobicContact CG2-CD1 3.71Å; I291-I295 HydrophobicContact CG2-CG1 4.35Å; I291-I295 VanDerWaalsContact O-CB 3.31Å; I291-I295 WeakPolarHBondContact O-CB 3.47Å; I291-I295 WeakPolarHBondContact O-CG1 3.32Å; I291-I295 PolarHBondContact O-N 2.94Å |
| 292 | V | 86.8 | Confident | 80.8 | Confident | 59 Ų | 59 | 106.9 Ų | 106.9 | 36% | 0.358 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.4 | -33.7 | 174.2 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | M288 K296 | M288-V292 VanDerWaalsContact O-CB 3.22Å; M288-V292 WeakPolarHBondContact O-CB 3.44Å; M288-V292 WeakPolarHBondContact O-CG2 3.33Å; M288-V292 PolarHBondContact O-N 2.97Å; V292-K296 HydrophobicContact CG1-CD 4.13Å; V292-K296 WeakPolarHBondContact O-CB 3.34Å; V292-K296 WeakPolarHBondContact O-CD 3.36Å; V292-K296 WeakPolarHBondContact O-CG 3.46Å; V292-K296 PolarHBondContact O-N 2.99Å |
| 293 | A | 88.4 | Confident | 82.8 | Confident | 57 Ų | 57 | 103.3 Ų | 103.3 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D289 C290 I291 K296 A297 | D289-A293 VanDerWaalsContact O-CB 3.27Å; D289-A293 WeakPolarHBondContact O-CB 3.07Å; D289-A293 PolarHBondContact O-N 3.23Å; C290-A293 PolarHBondContact O-N 3.46Å; I291-A293 VanDerWaalsContact C-N 3.33Å; A293-K296 PolarHBondContact O-N 2.92Å; A293-A297 WeakPolarHBondContact O-CB 3.5Å; A293-A297 PolarHBondContact O-N 2.68Å |
| 294 | E | 89.8 | Confident | 84.7 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 175.8 | -175.2 | 176.4 | -177.1 | 0 | 0 | 111.7 | C290 I291 K296 A297 Q298 | C290-E294 WeakPolarHBondContact O-CB 3.42Å; C290-E294 PolarHBondContact O-N 3.35Å; I291-E294 PolarHBondContact O-N 3.05Å; E294-K296 VanDerWaalsContact C-N 3.33Å; E294-K296 PolarHBondContact O-N 3.18Å; E294-A297 PolarHBondContact O-N 2.76Å; E294-Q298 WeakPolarHBondContact O-CG 3.39Å; E294-Q298 PolarHBondContact O-N 3.27Å; E294-Q298 PolarHBondContact OE1-NE2 3.16Å |
| 295 | I | 91.1 | Very high | 86.3 | Confident | 80 Ų | 80 | 96 Ų | 96 | 41% | 0.41 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.8 | -73.3 | 170 | 0 | 0 | 0 | 110.8 | I291 Q298 Y299 | I291-I295 HydrophobicContact CG2-CD1 3.71Å; I291-I295 HydrophobicContact CG2-CG1 4.35Å; I291-I295 VanDerWaalsContact O-CB 3.31Å; I291-I295 WeakPolarHBondContact O-CB 3.47Å; I291-I295 WeakPolarHBondContact O-CG1 3.32Å; I291-I295 PolarHBondContact O-N 2.94Å; I295-Q298 PolarHBondContact O-N 3.35Å; I295-Y299 HydrophobicContact CG2-CD2 3.65Å; I295-Y299 HydrophobicContact CG2-CE2 3.66Å; I295-Y299 VanDerWaalsContact O-CD2 3.27Å; I295-Y299 WeakPolarHBondContact O-CD2 3.35Å; I295-Y299 PolarHBondContact O-N 3.42Å |
| 296 | K | 91.3 | Very high | 87.8 | Confident | 127 Ų | 127 | 90.8 Ų | 90.8 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -48.7 | 174.2 | -77.1 | 167.3 | -177.6 | 171.7 | 0 | 111.6 | V292 A293 E294 Q298 Y299 D300 | V292-K296 HydrophobicContact CG1-CD 4.13Å; V292-K296 WeakPolarHBondContact O-CB 3.34Å; V292-K296 WeakPolarHBondContact O-CD 3.36Å; V292-K296 WeakPolarHBondContact O-CG 3.46Å; V292-K296 PolarHBondContact O-N 2.99Å; A293-K296 PolarHBondContact O-N 2.92Å; E294-K296 VanDerWaalsContact C-N 3.33Å; E294-K296 PolarHBondContact O-N 3.18Å; K296-Q298 VanDerWaalsContact C-N 3.31Å; K296-Q298 PolarHBondContact O-N 2.83Å; K296-Y299 PolarHBondContact O-N 3.44Å; K296-Y299 VanDerWaalsContact O-N 3.14Å; K296-D300 PolarHBondContact O-N 3.43Å |
| 297 | A | 92.5 | Very high | 89.3 | Confident | 58 Ų | 58 | 92.5 Ų | 92.5 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A293 E294 D301 | A293-A297 WeakPolarHBondContact O-CB 3.5Å; A293-A297 PolarHBondContact O-N 2.68Å; E294-A297 PolarHBondContact O-N 2.76Å; A297-D301 VanDerWaalsContact O-CB 3.22Å; A297-D301 WeakPolarHBondContact O-CB 3.5Å; A297-D301 PolarHBondContact O-N 2.92Å |
| 298 | Q | 92.4 | Very high | 90.6 | Very high | 109 Ų | 109 | 90.6 Ų | 90.6 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 174.2 | -70.4 | -173 | 20.2 | 0 | 0 | 112.4 | E294 I295 K296 V302 | E294-Q298 WeakPolarHBondContact O-CG 3.39Å; E294-Q298 PolarHBondContact O-N 3.27Å; E294-Q298 PolarHBondContact OE1-NE2 3.16Å; I295-Q298 PolarHBondContact O-N 3.35Å; K296-Q298 VanDerWaalsContact C-N 3.31Å; K296-Q298 PolarHBondContact O-N 2.83Å; Q298-V302 VanDerWaalsContact O-CB 3.31Å; Q298-V302 WeakPolarHBondContact O-CB 3.39Å; Q298-V302 VanDerWaalsContact O-CG2 3.23Å; Q298-V302 WeakPolarHBondContact O-CG2 3.35Å; Q298-V302 PolarHBondContact O-N 3.5Å |
| 299 | Y | 94.1 | Very high | 91.4 | Very high | 171 Ų | 171 | 90.8 Ų | 90.8 | 67% | 0.671 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 173.5 | -89.2 | -66 | 0 | 0 | 0 | 112.4 | I295 K296 A303 | I295-Y299 HydrophobicContact CG2-CD2 3.65Å; I295-Y299 HydrophobicContact CG2-CE2 3.66Å; I295-Y299 VanDerWaalsContact O-CD2 3.27Å; I295-Y299 WeakPolarHBondContact O-CD2 3.35Å; I295-Y299 PolarHBondContact O-N 3.42Å; K296-Y299 PolarHBondContact O-N 3.44Å; K296-Y299 VanDerWaalsContact O-N 3.14Å; Y299-A303 WeakPolarHBondContact O-CB 3.28Å; Y299-A303 PolarHBondContact O-N 3.06Å |
| 300 | D | 93.4 | Very high | 92 | Very high | 116 Ų | 116 | 86.3 Ų | 86.3 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 177.1 | -73.5 | -34.5 | 0 | 0 | 0 | 111.3 | K296 A303 S304 | K296-D300 PolarHBondContact O-N 3.43Å; D300-A303 PolarHBondContact O-N 3.33Å; D300-S304 WeakPolarHBondContact O-CB 3.48Å; D300-S304 PolarHBondContact O-N 2.85Å |
| 301 | D | 94.9 | Very high | 92.7 | Very high | 66 Ų | 66 | 86.6 Ų | 86.6 | 35% | 0.353 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62 | -52 | 173.5 | 171.4 | 34.2 | 0 | 0 | 0 | 111.6 | A297 A303 S304 R305 | A297-D301 VanDerWaalsContact O-CB 3.22Å; A297-D301 WeakPolarHBondContact O-CB 3.5Å; A297-D301 PolarHBondContact O-N 2.92Å; D301-A303 VanDerWaalsContact C-N 3.31Å; D301-A303 PolarHBondContact O-N 3.13Å; D301-S304 CarbonylContact O-C 3.6Å; D301-S304 WeakPolarHBondContact O-CA 3.33Å; D301-S304 WeakPolarHBondContact O-CB 3.48Å; D301-S304 PolarHBondContact O-N 3Å; D301-S304 PolarHBondContact O-OG 3.17Å; D301-R305 VanDerWaalsContact CG-NE 3.29Å; D301-R305 PolarHBondContact O-N 2.9Å; D301-R305 IonicContact OD1-CZ 3.73Å; D301-R305 IonicContact OD1-NE 3.65Å; D301-R305 PolarHBondContact OD1-NE 2.65Å; D301-R305 IonicContact OD1-NH2 3.96Å; D301-R305 IonicContact OD2-CZ 3.93Å; D301-R305 VanDerWaalsContact OD2-CZ 3.31Å; D301-R305 IonicContact OD2-NE 3.73Å; D301-R305 PolarHBondContact OD2-NE 2.95Å; D301-R305 VanDerWaalsContact OD2-NE 3.13Å; D301-R305 IonicContact OD2-NH2 2.74Å; D301-R305 PolarHBondContact OD2-NH2 2.84Å |
| 302 | V | 93.3 | Very high | 93.2 | Very high | 75 Ų | 75 | 87.1 Ų | 87.1 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 176.9 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | Q298 S304 R305 S306 | Q298-V302 VanDerWaalsContact O-CB 3.31Å; Q298-V302 WeakPolarHBondContact O-CB 3.39Å; Q298-V302 VanDerWaalsContact O-CG2 3.23Å; Q298-V302 WeakPolarHBondContact O-CG2 3.35Å; Q298-V302 PolarHBondContact O-N 3.5Å; V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 2.83Å; V302-R305 PolarHBondContact O-N 2.99Å; V302-S306 VanDerWaalsContact O-CB 3.25Å; V302-S306 WeakPolarHBondContact O-CB 3.39Å; V302-S306 PolarHBondContact O-N 3.36Å |
| 303 | A | 93.7 | Very high | 93.7 | Very high | 45 Ų | 45 | 91.5 Ų | 91.5 | 37% | 0.372 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.5 | -29.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y299 D300 D301 R307 | Y299-A303 WeakPolarHBondContact O-CB 3.28Å; Y299-A303 PolarHBondContact O-N 3.06Å; D300-A303 PolarHBondContact O-N 3.33Å; D301-A303 VanDerWaalsContact C-N 3.31Å; D301-A303 PolarHBondContact O-N 3.13Å; A303-R307 WeakPolarHBondContact O-CB 3.47Å; A303-R307 PolarHBondContact O-N 3.08Å; A303-R307 PolarHBondContact O-NH1 2.89Å; A303-R307 VanDerWaalsContact O-NH1 3.15Å |
| 304 | S | 94.9 | Very high | 94.1 | Very high | 54 Ų | 54 | 95.8 Ų | 95.8 | 38% | 0.378 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.6 | -45.7 | 172.7 | 86.6 | 0 | 0 | 0 | 0 | 111.8 | D300 D301 V302 R307 A308 | D300-S304 WeakPolarHBondContact O-CB 3.48Å; D300-S304 PolarHBondContact O-N 2.85Å; D301-S304 CarbonylContact O-C 3.6Å; D301-S304 WeakPolarHBondContact O-CA 3.33Å; D301-S304 WeakPolarHBondContact O-CB 3.48Å; D301-S304 PolarHBondContact O-N 3Å; D301-S304 PolarHBondContact O-OG 3.17Å; V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 2.83Å; S304-R307 PolarHBondContact O-N 3.46Å; S304-A308 WeakPolarHBondContact O-CB 3.32Å; S304-A308 PolarHBondContact O-N 3.12Å |
| 305 | R | 94.7 | Very high | 94.4 | Very high | 119 Ų | 119 | 96.4 Ų | 96.4 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 179.1 | -73.2 | -170.3 | -85.1 | 128.5 | -10.8 | 111.3 | D301 V302 R307 A308 E309 | D301-R305 VanDerWaalsContact CG-NE 3.29Å; D301-R305 PolarHBondContact O-N 2.9Å; D301-R305 IonicContact OD1-CZ 3.73Å; D301-R305 IonicContact OD1-NE 3.65Å; D301-R305 PolarHBondContact OD1-NE 2.65Å; D301-R305 IonicContact OD1-NH2 3.96Å; D301-R305 IonicContact OD2-CZ 3.93Å; D301-R305 VanDerWaalsContact OD2-CZ 3.31Å; D301-R305 IonicContact OD2-NE 3.73Å; D301-R305 PolarHBondContact OD2-NE 2.95Å; D301-R305 VanDerWaalsContact OD2-NE 3.13Å; D301-R305 IonicContact OD2-NH2 2.74Å; D301-R305 PolarHBondContact OD2-NH2 2.84Å; V302-R305 PolarHBondContact O-N 2.99Å; R305-R307 VanDerWaalsContact C-N 3.28Å; R305-R307 PolarHBondContact O-N 3.06Å; R305-A308 PolarHBondContact O-N 3.33Å; R305-A308 VanDerWaalsContact O-N 3.09Å; R305-E309 WeakPolarHBondContact O-CB 3.48Å; R305-E309 VanDerWaalsContact O-CG 3.26Å; R305-E309 WeakPolarHBondContact O-CG 3.34Å; R305-E309 PolarHBondContact O-N 2.64Å |
| 306 | S | 95.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 95.8 Ų | 95.8 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.6 | -38.2 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | V302 A310 | V302-S306 VanDerWaalsContact O-CB 3.25Å; V302-S306 WeakPolarHBondContact O-CB 3.39Å; V302-S306 PolarHBondContact O-N 3.36Å; S306-A310 VanDerWaalsContact O-CB 3.3Å; S306-A310 WeakPolarHBondContact O-CB 3.42Å; S306-A310 PolarHBondContact O-N 3.48Å |
| 307 | R | 95.3 | Very high | 94.9 | Very high | 145 Ų | 145 | 94.3 Ų | 94.3 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 173.5 | -172.1 | -174.9 | -59.9 | 94.8 | 2.9 | 111.8 | A303 S304 R305 E309 A310 E311 | A303-R307 WeakPolarHBondContact O-CB 3.47Å; A303-R307 PolarHBondContact O-N 3.08Å; A303-R307 PolarHBondContact O-NH1 2.89Å; A303-R307 VanDerWaalsContact O-NH1 3.15Å; S304-R307 PolarHBondContact O-N 3.46Å; R305-R307 VanDerWaalsContact C-N 3.28Å; R305-R307 PolarHBondContact O-N 3.06Å; R307-E309 VanDerWaalsContact C-N 3.35Å; R307-E309 PolarHBondContact O-N 3.05Å; R307-A310 PolarHBondContact O-N 2.9Å; R307-E311 WeakPolarHBondContact O-CB 3.4Å; R307-E311 WeakPolarHBondContact O-CG 3.34Å; R307-E311 PolarHBondContact O-N 3.44Å |
| 308 | A | 95.3 | Very high | 95.1 | Very high | 52 Ų | 52 | 94.8 Ų | 94.8 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S304 R305 S312 | S304-A308 WeakPolarHBondContact O-CB 3.32Å; S304-A308 PolarHBondContact O-N 3.12Å; R305-A308 PolarHBondContact O-N 3.33Å; R305-A308 VanDerWaalsContact O-N 3.09Å; A308-S312 WeakPolarHBondContact O-CB 3.47Å; A308-S312 PolarHBondContact O-N 2.93Å |
| 309 | E | 94.8 | Very high | 95.3 | Very high | 121 Ų | 121 | 95.3 Ų | 95.3 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.1 | -49.3 | 173.6 | -73.7 | 163 | -159.9 | 0 | 0 | 111.3 | R305 R307 S312 W313 | R305-E309 WeakPolarHBondContact O-CB 3.48Å; R305-E309 VanDerWaalsContact O-CG 3.26Å; R305-E309 WeakPolarHBondContact O-CG 3.34Å; R305-E309 PolarHBondContact O-N 2.64Å; R307-E309 VanDerWaalsContact C-N 3.35Å; R307-E309 PolarHBondContact O-N 3.05Å; E309-S312 PolarHBondContact O-N 3.23Å; E309-W313 WeakPolarHBondContact O-CB 3.29Å; E309-W313 PolarHBondContact O-N 3.34Å |
| 310 | A | 95.3 | Very high | 95.4 | Very high | 41 Ų | 41 | 91.6 Ų | 91.6 | 34% | 0.339 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S306 R307 S312 W313 Y314 | S306-A310 VanDerWaalsContact O-CB 3.3Å; S306-A310 WeakPolarHBondContact O-CB 3.42Å; S306-A310 PolarHBondContact O-N 3.48Å; R307-A310 PolarHBondContact O-N 2.9Å; A310-S312 VanDerWaalsContact C-N 3.35Å; A310-S312 PolarHBondContact O-N 3.4Å; A310-W313 PolarHBondContact O-N 2.87Å; A310-Y314 WeakPolarHBondContact O-CD2 3.46Å; A310-Y314 PolarHBondContact O-N 3.04Å |
| 311 | E | 95.9 | Very high | 95.5 | Very high | 81 Ų | 81 | 91.9 Ų | 91.9 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.1 | -70.7 | 176.1 | -163.1 | 0 | 0 | 112.3 | R307 Y314 R315 | R307-E311 WeakPolarHBondContact O-CB 3.4Å; R307-E311 WeakPolarHBondContact O-CG 3.34Å; R307-E311 PolarHBondContact O-N 3.44Å; E311-Y314 PolarHBondContact O-N 3.45Å; E311-R315 VanDerWaalsContact CB-NH1 3.27Å; E311-R315 WeakPolarHBondContact O-CB 3.38Å; E311-R315 VanDerWaalsContact O-CG 3.25Å; E311-R315 WeakPolarHBondContact O-CG 3.29Å; E311-R315 PolarHBondContact O-N 2.98Å; E311-R315 IonicContact OE2-CZ 3.79Å; E311-R315 IonicContact OE2-NH1 2.76Å; E311-R315 IonicContact OE2-NH2 3.83Å; E311-R315 PolarHBondContact OE2-NH2 2.88Å |
| 312 | S | 95 | Very high | 95.6 | Very high | 68 Ų | 68 | 95 Ų | 95 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.3 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | A308 E309 A310 R315 S316 | A308-S312 WeakPolarHBondContact O-CB 3.47Å; A308-S312 PolarHBondContact O-N 2.93Å; E309-S312 PolarHBondContact O-N 3.23Å; A310-S312 VanDerWaalsContact C-N 3.35Å; A310-S312 PolarHBondContact O-N 3.4Å; S312-R315 PolarHBondContact O-N 3.12Å; S312-S316 WeakPolarHBondContact O-CB 3.41Å; S312-S316 PolarHBondContact O-N 3.37Å |
| 313 | W | 96.3 | Very high | 95.7 | Very high | 151 Ų | 151 | 93.4 Ų | 93.4 | 57% | 0.572 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.6 | -45.2 | 175.1 | -172.3 | 93.4 | 0 | 0 | 0 | 111.8 | E309 A310 S316 K317 | E309-W313 WeakPolarHBondContact O-CB 3.29Å; E309-W313 PolarHBondContact O-N 3.34Å; A310-W313 PolarHBondContact O-N 2.87Å; W313-S316 PolarHBondContact O-N 2.92Å; W313-K317 HydrophobicContact CD2-CG 4.32Å; W313-K317 HydrophobicContact CE3-CG 4.4Å; W313-K317 HydrophobicContact CH2-CG 4.27Å; W313-K317 HydrophobicContact CZ2-CG 4.19Å; W313-K317 HydrophobicContact CZ3-CG 4.37Å; W313-K317 PolarHBondContact O-N 2.68Å |
| 314 | Y | 96.3 | Very high | 95.8 | Very high | 148 Ų | 148 | 92.9 Ų | 92.9 | 58% | 0.58 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 174.8 | -76.6 | -60 | 0 | 0 | 0 | 112.7 | A310 E311 K317 C318 | A310-Y314 WeakPolarHBondContact O-CD2 3.46Å; A310-Y314 PolarHBondContact O-N 3.04Å; E311-Y314 PolarHBondContact O-N 3.45Å; Y314-K317 PolarHBondContact O-N 3.45Å; Y314-C318 WeakPolarHBondContact O-CB 3.27Å; Y314-C318 PolarHBondContact O-N 3.19Å; Y314-C318 PolarHBondContact O-SG 2.95Å |
| 315 | R | 96.5 | Very high | 95.9 | Very high | 127 Ų | 127 | 94.7 Ų | 94.7 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.4 | -52.5 | 172.9 | -73.5 | 171.9 | -166 | 109.3 | 5.7 | 110.9 | E311 S312 K317 C318 E319 | E311-R315 VanDerWaalsContact CB-NH1 3.27Å; E311-R315 WeakPolarHBondContact O-CB 3.38Å; E311-R315 VanDerWaalsContact O-CG 3.25Å; E311-R315 WeakPolarHBondContact O-CG 3.29Å; E311-R315 PolarHBondContact O-N 2.98Å; E311-R315 IonicContact OE2-CZ 3.79Å; E311-R315 IonicContact OE2-NH1 2.76Å; E311-R315 IonicContact OE2-NH2 3.83Å; E311-R315 PolarHBondContact OE2-NH2 2.88Å; S312-R315 PolarHBondContact O-N 3.12Å; R315-K317 PolarHBondContact O-N 3.24Å; R315-C318 WeakPolarHBondContact O-CB 3.46Å; R315-C318 PolarHBondContact O-N 3.08Å; R315-C318 VanDerWaalsContact O-N 3.1Å; R315-E319 WeakPolarHBondContact O-CG 3.32Å; R315-E319 PolarHBondContact O-N 3.41Å |
| 316 | S | 96.9 | Very high | 96.1 | Very high | 67 Ų | 67 | 93.9 Ų | 93.9 | 47% | 0.469 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 112 | S312 W313 C318 E319 E320 | S312-S316 WeakPolarHBondContact O-CB 3.41Å; S312-S316 PolarHBondContact O-N 3.37Å; W313-S316 PolarHBondContact O-N 2.92Å; S316-C318 PolarHBondContact O-N 3.13Å; S316-E319 PolarHBondContact O-N 3.36Å; S316-E320 WeakPolarHBondContact O-CB 3.4Å; S316-E320 PolarHBondContact O-N 3.23Å |
| 317 | K | 97.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.3 | -33.1 | 175.8 | -75.8 | -72.4 | 165.8 | -162.4 | 0 | 113.5 | W313 Y314 R315 E320 M321 | W313-K317 HydrophobicContact CD2-CG 4.32Å; W313-K317 HydrophobicContact CE3-CG 4.4Å; W313-K317 HydrophobicContact CH2-CG 4.27Å; W313-K317 HydrophobicContact CZ2-CG 4.19Å; W313-K317 HydrophobicContact CZ3-CG 4.37Å; W313-K317 PolarHBondContact O-N 2.68Å; Y314-K317 PolarHBondContact O-N 3.45Å; R315-K317 PolarHBondContact O-N 3.24Å; K317-E320 WeakPolarHBondContact CD-OE2 3.46Å; K317-E320 WeakPolarHBondContact CE-OE2 3.35Å; K317-E320 IonicContact NZ-OE1 3.79Å; K317-E320 IonicContact NZ-OE2 2.7Å; K317-E320 PolarHBondContact NZ-OE2 3.11Å; K317-M321 VanDerWaalsContact O-CB 3.27Å; K317-M321 WeakPolarHBondContact O-CB 3.43Å; K317-M321 PolarHBondContact O-N 3.25Å |
| 318 | C | 95.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 96 Ų | 96 | 47% | 0.466 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 172.2 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | Y314 R315 S316 K322 | Y314-C318 WeakPolarHBondContact O-CB 3.27Å; Y314-C318 PolarHBondContact O-N 3.19Å; Y314-C318 PolarHBondContact O-SG 2.95Å; R315-C318 WeakPolarHBondContact O-CB 3.46Å; R315-C318 PolarHBondContact O-N 3.08Å; R315-C318 VanDerWaalsContact O-N 3.1Å; S316-C318 PolarHBondContact O-N 3.13Å; C318-K322 WeakPolarHBondContact O-CD 3.47Å; C318-K322 WeakPolarHBondContact O-CG 3.32Å; C318-K322 PolarHBondContact O-N 3.03Å |
| 319 | E | 96.8 | Very high | 96.3 | Very high | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -74.2 | -42.8 | 177.4 | -73.8 | 166.1 | -169 | 0 | 0 | 112 | R315 S316 M321 K322 A323 | R315-E319 WeakPolarHBondContact O-CG 3.32Å; R315-E319 PolarHBondContact O-N 3.41Å; S316-E319 PolarHBondContact O-N 3.36Å; E319-M321 VanDerWaalsContact C-N 3.33Å; E319-M321 PolarHBondContact O-N 3.02Å; E319-K322 PolarHBondContact O-N 2.97Å; E319-A323 WeakPolarHBondContact O-CB 3.47Å; E319-A323 PolarHBondContact O-N 3.42Å |
| 320 | E | 96.6 | Very high | 96.4 | Very high | 93 Ų | 93 | 93.9 Ų | 93.9 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.2 | -45 | 172.2 | -172.5 | -173.6 | 171.2 | 0 | 0 | 111.3 | S316 K317 A323 T324 | S316-E320 WeakPolarHBondContact O-CB 3.4Å; S316-E320 PolarHBondContact O-N 3.23Å; K317-E320 WeakPolarHBondContact CD-OE2 3.46Å; K317-E320 WeakPolarHBondContact CE-OE2 3.35Å; K317-E320 IonicContact NZ-OE1 3.79Å; K317-E320 IonicContact NZ-OE2 2.7Å; K317-E320 PolarHBondContact NZ-OE2 3.11Å; E320-A323 CarbonylContact O-C 3.57Å; E320-A323 PolarHBondContact O-N 3.33Å; E320-T324 PolarHBondContact O-N 2.82Å; E320-T324 PolarHBondContact O-OG1 3.29Å |
| 321 | M | 95.2 | Very high | 96.5 | Very high | 122 Ų | 122 | 94.8 Ų | 94.8 | 60% | 0.601 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.9 | -39.2 | 176.6 | -173.8 | 63.3 | 72.3 | 0 | 0 | 112.4 | K317 E319 A323 T324 V325 | K317-M321 VanDerWaalsContact O-CB 3.27Å; K317-M321 WeakPolarHBondContact O-CB 3.43Å; K317-M321 PolarHBondContact O-N 3.25Å; E319-M321 VanDerWaalsContact C-N 3.33Å; E319-M321 PolarHBondContact O-N 3.02Å; M321-A323 VanDerWaalsContact C-N 3.32Å; M321-T324 WeakPolarHBondContact CA-OG1 3.34Å; M321-T324 PolarHBondContact O-OG1 3.32Å; M321-V325 WeakPolarHBondContact O-CB 3.47Å; M321-V325 VanDerWaalsContact O-CG2 3.26Å; M321-V325 WeakPolarHBondContact O-CG2 3.29Å; M321-V325 PolarHBondContact O-N 3.12Å |
| 322 | K | 96.4 | Very high | 96.6 | Very high | 133 Ų | 133 | 96.8 Ų | 96.8 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 171.4 | -72.5 | 162.6 | -172.2 | 172.8 | 0 | 110.7 | C318 E319 V325 I326 | C318-K322 WeakPolarHBondContact O-CD 3.47Å; C318-K322 WeakPolarHBondContact O-CG 3.32Å; C318-K322 PolarHBondContact O-N 3.03Å; E319-K322 PolarHBondContact O-N 2.97Å; K322-V325 PolarHBondContact O-N 2.92Å; K322-I326 WeakPolarHBondContact O-CD1 3.18Å; K322-I326 VanDerWaalsContact O-CG1 3.26Å; K322-I326 WeakPolarHBondContact O-CG1 3.49Å; K322-I326 PolarHBondContact O-N 2.99Å |
| 323 | A | 96.6 | Very high | 96.7 | Very high | 41 Ų | 41 | 99.4 Ų | 99.4 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E319 E320 M321 R327 | E319-A323 WeakPolarHBondContact O-CB 3.47Å; E319-A323 PolarHBondContact O-N 3.42Å; E320-A323 CarbonylContact O-C 3.57Å; E320-A323 PolarHBondContact O-N 3.33Å; M321-A323 VanDerWaalsContact C-N 3.32Å; A323-R327 WeakPolarHBondContact O-CB 3.47Å; A323-R327 VanDerWaalsContact O-CG 3.32Å; A323-R327 WeakPolarHBondContact O-CG 3.39Å; A323-R327 PolarHBondContact O-N 2.9Å; A323-R327 PolarHBondContact O-NE 2.94Å |
| 324 | T | 96.3 | Very high | 96.8 | Very high | 33 Ų | 33 | 97 Ų | 97 | 20% | 0.202 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.1 | -47.3 | 169.9 | 53 | 0 | 0 | 0 | 0 | 110.8 | E320 M321 I326 R327 H328 | E320-T324 PolarHBondContact O-N 2.82Å; E320-T324 PolarHBondContact O-OG1 3.29Å; M321-T324 WeakPolarHBondContact CA-OG1 3.34Å; M321-T324 PolarHBondContact O-OG1 3.32Å; T324-I326 VanDerWaalsContact C-N 3.35Å; T324-I326 PolarHBondContact O-N 3.41Å; T324-R327 VanDerWaalsContact CG2-NH2 3.26Å; T324-R327 PolarHBondContact O-N 2.9Å; T324-H328 PolarHBondContact O-CD2 2.91Å; T324-H328 PolarHBondContact O-N 2.83Å |
| 325 | V | 97.1 | Very high | 96.8 | Very high | 93 Ų | 93 | 92.8 Ų | 92.8 | 56% | 0.564 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.5 | -43.1 | 178.9 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | M321 K322 H328 G329 | M321-V325 WeakPolarHBondContact O-CB 3.47Å; M321-V325 VanDerWaalsContact O-CG2 3.26Å; M321-V325 WeakPolarHBondContact O-CG2 3.29Å; M321-V325 PolarHBondContact O-N 3.12Å; K322-V325 PolarHBondContact O-N 2.92Å; V325-H328 PolarHBondContact O-N 3.5Å; V325-G329 PolarHBondContact O-N 3.39Å |
| 326 | I | 97.3 | Very high | 96.8 | Very high | 102 Ų | 102 | 93.4 Ų | 93.4 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 175.1 | -68.9 | 163.8 | 0 | 0 | 0 | 110.8 | K322 T324 H328 G329 E330 | K322-I326 WeakPolarHBondContact O-CD1 3.18Å; K322-I326 VanDerWaalsContact O-CG1 3.26Å; K322-I326 WeakPolarHBondContact O-CG1 3.49Å; K322-I326 PolarHBondContact O-N 2.99Å; T324-I326 VanDerWaalsContact C-N 3.35Å; T324-I326 PolarHBondContact O-N 3.41Å; I326-H328 VanDerWaalsContact C-N 3.31Å; I326-H328 PolarHBondContact O-N 3.1Å; I326-G329 PolarHBondContact O-N 2.88Å; I326-E330 PolarHBondContact O-N 3.3Å |
| 327 | R | 96.4 | Very high | 96.9 | Very high | 137 Ų | 137 | 94.6 Ų | 94.6 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 177.4 | -77.6 | 177.3 | -72.9 | 162.1 | -7.3 | 112.4 | A323 T324 E330 T331 | A323-R327 WeakPolarHBondContact O-CB 3.47Å; A323-R327 VanDerWaalsContact O-CG 3.32Å; A323-R327 WeakPolarHBondContact O-CG 3.39Å; A323-R327 PolarHBondContact O-N 2.9Å; A323-R327 PolarHBondContact O-NE 2.94Å; T324-R327 VanDerWaalsContact CG2-NH2 3.26Å; T324-R327 PolarHBondContact O-N 2.9Å; R327-E330 PolarHBondContact O-N 3.33Å; R327-T331 WeakPolarHBondContact O-CG2 3.35Å; R327-T331 PolarHBondContact O-N 2.92Å; R327-T331 PolarHBondContact O-OG1 3.2Å |
| 328 | H | 96.6 | Very high | 96.9 | Very high | 123 Ų | 123 | 95.3 Ų | 95.3 | 57% | 0.569 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | 176.7 | -69.2 | -50.5 | 0 | 0 | 0 | 112 | T324 V325 I326 E330 T331 L332 | T324-H328 PolarHBondContact O-CD2 2.91Å; T324-H328 PolarHBondContact O-N 2.83Å; V325-H328 PolarHBondContact O-N 3.5Å; I326-H328 VanDerWaalsContact C-N 3.31Å; I326-H328 PolarHBondContact O-N 3.1Å; H328-E330 VanDerWaalsContact C-N 3.33Å; H328-E330 PolarHBondContact O-N 2.99Å; H328-T331 WeakPolarHBondContact CA-OG1 3.46Å; H328-T331 PolarHBondContact O-N 3.4Å; H328-T331 PolarHBondContact O-OG1 3.12Å; H328-L332 WeakPolarHBondContact O-CB 3.24Å; H328-L332 PolarHBondContact O-N 3.1Å |
| 329 | G | 97.9 | Very high | 97 | Very high | 42 Ų | 42 | 96.7 Ų | 96.7 | 43% | 0.433 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V325 I326 L332 R333 | V325-G329 PolarHBondContact O-N 3.39Å; I326-G329 PolarHBondContact O-N 2.88Å; G329-L332 PolarHBondContact O-N 3.46Å; G329-R333 WeakPolarHBondContact O-CB 3.27Å; G329-R333 PolarHBondContact O-N 2.92Å |
| 330 | E | 97 | Very high | 97 | Very high | 86 Ų | 86 | 94.1 Ų | 94.1 | 40% | 0.402 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 173.6 | -73.2 | -179.8 | -167.1 | 0 | 0 | 113.4 | I326 R327 H328 L332 R333 R334 | I326-E330 PolarHBondContact O-N 3.3Å; R327-E330 PolarHBondContact O-N 3.33Å; H328-E330 VanDerWaalsContact C-N 3.33Å; H328-E330 PolarHBondContact O-N 2.99Å; E330-L332 VanDerWaalsContact C-N 3.32Å; E330-R333 PolarHBondContact O-N 3.3Å; E330-R334 PolarHBondContact O-N 2.91Å; E330-R334 PolarHBondContact O-NE 3.47Å; E330-R334 IonicContact OE2-NH2 2.66Å |
| 331 | T | 97.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 93.2 Ų | 93.2 | 37% | 0.368 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | R327 H328 R333 R334 T335 | R327-T331 WeakPolarHBondContact O-CG2 3.35Å; R327-T331 PolarHBondContact O-N 2.92Å; R327-T331 PolarHBondContact O-OG1 3.2Å; H328-T331 WeakPolarHBondContact CA-OG1 3.46Å; H328-T331 PolarHBondContact O-N 3.4Å; H328-T331 PolarHBondContact O-OG1 3.12Å; T331-R333 VanDerWaalsContact C-N 3.34Å; T331-R334 PolarHBondContact O-N 3.26Å; T331-T335 PolarHBondContact O-N 3.26Å; T331-T335 PolarHBondContact O-OG1 2.68Å |
| 332 | L | 97.6 | Very high | 97.2 | Very high | 123 Ų | 123 | 92.1 Ų | 92.1 | 64% | 0.644 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.9 | -33.7 | 177 | -175.6 | 62.3 | 0 | 0 | 0 | 112.3 | H328 G329 E330 T335 K336 | H328-L332 WeakPolarHBondContact O-CB 3.24Å; H328-L332 PolarHBondContact O-N 3.1Å; G329-L332 PolarHBondContact O-N 3.46Å; E330-L332 VanDerWaalsContact C-N 3.32Å; L332-T335 PolarHBondContact O-OG1 2.88Å; L332-K336 WeakPolarHBondContact O-CB 3.49Å; L332-K336 PolarHBondContact O-N 3.31Å; L332-K336 VanDerWaalsContact O-N 3.09Å |
| 333 | R | 97.8 | Very high | 97.2 | Very high | 123 Ų | 123 | 89.4 Ų | 89.4 | 46% | 0.464 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 171.8 | -174.8 | -176.6 | 64.6 | 74.1 | 3.9 | 111.2 | G329 E330 T331 K336 E337 | G329-R333 WeakPolarHBondContact O-CB 3.27Å; G329-R333 PolarHBondContact O-N 2.92Å; E330-R333 PolarHBondContact O-N 3.3Å; T331-R333 VanDerWaalsContact C-N 3.34Å; R333-K336 PolarHBondContact O-N 2.89Å; R333-E337 VanDerWaalsContact CG-OE1 3.22Å; R333-E337 WeakPolarHBondContact CG-OE1 3.47Å; R333-E337 IonicContact CZ-OE1 3.13Å; R333-E337 IonicContact CZ-OE2 2.67Å; R333-E337 IonicContact NH1-OE1 2.85Å; R333-E337 PolarHBondContact NH1-OE1 2.74Å; R333-E337 IonicContact NH1-OE2 3.88Å; R333-E337 PolarHBondContact NH1-OE2 3.42Å; R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.97Å |
| 334 | R | 97.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 93.6 Ų | 93.6 | 38% | 0.377 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 179.2 | -79.9 | -179.9 | -90.4 | 112.2 | -6.3 | 112.2 | E330 T331 K336 E337 E338 | E330-R334 PolarHBondContact O-N 2.91Å; E330-R334 PolarHBondContact O-NE 3.47Å; E330-R334 IonicContact OE2-NH2 2.66Å; T331-R334 PolarHBondContact O-N 3.26Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-K336 PolarHBondContact O-N 3.38Å; R334-E337 WeakPolarHBondContact O-CB 3.36Å; R334-E337 PolarHBondContact O-N 3.03Å; R334-E338 WeakPolarHBondContact O-CG 3.36Å; R334-E338 PolarHBondContact O-N 2.88Å |
| 335 | T | 95.9 | Very high | 97.4 | Very high | 59 Ų | 59 | 96.2 Ų | 96.2 | 36% | 0.362 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | T331 L332 E338 I339 | T331-T335 PolarHBondContact O-N 3.26Å; T331-T335 PolarHBondContact O-OG1 2.68Å; L332-T335 PolarHBondContact O-OG1 2.88Å; T335-E338 PolarHBondContact O-N 2.84Å; T335-I339 WeakPolarHBondContact O-CB 3.38Å; T335-I339 WeakPolarHBondContact O-CD1 3.42Å; T335-I339 WeakPolarHBondContact O-CG1 3.46Å; T335-I339 PolarHBondContact O-N 2.87Å |
| 336 | K | 98.1 | Very high | 97.4 | Very high | 140 Ų | 140 | 96.5 Ų | 96.5 | 61% | 0.609 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.3 | -37.2 | 171.6 | -176 | 176.9 | -179.6 | 179.3 | 0 | 112.6 | L332 R333 R334 N340 | L332-K336 WeakPolarHBondContact O-CB 3.49Å; L332-K336 PolarHBondContact O-N 3.31Å; L332-K336 VanDerWaalsContact O-N 3.09Å; R333-K336 PolarHBondContact O-N 2.89Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-K336 PolarHBondContact O-N 3.38Å; K336-N340 WeakPolarHBondContact O-CB 3.46Å; K336-N340 PolarHBondContact O-N 3.33Å; K336-N340 PolarHBondContact O-ND2 2.91Å |
| 337 | E | 97.4 | Very high | 97.4 | Very high | 92 Ų | 92 | 98 Ų | 98 | 43% | 0.43 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 175.7 | -75.7 | 161.6 | -169.3 | 0 | 0 | 111.9 | R333 R334 N340 E341 | R333-E337 VanDerWaalsContact CG-OE1 3.22Å; R333-E337 WeakPolarHBondContact CG-OE1 3.47Å; R333-E337 IonicContact CZ-OE1 3.13Å; R333-E337 IonicContact CZ-OE2 2.67Å; R333-E337 IonicContact NH1-OE1 2.85Å; R333-E337 PolarHBondContact NH1-OE1 2.74Å; R333-E337 IonicContact NH1-OE2 3.88Å; R333-E337 PolarHBondContact NH1-OE2 3.42Å; R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.97Å; R334-E337 WeakPolarHBondContact O-CB 3.36Å; R334-E337 PolarHBondContact O-N 3.03Å; E337-N340 WeakPolarHBondContact O-CB 3.47Å; E337-N340 PolarHBondContact O-N 2.92Å; E337-E341 PolarHBondContact O-N 3.48Å |
| 338 | E | 97.5 | Very high | 97.5 | Very high | 112 Ų | 112 | 97.6 Ų | 97.6 | 52% | 0.523 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 172 | -69.1 | 155.8 | -159.2 | 0 | 0 | 111.5 | R334 T335 N340 E341 L342 | R334-E338 WeakPolarHBondContact O-CG 3.36Å; R334-E338 PolarHBondContact O-N 2.88Å; T335-E338 PolarHBondContact O-N 2.84Å; E338-N340 VanDerWaalsContact C-N 3.29Å; E338-N340 PolarHBondContact O-N 3.2Å; E338-E341 PolarHBondContact O-N 2.63Å; E338-L342 WeakPolarHBondContact O-CG 3.49Å; E338-L342 PolarHBondContact O-N 3.33Å |
| 339 | I | 97.5 | Very high | 97.5 | Very high | 97 Ų | 97 | 95.8 Ų | 95.8 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 174.7 | -72.1 | 163.8 | 0 | 0 | 0 | 111.1 | T335 N343 | T335-I339 WeakPolarHBondContact O-CB 3.38Å; T335-I339 WeakPolarHBondContact O-CD1 3.42Å; T335-I339 WeakPolarHBondContact O-CG1 3.46Å; T335-I339 PolarHBondContact O-N 2.87Å; I339-N343 WeakPolarHBondContact O-CB 3.24Å; I339-N343 PolarHBondContact O-N 3.33Å; I339-N343 PolarHBondContact O-ND2 3.47Å |
| 340 | N | 97.7 | Very high | 97.4 | Very high | 66 Ų | 66 | 97.1 Ų | 97.1 | 35% | 0.353 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 177.4 | -75.4 | -32.6 | 0 | 0 | 0 | 112.4 | K336 E337 E338 N343 R344 | K336-N340 WeakPolarHBondContact O-CB 3.46Å; K336-N340 PolarHBondContact O-N 3.33Å; K336-N340 PolarHBondContact O-ND2 2.91Å; E337-N340 WeakPolarHBondContact O-CB 3.47Å; E337-N340 PolarHBondContact O-N 2.92Å; E338-N340 VanDerWaalsContact C-N 3.29Å; E338-N340 PolarHBondContact O-N 3.2Å; N340-N343 PolarHBondContact O-N 3.45Å; N340-R344 WeakPolarHBondContact O-CG 3.39Å; N340-R344 PolarHBondContact O-N 3.45Å |
| 341 | E | 97.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 95.4 Ų | 95.4 | 34% | 0.341 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76 | -35.3 | 177.8 | -168.6 | 51.6 | -140.9 | 0 | 0 | 112.8 | E337 E338 N343 R344 M345 R348 | E337-E341 PolarHBondContact O-N 3.48Å; E338-E341 PolarHBondContact O-N 2.63Å; E341-N343 VanDerWaalsContact C-N 3.29Å; E341-N343 PolarHBondContact O-N 3.16Å; E341-R344 PolarHBondContact O-N 2.98Å; E341-R344 VanDerWaalsContact O-N 3.14Å; E341-R344 WeakPolarHBondContact OE2-CD 3.46Å; E341-R344 IonicContact OE2-CZ 3.72Å; E341-R344 IonicContact OE2-NE 2.75Å; E341-R344 IonicContact OE2-NH1 3.88Å; E341-R344 PolarHBondContact OE2-NH1 3.14Å; E341-M345 WeakPolarHBondContact O-CB 3.32Å; E341-M345 PolarHBondContact O-N 2.75Å; E341-R348 IonicContact OE1-CZ 3.31Å; E341-R348 IonicContact OE1-NH2 3.44Å; E341-R348 PolarHBondContact OE1-NH2 3.49Å |
| 342 | L | 97.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 168.6 | -70.5 | 172.7 | 0 | 0 | 0 | 111 | E338 R344 M345 I346 | E338-L342 WeakPolarHBondContact O-CG 3.49Å; E338-L342 PolarHBondContact O-N 3.33Å; L342-R344 PolarHBondContact O-N 3.48Å; L342-M345 PolarHBondContact O-N 2.66Å; L342-I346 VanDerWaalsContact O-CG1 3.26Å; L342-I346 WeakPolarHBondContact O-CG1 3.5Å; L342-I346 PolarHBondContact O-N 3.14Å |
| 343 | N | 97.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 96.3 Ų | 96.3 | 41% | 0.406 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 173.3 | -79 | -47.4 | 0 | 0 | 0 | 112.8 | I339 N340 E341 I346 Q347 | I339-N343 WeakPolarHBondContact O-CB 3.24Å; I339-N343 PolarHBondContact O-N 3.33Å; I339-N343 PolarHBondContact O-ND2 3.47Å; N340-N343 PolarHBondContact O-N 3.45Å; E341-N343 VanDerWaalsContact C-N 3.29Å; E341-N343 PolarHBondContact O-N 3.16Å; N343-I346 PolarHBondContact O-N 3.34Å; N343-Q347 WeakPolarHBondContact O-CB 3.48Å; N343-Q347 VanDerWaalsContact O-CG 3.3Å; N343-Q347 WeakPolarHBondContact O-CG 3.49Å; N343-Q347 PolarHBondContact O-N 3.36Å |
| 344 | R | 98.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 94.5 Ų | 94.5 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 173.2 | -69 | -169.4 | -161.3 | 94.3 | 5.8 | 112.6 | N340 E341 L342 Q347 R348 | N340-R344 WeakPolarHBondContact O-CG 3.39Å; N340-R344 PolarHBondContact O-N 3.45Å; E341-R344 PolarHBondContact O-N 2.98Å; E341-R344 VanDerWaalsContact O-N 3.14Å; E341-R344 WeakPolarHBondContact OE2-CD 3.46Å; E341-R344 IonicContact OE2-CZ 3.72Å; E341-R344 IonicContact OE2-NE 2.75Å; E341-R344 IonicContact OE2-NH1 3.88Å; E341-R344 PolarHBondContact OE2-NH1 3.14Å; L342-R344 PolarHBondContact O-N 3.48Å; R344-Q347 PolarHBondContact O-N 2.91Å; R344-R348 WeakPolarHBondContact O-CG 3.34Å; R344-R348 PolarHBondContact O-N 3.09Å; R344-R348 PolarHBondContact O-NE 3.3Å |
| 345 | M | 97.9 | Very high | 97.5 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 175.4 | -169.7 | -178.3 | -67.5 | 0 | 0 | 111 | E341 L342 Q347 R348 L349 | E341-M345 WeakPolarHBondContact O-CB 3.32Å; E341-M345 PolarHBondContact O-N 2.75Å; L342-M345 PolarHBondContact O-N 2.66Å; M345-Q347 VanDerWaalsContact C-N 3.33Å; M345-Q347 PolarHBondContact O-N 2.86Å; M345-R348 PolarHBondContact O-N 3.02Å; M345-L349 HydrophobicContact CG-CD1 4.03Å; M345-L349 WeakPolarHBondContact O-CB 3.43Å; M345-L349 WeakPolarHBondContact O-CG 3.4Å; M345-L349 PolarHBondContact O-N 2.89Å |
| 346 | I | 97.6 | Very high | 97.4 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.1 | -69.3 | 162.6 | 0 | 0 | 0 | 111.3 | L342 N343 T350 | L342-I346 VanDerWaalsContact O-CG1 3.26Å; L342-I346 WeakPolarHBondContact O-CG1 3.5Å; L342-I346 PolarHBondContact O-N 3.14Å; N343-I346 PolarHBondContact O-N 3.34Å; I346-T350 VanDerWaalsContact O-CB 3.29Å; I346-T350 WeakPolarHBondContact O-CB 3.2Å; I346-T350 PolarHBondContact O-N 3.37Å; I346-T350 PolarHBondContact O-OG1 2.91Å |
| 347 | Q | 97.5 | Very high | 97.4 | Very high | 135 Ų | 135 | 92.2 Ų | 92.2 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 176.2 | -75.2 | 171.9 | -6.4 | 0 | 0 | 112.2 | N343 R344 M345 T350 A351 | N343-Q347 WeakPolarHBondContact O-CB 3.48Å; N343-Q347 VanDerWaalsContact O-CG 3.3Å; N343-Q347 WeakPolarHBondContact O-CG 3.49Å; N343-Q347 PolarHBondContact O-N 3.36Å; R344-Q347 PolarHBondContact O-N 2.91Å; M345-Q347 VanDerWaalsContact C-N 3.33Å; M345-Q347 PolarHBondContact O-N 2.86Å; Q347-T350 PolarHBondContact O-N 2.9Å; Q347-A351 PolarHBondContact O-N 3.36Å |
| 348 | R | 97.9 | Very high | 97.4 | Very high | 127 Ų | 127 | 91.2 Ų | 91.2 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -52 | 175.4 | -75.5 | -177.1 | -79.4 | 147.9 | -13.7 | 111.8 | E341 R344 M345 T350 A351 E352 | E341-R348 IonicContact OE1-CZ 3.31Å; E341-R348 IonicContact OE1-NH2 3.44Å; E341-R348 PolarHBondContact OE1-NH2 3.49Å; R344-R348 WeakPolarHBondContact O-CG 3.34Å; R344-R348 PolarHBondContact O-N 3.09Å; R344-R348 PolarHBondContact O-NE 3.3Å; M345-R348 PolarHBondContact O-N 3.02Å; R348-T350 VanDerWaalsContact C-N 3.32Å; R348-T350 PolarHBondContact O-N 3.26Å; R348-A351 WeakPolarHBondContact O-CB 3.43Å; R348-A351 PolarHBondContact O-N 2.9Å; R348-A351 VanDerWaalsContact O-N 3.1Å; R348-E352 WeakPolarHBondContact O-CG 3.22Å; R348-E352 PolarHBondContact O-N 3.1Å |
| 349 | L | 96.1 | Very high | 97.4 | Very high | 85 Ų | 85 | 92.1 Ų | 92.1 | 45% | 0.445 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 178.6 | -68.4 | 170.8 | 0 | 0 | 0 | 112.3 | M345 E352 I353 | M345-L349 HydrophobicContact CG-CD1 4.03Å; M345-L349 WeakPolarHBondContact O-CB 3.43Å; M345-L349 WeakPolarHBondContact O-CG 3.4Å; M345-L349 PolarHBondContact O-N 2.89Å; L349-E352 PolarHBondContact O-N 3.05Å; L349-I353 WeakPolarHBondContact O-CB 3.46Å; L349-I353 WeakPolarHBondContact O-CD1 3.29Å; L349-I353 VanDerWaalsContact O-CG1 3.24Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 3.41Å |
| 350 | T | 97.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 94.6 Ų | 94.6 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 173.2 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | I346 Q347 R348 I353 E354 | I346-T350 VanDerWaalsContact O-CB 3.29Å; I346-T350 WeakPolarHBondContact O-CB 3.2Å; I346-T350 PolarHBondContact O-N 3.37Å; I346-T350 PolarHBondContact O-OG1 2.91Å; Q347-T350 PolarHBondContact O-N 2.9Å; R348-T350 VanDerWaalsContact C-N 3.32Å; R348-T350 PolarHBondContact O-N 3.26Å; T350-I353 PolarHBondContact O-N 3.44Å; T350-E354 PolarHBondContact O-N 3.25Å |
| 351 | A | 97 | Very high | 97.3 | Very high | 50 Ų | 50 | 93.9 Ų | 93.9 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q347 R348 E354 N355 | Q347-A351 PolarHBondContact O-N 3.36Å; R348-A351 WeakPolarHBondContact O-CB 3.43Å; R348-A351 PolarHBondContact O-N 2.9Å; R348-A351 VanDerWaalsContact O-N 3.1Å; A351-E354 PolarHBondContact O-N 3.42Å; A351-N355 VanDerWaalsContact O-CB 3.32Å; A351-N355 WeakPolarHBondContact O-CB 3.41Å; A351-N355 VanDerWaalsContact O-CG 3.23Å; A351-N355 PolarHBondContact O-N 3Å; A351-N355 PolarHBondContact O-ND2 2.92Å |
| 352 | E | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 97.8 Ų | 97.8 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 173 | -71.8 | 165.1 | -150 | 0 | 0 | 111.8 | R348 L349 N355 A356 | R348-E352 WeakPolarHBondContact O-CG 3.22Å; R348-E352 PolarHBondContact O-N 3.1Å; L349-E352 PolarHBondContact O-N 3.05Å; E352-N355 PolarHBondContact O-N 3.44Å; E352-A356 WeakPolarHBondContact O-CB 3.04Å; E352-A356 PolarHBondContact O-N 2.97Å |
| 353 | I | 97.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175 | -72.5 | 163.8 | 0 | 0 | 0 | 111.7 | L349 T350 A356 K357 | L349-I353 WeakPolarHBondContact O-CB 3.46Å; L349-I353 WeakPolarHBondContact O-CD1 3.29Å; L349-I353 VanDerWaalsContact O-CG1 3.24Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 3.41Å; T350-I353 PolarHBondContact O-N 3.44Å; I353-A356 PolarHBondContact O-N 3.1Å; I353-K357 HydrophobicContact CG2-CD 4.17Å; I353-K357 WeakPolarHBondContact O-CG 3.41Å; I353-K357 PolarHBondContact O-N 3.32Å |
| 354 | E | 98 | Very high | 97.3 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 177.1 | -62.9 | -44.4 | 129.1 | 0 | 0 | 112.3 | T350 A351 K357 C358 | T350-E354 PolarHBondContact O-N 3.25Å; A351-E354 PolarHBondContact O-N 3.42Å; E354-K357 PolarHBondContact O-N 2.71Å; E354-K357 IonicContact OE1-NZ 3.98Å; E354-K357 PolarHBondContact OE1-NZ 2.87Å; E354-K357 WeakPolarHBondContact OE2-CD 3.38Å; E354-K357 IonicContact OE2-NZ 3.22Å; E354-K357 PolarHBondContact OE2-NZ 2.87Å; E354-C358 WeakPolarHBondContact O-CB 3.38Å; E354-C358 PolarHBondContact O-N 2.91Å; E354-C358 PolarHBondContact O-SG 2.98Å |
| 355 | N | 97.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 96.3 Ų | 96.3 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 171.6 | -77.8 | -39.6 | 0 | 0 | 0 | 112 | A351 E352 C358 Q359 | A351-N355 VanDerWaalsContact O-CB 3.32Å; A351-N355 WeakPolarHBondContact O-CB 3.41Å; A351-N355 VanDerWaalsContact O-CG 3.23Å; A351-N355 PolarHBondContact O-N 3Å; A351-N355 PolarHBondContact O-ND2 2.92Å; E352-N355 PolarHBondContact O-N 3.44Å; N355-C358 PolarHBondContact O-N 3.35Å; N355-Q359 WeakPolarHBondContact O-CG 3.46Å; N355-Q359 PolarHBondContact O-N 3.36Å |
| 356 | A | 94.7 | Very high | 97.2 | Very high | 52 Ų | 52 | 94.6 Ų | 94.6 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E352 I353 Q359 R360 | E352-A356 WeakPolarHBondContact O-CB 3.04Å; E352-A356 PolarHBondContact O-N 2.97Å; I353-A356 PolarHBondContact O-N 3.1Å; A356-Q359 PolarHBondContact O-N 3.48Å; A356-R360 WeakPolarHBondContact O-CB 3.36Å; A356-R360 PolarHBondContact O-N 2.98Å |
| 357 | K | 97.6 | Very high | 97.2 | Very high | 99 Ų | 99 | 93.6 Ų | 93.6 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 171.3 | -73.7 | 165.2 | 174.9 | 177.4 | 0 | 111.8 | I353 E354 Q359 R360 A361 | I353-K357 HydrophobicContact CG2-CD 4.17Å; I353-K357 WeakPolarHBondContact O-CG 3.41Å; I353-K357 PolarHBondContact O-N 3.32Å; E354-K357 PolarHBondContact O-N 2.71Å; E354-K357 IonicContact OE1-NZ 3.98Å; E354-K357 PolarHBondContact OE1-NZ 2.87Å; E354-K357 WeakPolarHBondContact OE2-CD 3.38Å; E354-K357 IonicContact OE2-NZ 3.22Å; E354-K357 PolarHBondContact OE2-NZ 2.87Å; K357-Q359 VanDerWaalsContact C-N 3.33Å; K357-Q359 PolarHBondContact O-N 3.18Å; K357-R360 PolarHBondContact O-N 2.86Å; K357-A361 WeakPolarHBondContact O-CB 3.35Å; K357-A361 PolarHBondContact O-N 3.45Å |
| 358 | C | 97.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 89.6 Ų | 89.6 | 48% | 0.48 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 177.6 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | E354 N355 K362 | E354-C358 WeakPolarHBondContact O-CB 3.38Å; E354-C358 PolarHBondContact O-N 2.91Å; E354-C358 PolarHBondContact O-SG 2.98Å; N355-C358 PolarHBondContact O-N 3.35Å; C358-K362 WeakPolarHBondContact O-CD 3.3Å; C358-K362 VanDerWaalsContact O-CG 3.27Å; C358-K362 WeakPolarHBondContact O-CG 3.49Å; C358-K362 PolarHBondContact O-N 2.89Å |
| 359 | Q | 97.2 | Very high | 97.2 | Very high | 131 Ų | 131 | 89 Ų | 89 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.5 | -45.5 | 171.9 | -72.8 | 175.4 | -1 | 0 | 0 | 111.3 | N355 A356 K357 A361 K362 L363 | N355-Q359 WeakPolarHBondContact O-CG 3.46Å; N355-Q359 PolarHBondContact O-N 3.36Å; A356-Q359 PolarHBondContact O-N 3.48Å; K357-Q359 VanDerWaalsContact C-N 3.33Å; K357-Q359 PolarHBondContact O-N 3.18Å; Q359-A361 PolarHBondContact O-N 3.42Å; Q359-K362 PolarHBondContact O-N 3.44Å; Q359-L363 WeakPolarHBondContact O-CG 3.5Å; Q359-L363 PolarHBondContact O-N 3.01Å |
| 360 | R | 95.8 | Very high | 97.2 | Very high | 150 Ų | 150 | 87.8 Ų | 87.8 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59 | -47.9 | 178.5 | -151.6 | -166.6 | 79.7 | -149.6 | -2.5 | 111.5 | A356 K357 K362 L363 E364 | A356-R360 WeakPolarHBondContact O-CB 3.36Å; A356-R360 PolarHBondContact O-N 2.98Å; K357-R360 PolarHBondContact O-N 2.86Å; R360-K362 VanDerWaalsContact C-N 3.3Å; R360-K362 PolarHBondContact O-N 3.22Å; R360-L363 PolarHBondContact O-N 2.84Å; R360-L363 VanDerWaalsContact O-N 3.11Å; R360-E364 IonicContact CZ-OE1 2.8Å; R360-E364 IonicContact CZ-OE2 2.62Å; R360-E364 IonicContact NE-OE1 2.65Å; R360-E364 PolarHBondContact NE-OE1 3.06Å; R360-E364 IonicContact NE-OE2 2.64Å; R360-E364 IonicContact NH2-OE1 2.76Å; R360-E364 PolarHBondContact NH2-OE1 3.14Å; R360-E364 IonicContact NH2-OE2 2.68Å; R360-E364 PolarHBondContact NH2-OE2 2.96Å; R360-E364 WeakPolarHBondContact O-CB 3.43Å; R360-E364 VanDerWaalsContact O-CG 3.29Å; R360-E364 WeakPolarHBondContact O-CG 3.22Å; R360-E364 PolarHBondContact O-N 3.48Å |
| 361 | A | 97.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 90.7 Ų | 90.7 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K357 Q359 E364 A365 | K357-A361 WeakPolarHBondContact O-CB 3.35Å; K357-A361 PolarHBondContact O-N 3.45Å; Q359-A361 PolarHBondContact O-N 3.42Å; A361-E364 WeakPolarHBondContact CA-OE2 3.32Å; A361-A365 WeakPolarHBondContact O-CB 3.48Å; A361-A365 PolarHBondContact O-N 3.43Å |
| 362 | K | 97.9 | Very high | 97.2 | Very high | 156 Ų | 156 | 95 Ų | 95 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.4 | -38.5 | 173.9 | -74.2 | 171.6 | -178.9 | -178.2 | 0 | 112.4 | C358 Q359 R360 A366 | C358-K362 WeakPolarHBondContact O-CD 3.3Å; C358-K362 VanDerWaalsContact O-CG 3.27Å; C358-K362 WeakPolarHBondContact O-CG 3.49Å; C358-K362 PolarHBondContact O-N 2.89Å; Q359-K362 PolarHBondContact O-N 3.44Å; R360-K362 VanDerWaalsContact C-N 3.3Å; R360-K362 PolarHBondContact O-N 3.22Å; K362-A366 WeakPolarHBondContact O-CB 3.45Å; K362-A366 PolarHBondContact O-N 2.96Å |
| 363 | L | 96.3 | Very high | 97.1 | Very high | 119 Ų | 119 | 95.3 Ų | 95.3 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.5 | -41.5 | 176.1 | -67.2 | 172.4 | 0 | 0 | 0 | 111.5 | Q359 R360 A365 A366 V367 | Q359-L363 WeakPolarHBondContact O-CG 3.5Å; Q359-L363 PolarHBondContact O-N 3.01Å; R360-L363 PolarHBondContact O-N 2.84Å; R360-L363 VanDerWaalsContact O-N 3.11Å; L363-A365 VanDerWaalsContact C-N 3.33Å; L363-A365 PolarHBondContact O-N 2.76Å; L363-A366 PolarHBondContact O-N 3.48Å; L363-V367 WeakPolarHBondContact O-CG2 3.43Å; L363-V367 PolarHBondContact O-N 2.79Å |
| 364 | E | 97.5 | Very high | 97.1 | Very high | 93 Ų | 93 | 92.5 Ų | 92.5 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 172.7 | -72.8 | 166.5 | 162.9 | 0 | 0 | 111.1 | R360 A361 A368 | R360-E364 IonicContact CZ-OE1 2.8Å; R360-E364 IonicContact CZ-OE2 2.62Å; R360-E364 IonicContact NE-OE1 2.65Å; R360-E364 PolarHBondContact NE-OE1 3.06Å; R360-E364 IonicContact NE-OE2 2.64Å; R360-E364 IonicContact NH2-OE1 2.76Å; R360-E364 PolarHBondContact NH2-OE1 3.14Å; R360-E364 IonicContact NH2-OE2 2.68Å; R360-E364 PolarHBondContact NH2-OE2 2.96Å; R360-E364 WeakPolarHBondContact O-CB 3.43Å; R360-E364 VanDerWaalsContact O-CG 3.29Å; R360-E364 WeakPolarHBondContact O-CG 3.22Å; R360-E364 PolarHBondContact O-N 3.48Å; A361-E364 WeakPolarHBondContact CA-OE2 3.32Å; E364-A368 PolarHBondContact O-N 2.93Å |
| 365 | A | 97.8 | Very high | 97.1 | Very high | 60 Ų | 60 | 95 Ų | 95 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A361 L363 A368 E369 | A361-A365 WeakPolarHBondContact O-CB 3.48Å; A361-A365 PolarHBondContact O-N 3.43Å; L363-A365 VanDerWaalsContact C-N 3.33Å; L363-A365 PolarHBondContact O-N 2.76Å; A365-A368 PolarHBondContact O-N 3.32Å; A365-E369 PolarHBondContact O-N 3.29Å |
| 366 | A | 96.8 | Very high | 97.1 | Very high | 52 Ų | 52 | 92.9 Ų | 92.9 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | K362 L363 A370 | K362-A366 WeakPolarHBondContact O-CB 3.45Å; K362-A366 PolarHBondContact O-N 2.96Å; L363-A366 PolarHBondContact O-N 3.48Å; A366-A370 WeakPolarHBondContact O-CB 3.38Å; A366-A370 PolarHBondContact O-N 3.43Å |
| 367 | V | 97.2 | Very high | 97.2 | Very high | 78 Ų | 78 | 93.2 Ų | 93.2 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -49.8 | 171.6 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | L363 E369 A370 E371 | L363-V367 WeakPolarHBondContact O-CG2 3.43Å; L363-V367 PolarHBondContact O-N 2.79Å; V367-E369 VanDerWaalsContact C-N 3.3Å; V367-E369 PolarHBondContact O-N 3.12Å; V367-A370 PolarHBondContact O-N 3.43Å; V367-A370 VanDerWaalsContact O-N 3.13Å; V367-E371 HydrophobicContact CG1-CG 4.25Å; V367-E371 WeakPolarHBondContact O-CB 3.18Å; V367-E371 WeakPolarHBondContact O-CG 3.36Å; V367-E371 PolarHBondContact O-N 2.91Å |
| 368 | A | 97.5 | Very high | 97.2 | Very high | 51 Ų | 51 | 93.3 Ų | 93.3 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E364 A365 Q372 | E364-A368 PolarHBondContact O-N 2.93Å; A365-A368 PolarHBondContact O-N 3.32Å; A368-Q372 WeakPolarHBondContact O-CB 3.26Å; A368-Q372 PolarHBondContact O-N 2.95Å |
| 369 | E | 98 | Very high | 97.3 | Very high | 114 Ų | 114 | 93.1 Ų | 93.1 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 173.8 | -165.9 | -172.9 | 160.4 | 0 | 0 | 111.6 | A365 V367 Q372 Q373 | A365-E369 PolarHBondContact O-N 3.29Å; V367-E369 VanDerWaalsContact C-N 3.3Å; V367-E369 PolarHBondContact O-N 3.12Å; E369-Q372 PolarHBondContact O-N 3.28Å; E369-Q373 WeakPolarHBondContact O-CB 3.36Å; E369-Q373 VanDerWaalsContact O-CG 3.28Å; E369-Q373 WeakPolarHBondContact O-CG 3.4Å; E369-Q373 PolarHBondContact O-N 2.94Å; E369-Q373 PolarHBondContact OE1-NE2 3.47Å |
| 370 | A | 95.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 90.6 Ų | 90.6 | 50% | 0.496 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A366 V367 G374 | A366-A370 WeakPolarHBondContact O-CB 3.38Å; A366-A370 PolarHBondContact O-N 3.43Å; V367-A370 PolarHBondContact O-N 3.43Å; V367-A370 VanDerWaalsContact O-N 3.13Å; A370-G374 PolarHBondContact O-N 2.82Å |
| 371 | E | 96.9 | Very high | 97.4 | Very high | 133 Ų | 133 | 86.1 Ų | 86.1 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -46.6 | 172.9 | -73.8 | 175.5 | 162.2 | 0 | 0 | 111 | V367 G374 E375 | V367-E371 HydrophobicContact CG1-CG 4.25Å; V367-E371 WeakPolarHBondContact O-CB 3.18Å; V367-E371 WeakPolarHBondContact O-CG 3.36Å; V367-E371 PolarHBondContact O-N 2.91Å; E371-G374 PolarHBondContact O-N 3.48Å; E371-E375 PolarHBondContact O-N 2.87Å |
| 372 | Q | 97.8 | Very high | 97.4 | Very high | 140 Ų | 140 | 92 Ų | 92 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 177.2 | -171 | 179.7 | 17 | 0 | 0 | 112.4 | A368 E369 G374 A376 | A368-Q372 WeakPolarHBondContact O-CB 3.26Å; A368-Q372 PolarHBondContact O-N 2.95Å; E369-Q372 PolarHBondContact O-N 3.28Å; Q372-G374 VanDerWaalsContact C-N 3.34Å; Q372-A376 WeakPolarHBondContact O-CB 3.41Å; Q372-A376 PolarHBondContact O-N 3.36Å |
| 373 | Q | 97.3 | Very high | 97.5 | Very high | 117 Ų | 117 | 87.7 Ų | 87.7 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.2 | -71.4 | 178.2 | 20.4 | 0 | 0 | 111.6 | E369 A377 | E369-Q373 WeakPolarHBondContact O-CB 3.36Å; E369-Q373 VanDerWaalsContact O-CG 3.28Å; E369-Q373 WeakPolarHBondContact O-CG 3.4Å; E369-Q373 PolarHBondContact O-N 2.94Å; E369-Q373 PolarHBondContact OE1-NE2 3.47Å; Q373-A377 PolarHBondContact O-N 3.19Å |
| 374 | G | 96.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 86.9 Ų | 86.9 | 33% | 0.33 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A370 E371 Q372 A377 L378 | A370-G374 PolarHBondContact O-N 2.82Å; E371-G374 PolarHBondContact O-N 3.48Å; Q372-G374 VanDerWaalsContact C-N 3.34Å; G374-A377 PolarHBondContact O-N 3.31Å; G374-L378 WeakPolarHBondContact O-CG 3.49Å; G374-L378 PolarHBondContact O-N 3.49Å |
| 375 | E | 97.9 | Very high | 97.6 | Very high | 138 Ų | 138 | 87 Ų | 87 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 175.8 | -176.5 | 170 | -144.7 | 0 | 0 | 111.6 | E371 A377 L378 S379 | E371-E375 PolarHBondContact O-N 2.87Å; E375-A377 PolarHBondContact O-N 3.34Å; E375-L378 PolarHBondContact O-N 2.9Å; E375-S379 WeakPolarHBondContact O-CB 3.46Å; E375-S379 PolarHBondContact O-N 3.02Å |
| 376 | A | 97.6 | Very high | 97.6 | Very high | 54 Ų | 54 | 86.8 Ų | 86.8 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q372 L378 S379 D380 | Q372-A376 WeakPolarHBondContact O-CB 3.41Å; Q372-A376 PolarHBondContact O-N 3.36Å; A376-L378 PolarHBondContact O-N 3Å; A376-S379 PolarHBondContact O-N 2.96Å; A376-S379 PolarHBondContact O-OG 2.89Å; A376-D380 PolarHBondContact O-N 3.31Å |
| 377 | A | 97.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 90.1 Ų | 90.1 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q373 G374 E375 S379 A381 | Q373-A377 PolarHBondContact O-N 3.19Å; G374-A377 PolarHBondContact O-N 3.31Å; E375-A377 PolarHBondContact O-N 3.34Å; A377-S379 VanDerWaalsContact C-N 3.34Å; A377-A381 WeakPolarHBondContact O-CB 3.41Å; A377-A381 PolarHBondContact O-N 3.09Å |
| 378 | L | 97.7 | Very high | 97.7 | Very high | 100 Ų | 100 | 92.5 Ų | 92.5 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 173.5 | -72.3 | 172 | 0 | 0 | 0 | 112.3 | G374 E375 A376 R382 | G374-L378 WeakPolarHBondContact O-CG 3.49Å; G374-L378 PolarHBondContact O-N 3.49Å; E375-L378 PolarHBondContact O-N 2.9Å; A376-L378 PolarHBondContact O-N 3Å; L378-R382 WeakPolarHBondContact O-CB 3.5Å; L378-R382 WeakPolarHBondContact O-CD 3.31Å; L378-R382 WeakPolarHBondContact O-CG 3.39Å; L378-R382 PolarHBondContact O-N 3.24Å |
| 379 | S | 98.4 | Very high | 97.7 | Very high | 68 Ų | 68 | 95.9 Ų | 95.9 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 176.8 | 80.6 | 0 | 0 | 0 | 0 | 112.1 | E375 A376 A377 R382 C383 | E375-S379 WeakPolarHBondContact O-CB 3.46Å; E375-S379 PolarHBondContact O-N 3.02Å; A376-S379 PolarHBondContact O-N 2.96Å; A376-S379 PolarHBondContact O-OG 2.89Å; A377-S379 VanDerWaalsContact C-N 3.34Å; S379-R382 PolarHBondContact O-N 3.32Å; S379-C383 PolarHBondContact O-N 3.35Å |
| 380 | D | 98.3 | Very high | 97.8 | Very high | 78 Ų | 78 | 92.5 Ų | 92.5 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 174.7 | 169.3 | 65.6 | 0 | 0 | 0 | 111.6 | A376 R382 C383 K384 | A376-D380 PolarHBondContact O-N 3.31Å; D380-R382 VanDerWaalsContact C-N 3.34Å; D380-R382 PolarHBondContact O-N 2.99Å; D380-C383 WeakPolarHBondContact O-CB 3.34Å; D380-C383 PolarHBondContact O-N 3.12Å; D380-K384 WeakPolarHBondContact O-CG 3.48Å; D380-K384 PolarHBondContact O-N 3.07Å; D380-K384 WeakPolarHBondContact OD1-CE 3.21Å; D380-K384 IonicContact OD1-NZ 2.69Å; D380-K384 PolarHBondContact OD1-NZ 2.66Å; D380-K384 IonicContact OD2-NZ 3.54Å; D380-K384 PolarHBondContact OD2-NZ 3.05Å |
| 381 | A | 97.8 | Very high | 97.9 | Very high | 55 Ų | 55 | 92.4 Ų | 92.4 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A377 L385 | A377-A381 WeakPolarHBondContact O-CB 3.41Å; A377-A381 PolarHBondContact O-N 3.09Å; A381-L385 WeakPolarHBondContact O-CB 3.47Å; A381-L385 PolarHBondContact O-N 2.95Å |
| 382 | R | 97.9 | Very high | 97.9 | Very high | 173 Ų | 173 | 90.9 Ų | 90.9 | 65% | 0.653 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 174.4 | -75.1 | 168.2 | 178.9 | 168.6 | 1.3 | 112.3 | L378 S379 D380 L385 A386 | L378-R382 WeakPolarHBondContact O-CB 3.5Å; L378-R382 WeakPolarHBondContact O-CD 3.31Å; L378-R382 WeakPolarHBondContact O-CG 3.39Å; L378-R382 PolarHBondContact O-N 3.24Å; S379-R382 PolarHBondContact O-N 3.32Å; D380-R382 VanDerWaalsContact C-N 3.34Å; D380-R382 PolarHBondContact O-N 2.99Å; R382-L385 PolarHBondContact O-N 2.74Å; R382-A386 PolarHBondContact O-N 2.62Å |
| 383 | C | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 89 Ų | 89 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 176 | -165.1 | 0 | 0 | 0 | 0 | 110.9 | S379 D380 L385 A386 E387 | S379-C383 PolarHBondContact O-N 3.35Å; D380-C383 WeakPolarHBondContact O-CB 3.34Å; D380-C383 PolarHBondContact O-N 3.12Å; C383-L385 VanDerWaalsContact C-N 3.3Å; C383-L385 PolarHBondContact O-N 3.18Å; C383-A386 PolarHBondContact O-N 3.2Å; C383-A386 VanDerWaalsContact O-N 3.14Å; C383-E387 WeakPolarHBondContact O-CG 3.47Å; C383-E387 PolarHBondContact O-N 3.02Å; C383-E387 PolarHBondContact SG-OE1 3.03Å |
| 384 | K | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 89.7 Ų | 89.7 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -37 | 177 | -73.3 | 162.9 | 176.7 | 162 | 0 | 112.9 | D380 L388 | D380-K384 WeakPolarHBondContact O-CG 3.48Å; D380-K384 PolarHBondContact O-N 3.07Å; D380-K384 WeakPolarHBondContact OD1-CE 3.21Å; D380-K384 IonicContact OD1-NZ 2.69Å; D380-K384 PolarHBondContact OD1-NZ 2.66Å; D380-K384 IonicContact OD2-NZ 3.54Å; D380-K384 PolarHBondContact OD2-NZ 3.05Å; K384-L388 WeakPolarHBondContact O-CB 3.32Å; K384-L388 VanDerWaalsContact O-CG 3.27Å; K384-L388 WeakPolarHBondContact O-CG 3.33Å; K384-L388 PolarHBondContact O-N 2.74Å |
| 385 | L | 97.8 | Very high | 98.1 | Very high | 96 Ų | 96 | 91 Ų | 91 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 173.9 | -174.4 | 153.4 | 0 | 0 | 0 | 111 | A381 R382 C383 E387 L388 E389 | A381-L385 WeakPolarHBondContact O-CB 3.47Å; A381-L385 PolarHBondContact O-N 2.95Å; R382-L385 PolarHBondContact O-N 2.74Å; C383-L385 VanDerWaalsContact C-N 3.3Å; C383-L385 PolarHBondContact O-N 3.18Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 2.98Å; L385-L388 PolarHBondContact O-N 3.22Å; L385-E389 HydrophobicContact CD2-CG 4.07Å; L385-E389 WeakPolarHBondContact O-CG 3.45Å; L385-E389 PolarHBondContact O-N 3.43Å |
| 386 | A | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 90 Ų | 90 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R382 C383 G390 | R382-A386 PolarHBondContact O-N 2.62Å; C383-A386 PolarHBondContact O-N 3.2Å; C383-A386 VanDerWaalsContact O-N 3.14Å; A386-G390 PolarHBondContact O-N 2.94Å |
| 387 | E | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 91 Ų | 91 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 172.3 | -74.1 | 168.3 | -151.9 | 0 | 0 | 111.9 | C383 L385 G390 A391 | C383-E387 WeakPolarHBondContact O-CG 3.47Å; C383-E387 PolarHBondContact O-N 3.02Å; C383-E387 PolarHBondContact SG-OE1 3.03Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 2.98Å; E387-G390 PolarHBondContact O-N 3.44Å; E387-A391 WeakPolarHBondContact O-CB 3.22Å; E387-A391 PolarHBondContact O-N 3.19Å |
| 388 | L | 98.2 | Very high | 98.2 | Very high | 127 Ų | 127 | 92 Ų | 92 | 67% | 0.665 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.1 | -39.1 | 177.9 | -71.9 | 170.7 | 0 | 0 | 0 | 112.4 | K384 L385 A391 L392 | K384-L388 WeakPolarHBondContact O-CB 3.32Å; K384-L388 VanDerWaalsContact O-CG 3.27Å; K384-L388 WeakPolarHBondContact O-CG 3.33Å; K384-L388 PolarHBondContact O-N 2.74Å; L385-L388 PolarHBondContact O-N 3.22Å; L388-A391 PolarHBondContact O-N 2.85Å; L388-L392 WeakPolarHBondContact O-CB 3.26Å; L388-L392 PolarHBondContact O-N 3.25Å |
| 389 | E | 98.2 | Very high | 98.2 | Very high | 122 Ų | 122 | 92.6 Ų | 92.6 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 172.5 | -73 | -173.7 | 150.7 | 0 | 0 | 111.8 | L385 L392 Q393 | L385-E389 HydrophobicContact CD2-CG 4.07Å; L385-E389 WeakPolarHBondContact O-CG 3.45Å; L385-E389 PolarHBondContact O-N 3.43Å; E389-L392 PolarHBondContact O-N 3.33Å; E389-Q393 VanDerWaalsContact O-CB 3.29Å; E389-Q393 WeakPolarHBondContact O-CB 3.37Å; E389-Q393 PolarHBondContact O-N 2.9Å |
| 390 | G | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 91.6 Ų | 91.6 | 44% | 0.443 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A386 E387 Q393 K394 | A386-G390 PolarHBondContact O-N 2.94Å; E387-G390 PolarHBondContact O-N 3.44Å; G390-Q393 PolarHBondContact O-N 3.37Å; G390-K394 WeakPolarHBondContact O-CB 3.41Å; G390-K394 PolarHBondContact O-N 2.85Å |
| 391 | A | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 90.8 Ų | 90.8 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E387 L388 K394 A395 | E387-A391 WeakPolarHBondContact O-CB 3.22Å; E387-A391 PolarHBondContact O-N 3.19Å; L388-A391 PolarHBondContact O-N 2.85Å; A391-K394 PolarHBondContact O-N 2.91Å; A391-A395 PolarHBondContact O-N 3.32Å |
| 392 | L | 98.1 | Very high | 98.1 | Very high | 102 Ų | 102 | 93 Ų | 93 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.3 | -175.9 | 94.3 | 0 | 0 | 0 | 111.3 | L388 E389 K394 A395 K396 | L388-L392 WeakPolarHBondContact O-CB 3.26Å; L388-L392 PolarHBondContact O-N 3.25Å; E389-L392 PolarHBondContact O-N 3.33Å; L392-K394 VanDerWaalsContact C-N 3.31Å; L392-K394 PolarHBondContact O-N 3.34Å; L392-A395 PolarHBondContact O-N 2.94Å; L392-K396 WeakPolarHBondContact O-CG 3.4Å; L392-K396 PolarHBondContact O-N 3.4Å |
| 393 | Q | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 90.1 Ų | 90.1 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.1 | -27.4 | -179 | -172.5 | 62.3 | 1.3 | 0 | 0 | 112.5 | E389 G390 Q397 | E389-Q393 VanDerWaalsContact O-CB 3.29Å; E389-Q393 WeakPolarHBondContact O-CB 3.37Å; E389-Q393 PolarHBondContact O-N 2.9Å; G390-Q393 PolarHBondContact O-N 3.37Å; Q393-Q397 WeakPolarHBondContact O-CG 3.27Å; Q393-Q397 PolarHBondContact O-N 3.17Å; Q393-Q397 PolarHBondContact O-NE2 3.49Å |
| 394 | K | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 93.3 Ų | 93.3 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.2 | -49.8 | 167.6 | -171.7 | -175.1 | 172.3 | -174.4 | 0 | 111.2 | G390 A391 L392 K396 Q397 D398 | G390-K394 WeakPolarHBondContact O-CB 3.41Å; G390-K394 PolarHBondContact O-N 2.85Å; A391-K394 PolarHBondContact O-N 2.91Å; L392-K394 VanDerWaalsContact C-N 3.31Å; L392-K394 PolarHBondContact O-N 3.34Å; K394-K396 PolarHBondContact O-N 3.4Å; K394-Q397 CarbonylContact O-C 3.56Å; K394-Q397 WeakPolarHBondContact O-CA 3.43Å; K394-Q397 WeakPolarHBondContact O-CB 3.48Å; K394-Q397 PolarHBondContact O-N 2.92Å; K394-D398 PolarHBondContact O-N 2.93Å |
| 395 | A | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 93.5 Ų | 93.5 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -34.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A391 L392 M399 | A391-A395 PolarHBondContact O-N 3.32Å; L392-A395 PolarHBondContact O-N 2.94Å; A395-M399 WeakPolarHBondContact O-CB 3.49Å; A395-M399 PolarHBondContact O-N 2.73Å |
| 396 | K | 98.1 | Very high | 98.1 | Very high | 118 Ų | 118 | 96.3 Ų | 96.3 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 170.3 | -73.1 | 171.1 | -179.4 | 174.1 | 0 | 113 | L392 K394 A400 | L392-K396 WeakPolarHBondContact O-CG 3.4Å; L392-K396 PolarHBondContact O-N 3.4Å; K394-K396 PolarHBondContact O-N 3.4Å; K396-A400 WeakPolarHBondContact O-CB 3.26Å; K396-A400 PolarHBondContact O-N 3.24Å; K396-A400 VanDerWaalsContact O-N 3.13Å |
| 397 | Q | 98.3 | Very high | 98.1 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -45.2 | 174.9 | -76.2 | 164.8 | 70.3 | 0 | 0 | 111.2 | Q393 K394 M399 A400 C401 | Q393-Q397 WeakPolarHBondContact O-CG 3.27Å; Q393-Q397 PolarHBondContact O-N 3.17Å; Q393-Q397 PolarHBondContact O-NE2 3.49Å; K394-Q397 CarbonylContact O-C 3.56Å; K394-Q397 WeakPolarHBondContact O-CA 3.43Å; K394-Q397 WeakPolarHBondContact O-CB 3.48Å; K394-Q397 PolarHBondContact O-N 2.92Å; Q397-M399 PolarHBondContact O-N 2.71Å; Q397-A400 CarbonylContact O-C 3.53Å; Q397-A400 WeakPolarHBondContact O-CB 3.39Å; Q397-A400 PolarHBondContact O-N 2.88Å; Q397-A400 VanDerWaalsContact O-N 3.08Å; Q397-C401 PolarHBondContact O-N 3.42Å; Q397-C401 PolarHBondContact O-SG 3.24Å |
| 398 | D | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 42% | 0.422 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 179.8 | -60.8 | -21.4 | 0 | 0 | 0 | 110.9 | K394 A400 C401 L402 | K394-D398 PolarHBondContact O-N 2.93Å; D398-A400 PolarHBondContact O-N 2.66Å; D398-C401 PolarHBondContact O-N 2.93Å; D398-L402 WeakPolarHBondContact O-CG 3.44Å; D398-L402 PolarHBondContact O-N 3.45Å |
| 399 | M | 97.9 | Very high | 98 | Very high | 113 Ų | 113 | 97 Ų | 97 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 171.2 | -179.5 | 62.6 | 70.6 | 0 | 0 | 112.6 | A395 Q397 C401 L402 L403 | A395-M399 WeakPolarHBondContact O-CB 3.49Å; A395-M399 PolarHBondContact O-N 2.73Å; Q397-M399 PolarHBondContact O-N 2.71Å; M399-C401 VanDerWaalsContact C-N 3.28Å; M399-C401 PolarHBondContact O-N 3.06Å; M399-L402 PolarHBondContact O-N 3.38Å; M399-L403 HydrophobicContact CG-CD1 4.31Å; M399-L403 WeakPolarHBondContact O-CG 3.37Å; M399-L403 PolarHBondContact O-N 3.04Å; M399-L403 HydrophobicContact SD-CG 4.49Å |
| 400 | A | 97.9 | Very high | 98 | Very high | 47 Ų | 47 | 94.2 Ų | 94.2 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.5 | -21.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K396 Q397 D398 K404 | K396-A400 WeakPolarHBondContact O-CB 3.26Å; K396-A400 PolarHBondContact O-N 3.24Å; K396-A400 VanDerWaalsContact O-N 3.13Å; Q397-A400 CarbonylContact O-C 3.53Å; Q397-A400 WeakPolarHBondContact O-CB 3.39Å; Q397-A400 PolarHBondContact O-N 2.88Å; Q397-A400 VanDerWaalsContact O-N 3.08Å; D398-A400 PolarHBondContact O-N 2.66Å; A400-K404 WeakPolarHBondContact O-CG 3.26Å |
| 401 | C | 97.8 | Very high | 98 | Very high | 61 Ų | 61 | 96.2 Ų | 96.2 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.7 | -50.2 | 168.2 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | Q397 D398 M399 L403 K404 E405 | Q397-C401 PolarHBondContact O-N 3.42Å; Q397-C401 PolarHBondContact O-SG 3.24Å; D398-C401 PolarHBondContact O-N 2.93Å; M399-C401 VanDerWaalsContact C-N 3.28Å; M399-C401 PolarHBondContact O-N 3.06Å; C401-L403 PolarHBondContact O-N 2.84Å; C401-K404 WeakPolarHBondContact O-CA 3.38Å; C401-K404 WeakPolarHBondContact O-CB 3.42Å; C401-K404 PolarHBondContact O-N 3.17Å; C401-E405 PolarHBondContact O-N 3.21Å |
| 402 | L | 97.7 | Very high | 98 | Very high | 101 Ų | 101 | 97 Ų | 97 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.1 | -37.8 | 178.1 | -74 | 167.6 | 0 | 0 | 0 | 112.9 | D398 M399 K404 Y406 | D398-L402 WeakPolarHBondContact O-CG 3.44Å; D398-L402 PolarHBondContact O-N 3.45Å; M399-L402 PolarHBondContact O-N 3.38Å; L402-K404 VanDerWaalsContact C-N 3.33Å; L402-K404 PolarHBondContact O-N 2.94Å; L402-Y406 VanDerWaalsContact O-CB 3.28Å; L402-Y406 WeakPolarHBondContact O-CB 3.35Å; L402-Y406 PolarHBondContact O-N 2.86Å |
| 403 | L | 98.1 | Very high | 98 | Very high | 113 Ų | 113 | 96.8 Ų | 96.8 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.7 | -31.7 | 175.1 | -73.6 | 169.8 | 0 | 0 | 0 | 113.4 | M399 C401 Q407 | M399-L403 HydrophobicContact CG-CD1 4.31Å; M399-L403 WeakPolarHBondContact O-CG 3.37Å; M399-L403 PolarHBondContact O-N 3.04Å; M399-L403 HydrophobicContact SD-CG 4.49Å; C401-L403 PolarHBondContact O-N 2.84Å; L403-Q407 WeakPolarHBondContact O-CB 3.38Å; L403-Q407 PolarHBondContact O-N 3.38Å; L403-Q407 VanDerWaalsContact O-N 3.16Å |
| 404 | K | 97.9 | Very high | 97.9 | Very high | 134 Ų | 134 | 95.9 Ų | 95.9 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -75.2 | -47.8 | 174.9 | -67.7 | 172.1 | -177.5 | 179.7 | 0 | 111.2 | A400 C401 L402 Y406 Q407 E408 | A400-K404 WeakPolarHBondContact O-CG 3.26Å; C401-K404 WeakPolarHBondContact O-CA 3.38Å; C401-K404 WeakPolarHBondContact O-CB 3.42Å; C401-K404 PolarHBondContact O-N 3.17Å; L402-K404 VanDerWaalsContact C-N 3.33Å; L402-K404 PolarHBondContact O-N 2.94Å; K404-Y406 VanDerWaalsContact C-N 3.26Å; K404-Y406 PolarHBondContact O-N 3.39Å; K404-Q407 CarbonylContact O-C 3.56Å; K404-Q407 WeakPolarHBondContact O-CA 3.38Å; K404-Q407 WeakPolarHBondContact O-CB 3.21Å; K404-Q407 PolarHBondContact O-N 3.04Å; K404-E408 WeakPolarHBondContact O-CG 3.19Å; K404-E408 PolarHBondContact O-N 2.87Å |
| 405 | E | 97.9 | Very high | 97.9 | Very high | 106 Ų | 106 | 91 Ų | 91 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.6 | -43.4 | 175.6 | -67.8 | 165.8 | -157.7 | 0 | 0 | 110.8 | C401 Q407 E408 V409 | C401-E405 PolarHBondContact O-N 3.21Å; E405-Q407 PolarHBondContact O-N 2.91Å; E405-E408 PolarHBondContact O-N 2.93Å; E405-V409 WeakPolarHBondContact O-CG2 3.3Å; E405-V409 PolarHBondContact O-N 3.1Å |
| 406 | Y | 98.1 | Very high | 97.9 | Very high | 155 Ų | 155 | 92.9 Ų | 92.9 | 61% | 0.608 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 174.4 | -168.7 | -91.6 | 0 | 0 | 0 | 112.8 | L402 K404 M410 | L402-Y406 VanDerWaalsContact O-CB 3.28Å; L402-Y406 WeakPolarHBondContact O-CB 3.35Å; L402-Y406 PolarHBondContact O-N 2.86Å; K404-Y406 VanDerWaalsContact C-N 3.26Å; K404-Y406 PolarHBondContact O-N 3.39Å; Y406-M410 HydrophobicContact CE1-CE 3.85Å; Y406-M410 VanDerWaalsContact O-CB 3.32Å; Y406-M410 WeakPolarHBondContact O-CB 3.25Å; Y406-M410 PolarHBondContact O-N 3.47Å |
| 407 | Q | 97.9 | Very high | 97.8 | Very high | 100 Ų | 100 | 90 Ų | 90 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 175.8 | -172.2 | 63 | 59 | 0 | 0 | 112.2 | L403 K404 E405 M410 N411 | L403-Q407 WeakPolarHBondContact O-CB 3.38Å; L403-Q407 PolarHBondContact O-N 3.38Å; L403-Q407 VanDerWaalsContact O-N 3.16Å; K404-Q407 CarbonylContact O-C 3.56Å; K404-Q407 WeakPolarHBondContact O-CA 3.38Å; K404-Q407 WeakPolarHBondContact O-CB 3.21Å; K404-Q407 PolarHBondContact O-N 3.04Å; E405-Q407 PolarHBondContact O-N 2.91Å; Q407-M410 PolarHBondContact O-N 3.43Å; Q407-N411 PolarHBondContact NE2-OD1 3.42Å; Q407-N411 WeakPolarHBondContact O-CB 3.06Å; Q407-N411 PolarHBondContact O-N 3.47Å; Q407-N411 PolarHBondContact O-ND2 3.11Å; Q407-N411 PolarHBondContact O-OD1 3.24Å |
| 408 | E | 97.5 | Very high | 97.8 | Very high | 121 Ų | 121 | 91.8 Ų | 91.8 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.2 | -42 | 176.2 | -72.7 | 169 | -159.1 | 0 | 0 | 111.5 | K404 E405 N411 S412 | K404-E408 WeakPolarHBondContact O-CG 3.19Å; K404-E408 PolarHBondContact O-N 2.87Å; E405-E408 PolarHBondContact O-N 2.93Å; E408-N411 PolarHBondContact O-N 3.4Å; E408-S412 WeakPolarHBondContact O-CB 3.43Å; E408-S412 PolarHBondContact O-N 2.85Å; E408-S412 PolarHBondContact O-OG 2.92Å |
| 409 | V | 98.1 | Very high | 97.7 | Very high | 99 Ų | 99 | 92.5 Ų | 92.5 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 171.8 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | E405 S412 K413 | E405-V409 WeakPolarHBondContact O-CG2 3.3Å; E405-V409 PolarHBondContact O-N 3.1Å; V409-S412 PolarHBondContact O-N 2.89Å; V409-K413 WeakPolarHBondContact O-CB 3.31Å; V409-K413 PolarHBondContact O-N 2.9Å |
| 410 | M | 97.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 90.9 Ų | 90.9 | 31% | 0.305 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.6 | -174.7 | 63.5 | 68.6 | 0 | 0 | 111.8 | Y406 Q407 K413 L414 | Y406-M410 HydrophobicContact CE1-CE 3.85Å; Y406-M410 VanDerWaalsContact O-CB 3.32Å; Y406-M410 WeakPolarHBondContact O-CB 3.25Å; Y406-M410 PolarHBondContact O-N 3.47Å; Q407-M410 PolarHBondContact O-N 3.43Å; M410-K413 PolarHBondContact O-N 2.87Å; M410-K413 HydrophobicContact SD-CD 4.48Å; M410-L414 HydrophobicContact CG-CD1 4.26Å; M410-L414 VanDerWaalsContact O-CG 3.31Å; M410-L414 WeakPolarHBondContact O-CG 3.47Å; M410-L414 PolarHBondContact O-N 2.99Å |
| 411 | N | 97.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 91.3 Ų | 91.3 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.3 | -68.8 | -10.8 | 0 | 0 | 0 | 111 | Q407 E408 L414 G415 | Q407-N411 PolarHBondContact NE2-OD1 3.42Å; Q407-N411 WeakPolarHBondContact O-CB 3.06Å; Q407-N411 PolarHBondContact O-N 3.47Å; Q407-N411 PolarHBondContact O-ND2 3.11Å; Q407-N411 PolarHBondContact O-OD1 3.24Å; E408-N411 PolarHBondContact O-N 3.4Å; N411-L414 PolarHBondContact O-N 2.98Å; N411-G415 PolarHBondContact O-N 3.34Å |
| 412 | S | 97.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 91.6 Ų | 91.6 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | E408 V409 L414 G415 L416 | E408-S412 WeakPolarHBondContact O-CB 3.43Å; E408-S412 PolarHBondContact O-N 2.85Å; E408-S412 PolarHBondContact O-OG 2.92Å; V409-S412 PolarHBondContact O-N 2.89Å; S412-L414 VanDerWaalsContact C-N 3.33Å; S412-L414 PolarHBondContact O-N 2.89Å; S412-G415 PolarHBondContact O-N 3.07Å; S412-L416 WeakPolarHBondContact O-CG 3.23Å; S412-L416 PolarHBondContact O-N 3.33Å |
| 413 | K | 97.8 | Very high | 97.4 | Very high | 97 Ų | 97 | 93.6 Ų | 93.6 | 42% | 0.422 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.7 | 176.2 | -86.5 | -176.3 | -168.4 | 0 | 112.2 | V409 M410 L416 D417 | V409-K413 WeakPolarHBondContact O-CB 3.31Å; V409-K413 PolarHBondContact O-N 2.9Å; M410-K413 PolarHBondContact O-N 2.87Å; M410-K413 HydrophobicContact SD-CD 4.48Å; K413-L416 PolarHBondContact O-N 3.49Å; K413-D417 WeakPolarHBondContact CE-OD2 3.47Å; K413-D417 IonicContact NZ-OD2 2.73Å; K413-D417 PolarHBondContact NZ-OD2 3.35Å; K413-D417 PolarHBondContact O-N 3.44Å |
| 414 | L | 97.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 95.2 Ų | 95.2 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 176.1 | -72.3 | 169 | 0 | 0 | 0 | 111.8 | M410 N411 S412 D417 I418 | M410-L414 HydrophobicContact CG-CD1 4.26Å; M410-L414 VanDerWaalsContact O-CG 3.31Å; M410-L414 WeakPolarHBondContact O-CG 3.47Å; M410-L414 PolarHBondContact O-N 2.99Å; N411-L414 PolarHBondContact O-N 2.98Å; S412-L414 VanDerWaalsContact C-N 3.33Å; S412-L414 PolarHBondContact O-N 2.89Å; L414-D417 PolarHBondContact O-N 3.35Å; L414-I418 WeakPolarHBondContact O-CD1 3.31Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.22Å; L414-I418 PolarHBondContact O-N 3.46Å; L414-I418 VanDerWaalsContact O-N 3.1Å |
| 415 | G | 97.4 | Very high | 97 | Very high | 30 Ų | 30 | 97.8 Ų | 97.8 | 31% | 0.309 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N411 S412 D417 I418 E419 | N411-G415 PolarHBondContact O-N 3.34Å; S412-G415 PolarHBondContact O-N 3.07Å; G415-D417 PolarHBondContact O-N 3.27Å; G415-I418 WeakPolarHBondContact O-CB 3.27Å; G415-I418 PolarHBondContact O-N 3.31Å; G415-I418 VanDerWaalsContact O-N 3.09Å; G415-E419 PolarHBondContact O-N 2.82Å |
| 416 | L | 97.4 | Very high | 96.8 | Very high | 96 Ų | 96 | 98.3 Ų | 98.3 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 177.7 | -67.5 | 170.3 | 0 | 0 | 0 | 113.1 | S412 K413 I418 E419 I420 | S412-L416 WeakPolarHBondContact O-CG 3.23Å; S412-L416 PolarHBondContact O-N 3.33Å; K413-L416 PolarHBondContact O-N 3.49Å; L416-I418 VanDerWaalsContact C-N 3.31Å; L416-I418 PolarHBondContact O-N 2.8Å; L416-E419 PolarHBondContact O-N 3.48Å; L416-I420 WeakPolarHBondContact O-CB 3.33Å; L416-I420 WeakPolarHBondContact O-CD1 3.25Å; L416-I420 WeakPolarHBondContact O-CG1 3.48Å; L416-I420 PolarHBondContact O-N 2.89Å |
| 417 | D | 97.6 | Very high | 96.4 | Very high | 58 Ų | 58 | 96.1 Ų | 96.1 | 31% | 0.31 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 172.1 | -89 | -24.4 | 0 | 0 | 0 | 111.7 | K413 L414 G415 A421 | K413-D417 WeakPolarHBondContact CE-OD2 3.47Å; K413-D417 IonicContact NZ-OD2 2.73Å; K413-D417 PolarHBondContact NZ-OD2 3.35Å; K413-D417 PolarHBondContact O-N 3.44Å; L414-D417 PolarHBondContact O-N 3.35Å; G415-D417 PolarHBondContact O-N 3.27Å; D417-A421 WeakPolarHBondContact O-CB 3.42Å; D417-A421 PolarHBondContact O-N 2.86Å |
| 418 | I | 96.7 | Very high | 95.9 | Very high | 113 Ų | 113 | 95.9 Ų | 95.9 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68 | -46.5 | 176 | -67.9 | 162.9 | 0 | 0 | 0 | 110.4 | L414 G415 L416 I420 A421 T422 | L414-I418 WeakPolarHBondContact O-CD1 3.31Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.22Å; L414-I418 PolarHBondContact O-N 3.46Å; L414-I418 VanDerWaalsContact O-N 3.1Å; G415-I418 WeakPolarHBondContact O-CB 3.27Å; G415-I418 PolarHBondContact O-N 3.31Å; G415-I418 VanDerWaalsContact O-N 3.09Å; L416-I418 VanDerWaalsContact C-N 3.31Å; L416-I418 PolarHBondContact O-N 2.8Å; I418-I420 PolarHBondContact O-N 3.09Å; I418-A421 WeakPolarHBondContact O-CB 3.34Å; I418-A421 PolarHBondContact O-N 2.94Å; I418-A421 VanDerWaalsContact O-N 3.15Å; I418-T422 WeakPolarHBondContact O-CG2 3.37Å; I418-T422 PolarHBondContact O-N 2.67Å; I418-T422 PolarHBondContact O-OG1 3.02Å |
| 419 | E | 97.5 | Very high | 95.1 | Very high | 95 Ų | 95 | 91.8 Ų | 91.8 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.3 | -51.1 | 175.3 | -74.2 | 177.2 | -159.7 | 0 | 0 | 111 | G415 L416 A421 T422 Y423 | G415-E419 PolarHBondContact O-N 2.82Å; L416-E419 PolarHBondContact O-N 3.48Å; E419-A421 VanDerWaalsContact C-N 3.28Å; E419-A421 PolarHBondContact O-N 3.31Å; E419-T422 WeakPolarHBondContact CA-OG1 3.39Å; E419-T422 CarbonylContact O-C 3.59Å; E419-T422 PolarHBondContact O-N 3.13Å; E419-T422 PolarHBondContact O-OG1 2.85Å; E419-Y423 HydrophobicContact CB-CD2 4.34Å; E419-Y423 HydrophobicContact CB-CE2 4.08Å; E419-Y423 WeakPolarHBondContact O-CD2 3.42Å; E419-Y423 PolarHBondContact O-N 2.91Å |
| 420 | I | 96.1 | Very high | 94 | Very high | 79 Ų | 79 | 91.6 Ų | 91.6 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.5 | -39.7 | 176.4 | -69.4 | 164.3 | 0 | 0 | 0 | 111.5 | L416 I418 R424 | L416-I420 WeakPolarHBondContact O-CB 3.33Å; L416-I420 WeakPolarHBondContact O-CD1 3.25Å; L416-I420 WeakPolarHBondContact O-CG1 3.48Å; L416-I420 PolarHBondContact O-N 2.89Å; I418-I420 PolarHBondContact O-N 3.09Å; I420-R424 WeakPolarHBondContact O-CB 3.19Å; I420-R424 WeakPolarHBondContact O-CG 3.4Å; I420-R424 PolarHBondContact O-N 3.14Å |
| 421 | A | 96.4 | Very high | 92.6 | Very high | 55 Ų | 55 | 94.5 Ų | 94.5 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D417 I418 E419 R425 | D417-A421 WeakPolarHBondContact O-CB 3.42Å; D417-A421 PolarHBondContact O-N 2.86Å; I418-A421 WeakPolarHBondContact O-CB 3.34Å; I418-A421 PolarHBondContact O-N 2.94Å; I418-A421 VanDerWaalsContact O-N 3.15Å; E419-A421 VanDerWaalsContact C-N 3.28Å; E419-A421 PolarHBondContact O-N 3.31Å; A421-R425 WeakPolarHBondContact O-CB 3.22Å; A421-R425 PolarHBondContact O-N 3.38Å |
| 422 | T | 94.3 | Very high | 90.9 | Very high | 67 Ų | 67 | 96.6 Ų | 96.6 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.7 | -41 | 174.7 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | I418 E419 R424 R425 L426 | I418-T422 WeakPolarHBondContact O-CG2 3.37Å; I418-T422 PolarHBondContact O-N 2.67Å; I418-T422 PolarHBondContact O-OG1 3.02Å; E419-T422 WeakPolarHBondContact CA-OG1 3.39Å; E419-T422 CarbonylContact O-C 3.59Å; E419-T422 PolarHBondContact O-N 3.13Å; E419-T422 PolarHBondContact O-OG1 2.85Å; T422-R424 VanDerWaalsContact C-N 3.35Å; T422-R424 PolarHBondContact O-N 2.88Å; T422-R425 PolarHBondContact O-N 3.35Å; T422-L426 WeakPolarHBondContact O-CG 3.19Å; T422-L426 PolarHBondContact O-N 2.85Å |
| 423 | Y | 97.2 | Very high | 89.2 | Confident | 144 Ų | 144 | 101.5 Ų | 101.5 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 174.3 | -72.3 | -59.4 | 0 | 0 | 0 | 111.7 | E419 L426 L427 | E419-Y423 HydrophobicContact CB-CD2 4.34Å; E419-Y423 HydrophobicContact CB-CE2 4.08Å; E419-Y423 WeakPolarHBondContact O-CD2 3.42Å; E419-Y423 PolarHBondContact O-N 2.91Å; Y423-L426 PolarHBondContact O-N 3.47Å; Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 2.99Å |
| 424 | R | 95 | Very high | 87.2 | Confident | 146 Ų | 146 | 103.7 Ų | 103.7 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -49.3 | 172.3 | -76.7 | 176.4 | -178.1 | 164.8 | 3.1 | 112.2 | I420 T422 L426 L427 E428 | I420-R424 WeakPolarHBondContact O-CB 3.19Å; I420-R424 WeakPolarHBondContact O-CG 3.4Å; I420-R424 PolarHBondContact O-N 3.14Å; T422-R424 VanDerWaalsContact C-N 3.35Å; T422-R424 PolarHBondContact O-N 2.88Å; R424-L426 PolarHBondContact O-N 2.86Å; R424-L427 PolarHBondContact O-N 2.91Å; R424-L427 VanDerWaalsContact O-N 3.1Å; R424-E428 WeakPolarHBondContact O-CB 3.19Å; R424-E428 VanDerWaalsContact O-CG 3.23Å; R424-E428 WeakPolarHBondContact O-CG 3.47Å; R424-E428 PolarHBondContact O-N 2.84Å |
| 425 | R | 93.6 | Very high | 85.1 | Confident | 188 Ų | 188 | 105.3 Ų | 105.3 | 71% | 0.709 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -31.9 | 178.4 | -173.9 | 176.5 | -70.8 | 163.1 | -3.2 | 113.2 | A421 T422 G429 | A421-R425 WeakPolarHBondContact O-CB 3.22Å; A421-R425 PolarHBondContact O-N 3.38Å; T422-R425 PolarHBondContact O-N 3.35Å; R425-G429 PolarHBondContact O-N 2.84Å; R425-G429 VanDerWaalsContact O-N 3.09Å |
| 426 | L | 92.8 | Very high | 82.6 | Confident | 118 Ų | 118 | 111.6 Ų | 111.6 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70 | -43.3 | 173 | -74.6 | 167 | 0 | 0 | 0 | 111.8 | T422 Y423 R424 G429 E430 | T422-L426 WeakPolarHBondContact O-CG 3.19Å; T422-L426 PolarHBondContact O-N 2.85Å; Y423-L426 PolarHBondContact O-N 3.47Å; R424-L426 PolarHBondContact O-N 2.86Å; L426-G429 PolarHBondContact O-N 2.73Å; L426-E430 PolarHBondContact O-N 2.88Å |
| 427 | L | 90.8 | Very high | 80.1 | Confident | 108 Ų | 108 | 109.9 Ų | 109.9 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.2 | -45.2 | 175.4 | -71.2 | 165.1 | 0 | 0 | 0 | 111.9 | Y423 R424 G429 E430 E431 | Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 2.99Å; R424-L427 PolarHBondContact O-N 2.91Å; R424-L427 VanDerWaalsContact O-N 3.1Å; L427-G429 PolarHBondContact O-N 3.15Å; L427-E430 PolarHBondContact O-N 3.2Å; L427-E430 VanDerWaalsContact O-N 3.11Å; L427-E431 WeakPolarHBondContact O-CG 3.22Å; L427-E431 PolarHBondContact O-N 2.85Å |
| 428 | E | 87.4 | Confident | 77.8 | Confident | 96 Ų | 96 | 114.3 Ų | 114.3 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -54.5 | -40.5 | 171.9 | -70.8 | 157.9 | -161.5 | 0 | 0 | 110.7 | R424 E431 H432 | R424-E428 WeakPolarHBondContact O-CB 3.19Å; R424-E428 VanDerWaalsContact O-CG 3.23Å; R424-E428 WeakPolarHBondContact O-CG 3.47Å; R424-E428 PolarHBondContact O-N 2.84Å; E428-E431 PolarHBondContact O-N 2.82Å; E428-H432 PolarHBondContact O-N 3.4Å; E428-H432 PolarHBondContact O-ND1 3.26Å |
| 429 | G | 79.4 | Confident | 75.1 | Confident | 34 Ų | 34 | 112.2 Ų | 112.2 | 35% | 0.351 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.1 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R425 L426 L427 H432 R433 | R425-G429 PolarHBondContact O-N 2.84Å; R425-G429 VanDerWaalsContact O-N 3.09Å; L426-G429 PolarHBondContact O-N 2.73Å; L427-G429 PolarHBondContact O-N 3.15Å; G429-H432 PolarHBondContact O-N 2.7Å; G429-R433 WeakPolarHBondContact O-CG 3.45Å; G429-R433 PolarHBondContact O-N 3.05Å |
| 430 | E | 75.8 | Confident | 72.4 | Confident | 96 Ų | 96 | 113 Ų | 113 | 45% | 0.449 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.8 | -42.2 | 170.9 | -76.7 | -78.8 | 95 | 0 | 0 | 111.3 | L426 L427 H432 R433 L434 | L426-E430 PolarHBondContact O-N 2.88Å; L427-E430 PolarHBondContact O-N 3.2Å; L427-E430 VanDerWaalsContact O-N 3.11Å; E430-H432 VanDerWaalsContact C-N 3.33Å; E430-H432 PolarHBondContact O-N 3.42Å; E430-R433 CarbonylContact O-C 3.58Å; E430-R433 WeakPolarHBondContact O-CB 3.27Å; E430-R433 PolarHBondContact O-N 3.23Å; E430-R433 VanDerWaalsContact O-N 3.13Å; E430-R433 IonicContact OE1-CZ 3.67Å; E430-R433 IonicContact OE1-NH1 2.64Å; E430-R433 PolarHBondContact OE1-NH1 2.88Å; E430-L434 WeakPolarHBondContact O-CG 3.38Å; E430-L434 PolarHBondContact O-N 3.31Å |
| 431 | E | 69.3 | Low | 69.8 | Low | 122 Ų | 122 | 115.2 Ų | 115.2 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.5 | -40 | 175.1 | -72.7 | 174.6 | 179.1 | 0 | 0 | 111.5 | L427 E428 L434 C435 | L427-E431 WeakPolarHBondContact O-CG 3.22Å; L427-E431 PolarHBondContact O-N 2.85Å; E428-E431 PolarHBondContact O-N 2.82Å; E431-L434 PolarHBondContact O-N 3.45Å; E431-L434 VanDerWaalsContact O-N 3.15Å; E431-C435 PolarHBondContact O-N 3.04Å |
| 432 | H | 60.6 | Low | 67 | Low | 131 Ų | 131 | 120 Ų | 120 | 61% | 0.606 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.9 | -41.6 | 172.4 | -75.9 | 53.5 | 0 | 0 | 0 | 111.7 | E428 G429 E430 L434 C435 E436 | E428-H432 PolarHBondContact O-N 3.4Å; E428-H432 PolarHBondContact O-ND1 3.26Å; G429-H432 PolarHBondContact O-N 2.7Å; E430-H432 VanDerWaalsContact C-N 3.33Å; E430-H432 PolarHBondContact O-N 3.42Å; H432-L434 PolarHBondContact O-N 3.38Å; H432-C435 PolarHBondContact O-N 3.37Å; H432-E436 PolarHBondContact O-N 2.84Å |
| 433 | R | 61.8 | Low | 64.4 | Low | 178 Ų | 178 | 122.6 Ų | 122.6 | 67% | 0.672 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.5 | -19.8 | 173.8 | -70 | 177.9 | 67.8 | -144.5 | -2.7 | 114.2 | G429 E430 | G429-R433 WeakPolarHBondContact O-CG 3.45Å; G429-R433 PolarHBondContact O-N 3.05Å; E430-R433 CarbonylContact O-C 3.58Å; E430-R433 WeakPolarHBondContact O-CB 3.27Å; E430-R433 PolarHBondContact O-N 3.23Å; E430-R433 VanDerWaalsContact O-N 3.13Å; E430-R433 IonicContact OE1-CZ 3.67Å; E430-R433 IonicContact OE1-NH1 2.64Å; E430-R433 PolarHBondContact OE1-NH1 2.88Å |
| 434 | L | 55.9 | Low | 61.6 | Low | 142 Ų | 142 | 121.4 Ų | 121.4 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -93.1 | -26.5 | 177 | -69.5 | 168 | 0 | 0 | 0 | 112.4 | E430 E431 H432 | E430-L434 WeakPolarHBondContact O-CG 3.38Å; E430-L434 PolarHBondContact O-N 3.31Å; E431-L434 PolarHBondContact O-N 3.45Å; E431-L434 VanDerWaalsContact O-N 3.15Å; H432-L434 PolarHBondContact O-N 3.38Å |
| 435 | C | 54.1 | Low | 59.2 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 78% | 0.784 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -82.5 | -38.8 | 171.3 | -73.6 | 0 | 0 | 0 | 0 | 113.3 | E431 H432 G437 | E431-C435 PolarHBondContact O-N 3.04Å; H432-C435 PolarHBondContact O-N 3.37Å; C435-G437 PolarHBondContact O-N 2.91Å |
| 436 | E | 45.1 | Very low | 56.5 | Low | 162 Ų | 162 | 117 Ų | 117 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -85.1 | 81.8 | 171.1 | -67.7 | -165 | 135.3 | 0 | 0 | 110.4 | H432 V438 | H432-E436 PolarHBondContact O-N 2.84Å; E436-V438 PolarHBondContact O-N 3.13Å |
| 437 | G | 44.4 | Very low | 54.1 | Low | 59 Ų | 59 | 116.7 Ų | 116.7 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 126.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C435 G439 | C435-G437 PolarHBondContact O-N 2.91Å; G437-G439 PolarHBondContact O-N 2.94Å |
| 438 | V | 48.8 | Very low | 52 | Low | 151 Ų | 151 | 116.3 Ų | 116.3 | 92% | 0.915 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.9 | 53.1 | 157.5 | -160.7 | 0 | 0 | 0 | 0 | 115 | E436 | E436-V438 PolarHBondContact O-N 3.13Š|
| 439 | G | 40.5 | Very low | 49.8 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 142.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G437 | G437-G439 PolarHBondContact O-N 2.94Š|
| 440 | S | 40.5 | Very low | 48 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137.5 | -171.8 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 441 | V | 41.5 | Very low | 46.3 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 129.5 | 170.3 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | V443 | V441-V443 HydrophobicContact CG1-CG2 3.82Š|
| 442 | N | 39 | Very low | 44.9 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -122 | 102.6 | 164.4 | -101.4 | -31.3 | 0 | 0 | 0 | 109.6 | ||||
| 443 | V | 38.7 | Very low | 43.8 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -85.3 | 121.9 | 172 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | V441 V445 | V441-V443 HydrophobicContact CG1-CG2 3.82Å; V443-V445 HydrophobicContact CG1-CG2 4.16Å | ||
| 444 | C | 38 | Very low | 42.5 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -108.2 | 115.2 | 166.2 | -167.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 445 | V | 45.3 | Very low | 41.6 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -84.6 | 137.8 | 172.5 | 176.9 | 0 | 0 | 0 | 0 | 109 | V443 | V443-V445 HydrophobicContact CG1-CG2 4.16Š| ||
| 446 | S | 36.7 | Very low | 40.6 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -147.8 | 153.1 | 165.4 | -85 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 447 | S | 41.7 | Very low | 40.4 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -104.9 | 153.8 | -155 | -171.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 448 | S | 48.4 | Very low | 39.8 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -5.1 | 138.9 | 163.7 | 61 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 449 | R | 40.6 | Very low | 39.2 | Very low | 255 Ų | 255 | 125.8 Ų | 125.8 | 96% | 0.962 | 82% | 0.815 | S | S | * | * | -149.7 | 144.6 | 120.6 | -110.4 | 169.3 | 178.7 | -167.3 | -3 | 109.8 | |||||
| 450 | G | 42.5 | Very low | 39.2 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -100.2 | 163.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 451 | G | 38.8 | Very low | 38.8 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -140.2 | 136.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 452 | V | 40.4 | Very low | 38.7 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 92% | 0.915 | 82% | 0.82 | S | S | * | * | trans | -86.6 | 146 | -166.4 | 171.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 453 | S | 37.9 | Very low | 39.2 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -79.6 | 139.5 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 454 | S | 34.8 | Very low | 38.8 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | -169.5 | 138.3 | 127.4 | -78.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 455 | G | 36.9 | Very low | 38.8 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | cis | 126.1 | 100 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 456 | G | 32.9 | Very low | 38.2 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | 168.8 | 89.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 457 | L | 41.2 | Very low | 38.5 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 94% | 0.942 | 83% | 0.829 | S | S | * | * | trans | -104.7 | 136.4 | 170.1 | -82.7 | 165.7 | 0 | 0 | 0 | 109.9 | ||||
| 458 | S | 31.5 | Very low | 37.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -151.1 | 149.6 | 161.1 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 459 | Y | 34.8 | Very low | 37.2 | Very low | 236 Ų | 236 | 135.9 Ų | 135.9 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | -69.7 | 166.6 | -160.8 | -112.8 | -111.7 | 0 | 0 | 0 | 117.2 | ||||
| 460 | S | 41.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -57 | 153.9 | 175.7 | -41.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 461 | T | 32.1 | Very low | 36.7 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -162.6 | 127.3 | 134 | -73.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 462 | T | 39.3 | Very low | 36.4 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | -94.4 | 155.4 | 160.7 | 45 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 463 | P | 48.8 | Very low | 36.1 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | cis | -140.4 | 179.3 | 35.9 | 41.7 | -23 | 0 | 0 | 0 | 116.2 | ||||
| 464 | G | 31.5 | Very low | 36 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | 172.6 | 92.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 465 | R | 38.1 | Very low | 35.8 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | -90.6 | 119.9 | 171.8 | 173.5 | -154.9 | -171.5 | -173.1 | 12.4 | 110 | ||||
| 466 | Q | 30.9 | Very low | 35.5 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -162.8 | 163.4 | 139.7 | -115.1 | 169.1 | 13 | 0 | 0 | 113.2 | ||||
| 467 | I | 42.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | trans | -122.8 | 118.8 | -175.3 | -62.2 | 169 | 0 | 0 | 0 | 108.4 | ||||
| 468 | T | 29.7 | Very low | 35.1 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -142.6 | 108.5 | 158.7 | 46.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 469 | S | 35 | Very low | 35.2 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | 66.9 | 92.5 | 73.5 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 470 | G | 30.4 | Very low | 35.1 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -164.7 | 107 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 471 | P | 40.5 | Very low | 34.8 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -93.5 | 161.3 | -174.6 | 36 | -34.8 | 0 | 0 | 0 | 113.3 | ||||
| 472 | S | 32.4 | Very low | 34.9 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -125.8 | 143.6 | 159.9 | -78.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 473 | A | 34.9 | Very low | 35.3 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -108 | 143.5 | -160 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 474 | I | 35 | Very low | 34.6 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 92% | 0.923 | 81% | 0.811 | S | S | * | * | trans | -159.8 | 136.3 | 145.5 | -81.7 | 127.4 | 0 | 0 | 0 | 103.6 | ||||
| 475 | G | 31.6 | Very low | 34.8 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | cis | 158.3 | 101.7 | -2.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 476 | G | 30.8 | Very low | 34.6 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -171.1 | 141.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 477 | S | 36.3 | Very low | 35 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -102 | 136.8 | -167.5 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 478 | F | 28.6 | Very low | 35.1 | Very low | 179 Ų | 179 | 121.9 Ų | 121.9 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -146.5 | 143.2 | 150.9 | 179.7 | -115.8 | 0 | 0 | 0 | 109.6 | V480 | F478-V480 HydrophobicContact CD1-CG2 4.1Å; F478-V480 HydrophobicContact CE1-CG2 3.49Å; F478-V480 VanDerWaalsContact CE1-CG2 3.49Å; F478-V480 HydrophobicContact CZ-CG2 4.22Å | ||
| 479 | T | 34.7 | Very low | 35.6 | Very low | 114 Ų | 114 | 122 Ų | 122 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -105.2 | 120.2 | -173 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 480 | V | 31.3 | Very low | 35.7 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -132.9 | 138.3 | 157.8 | -175.9 | 0 | 0 | 0 | 0 | 107.3 | F478 | F478-V480 HydrophobicContact CD1-CG2 4.1Å; F478-V480 HydrophobicContact CE1-CG2 3.49Å; F478-V480 VanDerWaalsContact CE1-CG2 3.49Å; F478-V480 HydrophobicContact CZ-CG2 4.22Å | ||
| 481 | M | 37.3 | Very low | 36.4 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 142 | -179.4 | -55.2 | -162 | 95.4 | 0 | 0 | 111.1 | ||
| 482 | A | 33.6 | Very low | 36.2 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 140.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 483 | P | 47.9 | Very low | 36.3 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 148.8 | 155.6 | 34.5 | -31.9 | 0 | 0 | 0 | 109.2 | ||
| 484 | D | 33.6 | Very low | 36.4 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | -149.8 | 146.6 | 174.8 | -144.4 | -34.8 | 0 | 0 | 0 | 114.5 | ||||
| 485 | S | 34.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | 59.8 | 101.5 | 155.1 | -70.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 486 | C | 35 | Very low | 36.5 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 96% | 0.959 | 82% | 0.816 | S | S | * | * | trans | -83.7 | 129.9 | 161.5 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 487 | A | 38.3 | Very low | 36.6 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -156.8 | 162.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 488 | P | 46.2 | Very low | 36.5 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | -113.6 | 167.8 | -97.3 | 38.6 | -30.6 | 0 | 0 | 0 | 114.6 | |||||
| 489 | C | 39.9 | Very low | 36.8 | Very low | 132 Ų | 132 | 133 Ų | 133 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | trans | -64.8 | 141 | -179 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 490 | Q | 36.4 | Very low | 37.1 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -122.3 | 143.7 | 158.7 | -77.6 | -165.2 | -11.5 | 0 | 0 | 110.8 | ||||
| 491 | P | 46.5 | Very low | 37.4 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -78.4 | 133.7 | 178 | 31.8 | -33.7 | 0 | 0 | 0 | 111.5 | ||||
| 492 | R | 35.4 | Very low | 37.8 | Very low | 249 Ų | 249 | 136 Ų | 136 | 94% | 0.94 | 83% | 0.827 | S | S | * | * | trans | -81.8 | 114.8 | 166.5 | -83.8 | -171.3 | 167.7 | -152 | -2.6 | 110.4 | ||||
| 493 | S | 34.2 | Very low | 38.1 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -78.3 | 120.4 | 167.7 | 41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 494 | S | 37.9 | Very low | 38 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | trans | -100.8 | 87.9 | 170.8 | 43.4 | 0 | 0 | 0 | 0 | 110.4 | F496 | S494-F496 PolarHBondContact O-N 3.39Š| ||
| 495 | S | 33.4 | Very low | 38.7 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | trans | -74.5 | 103.3 | 178.4 | 54.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 496 | F | 34.2 | Very low | 39 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 90% | 0.895 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 120.8 | 160.9 | -84.3 | -79 | 0 | 0 | 0 | 109.9 | S494 | S494-F496 PolarHBondContact O-N 3.39Š|
| 497 | S | 32.4 | Very low | 40 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 130.8 | -174.7 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | G499 | S497-G499 PolarHBondContact O-N 3.33Š|
| 498 | C | 35 | Very low | 40.1 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 89% | 0.892 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 118.4 | 165.5 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 499 | G | 35.3 | Very low | 39.7 | Very low | 69 Ų | 69 | 152.2 Ų | 152.2 | 71% | 0.711 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -95 | 131.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | S497 | S497-G499 PolarHBondContact O-N 3.33Š|
| 500 | S | 40.1 | Very low | 39.7 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 84% | 0.839 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -56 | 144.7 | -167 | -55.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 501 | S | 37.3 | Very low | 39.9 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 85% | 0.853 | 87% | 0.872 | S | S | * | * | trans | -44.3 | 143 | 159.9 | -40.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 502 | R | 47.4 | Very low | 39.5 | Very low | 245 Ų | 245 | 153.2 Ų | 153.2 | 93% | 0.925 | 88% | 0.875 | S | S | * | * | trans | -132.2 | 118.8 | 159.4 | -126.3 | 180 | -176.1 | -170.2 | 0.8 | 110.3 | ||||
| 503 | S | 38.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 87% | 0.871 | S | S | * | * | trans | -92 | 131.5 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 504 | V | 46.3 | Very low | 40.2 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 82% | 0.818 | 88% | 0.875 | S | S | * | * | trans | -136.1 | 150.8 | 164.5 | -174 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 505 | R | 47.3 | Very low | 40.3 | Very low | 234 Ų | 234 | 152.5 Ų | 152.5 | 88% | 0.883 | 89% | 0.887 | S | S | * | * | trans | -89.5 | 166.2 | -161.8 | -62.4 | 175.6 | 179.7 | 138.6 | -2 | 113.9 | ||||
| 506 | F | 42.2 | Very low | 40.9 | Very low | 210 Ų | 210 | 156.1 Ų | 156.1 | 92% | 0.921 | 90% | 0.897 | S | S | * | * | trans | -41.6 | 140.7 | 158.4 | -76.6 | -100.1 | 0 | 0 | 0 | 113.7 | ||||
| 507 | A | 54.9 | Low | 41.5 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 100% | 1.413 | 90% | 0.897 | S | S | * | * | -135.2 | 0 | 124.5 | 0 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 507 of 507 residues in 97 ms
(Link to these results)