| 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 | 36.7 | Very low | 35.9 | Very low | 233 Ų | 233 | 173.4 Ų | 173.4 | 100% | 1.148 | 87% | 0.867 | S | S | * | * | 0 | 153 | 0 | -103.2 | -164.7 | -171.8 | 0 | 0 | 109.3 | |||||
| 2 | L | 36.1 | Very low | 35.6 | Very low | 162 Ų | 162 | 171.8 Ų | 171.8 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | trans | 63.3 | 127.2 | 174.5 | -81.5 | 91.8 | 0 | 0 | 0 | 120 | ||||
| 3 | L | 36.1 | Very low | 36 | Very low | 152 Ų | 152 | 167.3 Ų | 167.3 | 80% | 0.796 | 85% | 0.846 | S | S | * | * | trans | -79.3 | 162 | 167.5 | -57.3 | 77.8 | 0 | 0 | 0 | 110.4 | ||||
| 4 | R | 39.1 | Very low | 36.1 | Very low | 249 Ų | 249 | 169.6 Ų | 169.6 | 94% | 0.94 | 85% | 0.848 | S | S | * | * | trans | -138.9 | 124.4 | 141.3 | -163 | 169.7 | -175.7 | 170.3 | 1.2 | 111 | ||||
| 5 | T | 39.8 | Very low | 36 | Very low | 126 Ų | 126 | 163.3 Ų | 163.3 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -93.3 | 154.2 | -179.7 | 44.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 6 | G | 32.3 | Very low | 36.5 | Very low | 77 Ų | 77 | 165.9 Ų | 165.9 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | trans | -163.3 | 127.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | R | 33.3 | Very low | 36.8 | Very low | 252 Ų | 252 | 170.5 Ų | 170.5 | 95% | 0.951 | 85% | 0.85 | S | S | * | * | trans | -96.4 | 166 | -170.3 | -104.1 | -174.5 | 174.6 | -179.9 | -0.8 | 113 | ||||
| 8 | P | 44.8 | Very low | 37.1 | Very low | 124 Ų | 124 | 170.2 Ų | 170.2 | 81% | 0.805 | 85% | 0.85 | S | S | * | * | trans | -92.9 | 165.5 | -163.1 | 37.5 | -37.9 | 0 | 0 | 0 | 114.6 | ||||
| 9 | Q | 31.2 | Very low | 37.4 | Very low | 179 Ų | 179 | 169.7 Ų | 169.7 | 84% | 0.836 | 85% | 0.849 | S | S | * | * | trans | -132.1 | 109.8 | 172 | -170.5 | 162.8 | -14.3 | 0 | 0 | 113.7 | ||||
| 10 | Q | 33.6 | Very low | 37.7 | Very low | 175 Ų | 175 | 172.9 Ų | 172.9 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | trans | 40.7 | 130.6 | 149.9 | -68.9 | -177.3 | -12.1 | 0 | 0 | 123.1 | ||||
| 11 | Q | 32.3 | Very low | 38.6 | Very low | 178 Ų | 178 | 170.5 Ų | 170.5 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | trans | -74.4 | 148.8 | 166.7 | -59 | 161.6 | -11.6 | 0 | 0 | 112.2 | ||||
| 12 | Q | 31.8 | Very low | 39.3 | Very low | 155 Ų | 155 | 169.3 Ų | 169.3 | 72% | 0.724 | 84% | 0.837 | S | S | * | * | trans | -137.8 | 115.8 | 159.3 | -83.1 | -67.3 | -31.3 | 0 | 0 | 110.3 | ||||
| 13 | P | 41.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 171.3 Ų | 171.3 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | trans | -110.6 | 107.4 | 178.1 | 35.2 | -25.6 | 0 | 0 | 0 | 112.2 | ||||
| 14 | K | 36.3 | Very low | 41.1 | Very low | 200 Ų | 200 | 168.4 Ų | 168.4 | 87% | 0.87 | 84% | 0.836 | S | S | * | * | trans | -140.9 | 129.9 | 172.4 | -68 | -172.2 | -178.6 | 175.4 | 0 | 112.5 | ||||
| 15 | G | 34.7 | Very low | 41.7 | Very low | 74 Ų | 74 | 161.3 Ų | 161.3 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | 171.7 | 9.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | R17 | G15-R17 PolarHBondContact O-N 3.18Š| ||
| 16 | K | 44.9 | Very low | 42.7 | Very low | 206 Ų | 206 | 159.3 Ų | 159.3 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -75.2 | 116 | 174.6 | -67.8 | -176.7 | -179.3 | 179.6 | 0 | 109.6 | L18 | K16-L18 PolarHBondContact O-N 3.03Š| ||
| 17 | R | 40.8 | Very low | 44.1 | Very low | 243 Ų | 243 | 161.5 Ų | 161.5 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.3 | 176.6 | -66.7 | -179.3 | 179 | 178 | -0.9 | 110 | G15 I19 | G15-R17 PolarHBondContact O-N 3.18Å; R17-I19 PolarHBondContact O-N 3.11Å |
| 18 | L | 42 | Very low | 45.2 | Very low | 165 Ų | 165 | 158.6 Ų | 158.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130 | 173.2 | -88 | 71.9 | 0 | 0 | 0 | 110.3 | K16 R20 | K16-L18 PolarHBondContact O-N 3.03Å; L18-R20 PolarHBondContact O-N 2.82Å |
| 19 | I | 43.4 | Very low | 46.3 | Very low | 162 Ų | 162 | 160.4 Ų | 160.4 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 118.7 | 164.8 | -62.1 | 170.2 | 0 | 0 | 0 | 106.7 | R17 | R17-I19 PolarHBondContact O-N 3.11Š|
| 20 | R | 43.8 | Very low | 47.9 | Very low | 233 Ų | 233 | 159.1 Ų | 159.1 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.7 | 174.1 | -76.4 | -178.3 | 172.3 | 175.5 | -2.9 | 109.2 | L18 | L18-R20 PolarHBondContact O-N 2.82Š|
| 21 | P | 55.8 | Low | 49.1 | Very low | 122 Ų | 122 | 159.8 Ų | 159.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 141.4 | 172.1 | 26.5 | -32.8 | 0 | 0 | 0 | 110.4 | K23 | P21-K23 PolarHBondContact O-N 2.9Š|
| 22 | K | 50.7 | Low | 49.7 | Very low | 209 Ų | 209 | 157.2 Ų | 157.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.7 | -179.5 | -164.3 | 175.7 | -177.6 | -177.9 | 0 | 108.7 | A24 | K22-A24 PolarHBondContact O-N 3.2Å; K22-A24 VanDerWaalsContact O-N 3.16Å |
| 23 | K | 57.8 | Low | 51.1 | Low | 204 Ų | 204 | 155.6 Ų | 155.6 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 117.2 | -177.8 | -166.5 | 175.2 | -176.1 | -179.7 | 0 | 109.3 | P21 | P21-K23 PolarHBondContact O-N 2.9Š|
| 24 | A | 53.7 | Low | 52 | Low | 90 Ų | 90 | 155.3 Ų | 155.3 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | K22 A26 | K22-A24 PolarHBondContact O-N 3.2Å; K22-A24 VanDerWaalsContact O-N 3.16Å; A24-A26 PolarHBondContact O-N 3.35Å |
| 25 | A | 51.3 | Low | 52.8 | Low | 100 Ų | 100 | 152.6 Ų | 152.6 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 26 | A | 61.3 | Low | 53.8 | Low | 84 Ų | 84 | 155 Ų | 155 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 143.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A24 K28 | A24-A26 PolarHBondContact O-N 3.35Å; A26-K28 PolarHBondContact O-N 3.22Å |
| 27 | P | 60.3 | Low | 54.5 | Low | 123 Ų | 123 | 150.3 Ų | 150.3 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.4 | 170.1 | 25.8 | -33 | 0 | 0 | 0 | 108.4 | K29 | P27-K29 PolarHBondContact O-N 3.34Š|
| 28 | K | 58.1 | Low | 55.5 | Low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127 | 172.1 | -71 | -179.9 | 179.7 | 176.2 | 0 | 106.9 | A26 | A26-K28 PolarHBondContact O-N 3.22Š|
| 29 | K | 67.8 | Low | 56.3 | Low | 162 Ų | 162 | 137.9 Ų | 137.9 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 121.3 | -178.3 | -166.7 | -179.9 | 158.6 | -172.9 | 0 | 106.1 | P27 W31 | P27-K29 PolarHBondContact O-N 3.34Å; K29-W31 VanDerWaalsContact C-CD1 3.49Å; K29-W31 HydrophobicContact CD-CZ2 4.11Å; K29-W31 PolarHBondContact O-N 2.9Å; K29-W31 VanDerWaalsContact O-N 3.14Å |
| 30 | D | 63.8 | Low | 57.1 | Low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -78.3 | 99.1 | -171.2 | -59.6 | -47.1 | 0 | 0 | 0 | 111.1 | ||||
| 31 | W | 58.1 | Low | 57.8 | Low | 190 Ų | 190 | 131.8 Ų | 131.8 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | -103.9 | 99.7 | -179.6 | -62.1 | 26.3 | 0 | 0 | 0 | 107.4 | K29 | K29-W31 VanDerWaalsContact C-CD1 3.49Å; K29-W31 HydrophobicContact CD-CZ2 4.11Å; K29-W31 PolarHBondContact O-N 2.9Å; K29-W31 VanDerWaalsContact O-N 3.14Å | ||
| 32 | V | 45 | Very low | 58.6 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | trans | 62.7 | 77.7 | 167.6 | -160.8 | 0 | 0 | 0 | 0 | 114.3 | T34 | V32-T34 PolarHBondContact O-N 2.97Š| ||
| 33 | S | 61.3 | Low | 59.6 | Low | 121 Ų | 121 | 125.8 Ų | 125.8 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | trans | -79.6 | 46.8 | 173.2 | -176 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 34 | T | 60.2 | Low | 60.8 | Low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | trans | -148.1 | 148.1 | 173.3 | 25.5 | 0 | 0 | 0 | 0 | 110.7 | V32 | V32-T34 PolarHBondContact O-N 2.97Š| ||
| 35 | V | 53.5 | Low | 62.2 | Low | 143 Ų | 143 | 120.8 Ų | 120.8 | 87% | 0.867 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 76.4 | 107.2 | -172.5 | -167.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 36 | N | 55.8 | Low | 63.6 | Low | 123 Ų | 123 | 119.2 Ų | 119.2 | 66% | 0.658 | 66% | 0.663 | S | S | * | * | trans | 59.7 | 88.4 | 172.6 | -134.1 | 44.3 | 0 | 0 | 0 | 114.9 | L38 | N36-L38 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 3.06Å | ||
| 37 | D | 59.5 | Low | 64.7 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | trans | -66.3 | 97.4 | 168.2 | -173.5 | 9.7 | 0 | 0 | 0 | 109.8 | S39 V40 | D37-S39 VanDerWaalsContact CG-CB 3.45Å; D37-S39 PolarHBondContact O-N 2.99Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 3.47Å; D37-S39 PolarHBondContact OD1-OG 3.05Å; D37-S39 VanDerWaalsContact OD2-CB 3.24Å; D37-S39 WeakPolarHBondContact OD2-CB 3.49Å; D37-S39 PolarHBondContact OD2-OG 3.46Å; D37-V40 PolarHBondContact O-N 3.39Å | ||
| 38 | L | 62.7 | Low | 66 | Low | 95 Ų | 95 | 116 Ų | 116 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -62.3 | 0.9 | 174.6 | -62.5 | 174.4 | 0 | 0 | 0 | 112.3 | N36 V40 H41 K42 | N36-L38 VanDerWaalsContact C-N 3.34Å; N36-L38 PolarHBondContact O-N 3.06Å; L38-V40 PolarHBondContact O-N 3.22Å; L38-H41 CarbonylContact O-C 3.58Å; L38-H41 PolarHBondContact O-N 3.44Å; L38-K42 WeakPolarHBondContact O-CG 3.26Å; L38-K42 PolarHBondContact O-N 3.08Å |
| 39 | S | 59.4 | Low | 67.1 | Low | 52 Ų | 52 | 110.7 Ų | 110.7 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -52.8 | -32.9 | 163.7 | 76.1 | 0 | 0 | 0 | 0 | 113 | D37 H41 K42 | D37-S39 VanDerWaalsContact CG-CB 3.45Å; D37-S39 PolarHBondContact O-N 2.99Å; D37-S39 WeakPolarHBondContact OD1-CB 3.4Å; D37-S39 PolarHBondContact OD1-N 3.47Å; D37-S39 PolarHBondContact OD1-OG 3.05Å; D37-S39 VanDerWaalsContact OD2-CB 3.24Å; D37-S39 WeakPolarHBondContact OD2-CB 3.49Å; D37-S39 PolarHBondContact OD2-OG 3.46Å; S39-H41 PolarHBondContact O-N 3.1Å; S39-H41 VanDerWaalsContact O-N 3.14Å; S39-K42 CarbonylContact O-C 3.5Å; S39-K42 PolarHBondContact O-N 2.87Å |
| 40 | V | 58.4 | Low | 67.8 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -61 | -25.1 | 174.7 | -175 | 0 | 0 | 0 | 0 | 112 | D37 L38 | D37-V40 PolarHBondContact O-N 3.39Å; L38-V40 PolarHBondContact O-N 3.22Å |
| 41 | H | 58.9 | Low | 69.1 | Low | 141 Ų | 141 | 106.3 Ų | 106.3 | 65% | 0.653 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -103.8 | -8.9 | 173.5 | -60.6 | -53.2 | 0 | 0 | 0 | 113.9 | L38 S39 L43 | L38-H41 CarbonylContact O-C 3.58Å; L38-H41 PolarHBondContact O-N 3.44Å; S39-H41 PolarHBondContact O-N 3.1Å; S39-H41 VanDerWaalsContact O-N 3.14Å; H41-L43 PolarHBondContact O-N 3.48Å |
| 42 | K | 73.4 | Confident | 70.3 | Confident | 141 Ų | 141 | 103.2 Ų | 103.2 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -82.2 | 108.6 | 168.1 | -66.1 | 167.1 | -164.6 | 153.1 | 0 | 106.8 | L38 S39 T44 | L38-K42 WeakPolarHBondContact O-CG 3.26Å; L38-K42 PolarHBondContact O-N 3.08Å; S39-K42 CarbonylContact O-C 3.5Å; S39-K42 PolarHBondContact O-N 2.87Å; K42-T44 PolarHBondContact O-N 3.22Å |
| 43 | L | 71.4 | Confident | 72.2 | Confident | 65 Ų | 65 | 102.7 Ų | 102.7 | 34% | 0.34 | 57% | 0.566 | S | S | . | * | trans | -43.1 | 126.4 | 170.2 | -74.6 | 61.5 | 0 | 0 | 0 | 109.3 | H41 E47 L48 R51 | H41-L43 PolarHBondContact O-N 3.48Å; L43-E47 HydrophobicContact CB-CB 4.41Å; L43-E47 HydrophobicContact CB-CG 4Å; L43-E47 HydrophobicContact CD2-CG 4.26Å; L43-E47 HydrophobicContact CG-CG 4.1Å; L43-L48 HydrophobicContact CB-CD1 4.49Å; L43-L48 HydrophobicContact CB-CD2 3.93Å; L43-L48 HydrophobicContact CB-CG 3.76Å; L43-L48 HydrophobicContact CD2-CD2 3.82Å; L43-L48 HydrophobicContact CD2-CG 4.47Å; L43-R51 VanDerWaalsContact CD2-CZ 3.48Å | ||
| 44 | T | 83.3 | Confident | 73.1 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | trans | -45.7 | 144.9 | 177.3 | -49.4 | 0 | 0 | 0 | 0 | 110 | K42 A46 E47 L48 | K42-T44 PolarHBondContact O-N 3.22Å; T44-A46 HydrophobicContact CG2-CB 4.16Å; T44-A46 PolarHBondContact O-N 2.79Å; T44-A46 VanDerWaalsContact O-N 3.12Å; T44-E47 CarbonylContact O-C 3.55Å; T44-E47 WeakPolarHBondContact O-CA 3.24Å; T44-E47 WeakPolarHBondContact O-CB 3.39Å; T44-E47 PolarHBondContact O-N 3.01Å; T44-L48 PolarHBondContact O-N 3.45Å | ||
| 45 | S | 81.9 | Confident | 74.1 | Confident | 93 Ų | 93 | 104.2 Ų | 104.2 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -52.8 | -37.6 | 177.3 | 51 | 0 | 0 | 0 | 0 | 112.3 | C49 | S45-C49 WeakPolarHBondContact O-CB 3.42Å; S45-C49 PolarHBondContact O-N 2.68Å; S45-C49 PolarHBondContact O-SG 3.38Å |
| 46 | A | 81.8 | Confident | 75.3 | Confident | 66 Ų | 66 | 102.5 Ų | 102.5 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T44 C49 H50 | T44-A46 HydrophobicContact CG2-CB 4.16Å; T44-A46 PolarHBondContact O-N 2.79Å; T44-A46 VanDerWaalsContact O-N 3.12Å; A46-C49 CarbonylContact O-C 3.54Å; A46-C49 WeakPolarHBondContact O-CB 3.46Å; A46-C49 PolarHBondContact O-N 2.87Å; A46-H50 WeakPolarHBondContact O-CB 3.44Å; A46-H50 PolarHBondContact O-N 3.5Å |
| 47 | E | 84.7 | Confident | 76.3 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 29% | 0.294 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 177.6 | 173.5 | 62 | -173.5 | 0 | 0 | 112.1 | L43 T44 H50 R51 | L43-E47 HydrophobicContact CB-CB 4.41Å; L43-E47 HydrophobicContact CB-CG 4Å; L43-E47 HydrophobicContact CD2-CG 4.26Å; L43-E47 HydrophobicContact CG-CG 4.1Å; T44-E47 CarbonylContact O-C 3.55Å; T44-E47 WeakPolarHBondContact O-CA 3.24Å; T44-E47 WeakPolarHBondContact O-CB 3.39Å; T44-E47 PolarHBondContact O-N 3.01Å; E47-H50 PolarHBondContact O-N 3.03Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 3.36Å; E47-R51 IonicContact OE1-CZ 3.15Å; E47-R51 IonicContact OE1-NE 3.18Å; E47-R51 PolarHBondContact OE1-NE 3.26Å; E47-R51 IonicContact OE1-NH2 3.34Å; E47-R51 PolarHBondContact OE1-NH2 3.46Å |
| 48 | L | 85.9 | Confident | 76.7 | Confident | 78 Ų | 78 | 104.5 Ų | 104.5 | 41% | 0.408 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 170.2 | -76.2 | 173.5 | 0 | 0 | 0 | 111.6 | L43 T44 H50 H52 | L43-L48 HydrophobicContact CB-CD1 4.49Å; L43-L48 HydrophobicContact CB-CD2 3.93Å; L43-L48 HydrophobicContact CB-CG 3.76Å; L43-L48 HydrophobicContact CD2-CD2 3.82Å; L43-L48 HydrophobicContact CD2-CG 4.47Å; T44-L48 PolarHBondContact O-N 3.45Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-H52 WeakPolarHBondContact O-CB 3.29Å; L48-H52 VanDerWaalsContact O-CG 3.29Å; L48-H52 PolarHBondContact O-N 2.93Å; L48-H52 PolarHBondContact O-ND1 3.44Å |
| 49 | C | 82.9 | Confident | 77.5 | Confident | 79 Ų | 79 | 104.5 Ų | 104.5 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 173.9 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | S45 A46 H52 E53 | S45-C49 WeakPolarHBondContact O-CB 3.42Å; S45-C49 PolarHBondContact O-N 2.68Å; S45-C49 PolarHBondContact O-SG 3.38Å; A46-C49 CarbonylContact O-C 3.54Å; A46-C49 WeakPolarHBondContact O-CB 3.46Å; A46-C49 PolarHBondContact O-N 2.87Å; C49-H52 CarbonylContact O-C 3.51Å; C49-H52 PolarHBondContact O-N 3.31Å; C49-E53 WeakPolarHBondContact O-CB 3.3Å; C49-E53 PolarHBondContact O-N 3.47Å |
| 50 | H | 82.8 | Confident | 78.5 | Confident | 103 Ų | 103 | 109.1 Ų | 109.1 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.9 | -43.8 | 177.7 | -173.2 | 57.8 | 0 | 0 | 0 | 112.2 | A46 E47 L48 H52 E53 I54 | A46-H50 WeakPolarHBondContact O-CB 3.44Å; A46-H50 PolarHBondContact O-N 3.5Å; E47-H50 PolarHBondContact O-N 3.03Å; L48-H50 VanDerWaalsContact C-N 3.34Å; H50-H52 PolarHBondContact O-N 3.1Å; H50-E53 WeakPolarHBondContact O-CA 3.32Å; H50-E53 WeakPolarHBondContact O-CB 3.5Å; H50-E53 PolarHBondContact O-N 3.39Å; H50-I54 WeakPolarHBondContact O-CG1 3.4Å; H50-I54 PolarHBondContact O-N 2.93Å |
| 51 | R | 89.1 | Confident | 79.5 | Confident | 118 Ų | 118 | 106.3 Ų | 106.3 | 45% | 0.445 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 172.4 | -68.8 | -175.6 | -166.3 | -155.9 | 2.8 | 112.7 | L43 E47 E53 I54 H55 | L43-R51 VanDerWaalsContact CD2-CZ 3.48Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 3.36Å; E47-R51 IonicContact OE1-CZ 3.15Å; E47-R51 IonicContact OE1-NE 3.18Å; E47-R51 PolarHBondContact OE1-NE 3.26Å; E47-R51 IonicContact OE1-NH2 3.34Å; E47-R51 PolarHBondContact OE1-NH2 3.46Å; R51-E53 PolarHBondContact O-N 3.3Å; R51-I54 PolarHBondContact O-N 3.45Å; R51-H55 WeakPolarHBondContact O-CB 3.43Å; R51-H55 PolarHBondContact O-CD2 2.9Å; R51-H55 PolarHBondContact O-N 3.39Å |
| 52 | H | 84.9 | Confident | 80.5 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -31.7 | 170.8 | -72.2 | 119.6 | 0 | 0 | 0 | 111.9 | L48 C49 H50 H55 K56 | L48-H52 WeakPolarHBondContact O-CB 3.29Å; L48-H52 VanDerWaalsContact O-CG 3.29Å; L48-H52 PolarHBondContact O-N 2.93Å; L48-H52 PolarHBondContact O-ND1 3.44Å; C49-H52 CarbonylContact O-C 3.51Å; C49-H52 PolarHBondContact O-N 3.31Å; H50-H52 PolarHBondContact O-N 3.1Å; H52-H55 CarbonylContact O-C 3.59Å; H52-K56 VanDerWaalsContact O-CG 3.24Å; H52-K56 WeakPolarHBondContact O-CG 3.47Å; H52-K56 PolarHBondContact O-N 2.99Å |
| 53 | E | 84.2 | Confident | 80.9 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.9 | -52.1 | 174.7 | -162.8 | 106.2 | -106.9 | 0 | 0 | 111.5 | C49 H50 R51 H55 K56 | C49-E53 WeakPolarHBondContact O-CB 3.3Å; C49-E53 PolarHBondContact O-N 3.47Å; H50-E53 WeakPolarHBondContact O-CA 3.32Å; H50-E53 WeakPolarHBondContact O-CB 3.5Å; H50-E53 PolarHBondContact O-N 3.39Å; R51-E53 PolarHBondContact O-N 3.3Å; E53-H55 PolarHBondContact O-N 3.47Å; E53-K56 VanDerWaalsContact CD-NZ 3.33Å; E53-K56 WeakPolarHBondContact O-CB 3.5Å; E53-K56 PolarHBondContact O-N 3.11Å; E53-K56 IonicContact OE1-NZ 2.74Å; E53-K56 PolarHBondContact OE1-NZ 3.39Å; E53-K56 IonicContact OE2-NZ 2.72Å |
| 54 | I | 80.9 | Confident | 81.5 | Confident | 108 Ų | 108 | 99 Ų | 99 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.9 | -35.4 | 176.3 | -65.1 | 160.9 | 0 | 0 | 0 | 111.1 | H50 R51 | H50-I54 WeakPolarHBondContact O-CG1 3.4Å; H50-I54 PolarHBondContact O-N 2.93Å; R51-I54 PolarHBondContact O-N 3.45Å |
| 55 | H | 80.1 | Confident | 81.1 | Confident | 153 Ų | 153 | 102.3 Ų | 102.3 | 71% | 0.708 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 7.8 | 178.5 | -58.9 | -50 | 0 | 0 | 0 | 114.4 | R51 H52 E53 S57 | R51-H55 WeakPolarHBondContact O-CB 3.43Å; R51-H55 PolarHBondContact O-CD2 2.9Å; R51-H55 PolarHBondContact O-N 3.39Å; H52-H55 CarbonylContact O-C 3.59Å; E53-H55 PolarHBondContact O-N 3.47Å; H55-S57 PolarHBondContact O-N 2.84Å |
| 56 | K | 80.1 | Confident | 81.4 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -68.4 | 116 | 166.5 | -88.8 | 160.7 | -146.5 | 173.9 | 0 | 106.7 | H52 E53 H58 | H52-K56 VanDerWaalsContact O-CG 3.24Å; H52-K56 WeakPolarHBondContact O-CG 3.47Å; H52-K56 PolarHBondContact O-N 2.99Å; E53-K56 VanDerWaalsContact CD-NZ 3.33Å; E53-K56 WeakPolarHBondContact O-CB 3.5Å; E53-K56 PolarHBondContact O-N 3.11Å; E53-K56 IonicContact OE1-NZ 2.74Å; E53-K56 PolarHBondContact OE1-NZ 3.39Å; E53-K56 IonicContact OE2-NZ 2.72Å; K56-H58 PolarHBondContact O-N 3.08Å; K56-H58 VanDerWaalsContact O-N 3.15Å |
| 57 | S | 75.6 | Confident | 81.7 | Confident | 76 Ų | 76 | 105 Ų | 105 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | trans | -60.1 | 123.6 | 168.1 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | H55 N59 K60 | H55-S57 PolarHBondContact O-N 2.84Å; S57-N59 PolarHBondContact O-N 2.86Å; S57-N59 VanDerWaalsContact O-N 3.1Å; S57-K60 WeakPolarHBondContact O-CB 3.49Å; S57-K60 PolarHBondContact O-N 3.33Å | ||
| 58 | H | 67.9 | Low | 81.7 | Confident | 198 Ų | 198 | 107.9 Ų | 107.9 | 92% | 0.917 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.7 | 175.1 | -150.2 | 84.1 | 0 | 0 | 0 | 111.1 | K56 K60 | K56-H58 PolarHBondContact O-N 3.08Å; K56-H58 VanDerWaalsContact O-N 3.15Å; H58-K60 PolarHBondContact O-N 2.85Å; H58-K60 VanDerWaalsContact O-N 3.13Å |
| 59 | N | 79.3 | Confident | 81.7 | Confident | 95 Ų | 95 | 108.3 Ų | 108.3 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 11.2 | 170 | -160.2 | -7.9 | 0 | 0 | 0 | 114.3 | S57 A61 A62 A63 | S57-N59 PolarHBondContact O-N 2.86Å; S57-N59 VanDerWaalsContact O-N 3.1Å; N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 3.3Å; N59-A62 PolarHBondContact O-N 3.34Å; N59-A62 WeakPolarHBondContact OD1-CB 3.43Å; N59-A63 WeakPolarHBondContact O-CB 3.41Å; N59-A63 PolarHBondContact O-N 2.84Å; N59-A63 PolarHBondContact OD1-N 3.07Å |
| 60 | K | 81.8 | Confident | 81.9 | Confident | 150 Ų | 150 | 109.3 Ų | 109.3 | 65% | 0.652 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -40.4 | 179 | -177.9 | 177.3 | 178.4 | -176.4 | 0 | 112.7 | S57 H58 H64 | S57-K60 WeakPolarHBondContact O-CB 3.49Å; S57-K60 PolarHBondContact O-N 3.33Å; H58-K60 PolarHBondContact O-N 2.85Å; H58-K60 VanDerWaalsContact O-N 3.13Å; K60-H64 WeakPolarHBondContact O-CB 3.34Å; K60-H64 PolarHBondContact O-N 2.9Å |
| 61 | A | 77.8 | Confident | 81.9 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -49.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N59 H64 W65 | N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 3.3Å; A61-H64 WeakPolarHBondContact O-CB 3.19Å; A61-H64 PolarHBondContact O-N 3Å; A61-W65 PolarHBondContact O-N 3.29Å |
| 62 | A | 80.3 | Confident | 81.4 | Confident | 55 Ų | 55 | 106 Ų | 106 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N59 H64 W65 E66 | N59-A62 PolarHBondContact O-N 3.34Å; N59-A62 WeakPolarHBondContact OD1-CB 3.43Å; A62-H64 VanDerWaalsContact C-N 3.33Å; A62-H64 PolarHBondContact O-N 3.41Å; A62-W65 CarbonylContact O-C 3.53Å; A62-W65 WeakPolarHBondContact O-CB 3.37Å; A62-W65 PolarHBondContact O-N 3.45Å; A62-E66 WeakPolarHBondContact O-CB 3.43Å; A62-E66 PolarHBondContact O-N 3.42Å |
| 63 | A | 82.7 | Confident | 81.2 | Confident | 38 Ų | 38 | 104.6 Ų | 104.6 | 31% | 0.314 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N59 E66 L67 | N59-A63 WeakPolarHBondContact O-CB 3.41Å; N59-A63 PolarHBondContact O-N 2.84Å; N59-A63 PolarHBondContact OD1-N 3.07Å; A63-E66 PolarHBondContact O-N 3.09Å; A63-L67 WeakPolarHBondContact O-CB 3.48Å; A63-L67 PolarHBondContact O-N 3.5Å |
| 64 | H | 82.8 | Confident | 80.9 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 47% | 0.468 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 173.6 | -167.3 | -55.7 | 0 | 0 | 0 | 111.9 | K60 A61 A62 R68 | K60-H64 WeakPolarHBondContact O-CB 3.34Å; K60-H64 PolarHBondContact O-N 2.9Å; A61-H64 WeakPolarHBondContact O-CB 3.19Å; A61-H64 PolarHBondContact O-N 3Å; A62-H64 VanDerWaalsContact C-N 3.33Å; A62-H64 PolarHBondContact O-N 3.41Å; H64-R68 PolarHBondContact CE1-NE 3.35Å; H64-R68 VanDerWaalsContact CE1-NE 3.33Å; H64-R68 PolarHBondContact ND1-NE 2.91Å; H64-R68 WeakPolarHBondContact O-CG 3.44Å; H64-R68 PolarHBondContact O-N 3.14Å |
| 65 | W | 74.5 | Confident | 80.5 | Confident | 166 Ų | 166 | 110.5 Ų | 110.5 | 63% | 0.629 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.4 | -46.1 | 171.2 | -78.5 | 119.1 | 0 | 0 | 0 | 111.8 | A61 A62 L67 R68 E69 | A61-W65 PolarHBondContact O-N 3.29Å; A62-W65 CarbonylContact O-C 3.53Å; A62-W65 WeakPolarHBondContact O-CB 3.37Å; A62-W65 PolarHBondContact O-N 3.45Å; W65-L67 VanDerWaalsContact C-N 3.32Å; W65-L67 PolarHBondContact O-N 3.47Å; W65-R68 WeakPolarHBondContact O-CB 3.48Å; W65-R68 PolarHBondContact O-N 3.1Å; W65-E69 VanDerWaalsContact O-CB 3.31Å; W65-E69 WeakPolarHBondContact O-CB 3.49Å; W65-E69 PolarHBondContact O-N 3.08Å |
| 66 | E | 88.6 | Confident | 79.8 | Confident | 93 Ų | 93 | 109.2 Ų | 109.2 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 175.2 | -167.5 | -166.4 | -174.5 | 0 | 0 | 111.6 | A62 A63 E69 K70 | A62-E66 WeakPolarHBondContact O-CB 3.43Å; A62-E66 PolarHBondContact O-N 3.42Å; A63-E66 PolarHBondContact O-N 3.09Å; E66-E69 PolarHBondContact O-N 2.88Å; E66-K70 HydrophobicContact CG-CD 4.17Å; E66-K70 VanDerWaalsContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CB 3.32Å; E66-K70 VanDerWaalsContact O-CG 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 2.82Å; E66-K70 IonicContact OE1-NZ 3.5Å; E66-K70 PolarHBondContact OE1-NZ 2.91Å; E66-K70 IonicContact OE2-NZ 3.32Å |
| 67 | L | 88.9 | Confident | 79.3 | Confident | 122 Ų | 122 | 114.2 Ų | 114.2 | 64% | 0.639 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.7 | -38.3 | 176.4 | -148.6 | 79.2 | 0 | 0 | 0 | 112.1 | A63 W65 A71 | A63-L67 WeakPolarHBondContact O-CB 3.48Å; A63-L67 PolarHBondContact O-N 3.5Å; W65-L67 VanDerWaalsContact C-N 3.32Å; W65-L67 PolarHBondContact O-N 3.47Å; L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 2.87Å |
| 68 | R | 83.4 | Confident | 78.4 | Confident | 123 Ų | 123 | 118.1 Ų | 118.1 | 46% | 0.464 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -46.3 | 170.7 | -79.1 | 176.8 | 174.6 | 153.2 | 2.8 | 110.8 | H64 W65 A71 L72 | H64-R68 PolarHBondContact CE1-NE 3.35Å; H64-R68 VanDerWaalsContact CE1-NE 3.33Å; H64-R68 PolarHBondContact ND1-NE 2.91Å; H64-R68 WeakPolarHBondContact O-CG 3.44Å; H64-R68 PolarHBondContact O-N 3.14Å; W65-R68 WeakPolarHBondContact O-CB 3.48Å; W65-R68 PolarHBondContact O-N 3.1Å; R68-A71 CarbonylContact O-C 3.57Å; R68-A71 WeakPolarHBondContact O-CA 3.45Å; R68-A71 WeakPolarHBondContact O-CB 3.43Å; R68-A71 PolarHBondContact O-N 2.95Å; R68-A71 VanDerWaalsContact O-N 3.13Å; R68-L72 WeakPolarHBondContact O-CG 3.45Å; R68-L72 PolarHBondContact O-N 3.36Å |
| 69 | E | 86.6 | Confident | 77.6 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 41% | 0.411 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | -178.8 | -162.9 | -135.3 | -157.9 | 0 | 0 | 111.4 | W65 E66 A71 L72 K73 | W65-E69 VanDerWaalsContact O-CB 3.31Å; W65-E69 WeakPolarHBondContact O-CB 3.49Å; W65-E69 PolarHBondContact O-N 3.08Å; E66-E69 PolarHBondContact O-N 2.88Å; E69-A71 VanDerWaalsContact C-N 3.29Å; E69-A71 PolarHBondContact O-N 3.34Å; E69-L72 CarbonylContact O-C 3.58Å; E69-L72 PolarHBondContact O-N 3.44Å; E69-K73 HydrophobicContact CG-CD 4.39Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 2.89Å; E69-K73 WeakPolarHBondContact OE1-CE 3.48Å; E69-K73 IonicContact OE1-NZ 3.89Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å; E69-K73 VanDerWaalsContact OE2-CE 3.31Å; E69-K73 WeakPolarHBondContact OE2-CE 3.35Å; E69-K73 IonicContact OE2-NZ 2.76Å; E69-K73 PolarHBondContact OE2-NZ 3.44Å |
| 70 | K | 87.6 | Confident | 76.5 | Confident | 100 Ų | 100 | 110.4 Ų | 110.4 | 44% | 0.435 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -31.2 | 170.3 | -73.7 | 174.8 | -178.6 | 170.7 | 0 | 112.6 | E66 R74 | E66-K70 HydrophobicContact CG-CD 4.17Å; E66-K70 VanDerWaalsContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CB 3.32Å; E66-K70 VanDerWaalsContact O-CG 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 2.82Å; E66-K70 IonicContact OE1-NZ 3.5Å; E66-K70 PolarHBondContact OE1-NZ 2.91Å; E66-K70 IonicContact OE2-NZ 3.32Å; K70-R74 WeakPolarHBondContact O-CB 3.46Å; K70-R74 VanDerWaalsContact O-CG 3.31Å; K70-R74 WeakPolarHBondContact O-CG 3.19Å; K70-R74 PolarHBondContact O-N 3.44Å; K70-R74 PolarHBondContact O-NE 3.15Å |
| 71 | A | 83.7 | Confident | 75.2 | Confident | 35 Ų | 35 | 106.7 Ų | 106.7 | 29% | 0.289 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.9 | -39 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L67 R68 E69 R74 R75 | L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 2.87Å; R68-A71 CarbonylContact O-C 3.57Å; R68-A71 WeakPolarHBondContact O-CA 3.45Å; R68-A71 WeakPolarHBondContact O-CB 3.43Å; R68-A71 PolarHBondContact O-N 2.95Å; R68-A71 VanDerWaalsContact O-N 3.13Å; E69-A71 VanDerWaalsContact C-N 3.29Å; E69-A71 PolarHBondContact O-N 3.34Å; A71-R74 PolarHBondContact O-N 3.35Å; A71-R75 PolarHBondContact O-N 2.9Å |
| 72 | L | 78.3 | Confident | 73.6 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 60% | 0.602 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.1 | -45.5 | 173.1 | -71.1 | 171.1 | 0 | 0 | 0 | 111.7 | R68 E69 R74 R75 L76 | R68-L72 WeakPolarHBondContact O-CG 3.45Å; R68-L72 PolarHBondContact O-N 3.36Å; E69-L72 CarbonylContact O-C 3.58Å; E69-L72 PolarHBondContact O-N 3.44Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.42Å; L72-R75 CarbonylContact O-C 3.46Å; L72-R75 WeakPolarHBondContact O-CA 3.35Å; L72-R75 WeakPolarHBondContact O-CB 3.46Å; L72-R75 PolarHBondContact O-N 2.88Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.47Å |
| 73 | K | 79.3 | Confident | 72.3 | Confident | 97 Ų | 97 | 112 Ų | 112 | 42% | 0.422 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.2 | -38.4 | 173.9 | -74.7 | 172.7 | 175.3 | 169.5 | 0 | 111.9 | E69 R77 | E69-K73 HydrophobicContact CG-CD 4.39Å; E69-K73 WeakPolarHBondContact O-CB 3.35Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 2.89Å; E69-K73 WeakPolarHBondContact OE1-CE 3.48Å; E69-K73 IonicContact OE1-NZ 3.89Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å; E69-K73 VanDerWaalsContact OE2-CE 3.31Å; E69-K73 WeakPolarHBondContact OE2-CE 3.35Å; E69-K73 IonicContact OE2-NZ 2.76Å; E69-K73 PolarHBondContact OE2-NZ 3.44Å; K73-R77 WeakPolarHBondContact O-CB 3.37Å; K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.45Å; K73-R77 PolarHBondContact O-N 3Å |
| 74 | R | 78.4 | Confident | 71 | Confident | 147 Ų | 147 | 113.8 Ų | 113.8 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.7 | -43.2 | 170.6 | -77.1 | -177.8 | -62.2 | 136.7 | -3.3 | 112.3 | K70 A71 L72 L76 R77 H78 | K70-R74 WeakPolarHBondContact O-CB 3.46Å; K70-R74 VanDerWaalsContact O-CG 3.31Å; K70-R74 WeakPolarHBondContact O-CG 3.19Å; K70-R74 PolarHBondContact O-N 3.44Å; K70-R74 PolarHBondContact O-NE 3.15Å; A71-R74 PolarHBondContact O-N 3.35Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 3.42Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 3.43Å; R74-R77 PolarHBondContact O-N 3.18Å; R74-H78 WeakPolarHBondContact O-CB 3.39Å; R74-H78 PolarHBondContact O-CD2 3.37Å; R74-H78 PolarHBondContact O-N 3.22Å |
| 75 | R | 71.9 | Confident | 70 | Confident | 198 Ų | 198 | 114.1 Ų | 114.1 | 75% | 0.747 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -58.8 | -41.3 | 173.6 | -83 | -178.4 | 162.1 | -122.4 | -2.9 | 112 | A71 L72 H78 A79 | A71-R75 PolarHBondContact O-N 2.9Å; L72-R75 CarbonylContact O-C 3.46Å; L72-R75 WeakPolarHBondContact O-CA 3.35Å; L72-R75 WeakPolarHBondContact O-CB 3.46Å; L72-R75 PolarHBondContact O-N 2.88Å; R75-H78 CarbonylContact O-C 3.53Å; R75-H78 PolarHBondContact O-N 3.24Å; R75-A79 WeakPolarHBondContact O-CB 3.15Å; R75-A79 PolarHBondContact O-N 2.69Å |
| 76 | L | 65.5 | Low | 70.1 | Confident | 125 Ų | 125 | 111.8 Ų | 111.8 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 177.5 | -173.7 | 63.1 | 0 | 0 | 0 | 112 | L72 R74 H78 A79 | L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.47Å; R74-L76 VanDerWaalsContact C-N 3.31Å; R74-L76 PolarHBondContact O-N 3.43Å; L76-H78 VanDerWaalsContact C-N 3.32Å; L76-H78 PolarHBondContact O-N 3.45Å; L76-A79 PolarHBondContact O-N 2.75Å |
| 77 | R | 70.3 | Confident | 69.4 | Low | 211 Ų | 211 | 115.1 Ų | 115.1 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.6 | -25.4 | 175.3 | -70.2 | 174.4 | -170.5 | -89.6 | 3.7 | 113.8 | K73 R74 | K73-R77 WeakPolarHBondContact O-CB 3.37Å; K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.45Å; K73-R77 PolarHBondContact O-N 3Å; R74-R77 PolarHBondContact O-N 3.18Å |
| 78 | H | 56.9 | Low | 68.7 | Low | 159 Ų | 159 | 113.8 Ų | 113.8 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -95.4 | -10.6 | 174.3 | -64.4 | -51.9 | 0 | 0 | 0 | 113.6 | R74 R75 L76 G80 | R74-H78 WeakPolarHBondContact O-CB 3.39Å; R74-H78 PolarHBondContact O-CD2 3.37Å; R74-H78 PolarHBondContact O-N 3.22Å; R75-H78 CarbonylContact O-C 3.53Å; R75-H78 PolarHBondContact O-N 3.24Å; L76-H78 VanDerWaalsContact C-N 3.32Å; L76-H78 PolarHBondContact O-N 3.45Å; H78-G80 PolarHBondContact O-N 3.34Å |
| 79 | A | 50.2 | Low | 68.2 | Low | 53 Ų | 53 | 109.8 Ų | 109.8 | 44% | 0.438 | 61% | 0.608 | S | S | . | * | trans | -82.5 | 53.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R75 L76 G81 | R75-A79 WeakPolarHBondContact O-CB 3.15Å; R75-A79 PolarHBondContact O-N 2.69Å; L76-A79 PolarHBondContact O-N 2.75Å; A79-G81 VanDerWaalsContact C-N 3.33Å; A79-G81 PolarHBondContact O-N 2.61Å | ||
| 80 | G | 56.2 | Low | 67.9 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 79% | 0.794 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -65.8 | 96.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | H78 | H78-G80 PolarHBondContact O-N 3.34Š|
| 81 | G | 54.8 | Low | 67.4 | Low | 73 Ų | 73 | 106.7 Ų | 106.7 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | trans | 85.1 | 79.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A79 | A79-G81 VanDerWaalsContact C-N 3.33Å; A79-G81 PolarHBondContact O-N 2.61Å | ||
| 82 | S | 44.9 | Very low | 67.2 | Low | 102 Ų | 102 | 110 Ų | 110 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | trans | -117.6 | 106.8 | 152.1 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 83 | P | 53.4 | Low | 67.3 | Low | 128 Ų | 128 | 108.1 Ų | 108.1 | 83% | 0.831 | 60% | 0.604 | S | S | * | * | trans | -75.2 | 131 | 178.8 | 30.9 | -32.5 | 0 | 0 | 0 | 109.7 | ||||
| 84 | G | 55.3 | Low | 67.2 | Low | 77 Ų | 77 | 112.1 Ų | 112.1 | 79% | 0.794 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 141.8 | -0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 85 | L | 61.1 | Low | 67.2 | Low | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -122 | 115.6 | 163.2 | -94.8 | 161.9 | 0 | 0 | 0 | 107.9 | L90 | L85-L90 HydrophobicContact CB-CD1 4.26Å; L85-L90 HydrophobicContact CB-CD2 4.25Å; L85-L90 HydrophobicContact CB-CG 4.13Å; L85-L90 HydrophobicContact CD1-CD2 4.29Å |
| 86 | D | 77.1 | Confident | 67.5 | Low | 118 Ų | 118 | 103.6 Ų | 103.6 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | trans | -58 | 139.9 | -178.1 | -61.7 | -43.4 | 0 | 0 | 0 | 110.3 | T88 S89 L90 | D86-T88 WeakPolarHBondContact CB-OG1 3.19Å; D86-T88 PolarHBondContact O-N 3.46Å; D86-T88 VanDerWaalsContact O-N 3.1Å; D86-S89 WeakPolarHBondContact O-CA 3.28Å; D86-S89 WeakPolarHBondContact O-CB 3.39Å; D86-S89 PolarHBondContact O-N 3.44Å; D86-L90 PolarHBondContact O-N 2.85Å | ||
| 87 | H | 74 | Confident | 67.5 | Low | 163 Ų | 163 | 104.1 Ų | 104.1 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -56.2 | -30.5 | 179 | -174.7 | -75.6 | 0 | 0 | 0 | 111.6 | S91 | H87-S91 WeakPolarHBondContact O-CB 3.32Å; H87-S91 PolarHBondContact O-N 2.88Å |
| 88 | T | 73.4 | Confident | 67.4 | Low | 93 Ų | 93 | 97.8 Ų | 97.8 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.2 | -47.9 | 171.5 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | D86 L90 S91 I92 | D86-T88 WeakPolarHBondContact CB-OG1 3.19Å; D86-T88 PolarHBondContact O-N 3.46Å; D86-T88 VanDerWaalsContact O-N 3.1Å; T88-L90 VanDerWaalsContact C-N 3.34Å; T88-L90 PolarHBondContact O-N 3.32Å; T88-S91 PolarHBondContact O-N 3.2Å; T88-I92 VanDerWaalsContact O-CG1 3.28Å; T88-I92 WeakPolarHBondContact O-CG1 3.32Å; T88-I92 PolarHBondContact O-N 3Å |
| 89 | S | 74.1 | Confident | 67.9 | Low | 40 Ų | 40 | 96.1 Ų | 96.1 | 28% | 0.28 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.4 | -43.2 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | D86 S91 I92 I93 | D86-S89 WeakPolarHBondContact O-CA 3.28Å; D86-S89 WeakPolarHBondContact O-CB 3.39Å; D86-S89 PolarHBondContact O-N 3.44Å; S89-S91 VanDerWaalsContact C-N 3.33Å; S89-S91 PolarHBondContact O-N 3Å; S89-I92 PolarHBondContact O-N 3.36Å; S89-I93 VanDerWaalsContact O-CB 3.31Å; S89-I93 WeakPolarHBondContact O-CB 3.45Å; S89-I93 WeakPolarHBondContact O-CD1 3.34Å; S89-I93 WeakPolarHBondContact O-CG1 3.41Å; S89-I93 PolarHBondContact O-N 3.46Å |
| 90 | L | 79.6 | Confident | 68.7 | Low | 77 Ų | 77 | 98 Ų | 98 | 40% | 0.403 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.4 | -29.2 | 176.2 | -67.2 | 175.5 | 0 | 0 | 0 | 113.4 | L85 D86 T88 R94 | L85-L90 HydrophobicContact CB-CD1 4.26Å; L85-L90 HydrophobicContact CB-CD2 4.25Å; L85-L90 HydrophobicContact CB-CG 4.13Å; L85-L90 HydrophobicContact CD1-CD2 4.29Å; D86-L90 PolarHBondContact O-N 2.85Å; T88-L90 VanDerWaalsContact C-N 3.34Å; T88-L90 PolarHBondContact O-N 3.32Å; L90-R94 WeakPolarHBondContact O-CB 3.48Å; L90-R94 PolarHBondContact O-N 3.4Å |
| 91 | S | 76.8 | Confident | 69.3 | Low | 46 Ų | 46 | 97.8 Ų | 97.8 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.8 | -50.4 | 171.9 | -156.6 | 0 | 0 | 0 | 0 | 111 | H87 T88 S89 I93 R94 D95 | H87-S91 WeakPolarHBondContact O-CB 3.32Å; H87-S91 PolarHBondContact O-N 2.88Å; T88-S91 PolarHBondContact O-N 3.2Å; S89-S91 VanDerWaalsContact C-N 3.33Å; S89-S91 PolarHBondContact O-N 3Å; S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 2.95Å; S91-R94 CarbonylContact O-C 3.58Å; S91-R94 WeakPolarHBondContact O-CA 3.38Å; S91-R94 VanDerWaalsContact O-CB 3.3Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 3.49Å; S91-D95 PolarHBondContact O-N 2.85Å; S91-D95 VanDerWaalsContact O-OD2 3.1Å; S91-D95 PolarHBondContact OG-OD2 3Å |
| 92 | I | 80.3 | Confident | 70.5 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.8 | -43.6 | 176.8 | -66.5 | 161.4 | 0 | 0 | 0 | 110.7 | T88 S89 R94 D95 V96 | T88-I92 VanDerWaalsContact O-CG1 3.28Å; T88-I92 WeakPolarHBondContact O-CG1 3.32Å; T88-I92 PolarHBondContact O-N 3Å; S89-I92 PolarHBondContact O-N 3.36Å; I92-R94 PolarHBondContact O-N 3.24Å; I92-D95 PolarHBondContact O-N 3.45Å; I92-V96 HydrophobicContact CG2-CG2 4.25Å; I92-V96 WeakPolarHBondContact O-CB 3.26Å; I92-V96 VanDerWaalsContact O-CG2 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.83Å |
| 93 | I | 80.1 | Confident | 72.4 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 39% | 0.385 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 173.5 | -72.4 | 166.6 | 0 | 0 | 0 | 110.4 | S89 S91 F97 | S89-I93 VanDerWaalsContact O-CB 3.31Å; S89-I93 WeakPolarHBondContact O-CB 3.45Å; S89-I93 WeakPolarHBondContact O-CD1 3.34Å; S89-I93 WeakPolarHBondContact O-CG1 3.41Å; S89-I93 PolarHBondContact O-N 3.46Å; S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 2.95Å; I93-F97 HydrophobicContact CG2-CD2 3.77Å; I93-F97 HydrophobicContact CG2-CE2 4.04Å; I93-F97 WeakPolarHBondContact O-CB 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.33Å; I93-F97 PolarHBondContact O-N 3.22Å |
| 94 | R | 77.9 | Confident | 73.9 | Confident | 181 Ų | 181 | 99.6 Ų | 99.6 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 175.8 | -92.5 | -178.2 | 165.3 | -174.3 | -3.7 | 112.6 | L90 S91 I92 S98 | L90-R94 WeakPolarHBondContact O-CB 3.48Å; L90-R94 PolarHBondContact O-N 3.4Å; S91-R94 CarbonylContact O-C 3.58Å; S91-R94 WeakPolarHBondContact O-CA 3.38Å; S91-R94 VanDerWaalsContact O-CB 3.3Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 3.49Å; I92-R94 PolarHBondContact O-N 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.41Å; R94-S98 PolarHBondContact O-N 3.43Å; R94-S98 PolarHBondContact O-OG 3.19Å |
| 95 | D | 77.3 | Confident | 75.5 | Confident | 82 Ų | 82 | 101 Ų | 101 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.1 | -50.8 | -175.1 | -59.1 | -29.9 | 0 | 0 | 0 | 109.4 | S91 I92 F97 S98 E99 | S91-D95 PolarHBondContact O-N 2.85Å; S91-D95 VanDerWaalsContact O-OD2 3.1Å; S91-D95 PolarHBondContact OG-OD2 3Å; I92-D95 PolarHBondContact O-N 3.45Å; D95-F97 PolarHBondContact O-N 3.36Å; D95-S98 CarbonylContact O-C 3.59Å; D95-S98 WeakPolarHBondContact O-CA 3.25Å; D95-S98 PolarHBondContact O-N 2.81Å; D95-E99 WeakPolarHBondContact O-CG 3.36Å; D95-E99 PolarHBondContact O-N 2.81Å |
| 96 | V | 77.9 | Confident | 76.8 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | I92 Q100 | I92-V96 HydrophobicContact CG2-CG2 4.25Å; I92-V96 WeakPolarHBondContact O-CB 3.26Å; I92-V96 VanDerWaalsContact O-CG2 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.83Å; V96-Q100 PolarHBondContact O-N 2.84Å |
| 97 | F | 66.1 | Low | 77.5 | Confident | 135 Ų | 135 | 96.4 Ų | 96.4 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -79 | -15.1 | 175.9 | -76.5 | -67.7 | 0 | 0 | 0 | 113.9 | I93 D95 P101 | I93-F97 HydrophobicContact CG2-CD2 3.77Å; I93-F97 HydrophobicContact CG2-CE2 4.04Å; I93-F97 WeakPolarHBondContact O-CB 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.33Å; I93-F97 PolarHBondContact O-N 3.22Å; D95-F97 PolarHBondContact O-N 3.36Å; F97-P101 WeakPolarHBondContact O-CD 3.27Å |
| 98 | S | 68.7 | Low | 78.2 | Confident | 78 Ų | 78 | 90 Ų | 90 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -88 | -23.1 | 172.5 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | R94 D95 P101 | R94-S98 WeakPolarHBondContact O-CB 3.41Å; R94-S98 PolarHBondContact O-N 3.43Å; R94-S98 PolarHBondContact O-OG 3.19Å; D95-S98 CarbonylContact O-C 3.59Å; D95-S98 WeakPolarHBondContact O-CA 3.25Å; D95-S98 PolarHBondContact O-N 2.81Å; S98-P101 VanDerWaalsContact O-CD 3.3Å; S98-P101 WeakPolarHBondContact O-CD 3.33Å; S98-P101 VanDerWaalsContact O-CG 3.28Å; S98-P101 WeakPolarHBondContact O-CG 3.46Å |
| 99 | E | 66.6 | Low | 79 | Confident | 125 Ų | 125 | 91.8 Ų | 91.8 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.8 | -27.1 | 168.8 | -73.8 | 176.7 | -173.1 | 0 | 0 | 112.3 | D95 L102 L103 | D95-E99 WeakPolarHBondContact O-CG 3.36Å; D95-E99 PolarHBondContact O-N 2.81Å; E99-L102 CarbonylContact O-C 3.57Å; E99-L102 WeakPolarHBondContact O-CA 3.49Å; E99-L102 WeakPolarHBondContact O-CB 3.43Å; E99-L102 PolarHBondContact O-N 3.42Å; E99-L102 VanDerWaalsContact O-N 3.07Å; E99-L103 WeakPolarHBondContact O-CB 3.33Å; E99-L103 PolarHBondContact O-N 3.15Å |
| 100 | Q | 68.1 | Low | 79.9 | Confident | 92 Ų | 92 | 92 Ų | 92 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 178.9 | -167.3 | 170.7 | 16.5 | 0 | 0 | 114.9 | V96 L102 L103 H104 | V96-Q100 PolarHBondContact O-N 2.84Å; Q100-L102 VanDerWaalsContact C-N 3.34Å; Q100-L103 PolarHBondContact O-N 3.03Å; Q100-H104 PolarHBondContact O-CD2 3.42Å; Q100-H104 PolarHBondContact O-N 2.81Å |
| 101 | P | 68.4 | Low | 80.4 | Confident | 73 Ų | 73 | 93.3 Ų | 93.3 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 172.1 | 25.8 | -35 | 0 | 0 | 0 | 112.6 | F97 S98 L103 H104 D105 | F97-P101 WeakPolarHBondContact O-CD 3.27Å; S98-P101 VanDerWaalsContact O-CD 3.3Å; S98-P101 WeakPolarHBondContact O-CD 3.33Å; S98-P101 VanDerWaalsContact O-CG 3.28Å; S98-P101 WeakPolarHBondContact O-CG 3.46Å; P101-L103 VanDerWaalsContact C-N 3.33Å; P101-L103 PolarHBondContact O-N 2.98Å; P101-H104 PolarHBondContact O-N 3.46Å; P101-D105 PolarHBondContact O-N 2.81Å |
| 102 | L | 80.1 | Confident | 81 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -38.9 | 177 | -154.8 | 97.9 | 0 | 0 | 0 | 111.5 | E99 Q100 D105 A106 | E99-L102 CarbonylContact O-C 3.57Å; E99-L102 WeakPolarHBondContact O-CA 3.49Å; E99-L102 WeakPolarHBondContact O-CB 3.43Å; E99-L102 PolarHBondContact O-N 3.42Å; E99-L102 VanDerWaalsContact O-N 3.07Å; Q100-L102 VanDerWaalsContact C-N 3.34Å; L102-D105 PolarHBondContact O-N 2.78Å; L102-A106 VanDerWaalsContact O-CB 3.32Å; L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 3.04Å |
| 103 | L | 83.9 | Confident | 81.3 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 55% | 0.55 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 172.7 | 177.8 | 63 | 0 | 0 | 0 | 111.5 | E99 Q100 P101 A106 L107 | E99-L103 WeakPolarHBondContact O-CB 3.33Å; E99-L103 PolarHBondContact O-N 3.15Å; Q100-L103 PolarHBondContact O-N 3.03Å; P101-L103 VanDerWaalsContact C-N 3.33Å; P101-L103 PolarHBondContact O-N 2.98Å; L103-A106 PolarHBondContact O-N 3.22Å; L103-L107 HydrophobicContact CD1-CD1 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.22Å; L103-L107 PolarHBondContact O-N 3.31Å |
| 104 | H | 85.6 | Confident | 81.4 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 174.6 | -78.5 | -60.2 | 0 | 0 | 0 | 112.7 | Q100 P101 A108 | Q100-H104 PolarHBondContact O-CD2 3.42Å; Q100-H104 PolarHBondContact O-N 2.81Å; P101-H104 PolarHBondContact O-N 3.46Å; H104-A108 VanDerWaalsContact O-CB 3.27Å; H104-A108 WeakPolarHBondContact O-CB 3.4Å; H104-A108 PolarHBondContact O-N 2.75Å |
| 105 | D | 89.1 | Confident | 81.6 | Confident | 106 Ų | 106 | 91 Ų | 91 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.8 | -38.3 | 174.1 | -78.8 | -25 | 0 | 0 | 0 | 112 | P101 L102 A108 Q109 | P101-D105 PolarHBondContact O-N 2.81Å; L102-D105 PolarHBondContact O-N 2.78Å; D105-A108 PolarHBondContact O-N 3.09Å; D105-Q109 VanDerWaalsContact O-CB 3.32Å; D105-Q109 WeakPolarHBondContact O-CB 3.45Å; D105-Q109 PolarHBondContact O-N 3.05Å |
| 106 | A | 88.3 | Confident | 81.7 | Confident | 50 Ų | 50 | 91.5 Ų | 91.5 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L102 L103 Q109 S110 | L102-A106 VanDerWaalsContact O-CB 3.32Å; L102-A106 WeakPolarHBondContact O-CB 3.41Å; L102-A106 PolarHBondContact O-N 3.04Å; L103-A106 PolarHBondContact O-N 3.22Å; A106-Q109 CarbonylContact O-C 3.58Å; A106-Q109 WeakPolarHBondContact O-CB 3.19Å; A106-Q109 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-N 2.98Å; A106-S110 PolarHBondContact O-OG 3.37Å |
| 107 | L | 91.1 | Very high | 81.7 | Confident | 79 Ų | 79 | 90.3 Ų | 90.3 | 41% | 0.414 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 172.9 | -74.8 | 168.7 | 0 | 0 | 0 | 111.4 | L103 Q109 S110 D111 | L103-L107 HydrophobicContact CD1-CD1 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.35Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.22Å; L103-L107 PolarHBondContact O-N 3.31Å; L107-Q109 PolarHBondContact O-N 3.45Å; L107-S110 WeakPolarHBondContact CA-OG 3.24Å; L107-S110 PolarHBondContact O-N 3.48Å; L107-S110 PolarHBondContact O-OG 3.17Å; L107-D111 WeakPolarHBondContact O-CB 3.33Å; L107-D111 VanDerWaalsContact O-CG 3.25Å; L107-D111 PolarHBondContact O-N 2.92Å |
| 108 | A | 89.5 | Confident | 81.8 | Confident | 29 Ų | 29 | 90.4 Ų | 90.4 | 24% | 0.24 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.7 | -29.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | H104 D105 R112 | H104-A108 VanDerWaalsContact O-CB 3.27Å; H104-A108 WeakPolarHBondContact O-CB 3.4Å; H104-A108 PolarHBondContact O-N 2.75Å; D105-A108 PolarHBondContact O-N 3.09Å; A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 VanDerWaalsContact O-CG 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.48Å; A108-R112 PolarHBondContact O-N 3.49Å; A108-R112 PolarHBondContact O-NE 3.33Å |
| 109 | Q | 90.3 | Very high | 81.8 | Confident | 130 Ų | 130 | 90.4 Ų | 90.4 | 61% | 0.607 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -73.1 | -40.2 | 172.3 | -175 | 173.7 | -5.9 | 0 | 0 | 111.8 | D105 A106 L107 R112 A113 | D105-Q109 VanDerWaalsContact O-CB 3.32Å; D105-Q109 WeakPolarHBondContact O-CB 3.45Å; D105-Q109 PolarHBondContact O-N 3.05Å; A106-Q109 CarbonylContact O-C 3.58Å; A106-Q109 WeakPolarHBondContact O-CB 3.19Å; A106-Q109 PolarHBondContact O-N 3.4Å; L107-Q109 PolarHBondContact O-N 3.45Å; Q109-R112 PolarHBondContact O-N 3.43Å; Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.5Å |
| 110 | S | 91.8 | Very high | 82 | Confident | 45 Ų | 45 | 90.9 Ų | 90.9 | 32% | 0.315 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 172.2 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | A106 L107 A113 L114 | A106-S110 PolarHBondContact O-N 2.98Å; A106-S110 PolarHBondContact O-OG 3.37Å; L107-S110 WeakPolarHBondContact CA-OG 3.24Å; L107-S110 PolarHBondContact O-N 3.48Å; L107-S110 PolarHBondContact O-OG 3.17Å; S110-A113 PolarHBondContact O-N 3.33Å; S110-L114 VanDerWaalsContact O-CB 3.24Å; S110-L114 WeakPolarHBondContact O-CB 3.38Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.35Å |
| 111 | D | 90.6 | Very high | 81.6 | Confident | 104 Ų | 104 | 94.8 Ų | 94.8 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 176.8 | -70.9 | -13.3 | 0 | 0 | 0 | 111.5 | L107 L114 A115 | L107-D111 WeakPolarHBondContact O-CB 3.33Å; L107-D111 VanDerWaalsContact O-CG 3.25Å; L107-D111 PolarHBondContact O-N 2.92Å; D111-L114 PolarHBondContact O-N 2.89Å; D111-A115 VanDerWaalsContact O-CB 3.26Å; D111-A115 WeakPolarHBondContact O-CB 3.41Å; D111-A115 PolarHBondContact O-N 2.97Å |
| 112 | R | 89.4 | Confident | 81.3 | Confident | 146 Ų | 146 | 94 Ų | 94 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 171.8 | -75.2 | -179.2 | -62.4 | -101.8 | 2.4 | 111.7 | A108 Q109 A115 V116 | A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 VanDerWaalsContact O-CG 3.22Å; A108-R112 WeakPolarHBondContact O-CG 3.48Å; A108-R112 PolarHBondContact O-N 3.49Å; A108-R112 PolarHBondContact O-NE 3.33Å; Q109-R112 PolarHBondContact O-N 3.43Å; R112-A115 PolarHBondContact O-N 3.15Å; R112-V116 WeakPolarHBondContact O-CG2 3.46Å; R112-V116 PolarHBondContact O-N 2.85Å; R112-V116 VanDerWaalsContact O-N 3.12Å |
| 113 | A | 86.7 | Confident | 80.7 | Confident | 52 Ų | 52 | 94.6 Ų | 94.6 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q109 S110 A115 V116 V117 | Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.5Å; S110-A113 PolarHBondContact O-N 3.33Å; A113-A115 VanDerWaalsContact C-N 3.31Å; A113-A115 PolarHBondContact O-N 3.46Å; A113-V116 PolarHBondContact O-N 2.82Å; A113-V117 WeakPolarHBondContact O-CB 3.25Å; A113-V117 VanDerWaalsContact O-CG2 3.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 3.44Å |
| 114 | L | 82.4 | Confident | 78.9 | Confident | 100 Ų | 100 | 92 Ų | 92 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 176.7 | -71.9 | 171.5 | 0 | 0 | 0 | 112 | S110 D111 V117 K118 | S110-L114 VanDerWaalsContact O-CB 3.24Å; S110-L114 WeakPolarHBondContact O-CB 3.38Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.35Å; D111-L114 PolarHBondContact O-N 2.89Å; L114-V117 PolarHBondContact O-N 3Å; L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 VanDerWaalsContact O-CG 3.29Å; L114-K118 WeakPolarHBondContact O-CG 3.27Å; L114-K118 PolarHBondContact O-N 2.89Å |
| 115 | A | 81.1 | Confident | 77.2 | Confident | 59 Ų | 59 | 93 Ų | 93 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D111 R112 A113 V117 K118 D119 | D111-A115 VanDerWaalsContact O-CB 3.26Å; D111-A115 WeakPolarHBondContact O-CB 3.41Å; D111-A115 PolarHBondContact O-N 2.97Å; R112-A115 PolarHBondContact O-N 3.15Å; A113-A115 VanDerWaalsContact C-N 3.31Å; A113-A115 PolarHBondContact O-N 3.46Å; A115-V117 VanDerWaalsContact C-N 3.34Å; A115-K118 PolarHBondContact O-N 2.85Å; A115-D119 PolarHBondContact O-N 3.32Å |
| 116 | V | 79.4 | Confident | 75.6 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 173.3 | 172 | 0 | 0 | 0 | 0 | 111 | R112 A113 D119 L120 | R112-V116 WeakPolarHBondContact O-CG2 3.46Å; R112-V116 PolarHBondContact O-N 2.85Å; R112-V116 VanDerWaalsContact O-N 3.12Å; A113-V116 PolarHBondContact O-N 2.82Å; V116-D119 PolarHBondContact O-N 3.38Å; V116-L120 HydrophobicContact CG1-CD1 4.24Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.43Å |
| 117 | V | 79.1 | Confident | 74.1 | Confident | 59 Ų | 59 | 104.1 Ų | 104.1 | 36% | 0.358 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.3 | -36.9 | 176.4 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | A113 L114 A115 L120 F121 | A113-V117 WeakPolarHBondContact O-CB 3.25Å; A113-V117 VanDerWaalsContact O-CG2 3.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 3.44Å; L114-V117 PolarHBondContact O-N 3Å; A115-V117 VanDerWaalsContact C-N 3.34Å; V117-L120 WeakPolarHBondContact O-CB 3.32Å; V117-L120 PolarHBondContact O-N 2.91Å; V117-F121 HydrophobicContact CG1-CD2 3.6Å; V117-F121 HydrophobicContact CG1-CE2 3.68Å; V117-F121 VanDerWaalsContact O-CD2 3.28Å; V117-F121 WeakPolarHBondContact O-CD2 3.41Å; V117-F121 PolarHBondContact O-N 2.7Å |
| 118 | K | 67.8 | Low | 72.1 | Confident | 136 Ų | 136 | 108.4 Ų | 108.4 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66 | -36.5 | 172.8 | -81.2 | -176.4 | 172.1 | -164.5 | 0 | 113.2 | L114 A115 L120 F121 G122 | L114-K118 WeakPolarHBondContact O-CB 3.44Å; L114-K118 VanDerWaalsContact O-CG 3.29Å; L114-K118 WeakPolarHBondContact O-CG 3.27Å; L114-K118 PolarHBondContact O-N 2.89Å; A115-K118 PolarHBondContact O-N 2.85Å; K118-L120 VanDerWaalsContact C-N 3.3Å; K118-F121 PolarHBondContact O-N 3.45Å; K118-G122 PolarHBondContact O-N 3.02Å |
| 119 | D | 68.8 | Low | 70.4 | Confident | 78 Ų | 78 | 111.7 Ų | 111.7 | 42% | 0.417 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.3 | -29 | 173.3 | -155.5 | 44.9 | 0 | 0 | 0 | 111.5 | A115 V116 R126 | A115-D119 PolarHBondContact O-N 3.32Å; V116-D119 PolarHBondContact O-N 3.38Å; D119-R126 WeakPolarHBondContact OD1-CD 3.36Å |
| 120 | L | 70.6 | Confident | 68.3 | Low | 135 Ų | 135 | 108.4 Ų | 108.4 | 71% | 0.707 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.5 | -33.6 | 173.4 | -72.9 | 166.7 | 0 | 0 | 0 | 113.9 | V116 V117 K118 | V116-L120 HydrophobicContact CG1-CD1 4.24Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.43Å; V117-L120 WeakPolarHBondContact O-CB 3.32Å; V117-L120 PolarHBondContact O-N 2.91Å; K118-L120 VanDerWaalsContact C-N 3.3Å |
| 121 | F | 60.1 | Low | 66.3 | Low | 175 Ų | 175 | 114.1 Ų | 114.1 | 77% | 0.768 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 6.5 | -179.7 | -77.3 | -67.1 | 0 | 0 | 0 | 114.9 | V117 K118 | V117-F121 HydrophobicContact CG1-CD2 3.6Å; V117-F121 HydrophobicContact CG1-CE2 3.68Å; V117-F121 VanDerWaalsContact O-CD2 3.28Å; V117-F121 WeakPolarHBondContact O-CD2 3.41Å; V117-F121 PolarHBondContact O-N 2.7Å; K118-F121 PolarHBondContact O-N 3.45Å |
| 122 | G | 62.3 | Low | 64.4 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 23 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K118 A124 | K118-G122 PolarHBondContact O-N 3.02Å; G122-A124 PolarHBondContact O-N 3.33Å; G122-A124 VanDerWaalsContact O-N 3.09Å |
| 123 | D | 66.1 | Low | 62.5 | Low | 141 Ų | 141 | 113 Ų | 113 | 75% | 0.754 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -74.9 | 5.7 | -178.3 | -130 | 11 | 0 | 0 | 0 | 113.9 | ||
| 124 | A | 46.4 | Very low | 60.9 | Low | 50 Ų | 50 | 116.2 Ų | 116.2 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -143 | 141.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | G122 R126 | G122-A124 PolarHBondContact O-N 3.33Å; G122-A124 VanDerWaalsContact O-N 3.09Å; A124-R126 HydrophobicContact CB-CG 4.29Å; A124-R126 PolarHBondContact O-N 2.78Å |
| 125 | P | 50.8 | Low | 59.3 | Low | 129 Ų | 129 | 117.7 Ų | 117.7 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | trans | -75.5 | 59.8 | 171.8 | 33.5 | -35.6 | 0 | 0 | 0 | 110.3 | R127 | P125-R127 VanDerWaalsContact C-N 3.26Å; P125-R127 PolarHBondContact O-N 3.32Å | ||
| 126 | R | 54.8 | Low | 58.7 | Low | 181 Ų | 181 | 120.2 Ų | 120.2 | 68% | 0.683 | 67% | 0.666 | S | S | * | * | trans | -66.4 | 93.4 | 165.1 | -77.7 | -174.7 | 136.4 | -113.1 | -7.6 | 106.9 | D119 A124 Q128 | D119-R126 WeakPolarHBondContact OD1-CD 3.36Å; A124-R126 HydrophobicContact CB-CG 4.29Å; A124-R126 PolarHBondContact O-N 2.78Å; R126-Q128 PolarHBondContact O-N 2.9Å | ||
| 127 | R | 57.1 | Low | 57.5 | Low | 210 Ų | 210 | 118.9 Ų | 118.9 | 79% | 0.792 | 66% | 0.664 | S | S | * | * | trans | -62.2 | 76.3 | 177.2 | -58.4 | 174.5 | 99.4 | -96.8 | 4.4 | 109.7 | P125 T129 | P125-R127 VanDerWaalsContact C-N 3.26Å; P125-R127 PolarHBondContact O-N 3.32Å; R127-T129 VanDerWaalsContact C-N 3.28Å; R127-T129 PolarHBondContact O-N 3.16Å; R127-T129 PolarHBondContact O-OG1 3.36Å | ||
| 128 | Q | 49.8 | Very low | 56.1 | Low | 169 Ų | 169 | 121.5 Ų | 121.5 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | trans | -57.7 | 101.1 | 161.6 | -69 | -164.3 | 18.5 | 0 | 0 | 106 | R126 G130 | R126-Q128 PolarHBondContact O-N 2.9Å; Q128-G130 PolarHBondContact O-N 3.04Å | ||
| 129 | T | 53.9 | Low | 55.1 | Low | 98 Ų | 98 | 122.2 Ų | 122.2 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | trans | -78.1 | 71.5 | 174.4 | -57.1 | 0 | 0 | 0 | 0 | 106.5 | R127 H131 | R127-T129 VanDerWaalsContact C-N 3.28Å; R127-T129 PolarHBondContact O-N 3.16Å; R127-T129 PolarHBondContact O-OG1 3.36Å; T129-H131 PolarHBondContact O-CE1 3.34Å; T129-H131 PolarHBondContact O-N 3.23Å; T129-H131 PolarHBondContact O-ND1 3.12Å | ||
| 130 | G | 46.6 | Very low | 54.1 | Low | 61 Ų | 61 | 122.7 Ų | 122.7 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | trans | -57.7 | 120 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q128 P132 | Q128-G130 PolarHBondContact O-N 3.04Å; G130-P132 VanDerWaalsContact O-CD 3.26Å; G130-P132 WeakPolarHBondContact O-CD 3.45Å | ||
| 131 | H | 48.6 | Very low | 52.9 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | -77.6 | 114.6 | 179 | -66.3 | 46.9 | 0 | 0 | 0 | 106.8 | T129 S133 | T129-H131 PolarHBondContact O-CE1 3.34Å; T129-H131 PolarHBondContact O-N 3.23Å; T129-H131 PolarHBondContact O-ND1 3.12Å; H131-S133 PolarHBondContact O-N 2.81Å | ||
| 132 | P | 50.5 | Low | 52.8 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -75.6 | 96.4 | -178.4 | 31 | -33.2 | 0 | 0 | 0 | 109 | G130 V134 | G130-P132 VanDerWaalsContact O-CD 3.26Å; G130-P132 WeakPolarHBondContact O-CD 3.45Å; P132-V134 HydrophobicContact CB-CG2 4.25Å; P132-V134 PolarHBondContact O-N 3.46Å | ||
| 133 | S | 50.4 | Low | 52.1 | Low | 115 Ų | 115 | 125.6 Ų | 125.6 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -72.9 | 76.8 | 168.5 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | H131 T135 | H131-S133 PolarHBondContact O-N 2.81Å; S133-T135 PolarHBondContact O-N 3.48Å | ||
| 134 | V | 53.4 | Low | 51.3 | Low | 120 Ų | 120 | 124.3 Ų | 124.3 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -75 | 105.7 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | P132 V136 | P132-V134 HydrophobicContact CB-CG2 4.25Å; P132-V134 PolarHBondContact O-N 3.46Å; V134-V136 PolarHBondContact O-N 3.44Å | ||
| 135 | T | 48.6 | Very low | 51.4 | Low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -69 | 116.9 | 165.5 | 45.7 | 0 | 0 | 0 | 0 | 108.9 | S133 | S133-T135 PolarHBondContact O-N 3.48Š|
| 136 | V | 67.9 | Low | 51.2 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 137.1 | 173.9 | -162.9 | 0 | 0 | 0 | 0 | 108.9 | V134 C140 | V134-V136 PolarHBondContact O-N 3.44Å; V136-C140 HydrophobicContact CG1-CB 4.01Å |
| 137 | A | 54 | Low | 50.9 | Low | 66 Ų | 66 | 129.4 Ų | 129.4 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 148 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 138 | P | 50 | Low | 50.3 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 147 | 171.3 | -19.5 | 31.9 | 0 | 0 | 0 | 110.5 | ||
| 139 | N | 45.5 | Very low | 50.1 | Low | 151 Ų | 151 | 125.2 Ų | 125.2 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80 | 20.1 | 175.4 | -34.8 | -15.3 | 0 | 0 | 0 | 116 | D141 | N139-D141 PolarHBondContact O-N 2.84Š|
| 140 | C | 48.6 | Very low | 49.8 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | trans | -80.4 | 87.1 | 163.1 | -68.5 | 0 | 0 | 0 | 0 | 110.2 | V136 | V136-C140 HydrophobicContact CG1-CB 4.01Š| ||
| 141 | D | 45.3 | Very low | 49.8 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -62.2 | 137.7 | 171.4 | -64.3 | -35.7 | 0 | 0 | 0 | 110.1 | N139 | N139-D141 PolarHBondContact O-N 2.84Š| ||
| 142 | S | 59 | Low | 49.8 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -69.5 | 144.3 | -175.4 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 143 | D | 47.7 | Very low | 50.1 | Low | 170 Ų | 170 | 135.5 Ų | 135.5 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | 132.4 | 19.7 | 160.8 | -65.3 | -10.3 | 0 | 0 | 0 | 116.1 | ||||
| 144 | S | 47.9 | Very low | 50.8 | Low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -110.3 | 138.3 | 161.6 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 145 | E | 48.8 | Very low | 51.4 | Low | 187 Ų | 187 | 134 Ų | 134 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.9 | -168.4 | -69.2 | 176.4 | 112.1 | 0 | 0 | 114.1 | ||
| 146 | L | 47.6 | Very low | 52.6 | Low | 157 Ų | 157 | 132.5 Ų | 132.5 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 139.6 | 163.1 | -66.6 | 170.6 | 0 | 0 | 0 | 109.5 | V148 | L146-V148 PolarHBondContact O-N 2.73Å; L146-V148 VanDerWaalsContact O-N 3.11Å |
| 147 | P | 48 | Very low | 52.2 | Low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123 | 174.1 | 24.5 | -32.9 | 0 | 0 | 0 | 109.4 | L149 | P147-L149 PolarHBondContact O-N 2.94Š|
| 148 | V | 43.8 | Very low | 52.5 | Low | 126 Ų | 126 | 138.2 Ų | 138.2 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 122.7 | -172.9 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L146 Q150 | L146-V148 PolarHBondContact O-N 2.73Å; L146-V148 VanDerWaalsContact O-N 3.11Å; V148-Q150 VanDerWaalsContact C-N 3.29Å; V148-Q150 PolarHBondContact O-N 3.17Å |
| 149 | L | 45.4 | Very low | 53.2 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -58.1 | 94.2 | 164 | -109.1 | 162.4 | 0 | 0 | 0 | 108.3 | P147 R151 | P147-L149 PolarHBondContact O-N 2.94Å; L149-R151 PolarHBondContact O-N 3.34Å | ||
| 150 | Q | 47.5 | Very low | 53.9 | Low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -61.8 | 102.7 | 177.2 | -171.5 | 175.6 | 12.7 | 0 | 0 | 108 | V148 | V148-Q150 VanDerWaalsContact C-N 3.29Å; V148-Q150 PolarHBondContact O-N 3.17Å | ||
| 151 | R | 48 | Very low | 54.4 | Low | 218 Ų | 218 | 134.4 Ų | 134.4 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 132.3 | 170.2 | -69.7 | -178.5 | 177 | 154.1 | 1.9 | 107.1 | L149 D153 | L149-R151 PolarHBondContact O-N 3.34Å; R151-D153 PolarHBondContact O-N 2.89Å |
| 152 | P | 48.4 | Very low | 55.1 | Low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.5 | 168.9 | 25.7 | -32.3 | 0 | 0 | 0 | 108.6 | ||
| 153 | D | 55.8 | Low | 55 | Low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145.9 | 179.7 | -76.8 | -49.8 | 0 | 0 | 0 | 111.1 | R151 | R151-D153 PolarHBondContact O-N 2.89Š|
| 154 | P | 66 | Low | 55.3 | Low | 104 Ų | 104 | 129.3 Ų | 129.3 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 136.1 | 176.7 | 26 | -33.8 | 0 | 0 | 0 | 110 | T156 | P154-T156 PolarHBondContact O-N 3.31Å; P154-T156 VanDerWaalsContact O-N 3.08Å |
| 155 | P | 65.2 | Low | 55.8 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62 | 116.5 | -171.8 | 23.7 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 156 | T | 74.8 | Confident | 56 | Low | 98 Ų | 98 | 128.6 Ų | 128.6 | 60% | 0.601 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 157.3 | 172.6 | 46.3 | 0 | 0 | 0 | 0 | 110.6 | P154 L158 S159 L160 | P154-T156 PolarHBondContact O-N 3.31Å; P154-T156 VanDerWaalsContact O-N 3.08Å; T156-L158 PolarHBondContact O-N 3.48Å; T156-L158 VanDerWaalsContact O-N 3.08Å; T156-S159 WeakPolarHBondContact O-CA 3.32Å; T156-S159 WeakPolarHBondContact O-CB 3.47Å; T156-S159 PolarHBondContact O-N 2.9Å; T156-L160 PolarHBondContact O-N 2.93Å |
| 157 | Q | 58.6 | Low | 56.2 | Low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -57.1 | -29.5 | -175.1 | -68.5 | 179 | -16.7 | 0 | 0 | 113.5 | S159 L160 L161 | Q157-S159 VanDerWaalsContact C-N 3.31Å; Q157-S159 PolarHBondContact O-N 2.92Å; Q157-L160 PolarHBondContact O-N 3.44Å; Q157-L161 WeakPolarHBondContact O-CG 3.39Å; Q157-L161 PolarHBondContact O-N 3.26Å; Q157-L161 VanDerWaalsContact O-N 3.11Å |
| 158 | L | 61.2 | Low | 56.6 | Low | 134 Ų | 134 | 128.1 Ų | 128.1 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -66.5 | -30.1 | 174 | -61.8 | 176.3 | 0 | 0 | 0 | 113 | T156 L161 S162 | T156-L158 PolarHBondContact O-N 3.48Å; T156-L158 VanDerWaalsContact O-N 3.08Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; L158-L161 PolarHBondContact O-N 3.28Å; L158-S162 WeakPolarHBondContact O-CB 3.23Å; L158-S162 PolarHBondContact O-N 3.18Å; L158-S162 PolarHBondContact O-OG 2.96Å |
| 159 | S | 63.5 | Low | 57.2 | Low | 40 Ų | 40 | 130.6 Ų | 130.6 | 28% | 0.28 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -73.2 | -36.6 | 177.5 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | T156 Q157 S162 Q163 | T156-S159 WeakPolarHBondContact O-CA 3.32Å; T156-S159 WeakPolarHBondContact O-CB 3.47Å; T156-S159 PolarHBondContact O-N 2.9Å; Q157-S159 VanDerWaalsContact C-N 3.31Å; Q157-S159 PolarHBondContact O-N 2.92Å; S159-S162 WeakPolarHBondContact CA-OG 3.4Å; S159-S162 PolarHBondContact O-N 3.24Å; S159-S162 PolarHBondContact O-OG 2.9Å; S159-Q163 WeakPolarHBondContact O-CG 3.26Å; S159-Q163 PolarHBondContact O-N 3.04Å; S159-Q163 VanDerWaalsContact O-N 3.15Å |
| 160 | L | 61.4 | Low | 57.6 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 59% | 0.592 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63.9 | -43 | 169.8 | -86.5 | 161.2 | 0 | 0 | 0 | 111.5 | T156 Q157 Q163 S164 | T156-L160 PolarHBondContact O-N 2.93Å; Q157-L160 PolarHBondContact O-N 3.44Å; L160-Q163 PolarHBondContact O-N 3.34Å; L160-S164 WeakPolarHBondContact O-CB 3.25Å; L160-S164 PolarHBondContact O-N 3.46Å |
| 161 | L | 58.1 | Low | 57.5 | Low | 118 Ų | 118 | 125.7 Ų | 125.7 | 62% | 0.618 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.1 | -40.4 | 175.1 | -70.8 | 167.3 | 0 | 0 | 0 | 112.1 | Q157 L158 Q163 S164 | Q157-L161 WeakPolarHBondContact O-CG 3.39Å; Q157-L161 PolarHBondContact O-N 3.26Å; Q157-L161 VanDerWaalsContact O-N 3.11Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; L158-L161 PolarHBondContact O-N 3.28Å; L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 2.85Å; L161-S164 PolarHBondContact O-N 3.49Å |
| 162 | S | 60.4 | Low | 57.5 | Low | 73 Ų | 73 | 122.2 Ų | 122.2 | 51% | 0.51 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -68.8 | -24 | 178.8 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | L158 S159 | L158-S162 WeakPolarHBondContact O-CB 3.23Å; L158-S162 PolarHBondContact O-N 3.18Å; L158-S162 PolarHBondContact O-OG 2.96Å; S159-S162 WeakPolarHBondContact CA-OG 3.4Å; S159-S162 PolarHBondContact O-N 3.24Å; S159-S162 PolarHBondContact O-OG 2.9Å |
| 163 | Q | 56.9 | Low | 57.2 | Low | 153 Ų | 153 | 125.2 Ų | 125.2 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -84.4 | -14.4 | 174.5 | -71.9 | 177.9 | 33.4 | 0 | 0 | 112.7 | S159 L160 L161 | S159-Q163 WeakPolarHBondContact O-CG 3.26Å; S159-Q163 PolarHBondContact O-N 3.04Å; S159-Q163 VanDerWaalsContact O-N 3.15Å; L160-Q163 PolarHBondContact O-N 3.34Å; L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 2.85Å |
| 164 | S | 54.8 | Low | 56.6 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -104 | 30.3 | -169.4 | -172.2 | 0 | 0 | 0 | 0 | 114.2 | L160 L161 | L160-S164 WeakPolarHBondContact O-CB 3.25Å; L160-S164 PolarHBondContact O-N 3.46Å; L161-S164 PolarHBondContact O-N 3.49Å |
| 165 | I | 56.8 | Low | 55.2 | Low | 144 Ų | 144 | 128 Ų | 128 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -122.6 | 7.8 | -177.9 | 35.3 | 173.1 | 0 | 0 | 0 | 114.5 | ||
| 166 | M | 53.4 | Low | 53.7 | Low | 140 Ų | 140 | 128.2 Ų | 128.2 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | trans | -153.7 | 57 | 177.2 | -151.9 | 172.2 | 57.7 | 0 | 0 | 114.1 | Q168 | M166-Q168 HydrophobicContact CG-CG 3.9Å; M166-Q168 PolarHBondContact O-N 3.48Å | ||
| 167 | D | 52 | Low | 51.6 | Low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | trans | -68.8 | 96.2 | 161.5 | -102.3 | -17.9 | 0 | 0 | 0 | 109 | E169 A170 | D167-E169 PolarHBondContact O-N 3.25Å; D167-A170 PolarHBondContact O-N 3.18Å | ||
| 168 | Q | 56.5 | Low | 50.5 | Low | 127 Ų | 127 | 129 Ų | 129 | 59% | 0.593 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -71.9 | -11.7 | -177 | -65 | -175.5 | -12.7 | 0 | 0 | 113.3 | M166 A170 | M166-Q168 HydrophobicContact CG-CG 3.9Å; M166-Q168 PolarHBondContact O-N 3.48Å; Q168-A170 VanDerWaalsContact C-N 3.26Å; Q168-A170 PolarHBondContact O-N 2.81Å |
| 169 | E | 55.9 | Low | 49.3 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -74.1 | -15.7 | 175.7 | -61.3 | -171 | 170.9 | 0 | 0 | 112.7 | D167 L171 | D167-E169 PolarHBondContact O-N 3.25Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.79Å |
| 170 | A | 53.5 | Low | 48 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -82.6 | -0.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D167 Q168 | D167-A170 PolarHBondContact O-N 3.18Å; Q168-A170 VanDerWaalsContact C-N 3.26Å; Q168-A170 PolarHBondContact O-N 2.81Å |
| 171 | L | 46.3 | Very low | 46.8 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -108.9 | 4.5 | -172.7 | -95.7 | 164.8 | 0 | 0 | 0 | 115.2 | E169 | E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.79Å |
| 172 | N | 48.1 | Very low | 45.6 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -111.7 | 24.2 | -176.5 | -76.1 | -34.3 | 0 | 0 | 0 | 114.5 | ||||
| 173 | E | 41.6 | Very low | 44.4 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -118.6 | 71.5 | 174 | -69.9 | -164.2 | -151.5 | 0 | 0 | 112.7 | ||||
| 174 | V | 43.5 | Very low | 43.4 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | -133 | 116.3 | 155.7 | -164.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 175 | E | 36.4 | Very low | 42.3 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | -161.2 | 143.3 | 81.5 | -94.3 | -174.9 | 171.9 | 0 | 0 | 114.8 | |||||
| 176 | V | 33.5 | Very low | 41.2 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | trans | 67.7 | 105.2 | 142.9 | 179.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 177 | S | 31.7 | Very low | 40.1 | Very low | 82 Ų | 82 | 146.2 Ų | 146.2 | 57% | 0.573 | 76% | 0.756 | S | S | * | * | -173.3 | 107.1 | 112.7 | -80.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 178 | R | 35.3 | Very low | 39.2 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | 41.7 | 128.3 | 128.4 | 47.5 | -173 | 153 | -109.2 | -18.7 | 123 | |||||
| 179 | E | 34.7 | Very low | 37.9 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | 60.1 | 129.3 | 145.8 | -91.1 | 66.4 | -168.6 | 0 | 0 | 124.3 | ||||
| 180 | D | 36.3 | Very low | 36.8 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 56.2 | 118 | 148.6 | -69.7 | -14 | 0 | 0 | 0 | 122 | ||||
| 181 | V | 36.5 | Very low | 35.5 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | -153.9 | 149.4 | 99.3 | 166.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 182 | R | 32.9 | Very low | 34.7 | Very low | 224 Ų | 224 | 137.8 Ų | 137.8 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -71 | 164.4 | -172.2 | -69.2 | -173.2 | -72.7 | -112.4 | 0.2 | 116.5 | ||||
| 183 | D | 34.9 | Very low | 34 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -53.1 | 154.5 | 169.4 | -45.4 | -88 | 0 | 0 | 0 | 114.5 | ||||
| 184 | E | 36.3 | Very low | 33.5 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | -172.4 | 114 | 111.7 | -87.9 | -52.5 | 172.2 | 0 | 0 | 111.5 | |||||
| 185 | D | 32.4 | Very low | 33.1 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 79.5 | 143.9 | 130 | -128 | 1.5 | 0 | 0 | 0 | 126.3 | |||||
| 186 | L | 34.5 | Very low | 32.9 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 80.7 | 95 | 159.8 | -53.4 | -175 | 0 | 0 | 0 | 124 | ||||
| 187 | S | 30 | Very low | 32.9 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 74.6 | 118.3 | 112.2 | -151.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 188 | S | 33.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 32.4 | 117 | 131.3 | -42.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 189 | S | 27.5 | Very low | 33 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | 177.6 | 150.5 | 115.9 | -168.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 190 | S | 33 | Very low | 33.1 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -54.6 | 152.8 | 170.2 | -178.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 191 | G | 26.6 | Very low | 33 | Very low | 64 Ų | 64 | 151 Ų | 151 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 154.3 | 85.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 192 | S | 30.5 | Very low | 33.1 | Very low | 87 Ų | 87 | 152.4 Ų | 152.4 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | 29.8 | 142 | 143.4 | 89 | 0 | 0 | 0 | 0 | 123 | ||||
| 193 | R | 31.9 | Very low | 33.2 | Very low | 210 Ų | 210 | 149 Ų | 149 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | 97.6 | 116.2 | 147.2 | -68.6 | 172.7 | -87.8 | 150.4 | -5.6 | 119.6 | ||||
| 194 | F | 32.1 | Very low | 33.2 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 77% | 0.768 | 78% | 0.775 | S | S | * | * | trans | 38.9 | 111.8 | 137.2 | -68.5 | -92.4 | 0 | 0 | 0 | 119.9 | ||||
| 195 | I | 33.9 | Very low | 33.1 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | -131.7 | 108.8 | 124.3 | -60.3 | -175.5 | 0 | 0 | 0 | 109.4 | R197 | I195-R197 HydrophobicContact CG2-CB 4.32Å; I195-R197 HydrophobicContact CG2-CG 4.1Å | |||
| 196 | R | 33.3 | Very low | 33.3 | Very low | 220 Ų | 220 | 152.3 Ų | 152.3 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 127.6 | 152.8 | -78.1 | -172.4 | 177.8 | -163 | 0.8 | 107.4 | ||||
| 197 | R | 34.2 | Very low | 33.2 | Very low | 236 Ų | 236 | 152 Ų | 152 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 109.6 | 159.4 | -101.1 | -177.8 | 169.5 | 158 | -1.8 | 111.2 | I195 | I195-R197 HydrophobicContact CG2-CB 4.32Å; I195-R197 HydrophobicContact CG2-CG 4.1Å | ||
| 198 | T | 35.6 | Very low | 33.2 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | trans | -93 | 144.9 | 173.2 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 199 | N | 32.9 | Very low | 33.1 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -175 | 110 | 137.4 | -93.8 | -40.1 | 0 | 0 | 0 | 108.3 | ||||
| 200 | I | 36 | Very low | 33.3 | Very low | 115 Ų | 115 | 158.1 Ų | 158.1 | 59% | 0.59 | 80% | 0.799 | S | S | * | * | 69 | 108.5 | 72.7 | -62 | 172.4 | 0 | 0 | 0 | 113.6 | K202 | I200-K202 HydrophobicContact CG2-CD 4.36Å; I200-K202 HydrophobicContact CG2-CG 4.08Å | |||
| 201 | R | 35.4 | Very low | 33.2 | Very low | 245 Ų | 245 | 161.6 Ų | 161.6 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -169.3 | 91.9 | 139.9 | -97 | 160.1 | -163.1 | -143.8 | 5 | 106.6 | ||||
| 202 | K | 37.8 | Very low | 33.5 | Very low | 181 Ų | 181 | 168.5 Ų | 168.5 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | 62.4 | 103.6 | 83.4 | -69.8 | -175.8 | 179.6 | 176.1 | 0 | 114.7 | I200 | I200-K202 HydrophobicContact CG2-CD 4.36Å; I200-K202 HydrophobicContact CG2-CG 4.08Å | |||
| 203 | T | 34.4 | Very low | 33.5 | Very low | 151 Ų | 151 | 176.1 Ų | 176.1 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -130.7 | 150.1 | 132.7 | 46.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 204 | K | 36.5 | Very low | 33.3 | Very low | 202 Ų | 202 | 175.9 Ų | 175.9 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | trans | -108.1 | 138.8 | -177.7 | -70.8 | 173.5 | 172.5 | 177.9 | 0 | 109.7 | ||||
| 205 | T | 32.9 | Very low | 33.1 | Very low | 151 Ų | 151 | 170.5 Ų | 170.5 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -142.5 | 119.3 | 134.5 | 38 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 206 | L | 37.2 | Very low | 32.7 | Very low | 162 Ų | 162 | 170 Ų | 170 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -143.1 | 120.9 | 168.5 | -179.1 | 75.7 | 0 | 0 | 0 | 107.7 | ||||
| 207 | T | 31.5 | Very low | 32.3 | Very low | 135 Ų | 135 | 169.1 Ų | 169.1 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -103.3 | 135.8 | 160.8 | 36.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 208 | R | 30.6 | Very low | 32.1 | Very low | 230 Ų | 230 | 165.9 Ų | 165.9 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -60.8 | 139.3 | 179.7 | -79.6 | 147.8 | 42.1 | -178.4 | -9.9 | 110.3 | ||||
| 209 | A | 30.8 | Very low | 31.5 | Very low | 82 Ų | 82 | 163.8 Ų | 163.8 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | cis | 73.2 | 110.6 | 47.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 210 | T | 31.3 | Very low | 31.2 | Very low | 149 Ų | 149 | 161.8 Ų | 161.8 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -168.9 | 108 | 138.8 | 29.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 211 | Q | 31.9 | Very low | 30.9 | Very low | 193 Ų | 193 | 164.5 Ų | 164.5 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -115 | 114.7 | 162 | -169.4 | 178.9 | 18.5 | 0 | 0 | 108.4 | ||||
| 212 | K | 33.1 | Very low | 30.6 | Very low | 210 Ų | 210 | 157.5 Ų | 157.5 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -79.3 | 132.5 | 173.8 | -87.6 | -177.6 | 173.6 | 176.5 | 0 | 109.9 | ||||
| 213 | R | 30.8 | Very low | 30.3 | Very low | 247 Ų | 247 | 152.8 Ų | 152.8 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -99.1 | 140.2 | 165.6 | -93.7 | -174.7 | 160.4 | -161.8 | -4.5 | 111.1 | ||||
| 214 | K | 27.3 | Very low | 29.9 | Very low | 204 Ų | 204 | 148.9 Ų | 148.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -163.3 | 118.1 | 149.1 | -146.3 | 164.6 | -178.8 | 178.3 | 0 | 104.2 | ||||
| 215 | G | 26.9 | Very low | 29.8 | Very low | 62 Ų | 62 | 148.1 Ų | 148.1 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | 91.6 | 124.2 | 56.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 216 | H | 26.5 | Very low | 29.7 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | cis | -165.7 | 156.6 | 20.4 | -86.6 | -78.3 | 0 | 0 | 0 | 112.3 | ||||
| 217 | R | 25.5 | Very low | 29.3 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 61.6 | 155 | 138.6 | -74.3 | -176.1 | -105.3 | -125.1 | 4.6 | 118.8 | ||||
| 218 | L | 28.6 | Very low | 29.5 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | cis | -130.2 | 178.9 | -4.8 | -73.3 | 98.5 | 0 | 0 | 0 | 107.4 | ||||
| 219 | G | 24.4 | Very low | 30.1 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | 140.5 | 147.6 | -0 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 220 | S | 26.3 | Very low | 30.1 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 69.6 | 151.2 | -177.8 | -92.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 221 | H | 28.4 | Very low | 30.3 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | cis | -138.4 | 160.2 | 3.9 | -114.4 | -62.7 | 0 | 0 | 0 | 113.5 | ||||
| 222 | A | 29.9 | Very low | 30.7 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -28.1 | 154.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 223 | G | 31.6 | Very low | 30.5 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | cis | 162.6 | 174.2 | 21.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 224 | G | 26.5 | Very low | 30.5 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | 144.6 | 116.9 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 225 | K | 33.4 | Very low | 30.8 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 73.3 | 153.8 | 174.6 | -52.4 | 168.6 | 157.4 | -85.4 | 0 | 114.9 | ||||
| 226 | E | 32 | Very low | 30.9 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 62% | 0.621 | 76% | 0.762 | S | S | * | * | cis | -165.9 | 147 | -14.7 | -111.9 | 165.9 | -135.4 | 0 | 0 | 110 | ||||
| 227 | N | 29 | Very low | 30.9 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | 84 | 139.3 | 135.4 | -80.6 | -41.7 | 0 | 0 | 0 | 125.5 | ||||
| 228 | I | 35.3 | Very low | 31.5 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | 85.1 | 124.4 | 153.7 | -61 | 145.7 | 0 | 0 | 0 | 119.3 | ||||
| 229 | P | 41.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -94.8 | 155.2 | 172.9 | 37.9 | -33.9 | 0 | 0 | 0 | 113.2 | ||||
| 230 | V | 32.3 | Very low | 33.2 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -139.6 | 129.3 | 170.1 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 231 | T | 34.7 | Very low | 34.5 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -117.3 | 141.6 | 161.2 | 44 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 232 | P | 39.6 | Very low | 35 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | -156.2 | 140.5 | 114.2 | 33.5 | -12.4 | 0 | 0 | 0 | 119 | |||||
| 233 | I | 30.5 | Very low | 35.1 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | 75.8 | 116.5 | 126.3 | -58.5 | 170.7 | 0 | 0 | 0 | 123.3 | |||||
| 234 | R | 30.3 | Very low | 35.5 | Very low | 231 Ų | 231 | 134 Ų | 134 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | 21.2 | 136.9 | 137.8 | -57.3 | 167.7 | 67.5 | 171.6 | 1.8 | 122.6 | ||||
| 235 | S | 32.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | 148.6 | 141.4 | 109.7 | -164.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 236 | G | 28.8 | Very low | 35.9 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | 172.1 | -169 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 237 | R | 28.3 | Very low | 36.4 | Very low | 254 Ų | 254 | 133.9 Ų | 133.9 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | 92.7 | 133.4 | 174.5 | -155.7 | 174.7 | -166.5 | -178.1 | 3.9 | 117.6 | ||||
| 238 | A | 36.3 | Very low | 36.9 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -150 | -176.9 | 172 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 239 | P | 53.8 | Low | 36.8 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | cis | -124.1 | -178.7 | -11.9 | 40.9 | -26 | 0 | 0 | 0 | 112.7 | ||||
| 240 | D | 35 | Very low | 36.3 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -167.1 | 157.1 | 121 | -103.1 | -15.8 | 0 | 0 | 0 | 112.4 | |||||
| 241 | P | 54 | Low | 36.6 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | trans | -105.2 | 176.5 | -169 | 40.1 | -34.5 | 0 | 0 | 0 | 114.5 | ||||
| 242 | T | 38.8 | Very low | 36.8 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | 97.6 | 90.3 | 162 | -38.4 | 0 | 0 | 0 | 0 | 117.8 | L244 | T242-L244 HydrophobicContact CG2-CG 4.26Š| ||
| 243 | A | 33.1 | Very low | 36.4 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -157.5 | 87 | 147.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 244 | L | 38.3 | Very low | 36.6 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | 79.6 | 124.1 | 81.3 | -75.4 | 175.1 | 0 | 0 | 0 | 114.6 | T242 | T242-L244 HydrophobicContact CG2-CG 4.26Š| |||
| 245 | N | 34.3 | Very low | 36.7 | Very low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 163.4 | -178.9 | -78.7 | -49 | 0 | 0 | 0 | 113.4 | ||||
| 246 | A | 34.4 | Very low | 36.6 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | trans | 75.4 | 112 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 247 | T | 43.6 | Very low | 36.5 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | 45.7 | 97.5 | 129 | 62.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 248 | A | 38.4 | Very low | 36.3 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -160.4 | 100.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 249 | A | 34.3 | Very low | 36.4 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -138.1 | 64.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 250 | V | 29.8 | Very low | 35 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -144 | 118.5 | 162.1 | -162.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 251 | K | 38.6 | Very low | 34.8 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | 152.7 | 145.2 | 129.1 | -84.9 | -178.2 | -178.5 | 176.1 | 0 | 114.2 | |||||
| 252 | R | 39.9 | Very low | 33.8 | Very low | 227 Ų | 227 | 149.3 Ų | 149.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | 80.4 | 92.9 | 154.5 | -75.3 | 174 | -87.4 | -152.8 | -0.9 | 118.5 | ||||
| 253 | F | 32 | Very low | 33.3 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -82.3 | 121.5 | 150 | -81.6 | -89.6 | 0 | 0 | 0 | 111.1 | ||||
| 254 | L | 34.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 54.9 | 113.4 | 138.1 | -53.6 | 177.6 | 0 | 0 | 0 | 121.5 | ||||
| 255 | T | 31.1 | Very low | 33 | Very low | 139 Ų | 139 | 152 Ų | 152 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -134.2 | 120.1 | 146.8 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 256 | K | 30.2 | Very low | 32.9 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | 169.3 | 97.2 | 146.8 | -99.9 | 178.8 | 175.6 | -176.5 | 0 | 113.5 | ||||
| 257 | Q | 26.9 | Very low | 32.7 | Very low | 193 Ų | 193 | 153.8 Ų | 153.8 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | 20 | 124.6 | 115.7 | -161.5 | 174.1 | 27 | 0 | 0 | 118.8 | |||||
| 258 | R | 24.5 | Very low | 32.4 | Very low | 240 Ų | 240 | 152.7 Ų | 152.7 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -144.6 | 143.9 | 156.2 | -170.6 | 175.6 | -177 | 175.1 | 1.8 | 109.5 | ||||
| 259 | P | 37.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 154 Ų | 154 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -108.9 | -177.1 | -171.5 | 41.9 | -36.3 | 0 | 0 | 0 | 115.3 | ||||
| 260 | S | 25.2 | Very low | 32.3 | Very low | 98 Ų | 98 | 156.4 Ų | 156.4 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | 91.6 | 106.9 | 157.8 | 82.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 261 | D | 30.7 | Very low | 32.3 | Very low | 129 Ų | 129 | 155.2 Ų | 155.2 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | 96.5 | 109 | 116.9 | -72.4 | 29.2 | 0 | 0 | 0 | 123.5 | |||||
| 262 | Q | 32.9 | Very low | 32.2 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | 98.3 | 132.7 | 124.2 | -70 | 177.4 | 48.7 | 0 | 0 | 122.3 | |||||
| 263 | N | 28.1 | Very low | 31.9 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | trans | 89.9 | 116 | 157.2 | -84.9 | 30 | 0 | 0 | 0 | 123.6 | ||||
| 264 | E | 33.9 | Very low | 31.7 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 64.2 | 141.3 | 133.4 | -65.7 | 166.4 | -165.1 | 0 | 0 | 119.2 | ||||
| 265 | E | 32.6 | Very low | 31.5 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | cis | -156.7 | 170.9 | -13.8 | -125.7 | 176.5 | -173.6 | 0 | 0 | 109.3 | ||||
| 266 | E | 30.7 | Very low | 31.4 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -6 | 130.6 | 171.8 | -50.7 | -169.8 | 147.6 | 0 | 0 | 121.8 | ||||
| 267 | A | 31.4 | Very low | 31.5 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | -176.3 | 147 | 114.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 268 | S | 36.7 | Very low | 31.7 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -89 | -174.5 | -178.1 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 269 | V | 35.7 | Very low | 32.3 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 111.3 | 95.4 | 153.2 | -174.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 270 | L | 35.6 | Very low | 32.2 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | 66.9 | 113 | 120.6 | -141.3 | 81.7 | 0 | 0 | 0 | 122.7 | |||||
| 271 | V | 29.1 | Very low | 32.5 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | trans | 38.6 | 113.6 | 132.3 | -171.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 272 | S | 35.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | -172.7 | 122.1 | 127.6 | -79.1 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 273 | Q | 35.2 | Very low | 32.5 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | cis | 68.8 | 133.6 | 35.4 | -143.9 | -174.9 | 36.4 | 0 | 0 | 114.5 | ||||
| 274 | V | 27.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 146 Ų | 146 | 67% | 0.673 | 81% | 0.807 | S | S | * | * | trans | 92.1 | 96.4 | 164.8 | -166.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 275 | L | 29.8 | Very low | 32.4 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | 35.5 | 122.1 | 125.9 | -49.7 | 173.1 | 0 | 0 | 0 | 119.5 | A277 | L275-A277 VanDerWaalsContact C-N 3.29Å; L275-A277 PolarHBondContact O-N 2.74Å | |||
| 276 | N | 29 | Very low | 32.6 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 97% | 0.968 | 81% | 0.814 | S | S | * | * | trans | -68.8 | 91.6 | 142.5 | -95 | -13.5 | 0 | 0 | 0 | 109 | ||||
| 277 | A | 32.6 | Very low | 32.8 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 61% | 0.612 | 81% | 0.81 | S | S | * | * | trans | -104.9 | 127.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | L275 | L275-A277 VanDerWaalsContact C-N 3.29Å; L275-A277 PolarHBondContact O-N 2.74Å | ||
| 278 | E | 31.3 | Very low | 32.8 | Very low | 193 Ų | 193 | 149 Ų | 149 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -66.8 | 142.3 | -169.2 | -63.2 | -176.4 | 156.9 | 0 | 0 | 113.1 | ||||
| 279 | L | 36.2 | Very low | 32.7 | Very low | 164 Ų | 164 | 151 Ų | 151 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 144.3 | 179.7 | -89.4 | 66 | 0 | 0 | 0 | 112.8 | ||||
| 280 | P | 36.7 | Very low | 32.4 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -110.6 | 122.3 | 149.4 | 33.7 | -24.3 | 0 | 0 | 0 | 111.2 | ||||
| 281 | S | 30.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -93.7 | 149.6 | 167.8 | 81.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 282 | R | 29 | Very low | 32.3 | Very low | 237 Ų | 237 | 152.6 Ų | 152.6 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -124.6 | 135.6 | -176.9 | -96.8 | -173.3 | 168.7 | -126.6 | 1.8 | 111.5 | ||||
| 283 | Q | 34.1 | Very low | 32.2 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | 172 | 147.3 | 142.2 | -95.9 | 169.6 | 47.5 | 0 | 0 | 106.9 | ||||
| 284 | S | 31.1 | Very low | 32 | Very low | 123 Ų | 123 | 155 Ų | 155 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -164.5 | 140.6 | -16.4 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 285 | G | 29.8 | Very low | 32.1 | Very low | 74 Ų | 74 | 160.7 Ų | 160.7 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 171.2 | 61.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 286 | R | 36.3 | Very low | 32.3 | Very low | 230 Ų | 230 | 163.7 Ų | 163.7 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | 19 | 116.5 | 147.6 | -95 | -176 | -177.6 | -171.2 | 2.5 | 120.4 | ||||
| 287 | I | 35.6 | Very low | 32.3 | Very low | 147 Ų | 147 | 158.8 Ų | 158.8 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | 146.1 | 106.3 | 121.1 | -74.8 | 150 | 0 | 0 | 0 | 115.2 | |||||
| 288 | R | 31.9 | Very low | 32.2 | Very low | 213 Ų | 213 | 160.2 Ų | 160.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 53.5 | 117.9 | 138 | -66.1 | -178.3 | 168.9 | -178.6 | -2.9 | 123.3 | ||||
| 289 | K | 33.4 | Very low | 32 | Very low | 161 Ų | 161 | 157.7 Ų | 157.7 | 70% | 0.7 | 82% | 0.817 | S | S | * | * | 96.7 | 116.4 | 121.1 | -80.3 | -176.9 | 174.5 | -164.3 | 0 | 121.3 | |||||
| 290 | H | 28.6 | Very low | 31.6 | Very low | 158 Ų | 158 | 161.2 Ų | 161.2 | 73% | 0.731 | 82% | 0.819 | S | S | * | * | trans | 60.8 | 142.8 | 146.5 | -57.7 | -65.2 | 0 | 0 | 0 | 118.2 | ||||
| 291 | T | 31.9 | Very low | 31.3 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | cis | -160.1 | 144.6 | 1.1 | 2.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 292 | E | 30.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 161.1 Ų | 161.1 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | 31.9 | 110.5 | 136.2 | -74 | -74.3 | 130.6 | 0 | 0 | 120.7 | ||||
| 293 | R | 33.6 | Very low | 31.5 | Very low | 213 Ų | 213 | 158.4 Ų | 158.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 149.5 | 113.9 | 113 | -88.5 | 156.3 | -176.2 | -165.3 | -4.6 | 118.4 | |||||
| 294 | T | 30.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 156.4 Ų | 156.4 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 53.1 | 131 | 138.5 | 37.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 295 | R | 31.5 | Very low | 31.8 | Very low | 231 Ų | 231 | 156.5 Ų | 156.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 93.8 | 105.6 | 137.1 | -77.5 | 175.3 | -179.3 | -172.1 | 0.4 | 121.1 | ||||
| 296 | K | 32.8 | Very low | 32 | Very low | 208 Ų | 208 | 156.8 Ų | 156.8 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | 37.8 | 116.4 | 126.1 | -81.7 | -175.4 | 168.8 | -175.8 | 0 | 118.7 | |||||
| 297 | G | 29.7 | Very low | 32.1 | Very low | 79 Ų | 79 | 150 Ų | 150 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | -89.9 | 171.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 298 | A | 30.3 | Very low | 32.1 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -160.1 | 133.9 | 162 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 299 | C | 27.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 95% | 0.946 | 77% | 0.771 | S | S | * | * | trans | -98.5 | 146.6 | 161.7 | -70.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 300 | R | 28.5 | Very low | 32.9 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -106.6 | 108.3 | -171.2 | -172.9 | -178.4 | -178.2 | -160.9 | 1.1 | 111.2 | ||||
| 301 | A | 29.4 | Very low | 33.5 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | -91.2 | 157.1 | 160 | 0 | 0 | 0 | 0 | 0 | 109.8 | E303 | A301-E303 PolarHBondContact O-N 2.76Å; A301-E303 VanDerWaalsContact O-N 3.07Å | ||
| 302 | L | 36.5 | Very low | 34 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -82.2 | 79.9 | -178.4 | -81.2 | 156.6 | 0 | 0 | 0 | 111.6 | ||||
| 303 | E | 27.8 | Very low | 34.6 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -76.6 | 131.7 | 150.7 | -65.3 | -178.4 | 147 | 0 | 0 | 108.2 | A301 | A301-E303 PolarHBondContact O-N 2.76Å; A301-E303 VanDerWaalsContact O-N 3.07Å | ||
| 304 | L | 36.8 | Very low | 35.1 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -103.2 | 99.7 | 170.5 | -86.4 | 168 | 0 | 0 | 0 | 110.1 | ||||
| 305 | D | 34 | Very low | 36.2 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | trans | 50.6 | 74.2 | 154.5 | -64.6 | -1.6 | 0 | 0 | 0 | 118.9 | S307 | D305-S307 PolarHBondContact OD1-OG 3.08Š| ||
| 306 | G | 33.7 | Very low | 37.3 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -74.9 | 1.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S308 | G306-S308 PolarHBondContact O-N 3.37Š| ||
| 307 | S | 38.8 | Very low | 38.8 | Very low | 88 Ų | 88 | 119.5 Ų | 119.5 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | trans | -95.4 | 68.9 | -171.7 | 48.3 | 0 | 0 | 0 | 0 | 113.8 | D305 | D305-S307 PolarHBondContact OD1-OG 3.08Š| ||
| 308 | S | 36.5 | Very low | 40.4 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -128.4 | 27.4 | 161.3 | -154.6 | 0 | 0 | 0 | 0 | 112.8 | G306 | G306-S308 PolarHBondContact O-N 3.37Š|
| 309 | F | 40.8 | Very low | 42.4 | Very low | 113 Ų | 113 | 120 Ų | 120 | 50% | 0.496 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -128.9 | -17.1 | -173.5 | -91.1 | -69.3 | 0 | 0 | 0 | 116.9 | S311 L321 | F309-S311 PolarHBondContact O-N 3.31Å; F309-L321 HydrophobicContact CD1-CD2 4.4Å; F309-L321 HydrophobicContact CE1-CD1 3.31Å; F309-L321 HydrophobicContact CE1-CD2 3.21Å; F309-L321 HydrophobicContact CE1-CG 3.74Å; F309-L321 HydrophobicContact CZ-CD1 3.43Å; F309-L321 VanDerWaalsContact CZ-CD1 3.43Å; F309-L321 HydrophobicContact CZ-CD2 3.47Å; F309-L321 VanDerWaalsContact CZ-CD2 3.47Å; F309-L321 HydrophobicContact CZ-CG 3.8Å |
| 310 | A | 40.7 | Very low | 44.6 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 5.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 311 | S | 40.6 | Very low | 47 | Very low | 114 Ų | 114 | 104.8 Ų | 104.8 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 11.4 | -175.6 | -55.2 | 0 | 0 | 0 | 0 | 114.9 | F309 S313 | F309-S311 PolarHBondContact O-N 3.31Å; S311-S313 PolarHBondContact O-N 3.29Å |
| 312 | L | 43.3 | Very low | 49.2 | Very low | 98 Ų | 98 | 102.4 Ų | 102.4 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | trans | -97.2 | 72.9 | 169.5 | -71.2 | 175.5 | 0 | 0 | 0 | 110.2 | Q316 L321 | L312-Q316 HydrophobicContact CD2-CG 4.34Å; L312-L321 HydrophobicContact CD1-CD1 4.35Å | ||
| 313 | S | 42.6 | Very low | 51.2 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 84% | 0.839 | 61% | 0.613 | S | S | * | * | trans | -151.2 | 118.4 | 171.2 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | S311 | S311-S313 PolarHBondContact O-N 3.29Š| ||
| 314 | G | 45.6 | Very low | 53.8 | Low | 60 Ų | 60 | 97 Ų | 97 | 62% | 0.619 | 60% | 0.602 | S | S | * | * | S | Bend | cis | -98.2 | 173.3 | -20.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 315 | D | 52.4 | Low | 55.6 | Low | 164 Ų | 164 | 92.2 Ų | 92.2 | 88% | 0.877 | 58% | 0.575 | S | S | * | * | S | Bend | cis | -135.7 | 26.1 | 21.4 | -62.9 | -47.5 | 0 | 0 | 0 | 113 | S317 | D315-S317 PolarHBondContact O-N 2.95Š|
| 316 | Q | 55 | Low | 57.8 | Low | 138 Ų | 138 | 90.9 Ų | 90.9 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | trans | -73.5 | 113.9 | -177.3 | -66.1 | -65 | 0.7 | 0 | 0 | 111.9 | L312 | L312-Q316 HydrophobicContact CD2-CG 4.34Š| ||
| 317 | S | 65.3 | Low | 59.9 | Low | 68 Ų | 68 | 88.7 Ų | 88.7 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | trans | -57.4 | 136.9 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | D315 L319 G320 L321 | D315-S317 PolarHBondContact O-N 2.95Å; S317-L319 PolarHBondContact O-N 3.36Å; S317-L319 WeakPolarHBondContact OG-CB 3.36Å; S317-L319 PolarHBondContact OG-N 2.92Å; S317-G320 PolarHBondContact O-N 3.49Å; S317-L321 PolarHBondContact O-N 2.93Å | ||
| 318 | S | 62 | Low | 62 | Low | 98 Ų | 98 | 90 Ų | 90 | 69% | 0.685 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.1 | -17.1 | 175.2 | 54 | 0 | 0 | 0 | 0 | 113.8 | ||
| 319 | L | 72.9 | Confident | 64.1 | Low | 95 Ų | 95 | 86 Ų | 86 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -47.7 | 169 | -175.3 | 75.3 | 0 | 0 | 0 | 112.5 | S317 L321 L322 Q323 | S317-L319 PolarHBondContact O-N 3.36Å; S317-L319 WeakPolarHBondContact OG-CB 3.36Å; S317-L319 PolarHBondContact OG-N 2.92Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.93Å; L319-L322 PolarHBondContact O-N 3.13Å; L319-L322 VanDerWaalsContact O-N 3.08Å; L319-Q323 PolarHBondContact O-N 3.32Å |
| 320 | G | 73.8 | Confident | 65.6 | Low | 18 Ų | 18 | 86.8 Ų | 86.8 | 19% | 0.186 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S317 L322 Q323 D324 | S317-G320 PolarHBondContact O-N 3.49Å; G320-L322 VanDerWaalsContact C-N 3.33Å; G320-L322 PolarHBondContact O-N 2.94Å; G320-Q323 CarbonylContact O-C 3.59Å; G320-Q323 WeakPolarHBondContact O-CA 3.48Å; G320-Q323 VanDerWaalsContact O-CB 3.32Å; G320-Q323 WeakPolarHBondContact O-CB 3.36Å; G320-Q323 PolarHBondContact O-N 3.21Å; G320-Q323 VanDerWaalsContact O-N 3.1Å; G320-D324 PolarHBondContact O-N 2.82Å |
| 321 | L | 78.2 | Confident | 67.4 | Low | 40 Ų | 40 | 83.9 Ų | 83.9 | 21% | 0.209 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -54.7 | -45.3 | 170.4 | -178.5 | 83.1 | 0 | 0 | 0 | 113.8 | F309 L312 S317 L319 Q323 D324 M325 | F309-L321 HydrophobicContact CD1-CD2 4.4Å; F309-L321 HydrophobicContact CE1-CD1 3.31Å; F309-L321 HydrophobicContact CE1-CD2 3.21Å; F309-L321 HydrophobicContact CE1-CG 3.74Å; F309-L321 HydrophobicContact CZ-CD1 3.43Å; F309-L321 VanDerWaalsContact CZ-CD1 3.43Å; F309-L321 HydrophobicContact CZ-CD2 3.47Å; F309-L321 VanDerWaalsContact CZ-CD2 3.47Å; F309-L321 HydrophobicContact CZ-CG 3.8Å; L312-L321 HydrophobicContact CD1-CD1 4.35Å; S317-L321 PolarHBondContact O-N 2.93Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 2.93Å; L321-Q323 VanDerWaalsContact C-N 3.27Å; L321-D324 PolarHBondContact O-N 2.96Å; L321-M325 WeakPolarHBondContact O-CG 3.26Å; L321-M325 PolarHBondContact O-N 3.06Å |
| 322 | L | 75.9 | Confident | 69 | Low | 33 Ų | 33 | 80.3 Ų | 80.3 | 17% | 0.173 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 179.9 | -129.5 | 175.7 | 0 | 0 | 0 | 110.6 | L319 G320 L326 V361 V364 | L319-L322 PolarHBondContact O-N 3.13Å; L319-L322 VanDerWaalsContact O-N 3.08Å; G320-L322 VanDerWaalsContact C-N 3.33Å; G320-L322 PolarHBondContact O-N 2.94Å; L322-L326 WeakPolarHBondContact O-CB 3.34Å; L322-L326 PolarHBondContact O-N 2.84Å; L322-V361 HydrophobicContact CD1-CB 4.45Å; L322-V361 HydrophobicContact CD1-CG2 3.6Å; L322-V361 HydrophobicContact CG-CG2 3.97Å; L322-V364 HydrophobicContact CD2-CB 3.95Å; L322-V364 HydrophobicContact CD2-CG1 4.3Å; L322-V364 HydrophobicContact CD2-CG2 3.62Å |
| 323 | Q | 78.7 | Confident | 70.4 | Confident | 112 Ų | 112 | 80.3 Ų | 80.3 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 173.5 | -161.9 | 166.9 | 22.4 | 0 | 0 | 111.7 | L319 G320 L321 G327 | L319-Q323 PolarHBondContact O-N 3.32Å; G320-Q323 CarbonylContact O-C 3.59Å; G320-Q323 WeakPolarHBondContact O-CA 3.48Å; G320-Q323 VanDerWaalsContact O-CB 3.32Å; G320-Q323 WeakPolarHBondContact O-CB 3.36Å; G320-Q323 PolarHBondContact O-N 3.21Å; G320-Q323 VanDerWaalsContact O-N 3.1Å; L321-Q323 VanDerWaalsContact C-N 3.27Å; Q323-G327 PolarHBondContact O-N 2.83Å |
| 324 | D | 81.9 | Confident | 71.5 | Confident | 114 Ų | 114 | 77.9 Ų | 77.9 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.1 | -45 | 172.7 | -68.2 | -22.4 | 0 | 0 | 0 | 111.6 | G320 L321 L326 G327 Q328 | G320-D324 PolarHBondContact O-N 2.82Å; L321-D324 PolarHBondContact O-N 2.96Å; D324-L326 VanDerWaalsContact C-N 3.35Å; D324-L326 PolarHBondContact O-N 3.47Å; D324-G327 CarbonylContact O-C 3.58Å; D324-G327 WeakPolarHBondContact O-CA 3.45Å; D324-G327 PolarHBondContact O-N 3.43Å; D324-Q328 PolarHBondContact O-N 3.39Å |
| 325 | M | 76.1 | Confident | 72.8 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 26% | 0.256 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.7 | -75 | -175.4 | 65.4 | 0 | 0 | 111.9 | L321 G327 Q328 V329 V361 V364 | L321-M325 WeakPolarHBondContact O-CG 3.26Å; L321-M325 PolarHBondContact O-N 3.06Å; M325-G327 VanDerWaalsContact C-N 3.34Å; M325-Q328 PolarHBondContact O-N 2.88Å; M325-V329 WeakPolarHBondContact O-CG2 3.37Å; M325-V329 PolarHBondContact O-N 3.36Å; M325-V361 HydrophobicContact SD-CG1 4.38Å; M325-V364 HydrophobicContact CB-CG1 4.05Å |
| 326 | L | 79.8 | Confident | 73.1 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 51% | 0.508 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 174.5 | -175.1 | 64.5 | 0 | 0 | 0 | 111.2 | L322 D324 V329 K330 V364 | L322-L326 WeakPolarHBondContact O-CB 3.34Å; L322-L326 PolarHBondContact O-N 2.84Å; D324-L326 VanDerWaalsContact C-N 3.35Å; D324-L326 PolarHBondContact O-N 3.47Å; L326-V329 PolarHBondContact O-N 2.68Å; L326-K330 WeakPolarHBondContact O-CB 3.28Å; L326-K330 PolarHBondContact O-N 2.84Å; L326-V364 HydrophobicContact CB-CG1 4.49Å; L326-V364 HydrophobicContact CD1-CG2 4.41Å |
| 327 | G | 78.1 | Confident | 73 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q323 D324 M325 K330 A331 | Q323-G327 PolarHBondContact O-N 2.83Å; D324-G327 CarbonylContact O-C 3.58Å; D324-G327 WeakPolarHBondContact O-CA 3.45Å; D324-G327 PolarHBondContact O-N 3.43Å; M325-G327 VanDerWaalsContact C-N 3.34Å; G327-K330 PolarHBondContact O-N 3.39Å; G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 2.94Å |
| 328 | Q | 81.6 | Confident | 72.3 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -47.4 | 174.1 | -175.3 | 63 | 54.6 | 0 | 0 | 111.5 | D324 M325 K330 A331 D332 | D324-Q328 PolarHBondContact O-N 3.39Å; M325-Q328 PolarHBondContact O-N 2.88Å; Q328-K330 VanDerWaalsContact C-N 3.25Å; Q328-K330 PolarHBondContact O-N 3.22Å; Q328-A331 PolarHBondContact O-N 2.64Å; Q328-D332 PolarHBondContact NE2-OD1 3.39Å; Q328-D332 WeakPolarHBondContact O-CB 3.44Å; Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.98Å |
| 329 | V | 80.1 | Confident | 71.2 | Confident | 19 Ų | 19 | 74.7 Ų | 74.7 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | M325 L326 L333 V364 I367 V371 | M325-V329 WeakPolarHBondContact O-CG2 3.37Å; M325-V329 PolarHBondContact O-N 3.36Å; L326-V329 PolarHBondContact O-N 2.68Å; V329-L333 WeakPolarHBondContact O-CB 3.49Å; V329-L333 PolarHBondContact O-N 2.89Å; V329-V364 HydrophobicContact CG2-CG1 4.31Å; V329-I367 HydrophobicContact CG1-CG2 3.81Å; V329-V371 HydrophobicContact CG1-CG2 4.46Å |
| 330 | K | 74.2 | Confident | 69.6 | Low | 129 Ų | 129 | 75.1 Ų | 75.1 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68 | -46.2 | 173.6 | -177.7 | 174.3 | 178 | 179.4 | 0 | 111.5 | L326 G327 Q328 D332 L333 D334 | L326-K330 WeakPolarHBondContact O-CB 3.28Å; L326-K330 PolarHBondContact O-N 2.84Å; G327-K330 PolarHBondContact O-N 3.39Å; Q328-K330 VanDerWaalsContact C-N 3.25Å; Q328-K330 PolarHBondContact O-N 3.22Å; K330-D332 VanDerWaalsContact C-N 3.34Å; K330-D332 PolarHBondContact O-N 3.16Å; K330-L333 CarbonylContact O-C 3.6Å; K330-L333 WeakPolarHBondContact O-CB 3.28Å; K330-L333 PolarHBondContact O-N 3.42Å; K330-L333 VanDerWaalsContact O-N 3.15Å; K330-D334 WeakPolarHBondContact CE-OD2 3.33Å; K330-D334 WeakPolarHBondContact CG-OD2 3.48Å; K330-D334 WeakPolarHBondContact O-CB 3.42Å; K330-D334 PolarHBondContact O-N 3.39Å |
| 331 | A | 76.6 | Confident | 67.5 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 36% | 0.355 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G327 Q328 L333 D334 T335 | G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 2.94Å; Q328-A331 PolarHBondContact O-N 2.64Å; A331-L333 VanDerWaalsContact C-N 3.3Å; A331-L333 PolarHBondContact O-N 3.36Å; A331-D334 PolarHBondContact O-N 2.95Å; A331-T335 WeakPolarHBondContact O-CG2 3.46Å; A331-T335 PolarHBondContact O-N 2.84Å; A331-T335 PolarHBondContact O-OG1 2.85Å |
| 332 | D | 75.9 | Confident | 66.1 | Low | 39 Ų | 39 | 82.9 Ų | 82.9 | 21% | 0.209 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 174.5 | -68.8 | -16 | 0 | 0 | 0 | 111 | Q328 K330 T335 M336 V371 | Q328-D332 PolarHBondContact NE2-OD1 3.39Å; Q328-D332 WeakPolarHBondContact O-CB 3.44Å; Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.98Å; K330-D332 VanDerWaalsContact C-N 3.34Å; K330-D332 PolarHBondContact O-N 3.16Å; D332-T335 PolarHBondContact O-OG1 3.42Å; D332-M336 WeakPolarHBondContact O-CG 3.35Å; D332-M336 PolarHBondContact O-N 3.22Å; D332-V371 HydrophobicContact CB-CG1 3.74Å |
| 333 | L | 72 | Confident | 64 | Low | 97 Ų | 97 | 90.3 Ų | 90.3 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 175.2 | -172.4 | 67.2 | 0 | 0 | 0 | 112.8 | V329 K330 A331 T335 M336 S337 | V329-L333 WeakPolarHBondContact O-CB 3.49Å; V329-L333 PolarHBondContact O-N 2.89Å; K330-L333 CarbonylContact O-C 3.6Å; K330-L333 WeakPolarHBondContact O-CB 3.28Å; K330-L333 PolarHBondContact O-N 3.42Å; K330-L333 VanDerWaalsContact O-N 3.15Å; A331-L333 VanDerWaalsContact C-N 3.3Å; A331-L333 PolarHBondContact O-N 3.36Å; L333-T335 VanDerWaalsContact C-N 3.31Å; L333-T335 PolarHBondContact O-N 2.87Å; L333-M336 CarbonylContact O-C 3.56Å; L333-M336 WeakPolarHBondContact O-CA 3.34Å; L333-M336 WeakPolarHBondContact O-CB 3.38Å; L333-M336 PolarHBondContact O-N 3.15Å; L333-S337 PolarHBondContact O-N 2.95Å |
| 334 | D | 66.2 | Low | 62.2 | Low | 69 Ų | 69 | 89.9 Ų | 89.9 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -33 | 178.7 | -68 | -18.3 | 0 | 0 | 0 | 110.5 | K330 A331 M336 S337 S338 | K330-D334 WeakPolarHBondContact CE-OD2 3.33Å; K330-D334 WeakPolarHBondContact CG-OD2 3.48Å; K330-D334 WeakPolarHBondContact O-CB 3.42Å; K330-D334 PolarHBondContact O-N 3.39Å; A331-D334 PolarHBondContact O-N 2.95Å; D334-M336 PolarHBondContact O-N 3.46Å; D334-S337 WeakPolarHBondContact CA-OG 3.3Å; D334-S337 PolarHBondContact O-N 3.04Å; D334-S337 PolarHBondContact O-OG 3.48Å; D334-S338 WeakPolarHBondContact O-CB 3.48Å; D334-S338 PolarHBondContact O-N 2.87Å; D334-S338 PolarHBondContact O-OG 2.9Å |
| 335 | T | 72.8 | Confident | 59.7 | Low | 77 Ų | 77 | 91.3 Ų | 91.3 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -21.4 | 169.5 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | A331 D332 L333 R375 | A331-T335 WeakPolarHBondContact O-CG2 3.46Å; A331-T335 PolarHBondContact O-N 2.84Å; A331-T335 PolarHBondContact O-OG1 2.85Å; D332-T335 PolarHBondContact O-OG1 3.42Å; L333-T335 VanDerWaalsContact C-N 3.31Å; L333-T335 PolarHBondContact O-N 2.87Å; T335-R375 PolarHBondContact OG1-NH1 2.88Å |
| 336 | M | 58.3 | Low | 57.5 | Low | 76 Ų | 76 | 92.1 Ų | 92.1 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -87.1 | -33.4 | 171.8 | -63.5 | -70.5 | -57 | 0 | 0 | 111.7 | D332 L333 D334 R375 E378 | D332-M336 WeakPolarHBondContact O-CG 3.35Å; D332-M336 PolarHBondContact O-N 3.22Å; L333-M336 CarbonylContact O-C 3.56Å; L333-M336 WeakPolarHBondContact O-CA 3.34Å; L333-M336 WeakPolarHBondContact O-CB 3.38Å; L333-M336 PolarHBondContact O-N 3.15Å; D334-M336 PolarHBondContact O-N 3.46Å; M336-R375 HydrophobicContact SD-CG 4.42Å; M336-E378 HydrophobicContact CE-CB 4.35Å; M336-E378 HydrophobicContact CE-CG 4.17Å |
| 337 | S | 53.2 | Low | 55.6 | Low | 52 Ų | 52 | 92.4 Ų | 92.4 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80 | -16.4 | -179.8 | 77.9 | 0 | 0 | 0 | 0 | 113.6 | L333 D334 D339 T340 | L333-S337 PolarHBondContact O-N 2.95Å; D334-S337 WeakPolarHBondContact CA-OG 3.3Å; D334-S337 PolarHBondContact O-N 3.04Å; D334-S337 PolarHBondContact O-OG 3.48Å; S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.16Å; S337-T340 PolarHBondContact O-N 2.81Å; S337-T340 PolarHBondContact O-OG1 2.94Å |
| 338 | S | 49.5 | Very low | 53.6 | Low | 97 Ų | 97 | 98.8 Ų | 98.8 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -17.5 | -179.5 | -66.5 | 0 | 0 | 0 | 0 | 114.3 | D334 T340 | D334-S338 WeakPolarHBondContact O-CB 3.48Å; D334-S338 PolarHBondContact O-N 2.87Å; D334-S338 PolarHBondContact O-OG 2.9Å; S338-T340 VanDerWaalsContact C-N 3.29Å |
| 339 | D | 40.4 | Very low | 51.8 | Low | 160 Ų | 160 | 100.4 Ų | 100.4 | 86% | 0.856 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -0.8 | 172 | -117.1 | -7.3 | 0 | 0 | 0 | 113.2 | S337 | S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.16Å |
| 340 | T | 38.1 | Very low | 49.9 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 63% | 0.632 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -115.6 | 123.6 | 169.3 | 32.4 | 0 | 0 | 0 | 0 | 110 | S337 S338 | S337-T340 PolarHBondContact O-N 2.81Å; S337-T340 PolarHBondContact O-OG1 2.94Å; S338-T340 VanDerWaalsContact C-N 3.29Å |
| 341 | A | 29.2 | Very low | 48.3 | Very low | 94 Ų | 94 | 103.7 Ų | 103.7 | 78% | 0.777 | 64% | 0.637 | S | S | * | * | trans | -55.9 | 148.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E343 | A341-E343 PolarHBondContact O-N 3.41Š| ||
| 342 | P | 49.5 | Very low | 46.4 | Very low | 127 Ų | 127 | 104.7 Ų | 104.7 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | trans | -81.4 | 115.2 | -164.9 | 31.5 | -35.1 | 0 | 0 | 0 | 112.9 | ||||
| 343 | E | 31 | Very low | 45.1 | Very low | 189 Ų | 189 | 114 Ų | 114 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | trans | -92.4 | 115.4 | 159.1 | -82.8 | -79.7 | 128.4 | 0 | 0 | 108.8 | A341 | A341-E343 PolarHBondContact O-N 3.41Š| ||
| 344 | S | 42.3 | Very low | 43.8 | Very low | 104 Ų | 104 | 117.8 Ų | 117.8 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -74.7 | 131.7 | 179.4 | 129.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 345 | T | 29.4 | Very low | 43.2 | Very low | 143 Ų | 143 | 118.3 Ų | 118.3 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | trans | -164.3 | 143.7 | 136.8 | 3.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 346 | G | 29.1 | Very low | 42.3 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 83.8 | 102.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | L348 | G346-L348 PolarHBondContact O-N 3.34Š| ||
| 347 | S | 41.2 | Very low | 42.8 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | -46.5 | 133.6 | 150.3 | 173 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 348 | L | 34.8 | Very low | 43.3 | Very low | 170 Ų | 170 | 122.2 Ų | 122.2 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -129.2 | 89.8 | 163.8 | -137.2 | 83 | 0 | 0 | 0 | 109.8 | G346 | G346-L348 PolarHBondContact O-N 3.34Š| ||
| 349 | E | 43.1 | Very low | 44.6 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | -54.2 | 124 | 166 | -84.6 | -72.8 | 132.4 | 0 | 0 | 111.3 | S351 | E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 3.06Å | ||
| 350 | P | 42 | Very low | 46.5 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | trans | -79.8 | 80.1 | 170.2 | 32.6 | -32 | 0 | 0 | 0 | 110 | ||||
| 351 | S | 39.3 | Very low | 48.3 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | -64.1 | 136.3 | 170.7 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | E349 | E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 3.06Å | ||
| 352 | G | 37 | Very low | 50.6 | Low | 64 Ų | 64 | 114.3 Ų | 114.3 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | trans | 130.9 | 84.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q354 | G352-Q354 PolarHBondContact O-N 3.37Å; G352-Q354 VanDerWaalsContact O-N 3.1Å | ||
| 353 | R | 49 | Very low | 52.4 | Low | 236 Ų | 236 | 112.2 Ų | 112.2 | 89% | 0.891 | 67% | 0.672 | S | S | * | * | trans | -76.8 | 82.3 | 165.8 | -72.4 | 178.4 | 167.8 | -129.2 | 0.2 | 111.2 | ||||
| 354 | Q | 43.8 | Very low | 55 | Low | 175 Ų | 175 | 104.1 Ų | 104.1 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -145.7 | 144.4 | 164.7 | -138.8 | 82.9 | 34.8 | 0 | 0 | 109.9 | G352 L356 | G352-Q354 PolarHBondContact O-N 3.37Å; G352-Q354 VanDerWaalsContact O-N 3.1Å; Q354-L356 PolarHBondContact O-N 3.03Å |
| 355 | G | 53.7 | Low | 56.7 | Low | 81 Ų | 81 | 101 Ų | 101 | 84% | 0.835 | 61% | 0.614 | S | S | * | * | trans | -58.9 | 130.4 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 356 | L | 55.3 | Low | 59.4 | Low | 134 Ų | 134 | 96.8 Ų | 96.8 | 70% | 0.702 | 59% | 0.588 | S | S | * | * | trans | -120.1 | 151.5 | -177 | -75.3 | 167.1 | 0 | 0 | 0 | 112.3 | Q354 | Q354-L356 PolarHBondContact O-N 3.03Š| ||
| 357 | T | 67.9 | Low | 62.3 | Low | 96 Ų | 96 | 97 Ų | 97 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | trans | -95.9 | 161.7 | -162.5 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | F359 S360 | T357-F359 PolarHBondContact O-N 2.96Å; T357-S360 PolarHBondContact O-N 3.46Å; T357-S360 PolarHBondContact O-OG 2.92Å | ||
| 358 | G | 63.9 | Low | 64.4 | Low | 57 Ų | 57 | 92.8 Ų | 92.8 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.6 | -15.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S360 V361 A362 | G358-S360 VanDerWaalsContact C-N 3.32Å; G358-S360 PolarHBondContact O-N 3.41Å; G358-V361 PolarHBondContact O-N 2.87Å; G358-A362 PolarHBondContact O-N 2.88Å |
| 359 | F | 75.5 | Confident | 66.9 | Low | 151 Ų | 151 | 90.8 Ų | 90.8 | 66% | 0.662 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.1 | -39.9 | 171.8 | 179 | -99.3 | 0 | 0 | 0 | 112.2 | T357 V361 A362 L363 | T357-F359 PolarHBondContact O-N 2.96Å; F359-V361 PolarHBondContact O-N 3.35Å; F359-A362 PolarHBondContact O-N 2.97Å; F359-L363 PolarHBondContact O-N 3.15Å |
| 360 | S | 81.8 | Confident | 69.3 | Low | 33 Ų | 33 | 88.8 Ų | 88.8 | 23% | 0.231 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 179 | -42.9 | 0 | 0 | 0 | 0 | 111.7 | T357 G358 L363 V364 | T357-S360 PolarHBondContact O-N 3.46Å; T357-S360 PolarHBondContact O-OG 2.92Å; G358-S360 VanDerWaalsContact C-N 3.32Å; G358-S360 PolarHBondContact O-N 3.41Å; S360-L363 PolarHBondContact O-N 3.07Å; S360-V364 PolarHBondContact O-N 2.85Å; S360-V364 VanDerWaalsContact O-N 3.1Å |
| 361 | V | 75.7 | Confident | 71.7 | Confident | 50 Ų | 50 | 84.8 Ų | 84.8 | 30% | 0.303 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | L322 M325 G358 F359 L363 V364 S365 | L322-V361 HydrophobicContact CD1-CB 4.45Å; L322-V361 HydrophobicContact CD1-CG2 3.6Å; L322-V361 HydrophobicContact CG-CG2 3.97Å; M325-V361 HydrophobicContact SD-CG1 4.38Å; G358-V361 PolarHBondContact O-N 2.87Å; F359-V361 PolarHBondContact O-N 3.35Å; V361-L363 VanDerWaalsContact C-N 3.34Å; V361-L363 PolarHBondContact O-N 3.38Å; V361-V364 PolarHBondContact O-N 3.2Å; V361-S365 VanDerWaalsContact O-CB 3.24Å; V361-S365 WeakPolarHBondContact O-CB 3.49Å; V361-S365 PolarHBondContact O-N 3.08Å |
| 362 | A | 76.7 | Confident | 74 | Confident | 53 Ų | 53 | 85.8 Ų | 85.8 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G358 F359 S365 T366 | G358-A362 PolarHBondContact O-N 2.88Å; F359-A362 PolarHBondContact O-N 2.97Å; A362-S365 WeakPolarHBondContact O-CB 3.42Å; A362-S365 PolarHBondContact O-N 2.93Å; A362-T366 WeakPolarHBondContact O-CG2 3.34Å; A362-T366 PolarHBondContact O-N 2.93Å; A362-T366 PolarHBondContact O-OG1 2.83Å |
| 363 | L | 86.8 | Confident | 76.7 | Confident | 84 Ų | 84 | 88.2 Ų | 88.2 | 44% | 0.44 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -52.2 | 176.9 | -177.2 | 62.6 | 0 | 0 | 0 | 111.6 | F359 S360 V361 S365 T366 I367 | F359-L363 PolarHBondContact O-N 3.15Å; S360-L363 PolarHBondContact O-N 3.07Å; V361-L363 VanDerWaalsContact C-N 3.34Å; V361-L363 PolarHBondContact O-N 3.38Å; L363-S365 PolarHBondContact O-N 3.48Å; L363-T366 WeakPolarHBondContact CA-OG1 3.45Å; L363-T366 PolarHBondContact O-N 3.32Å; L363-T366 PolarHBondContact O-OG1 3.26Å; L363-I367 HydrophobicContact CD1-CD1 4.22Å; L363-I367 HydrophobicContact CD1-CG1 4.49Å; L363-I367 HydrophobicContact CG-CD1 4Å; L363-I367 WeakPolarHBondContact O-CG1 3.4Å; L363-I367 PolarHBondContact O-N 2.87Å |
| 364 | V | 85.5 | Confident | 78.8 | Confident | 19 Ų | 19 | 82.1 Ų | 82.1 | 12% | 0.115 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -59 | -39 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111 | L322 M325 L326 V329 S360 V361 T366 I367 G368 | L322-V364 HydrophobicContact CD2-CB 3.95Å; L322-V364 HydrophobicContact CD2-CG1 4.3Å; L322-V364 HydrophobicContact CD2-CG2 3.62Å; M325-V364 HydrophobicContact CB-CG1 4.05Å; L326-V364 HydrophobicContact CB-CG1 4.49Å; L326-V364 HydrophobicContact CD1-CG2 4.41Å; V329-V364 HydrophobicContact CG2-CG1 4.31Å; S360-V364 PolarHBondContact O-N 2.85Å; S360-V364 VanDerWaalsContact O-N 3.1Å; V361-V364 PolarHBondContact O-N 3.2Å; V364-T366 PolarHBondContact O-N 2.93Å; V364-I367 PolarHBondContact O-N 3.45Å; V364-G368 PolarHBondContact O-N 3.3Å |
| 365 | S | 79.1 | Confident | 81.1 | Confident | 37 Ų | 37 | 79.2 Ų | 79.2 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 173.6 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | V361 A362 L363 R369 | V361-S365 VanDerWaalsContact O-CB 3.24Å; V361-S365 WeakPolarHBondContact O-CB 3.49Å; V361-S365 PolarHBondContact O-N 3.08Å; A362-S365 WeakPolarHBondContact O-CB 3.42Å; A362-S365 PolarHBondContact O-N 2.93Å; L363-S365 PolarHBondContact O-N 3.48Å; S365-R369 PolarHBondContact O-N 2.86Å; S365-R369 VanDerWaalsContact O-N 3.14Å; S365-R369 PolarHBondContact O-NH1 3.44Å; S365-R369 PolarHBondContact OG-NH1 3Å |
| 366 | T | 85.9 | Confident | 83 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 34% | 0.344 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 173.4 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | A362 L363 V364 R369 L370 | A362-T366 WeakPolarHBondContact O-CG2 3.34Å; A362-T366 PolarHBondContact O-N 2.93Å; A362-T366 PolarHBondContact O-OG1 2.83Å; L363-T366 WeakPolarHBondContact CA-OG1 3.45Å; L363-T366 PolarHBondContact O-N 3.32Å; L363-T366 PolarHBondContact O-OG1 3.26Å; V364-T366 PolarHBondContact O-N 2.93Å; T366-R369 VanDerWaalsContact CG2-NH2 3.27Å; T366-R369 PolarHBondContact O-N 3.42Å; T366-L370 WeakPolarHBondContact O-CG 3.45Å; T366-L370 PolarHBondContact O-N 2.9Å |
| 367 | I | 89.3 | Confident | 85 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 38% | 0.379 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 178.5 | -64.5 | 167.3 | 0 | 0 | 0 | 109.8 | V329 L363 V364 R369 L370 V371 | V329-I367 HydrophobicContact CG1-CG2 3.81Å; L363-I367 HydrophobicContact CD1-CD1 4.22Å; L363-I367 HydrophobicContact CD1-CG1 4.49Å; L363-I367 HydrophobicContact CG-CD1 4Å; L363-I367 WeakPolarHBondContact O-CG1 3.4Å; L363-I367 PolarHBondContact O-N 2.87Å; V364-I367 PolarHBondContact O-N 3.45Å; I367-R369 PolarHBondContact O-N 2.84Å; I367-L370 WeakPolarHBondContact O-CB 3.46Å; I367-L370 PolarHBondContact O-N 3.32Å; I367-L370 VanDerWaalsContact O-N 3.09Å; I367-V371 HydrophobicContact CG2-CG2 4.4Å; I367-V371 WeakPolarHBondContact O-CG2 3.4Å; I367-V371 PolarHBondContact O-N 3.15Å |
| 368 | G | 86 | Confident | 86.2 | Confident | 14 Ų | 14 | 83.4 Ų | 83.4 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V364 L370 V371 Q372 | V364-G368 PolarHBondContact O-N 3.3Å; G368-L370 VanDerWaalsContact C-N 3.34Å; G368-L370 PolarHBondContact O-N 3.02Å; G368-V371 PolarHBondContact O-N 3.46Å; G368-Q372 WeakPolarHBondContact O-CB 3.49Å; G368-Q372 PolarHBondContact O-N 2.94Å |
| 369 | R | 87.1 | Confident | 87.7 | Confident | 127 Ų | 127 | 82.7 Ų | 82.7 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 172.8 | -76.7 | -169 | -66.9 | -80.3 | 1 | 112.7 | S365 T366 I367 Q372 L373 | S365-R369 PolarHBondContact O-N 2.86Å; S365-R369 VanDerWaalsContact O-N 3.14Å; S365-R369 PolarHBondContact O-NH1 3.44Å; S365-R369 PolarHBondContact OG-NH1 3Å; T366-R369 VanDerWaalsContact CG2-NH2 3.27Å; T366-R369 PolarHBondContact O-N 3.42Å; I367-R369 PolarHBondContact O-N 2.84Å; R369-Q372 PolarHBondContact O-N 3.18Å; R369-L373 WeakPolarHBondContact O-CB 3.46Å; R369-L373 VanDerWaalsContact O-CG 3.29Å; R369-L373 WeakPolarHBondContact O-CG 3.36Å; R369-L373 PolarHBondContact O-N 3.4Å |
| 370 | L | 93.8 | Very high | 88.7 | Confident | 107 Ų | 107 | 80.4 Ų | 80.4 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.4 | -44.9 | 177 | -71.6 | 170.2 | 0 | 0 | 0 | 111.7 | T366 I367 G368 Q372 L373 L374 | T366-L370 WeakPolarHBondContact O-CG 3.45Å; T366-L370 PolarHBondContact O-N 2.9Å; I367-L370 WeakPolarHBondContact O-CB 3.46Å; I367-L370 PolarHBondContact O-N 3.32Å; I367-L370 VanDerWaalsContact O-N 3.09Å; G368-L370 VanDerWaalsContact C-N 3.34Å; G368-L370 PolarHBondContact O-N 3.02Å; L370-Q372 VanDerWaalsContact C-N 3.33Å; L370-Q372 PolarHBondContact O-N 2.82Å; L370-L373 PolarHBondContact O-N 3.28Å; L370-L374 WeakPolarHBondContact O-CB 3.4Å; L370-L374 VanDerWaalsContact O-CG 3.3Å; L370-L374 WeakPolarHBondContact O-CG 3.28Å; L370-L374 PolarHBondContact O-N 3.13Å |
| 371 | V | 91.4 | Very high | 89.4 | Confident | 19 Ų | 19 | 80.9 Ų | 80.9 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V329 D332 I367 G368 L374 R375 | V329-V371 HydrophobicContact CG1-CG2 4.46Å; D332-V371 HydrophobicContact CB-CG1 3.74Å; I367-V371 HydrophobicContact CG2-CG2 4.4Å; I367-V371 WeakPolarHBondContact O-CG2 3.4Å; I367-V371 PolarHBondContact O-N 3.15Å; G368-V371 PolarHBondContact O-N 3.46Å; V371-L374 PolarHBondContact O-N 3.21Å; V371-R375 WeakPolarHBondContact O-CB 3.1Å; V371-R375 PolarHBondContact O-N 2.62Å |
| 372 | Q | 88.8 | Confident | 90.4 | Very high | 135 Ų | 135 | 83.5 Ų | 83.5 | 63% | 0.631 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | 177.3 | -164.6 | 179.4 | 28.5 | 0 | 0 | 112.8 | G368 R369 L370 R375 K376 | G368-Q372 WeakPolarHBondContact O-CB 3.49Å; G368-Q372 PolarHBondContact O-N 2.94Å; R369-Q372 PolarHBondContact O-N 3.18Å; L370-Q372 VanDerWaalsContact C-N 3.33Å; L370-Q372 PolarHBondContact O-N 2.82Å; Q372-R375 PolarHBondContact O-N 3.1Å; Q372-K376 WeakPolarHBondContact O-CB 3.4Å; Q372-K376 PolarHBondContact O-N 2.98Å |
| 373 | L | 93.3 | Very high | 91.3 | Very high | 115 Ų | 115 | 87.1 Ų | 87.1 | 60% | 0.602 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.9 | -38.9 | 173.8 | -73.6 | 171.8 | 0 | 0 | 0 | 112.2 | R369 L370 K376 R377 | R369-L373 WeakPolarHBondContact O-CB 3.46Å; R369-L373 VanDerWaalsContact O-CG 3.29Å; R369-L373 WeakPolarHBondContact O-CG 3.36Å; R369-L373 PolarHBondContact O-N 3.4Å; L370-L373 PolarHBondContact O-N 3.28Å; L373-K376 PolarHBondContact O-N 3.04Å; L373-R377 WeakPolarHBondContact O-CB 3.18Å; L373-R377 PolarHBondContact O-N 2.78Å |
| 374 | L | 94.1 | Very high | 91.8 | Very high | 107 Ų | 107 | 87.6 Ų | 87.6 | 56% | 0.56 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.1 | -46.7 | 173.6 | -71.2 | 171.2 | 0 | 0 | 0 | 111.1 | L370 V371 K376 R377 E378 | L370-L374 WeakPolarHBondContact O-CB 3.4Å; L370-L374 VanDerWaalsContact O-CG 3.3Å; L370-L374 WeakPolarHBondContact O-CG 3.28Å; L370-L374 PolarHBondContact O-N 3.13Å; V371-L374 PolarHBondContact O-N 3.21Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.32Å; L374-R377 PolarHBondContact O-N 3.41Å; L374-E378 WeakPolarHBondContact O-CB 3.34Å; L374-E378 PolarHBondContact O-N 3.26Å |
| 375 | R | 90.6 | Very high | 92.4 | Very high | 115 Ų | 115 | 89.3 Ų | 89.3 | 43% | 0.434 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 175.4 | -169.1 | -170.3 | -171.2 | 103 | 8.6 | 112.1 | T335 M336 V371 Q372 E378 A379 | T335-R375 PolarHBondContact OG1-NH1 2.88Å; M336-R375 HydrophobicContact SD-CG 4.42Å; V371-R375 WeakPolarHBondContact O-CB 3.1Å; V371-R375 PolarHBondContact O-N 2.62Å; Q372-R375 PolarHBondContact O-N 3.1Å; R375-E378 PolarHBondContact O-N 2.92Å; R375-A379 WeakPolarHBondContact O-CB 3.24Å; R375-A379 PolarHBondContact O-N 3.43Å |
| 376 | K | 95.3 | Very high | 93.3 | Very high | 126 Ų | 126 | 92.5 Ų | 92.5 | 55% | 0.548 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 175.6 | 179.1 | 177.6 | 169.9 | 179.9 | 0 | 111.1 | Q372 L373 L374 E378 A379 E380 | Q372-K376 WeakPolarHBondContact O-CB 3.4Å; Q372-K376 PolarHBondContact O-N 2.98Å; L373-K376 PolarHBondContact O-N 3.04Å; L374-K376 VanDerWaalsContact C-N 3.32Å; L374-K376 PolarHBondContact O-N 3.32Å; K376-E378 VanDerWaalsContact C-N 3.33Å; K376-E378 PolarHBondContact O-N 3.08Å; K376-A379 PolarHBondContact O-N 2.93Å; K376-E380 WeakPolarHBondContact CE-OE1 3.35Å; K376-E380 IonicContact NZ-OE1 3.59Å; K376-E380 WeakPolarHBondContact O-CG 3.38Å; K376-E380 PolarHBondContact O-N 3.34Å |
| 377 | R | 95.9 | Very high | 93.9 | Very high | 185 Ų | 185 | 96 Ų | 96 | 70% | 0.698 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 178.2 | -172.8 | -172.1 | 178.7 | -153.3 | -2.3 | 112.1 | L373 L374 E380 A381 | L373-R377 WeakPolarHBondContact O-CB 3.18Å; L373-R377 PolarHBondContact O-N 2.78Å; L374-R377 PolarHBondContact O-N 3.41Å; R377-E380 PolarHBondContact O-N 3.01Å; R377-A381 WeakPolarHBondContact O-CB 3.49Å; R377-A381 PolarHBondContact O-N 3.09Å |
| 378 | E | 94.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 177.5 | -169.2 | 58.2 | -141.8 | 0 | 0 | 111.1 | M336 L374 R375 K376 E380 A381 Q382 | M336-E378 HydrophobicContact CE-CB 4.35Å; M336-E378 HydrophobicContact CE-CG 4.17Å; L374-E378 WeakPolarHBondContact O-CB 3.34Å; L374-E378 PolarHBondContact O-N 3.26Å; R375-E378 PolarHBondContact O-N 2.92Å; K376-E378 VanDerWaalsContact C-N 3.33Å; K376-E378 PolarHBondContact O-N 3.08Å; E378-E380 VanDerWaalsContact C-N 3.27Å; E378-E380 PolarHBondContact O-N 3.39Å; E378-A381 PolarHBondContact O-N 3.17Å; E378-A381 VanDerWaalsContact O-N 3.15Å; E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 3.16Å |
| 379 | A | 94.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 105.1 Ų | 105.1 | 35% | 0.347 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R375 K376 K383 | R375-A379 WeakPolarHBondContact O-CB 3.24Å; R375-A379 PolarHBondContact O-N 3.43Å; K376-A379 PolarHBondContact O-N 2.93Å; A379-K383 VanDerWaalsContact O-CG 3.32Å; A379-K383 WeakPolarHBondContact O-CG 3.27Å; A379-K383 PolarHBondContact O-N 2.83Å |
| 380 | E | 96.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 106.5 Ų | 106.5 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.2 | -43.5 | 171 | -73.9 | 168.5 | 178.1 | 0 | 0 | 111.3 | K376 R377 E378 Q382 K383 E384 | K376-E380 WeakPolarHBondContact CE-OE1 3.35Å; K376-E380 IonicContact NZ-OE1 3.59Å; K376-E380 WeakPolarHBondContact O-CG 3.38Å; K376-E380 PolarHBondContact O-N 3.34Å; R377-E380 PolarHBondContact O-N 3.01Å; E378-E380 VanDerWaalsContact C-N 3.27Å; E378-E380 PolarHBondContact O-N 3.39Å; E380-Q382 PolarHBondContact O-N 3.26Å; E380-K383 PolarHBondContact O-N 2.89Å; E380-E384 PolarHBondContact O-N 2.85Å |
| 381 | A | 96.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 106 Ų | 106 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R377 E378 E384 A385 | R377-A381 WeakPolarHBondContact O-CB 3.49Å; R377-A381 PolarHBondContact O-N 3.09Å; E378-A381 PolarHBondContact O-N 3.17Å; E378-A381 VanDerWaalsContact O-N 3.15Å; A381-E384 PolarHBondContact O-N 3.4Å; A381-A385 WeakPolarHBondContact O-CB 3.25Å; A381-A385 PolarHBondContact O-N 2.88Å |
| 382 | Q | 96.3 | Very high | 95.9 | Very high | 104 Ų | 104 | 110.5 Ų | 110.5 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 174 | -73.4 | 175.9 | -0.4 | 0 | 0 | 111.3 | E378 E380 E384 A385 E386 | E378-Q382 WeakPolarHBondContact O-CG 3.36Å; E378-Q382 PolarHBondContact O-N 3.16Å; E380-Q382 PolarHBondContact O-N 3.26Å; Q382-E384 PolarHBondContact O-N 2.87Å; Q382-A385 WeakPolarHBondContact O-CB 3.5Å; Q382-A385 PolarHBondContact O-N 3.36Å; Q382-A385 VanDerWaalsContact O-N 3.17Å; Q382-E386 WeakPolarHBondContact O-CG 3.48Å; Q382-E386 PolarHBondContact O-N 3.07Å |
| 383 | K | 96.8 | Very high | 96.4 | Very high | 130 Ų | 130 | 108.3 Ų | 108.3 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 175.2 | -71.4 | 172 | -176.8 | -178.7 | 0 | 112.2 | A379 E380 A385 E386 E387 | A379-K383 VanDerWaalsContact O-CG 3.32Å; A379-K383 WeakPolarHBondContact O-CG 3.27Å; A379-K383 PolarHBondContact O-N 2.83Å; E380-K383 PolarHBondContact O-N 2.89Å; K383-A385 VanDerWaalsContact C-N 3.27Å; K383-A385 PolarHBondContact O-N 2.98Å; K383-E386 PolarHBondContact O-N 3.35Å; K383-E387 WeakPolarHBondContact O-CG 3.42Å; K383-E387 PolarHBondContact O-N 3.36Å |
| 384 | E | 97.4 | Very high | 96.6 | Very high | 93 Ų | 93 | 105.7 Ų | 105.7 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 175.1 | -170.5 | -175.1 | -176.1 | 0 | 0 | 111.5 | E380 A381 Q382 R388 | E380-E384 PolarHBondContact O-N 2.85Å; A381-E384 PolarHBondContact O-N 3.4Å; Q382-E384 PolarHBondContact O-N 2.87Å; E384-R388 VanDerWaalsContact O-CB 3.32Å; E384-R388 WeakPolarHBondContact O-CB 3.47Å; E384-R388 WeakPolarHBondContact O-CG 3.47Å; E384-R388 PolarHBondContact O-N 3.31Å; E384-R388 IonicContact OE1-CZ 3.46Å; E384-R388 IonicContact OE1-NE 2.77Å; E384-R388 PolarHBondContact OE1-NE 3.46Å; E384-R388 IonicContact OE1-NH2 3.91Å; E384-R388 PolarHBondContact OE1-NH2 3.03Å; E384-R388 IonicContact OE2-NH2 3.8Å |
| 385 | A | 97.6 | Very high | 96.8 | Very high | 55 Ų | 55 | 105.9 Ų | 105.9 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A381 Q382 K383 R389 | A381-A385 WeakPolarHBondContact O-CB 3.25Å; A381-A385 PolarHBondContact O-N 2.88Å; Q382-A385 WeakPolarHBondContact O-CB 3.5Å; Q382-A385 PolarHBondContact O-N 3.36Å; Q382-A385 VanDerWaalsContact O-N 3.17Å; K383-A385 VanDerWaalsContact C-N 3.27Å; K383-A385 PolarHBondContact O-N 2.98Å; A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 2.98Å |
| 386 | E | 97.6 | Very high | 97.2 | Very high | 104 Ų | 104 | 106.1 Ų | 106.1 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 173.8 | -67.4 | -170.5 | 137.8 | 0 | 0 | 112.4 | Q382 K383 R389 R390 | Q382-E386 WeakPolarHBondContact O-CG 3.48Å; Q382-E386 PolarHBondContact O-N 3.07Å; K383-E386 PolarHBondContact O-N 3.35Å; E386-R389 WeakPolarHBondContact O-CB 3.48Å; E386-R389 PolarHBondContact O-N 2.92Å; E386-R389 IonicContact OE1-NH2 2.61Å; E386-R390 PolarHBondContact O-N 3.35Å |
| 387 | E | 97.8 | Very high | 97.3 | Very high | 130 Ų | 130 | 106.9 Ų | 106.9 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 174.1 | -72.7 | 179.8 | -179.9 | 0 | 0 | 111.3 | K383 R389 R390 L391 | K383-E387 WeakPolarHBondContact O-CG 3.42Å; K383-E387 PolarHBondContact O-N 3.36Å; E387-R389 PolarHBondContact O-N 2.91Å; E387-R390 PolarHBondContact O-N 3.13Å; E387-L391 WeakPolarHBondContact O-CG 3.43Å; E387-L391 PolarHBondContact O-N 3.25Å |
| 388 | R | 97.8 | Very high | 97.4 | Very high | 153 Ų | 153 | 103.3 Ų | 103.3 | 58% | 0.577 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 173.4 | -76.1 | 170 | 177.3 | -176.9 | -0 | 112.3 | E384 Q392 | E384-R388 VanDerWaalsContact O-CB 3.32Å; E384-R388 WeakPolarHBondContact O-CB 3.47Å; E384-R388 WeakPolarHBondContact O-CG 3.47Å; E384-R388 PolarHBondContact O-N 3.31Å; E384-R388 IonicContact OE1-CZ 3.46Å; E384-R388 IonicContact OE1-NE 2.77Å; E384-R388 PolarHBondContact OE1-NE 3.46Å; E384-R388 IonicContact OE1-NH2 3.91Å; E384-R388 PolarHBondContact OE1-NH2 3.03Å; E384-R388 IonicContact OE2-NH2 3.8Å; R388-Q392 WeakPolarHBondContact O-CB 3.49Å; R388-Q392 PolarHBondContact O-N 2.71Å |
| 389 | R | 98 | Very high | 97.6 | Very high | 126 Ų | 126 | 106.5 Ų | 106.5 | 48% | 0.475 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 175.1 | -178 | -176.5 | 68.1 | -127.4 | -4 | 110.7 | A385 E386 E387 Q392 E393 | A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 PolarHBondContact O-N 2.98Å; E386-R389 WeakPolarHBondContact O-CB 3.48Å; E386-R389 PolarHBondContact O-N 2.92Å; E386-R389 IonicContact OE1-NH2 2.61Å; E387-R389 PolarHBondContact O-N 2.91Å; R389-Q392 WeakPolarHBondContact O-CB 3.4Å; R389-Q392 PolarHBondContact O-N 3.37Å; R389-E393 WeakPolarHBondContact CG-OE1 3.41Å; R389-E393 WeakPolarHBondContact O-CG 3.41Å; R389-E393 PolarHBondContact O-N 2.9Å |
| 390 | R | 98.4 | Very high | 97.8 | Very high | 157 Ų | 157 | 106.3 Ų | 106.3 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.9 | -49.3 | 177 | -179.7 | -171.3 | 157.8 | -163.9 | -10.7 | 111.7 | E386 E387 Q392 E393 E394 | E386-R390 PolarHBondContact O-N 3.35Å; E387-R390 PolarHBondContact O-N 3.13Å; R390-Q392 VanDerWaalsContact C-N 3.25Å; R390-Q392 PolarHBondContact O-N 2.8Å; R390-E393 WeakPolarHBondContact O-CA 3.42Å; R390-E393 WeakPolarHBondContact O-CB 3.41Å; R390-E393 PolarHBondContact O-N 2.71Å; R390-E394 IonicContact CZ-OE1 3.41Å; R390-E394 IonicContact NE-OE1 3.56Å; R390-E394 PolarHBondContact NE-OE1 3.01Å; R390-E394 IonicContact NH2-OE1 2.69Å; R390-E394 PolarHBondContact NH2-OE1 2.89Å; R390-E394 PolarHBondContact O-N 3.3Å |
| 391 | L | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 106.6 Ų | 106.6 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 177.1 | -70.2 | 171.7 | 0 | 0 | 0 | 111.8 | E387 E393 E394 L395 | E387-L391 WeakPolarHBondContact O-CG 3.43Å; E387-L391 PolarHBondContact O-N 3.25Å; L391-E393 VanDerWaalsContact C-N 3.34Å; L391-E394 PolarHBondContact O-N 3.49Å; L391-L395 WeakPolarHBondContact O-CB 3.24Å; L391-L395 VanDerWaalsContact O-CG 3.27Å; L391-L395 WeakPolarHBondContact O-CG 3.34Å; L391-L395 PolarHBondContact O-N 3.06Å |
| 392 | Q | 98.3 | Very high | 98 | Very high | 112 Ų | 112 | 109.4 Ų | 109.4 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -32.2 | 174.1 | -165 | -171.6 | 18.8 | 0 | 0 | 112.5 | R388 R389 R390 K396 | R388-Q392 WeakPolarHBondContact O-CB 3.49Å; R388-Q392 PolarHBondContact O-N 2.71Å; R389-Q392 WeakPolarHBondContact O-CB 3.4Å; R389-Q392 PolarHBondContact O-N 3.37Å; R390-Q392 VanDerWaalsContact C-N 3.25Å; R390-Q392 PolarHBondContact O-N 2.8Å; Q392-K396 WeakPolarHBondContact O-CD 3.08Å; Q392-K396 VanDerWaalsContact O-CG 3.25Å; Q392-K396 WeakPolarHBondContact O-CG 3.1Å; Q392-K396 PolarHBondContact O-N 3.24Å; Q392-K396 VanDerWaalsContact O-N 3.13Å |
| 393 | E | 98.1 | Very high | 98.1 | Very high | 89 Ų | 89 | 109 Ų | 109 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -48.8 | 172.4 | -72.7 | 160.7 | -174 | 0 | 0 | 110.8 | R389 R390 L391 L395 K396 E397 | R389-E393 WeakPolarHBondContact CG-OE1 3.41Å; R389-E393 WeakPolarHBondContact O-CG 3.41Å; R389-E393 PolarHBondContact O-N 2.9Å; R390-E393 WeakPolarHBondContact O-CA 3.42Å; R390-E393 WeakPolarHBondContact O-CB 3.41Å; R390-E393 PolarHBondContact O-N 2.71Å; L391-E393 VanDerWaalsContact C-N 3.34Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.22Å; E393-K396 WeakPolarHBondContact O-CA 3.21Å; E393-K396 WeakPolarHBondContact O-CB 3.43Å; E393-K396 PolarHBondContact O-N 3.5Å; E393-E397 PolarHBondContact O-N 2.92Å |
| 394 | E | 98.4 | Very high | 98.2 | Very high | 61 Ų | 61 | 105.4 Ų | 105.4 | 29% | 0.285 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 174.4 | -68.4 | 175.9 | -173.2 | 0 | 0 | 112 | R390 L391 E397 Q398 | R390-E394 IonicContact CZ-OE1 3.41Å; R390-E394 IonicContact NE-OE1 3.56Å; R390-E394 PolarHBondContact NE-OE1 3.01Å; R390-E394 IonicContact NH2-OE1 2.69Å; R390-E394 PolarHBondContact NH2-OE1 2.89Å; R390-E394 PolarHBondContact O-N 3.3Å; L391-E394 PolarHBondContact O-N 3.49Å; E394-E397 PolarHBondContact O-N 3.42Å; E394-Q398 WeakPolarHBondContact O-CG 3.37Å; E394-Q398 PolarHBondContact O-N 3.12Å |
| 395 | L | 98.6 | Very high | 98.3 | Very high | 110 Ų | 110 | 105.1 Ų | 105.1 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.8 | -31 | 173.8 | -74 | 173.4 | 0 | 0 | 0 | 113.7 | L391 E393 R399 | L391-L395 WeakPolarHBondContact O-CB 3.24Å; L391-L395 VanDerWaalsContact O-CG 3.27Å; L391-L395 WeakPolarHBondContact O-CG 3.34Å; L391-L395 PolarHBondContact O-N 3.06Å; E393-L395 VanDerWaalsContact C-N 3.29Å; E393-L395 PolarHBondContact O-N 3.22Å; L395-R399 WeakPolarHBondContact O-CB 3.34Å; L395-R399 PolarHBondContact O-N 2.79Å; L395-R399 VanDerWaalsContact O-N 3.08Å |
| 396 | K | 98.3 | Very high | 98.3 | Very high | 120 Ų | 120 | 106.5 Ų | 106.5 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -40 | 172.9 | -73.1 | 162.4 | -174.7 | 164.8 | 0 | 110.8 | Q392 E393 R399 G400 | Q392-K396 WeakPolarHBondContact O-CD 3.08Å; Q392-K396 VanDerWaalsContact O-CG 3.25Å; Q392-K396 WeakPolarHBondContact O-CG 3.1Å; Q392-K396 PolarHBondContact O-N 3.24Å; Q392-K396 VanDerWaalsContact O-N 3.13Å; E393-K396 WeakPolarHBondContact O-CA 3.21Å; E393-K396 WeakPolarHBondContact O-CB 3.43Å; E393-K396 PolarHBondContact O-N 3.5Å; K396-R399 PolarHBondContact O-N 2.86Å; K396-G400 PolarHBondContact O-N 3.37Å |
| 397 | E | 98.3 | Very high | 98.4 | Very high | 142 Ų | 142 | 104.3 Ų | 104.3 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 174.4 | -68.9 | 179.5 | 175.1 | 0 | 0 | 111.4 | E393 E394 R399 G400 L401 | E393-E397 PolarHBondContact O-N 2.92Å; E394-E397 PolarHBondContact O-N 3.42Å; E397-R399 VanDerWaalsContact C-N 3.3Å; E397-R399 PolarHBondContact O-N 2.6Å; E397-G400 PolarHBondContact O-N 3.05Å; E397-G400 VanDerWaalsContact O-N 3.15Å; E397-L401 PolarHBondContact O-N 3.06Å |
| 398 | Q | 98.4 | Very high | 98.4 | Very high | 110 Ų | 110 | 103.3 Ų | 103.3 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 173.8 | -74.1 | 177.3 | 5.5 | 0 | 0 | 112.2 | E394 L401 M402 | E394-Q398 WeakPolarHBondContact O-CG 3.37Å; E394-Q398 PolarHBondContact O-N 3.12Å; Q398-L401 PolarHBondContact O-N 2.87Å; Q398-M402 WeakPolarHBondContact O-CG 3.5Å; Q398-M402 PolarHBondContact O-N 3.18Å |
| 399 | R | 98.4 | Very high | 98.4 | Very high | 155 Ų | 155 | 98.8 Ų | 98.8 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -46.5 | 173.2 | -179.9 | 171.1 | -67.5 | -81.2 | -1.6 | 111.9 | L395 K396 E397 L401 M402 D403 | L395-R399 WeakPolarHBondContact O-CB 3.34Å; L395-R399 PolarHBondContact O-N 2.79Å; L395-R399 VanDerWaalsContact O-N 3.08Å; K396-R399 PolarHBondContact O-N 2.86Å; E397-R399 VanDerWaalsContact C-N 3.3Å; E397-R399 PolarHBondContact O-N 2.6Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.46Å; R399-M402 HydrophobicContact CB-CE 4.42Å; R399-M402 PolarHBondContact O-N 2.77Å; R399-M402 VanDerWaalsContact O-N 3.16Å; R399-D403 VanDerWaalsContact O-CG 3.24Å; R399-D403 PolarHBondContact O-N 2.9Å |
| 400 | G | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 97.1 Ų | 97.1 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | K396 E397 D403 A404 | K396-G400 PolarHBondContact O-N 3.37Å; E397-G400 PolarHBondContact O-N 3.05Å; E397-G400 VanDerWaalsContact O-N 3.15Å; G400-D403 PolarHBondContact O-N 2.69Å; G400-A404 WeakPolarHBondContact O-CB 3.31Å; G400-A404 PolarHBondContact O-N 3.5Å |
| 401 | L | 98.8 | Very high | 98.4 | Very high | 109 Ų | 109 | 92.8 Ų | 92.8 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 173.9 | -178.5 | 63.7 | 0 | 0 | 0 | 112.1 | E397 Q398 R399 D403 A404 L405 | E397-L401 PolarHBondContact O-N 3.06Å; Q398-L401 PolarHBondContact O-N 2.87Å; R399-L401 VanDerWaalsContact C-N 3.28Å; R399-L401 PolarHBondContact O-N 3.46Å; L401-D403 VanDerWaalsContact C-N 3.35Å; L401-A404 PolarHBondContact O-N 2.79Å; L401-L405 HydrophobicContact CD1-CD1 4.27Å; L401-L405 HydrophobicContact CD1-CG 4.31Å; L401-L405 HydrophobicContact CG-CD1 4.06Å; L401-L405 WeakPolarHBondContact O-CB 3.2Å; L401-L405 WeakPolarHBondContact O-CG 3.43Å; L401-L405 PolarHBondContact O-N 2.58Å |
| 402 | M | 98.8 | Very high | 98.4 | Very high | 102 Ų | 102 | 92.8 Ų | 92.8 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.4 | -74.8 | -172 | -64.4 | 0 | 0 | 111.9 | Q398 R399 T406 | Q398-M402 WeakPolarHBondContact O-CG 3.5Å; Q398-M402 PolarHBondContact O-N 3.18Å; R399-M402 HydrophobicContact CB-CE 4.42Å; R399-M402 PolarHBondContact O-N 2.77Å; R399-M402 VanDerWaalsContact O-N 3.16Å; M402-T406 VanDerWaalsContact O-CB 3.25Å; M402-T406 WeakPolarHBondContact O-CB 3.48Å; M402-T406 PolarHBondContact O-N 2.91Å; M402-T406 PolarHBondContact O-OG1 2.9Å |
| 403 | D | 98.7 | Very high | 98.4 | Very high | 95 Ų | 95 | 94.8 Ų | 94.8 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 178.9 | -65.2 | -23 | 0 | 0 | 0 | 110.8 | R399 G400 L401 T406 A407 | R399-D403 VanDerWaalsContact O-CG 3.24Å; R399-D403 PolarHBondContact O-N 2.9Å; G400-D403 PolarHBondContact O-N 2.69Å; L401-D403 VanDerWaalsContact C-N 3.35Å; D403-T406 PolarHBondContact O-N 2.9Å; D403-A407 PolarHBondContact O-N 2.63Å |
| 404 | A | 98.6 | Very high | 98.4 | Very high | 55 Ų | 55 | 97 Ų | 97 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G400 L401 T406 A407 E408 | G400-A404 WeakPolarHBondContact O-CB 3.31Å; G400-A404 PolarHBondContact O-N 3.5Å; L401-A404 PolarHBondContact O-N 2.79Å; A404-T406 VanDerWaalsContact C-N 3.26Å; A404-T406 PolarHBondContact O-N 3.29Å; A404-A407 WeakPolarHBondContact O-CB 3.12Å; A404-A407 PolarHBondContact O-N 3.06Å; A404-E408 PolarHBondContact O-N 3.18Å |
| 405 | L | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 99.6 Ų | 99.6 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 174.5 | -73.5 | 170.8 | 0 | 0 | 0 | 111.6 | L401 E408 T409 | L401-L405 HydrophobicContact CD1-CD1 4.27Å; L401-L405 HydrophobicContact CD1-CG 4.31Å; L401-L405 HydrophobicContact CG-CD1 4.06Å; L401-L405 WeakPolarHBondContact O-CB 3.2Å; L401-L405 WeakPolarHBondContact O-CG 3.43Å; L401-L405 PolarHBondContact O-N 2.58Å; L405-E408 PolarHBondContact O-N 3.46Å; L405-T409 WeakPolarHBondContact O-CB 3.31Å; L405-T409 PolarHBondContact O-N 2.8Å; L405-T409 PolarHBondContact O-OG1 3.35Å |
| 406 | T | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 96 Ų | 96 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | M402 D403 A404 T409 M410 | M402-T406 VanDerWaalsContact O-CB 3.25Å; M402-T406 WeakPolarHBondContact O-CB 3.48Å; M402-T406 PolarHBondContact O-N 2.91Å; M402-T406 PolarHBondContact O-OG1 2.9Å; D403-T406 PolarHBondContact O-N 2.9Å; A404-T406 VanDerWaalsContact C-N 3.26Å; A404-T406 PolarHBondContact O-N 3.29Å; T406-T409 PolarHBondContact O-N 2.86Å; T406-M410 VanDerWaalsContact O-CG 3.23Å; T406-M410 WeakPolarHBondContact O-CG 3.3Å; T406-M410 PolarHBondContact O-N 3.45Å |
| 407 | A | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 92.5 Ų | 92.5 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D403 A404 T409 M410 T411 | D403-A407 PolarHBondContact O-N 2.63Å; A404-A407 WeakPolarHBondContact O-CB 3.12Å; A404-A407 PolarHBondContact O-N 3.06Å; A407-T409 VanDerWaalsContact C-N 3.33Å; A407-T409 PolarHBondContact O-N 3.08Å; A407-M410 WeakPolarHBondContact O-CA 3.43Å; A407-M410 WeakPolarHBondContact O-CB 3.24Å; A407-M410 PolarHBondContact O-N 2.86Å; A407-T411 PolarHBondContact O-N 3.3Å; A407-T411 PolarHBondContact O-OG1 3.38Å |
| 408 | E | 98.1 | Very high | 98.3 | Very high | 109 Ų | 109 | 88.7 Ų | 88.7 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.3 | -172.4 | 178 | -179.3 | 0 | 0 | 112 | A404 L405 M410 T411 L412 | A404-E408 PolarHBondContact O-N 3.18Å; L405-E408 PolarHBondContact O-N 3.46Å; E408-M410 VanDerWaalsContact C-N 3.25Å; E408-M410 PolarHBondContact O-N 3.08Å; E408-T411 WeakPolarHBondContact CA-OG1 3.36Å; E408-T411 PolarHBondContact O-N 2.7Å; E408-T411 PolarHBondContact O-OG1 2.82Å; E408-L412 HydrophobicContact CG-CD1 4.13Å; E408-L412 HydrophobicContact CG-CG 4.48Å; E408-L412 WeakPolarHBondContact O-CB 3.28Å; E408-L412 VanDerWaalsContact O-CG 3.28Å; E408-L412 WeakPolarHBondContact O-CG 3.16Å; E408-L412 PolarHBondContact O-N 3.15Å |
| 409 | T | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 89.2 Ų | 89.2 | 36% | 0.362 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.6 | -20.1 | 176 | -41.7 | 0 | 0 | 0 | 0 | 112.3 | L405 T406 A407 R413 | L405-T409 WeakPolarHBondContact O-CB 3.31Å; L405-T409 PolarHBondContact O-N 2.8Å; L405-T409 PolarHBondContact O-OG1 3.35Å; T406-T409 PolarHBondContact O-N 2.86Å; A407-T409 VanDerWaalsContact C-N 3.33Å; A407-T409 PolarHBondContact O-N 3.08Å; T409-R413 VanDerWaalsContact CG2-NH1 3.25Å; T409-R413 WeakPolarHBondContact O-CD 3.39Å; T409-R413 VanDerWaalsContact O-CG 3.26Å; T409-R413 WeakPolarHBondContact O-CG 3.42Å; T409-R413 PolarHBondContact O-NH1 2.72Å |
| 410 | M | 98.1 | Very high | 98.3 | Very high | 91 Ų | 91 | 87.5 Ų | 87.5 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78 | -47.7 | 169.9 | -65.4 | -89.3 | 67.8 | 0 | 0 | 110.4 | T406 A407 E408 L412 R413 E414 | T406-M410 VanDerWaalsContact O-CG 3.23Å; T406-M410 WeakPolarHBondContact O-CG 3.3Å; T406-M410 PolarHBondContact O-N 3.45Å; A407-M410 WeakPolarHBondContact O-CA 3.43Å; A407-M410 WeakPolarHBondContact O-CB 3.24Å; A407-M410 PolarHBondContact O-N 2.86Å; E408-M410 VanDerWaalsContact C-N 3.25Å; E408-M410 PolarHBondContact O-N 3.08Å; M410-L412 PolarHBondContact O-N 2.96Å; M410-R413 WeakPolarHBondContact O-CB 3.33Å; M410-R413 PolarHBondContact O-N 3.47Å; M410-E414 PolarHBondContact O-N 2.85Å |
| 411 | T | 98.2 | Very high | 98.2 | Very high | 66 Ų | 66 | 89.4 Ų | 89.4 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | A407 E408 R413 E414 E415 | A407-T411 PolarHBondContact O-N 3.3Å; A407-T411 PolarHBondContact O-OG1 3.38Å; E408-T411 WeakPolarHBondContact CA-OG1 3.36Å; E408-T411 PolarHBondContact O-N 2.7Å; E408-T411 PolarHBondContact O-OG1 2.82Å; T411-R413 VanDerWaalsContact C-N 3.28Å; T411-R413 PolarHBondContact O-N 2.81Å; T411-E414 PolarHBondContact O-N 2.82Å; T411-E415 WeakPolarHBondContact O-CB 3.24Å; T411-E415 WeakPolarHBondContact O-CG 3.4Å; T411-E415 PolarHBondContact O-N 3.38Å |
| 412 | L | 98.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 85.4 Ų | 85.4 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 174.8 | -73 | 171.7 | 0 | 0 | 0 | 113 | E408 M410 G416 | E408-L412 HydrophobicContact CG-CD1 4.13Å; E408-L412 HydrophobicContact CG-CG 4.48Å; E408-L412 WeakPolarHBondContact O-CB 3.28Å; E408-L412 VanDerWaalsContact O-CG 3.28Å; E408-L412 WeakPolarHBondContact O-CG 3.16Å; E408-L412 PolarHBondContact O-N 3.15Å; M410-L412 PolarHBondContact O-N 2.96Å; L412-G416 PolarHBondContact O-N 3.06Å |
| 413 | R | 98 | Very high | 98.1 | Very high | 154 Ų | 154 | 85.6 Ų | 85.6 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.5 | -39 | 173.3 | -76 | 176 | -177 | 116.6 | -7 | 111.7 | T409 M410 T411 G416 A417 | T409-R413 VanDerWaalsContact CG2-NH1 3.25Å; T409-R413 WeakPolarHBondContact O-CD 3.39Å; T409-R413 VanDerWaalsContact O-CG 3.26Å; T409-R413 WeakPolarHBondContact O-CG 3.42Å; T409-R413 PolarHBondContact O-NH1 2.72Å; M410-R413 WeakPolarHBondContact O-CB 3.33Å; M410-R413 PolarHBondContact O-N 3.47Å; T411-R413 VanDerWaalsContact C-N 3.28Å; T411-R413 PolarHBondContact O-N 2.81Å; R413-G416 PolarHBondContact O-N 3.31Å; R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.18Å |
| 414 | E | 98.1 | Very high | 98 | Very high | 134 Ų | 134 | 86.6 Ų | 86.6 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 174.3 | -69.9 | 174 | -173.3 | 0 | 0 | 111.3 | M410 T411 A417 A418 | M410-E414 PolarHBondContact O-N 2.85Å; T411-E414 PolarHBondContact O-N 2.82Å; E414-A417 PolarHBondContact O-N 2.86Å; E414-A418 WeakPolarHBondContact O-CB 3.5Å; E414-A418 PolarHBondContact O-N 3.13Å |
| 415 | E | 97.8 | Very high | 98 | Very high | 116 Ų | 116 | 90 Ų | 90 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.3 | -72.5 | -179.3 | 178.9 | 0 | 0 | 111.7 | T411 A417 A418 L419 | T411-E415 WeakPolarHBondContact O-CB 3.24Å; T411-E415 WeakPolarHBondContact O-CG 3.4Å; T411-E415 PolarHBondContact O-N 3.38Å; E415-A417 VanDerWaalsContact C-N 3.35Å; E415-A417 PolarHBondContact O-N 2.96Å; E415-A418 PolarHBondContact O-N 3.45Å; E415-L419 WeakPolarHBondContact O-CB 3.44Å; E415-L419 WeakPolarHBondContact O-CG 3.31Å; E415-L419 PolarHBondContact O-N 3.4Å |
| 416 | G | 97.9 | Very high | 98 | Very high | 36 Ų | 36 | 94 Ų | 94 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L412 R413 L419 Q420 | L412-G416 PolarHBondContact O-N 3.06Å; R413-G416 PolarHBondContact O-N 3.31Å; G416-L419 PolarHBondContact O-N 2.95Å; G416-Q420 WeakPolarHBondContact O-CB 3.22Å; G416-Q420 PolarHBondContact O-N 3.49Å |
| 417 | A | 97.8 | Very high | 97.9 | Very high | 46 Ų | 46 | 93.4 Ų | 93.4 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R413 E414 E415 Q420 T421 | R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.18Å; E414-A417 PolarHBondContact O-N 2.86Å; E415-A417 VanDerWaalsContact C-N 3.35Å; E415-A417 PolarHBondContact O-N 2.96Å; A417-Q420 PolarHBondContact O-N 3.15Å; A417-T421 WeakPolarHBondContact O-CB 3.38Å; A417-T421 WeakPolarHBondContact O-CG2 3.36Å; A417-T421 PolarHBondContact O-N 3.4Å; A417-T421 PolarHBondContact O-OG1 3.23Å |
| 418 | A | 97.9 | Very high | 97.9 | Very high | 61 Ų | 61 | 93 Ų | 93 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | E414 E415 T421 G422 | E414-A418 WeakPolarHBondContact O-CB 3.5Å; E414-A418 PolarHBondContact O-N 3.13Å; E415-A418 PolarHBondContact O-N 3.45Å; A418-T421 WeakPolarHBondContact CA-OG1 3.41Å; A418-T421 PolarHBondContact O-OG1 2.94Å; A418-T421 VanDerWaalsContact O-OG1 3.07Å; A418-G422 PolarHBondContact O-N 2.99Å |
| 419 | L | 98.2 | Very high | 97.8 | Very high | 122 Ų | 122 | 91 Ų | 91 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.7 | -41.3 | 174.3 | -71.1 | 173.7 | 0 | 0 | 0 | 111.7 | E415 G416 G422 L423 | E415-L419 WeakPolarHBondContact O-CB 3.44Å; E415-L419 WeakPolarHBondContact O-CG 3.31Å; E415-L419 PolarHBondContact O-N 3.4Å; G416-L419 PolarHBondContact O-N 2.95Å; L419-G422 PolarHBondContact O-N 3.25Å; L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 2.97Å |
| 420 | Q | 97.9 | Very high | 97.8 | Very high | 118 Ų | 118 | 93.5 Ų | 93.5 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -45.9 | 176.6 | -174.4 | 178.5 | 19.7 | 0 | 0 | 111.9 | G416 A417 L423 Q424 | G416-Q420 WeakPolarHBondContact O-CB 3.22Å; G416-Q420 PolarHBondContact O-N 3.49Å; A417-Q420 PolarHBondContact O-N 3.15Å; Q420-L423 PolarHBondContact O-N 3.3Å; Q420-Q424 WeakPolarHBondContact O-CG 3.42Å; Q420-Q424 PolarHBondContact O-N 2.91Å |
| 421 | T | 97.4 | Very high | 97.8 | Very high | 80 Ų | 80 | 94.5 Ų | 94.5 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 176.3 | 49 | 0 | 0 | 0 | 0 | 111.8 | A417 A418 L423 Q424 Q425 | A417-T421 WeakPolarHBondContact O-CB 3.38Å; A417-T421 WeakPolarHBondContact O-CG2 3.36Å; A417-T421 PolarHBondContact O-N 3.4Å; A417-T421 PolarHBondContact O-OG1 3.23Å; A418-T421 WeakPolarHBondContact CA-OG1 3.41Å; A418-T421 PolarHBondContact O-OG1 2.94Å; A418-T421 VanDerWaalsContact O-OG1 3.07Å; T421-L423 VanDerWaalsContact C-N 3.35Å; T421-L423 PolarHBondContact O-N 3.47Å; T421-Q424 PolarHBondContact O-N 2.74Å; T421-Q425 WeakPolarHBondContact O-CB 3.38Å; T421-Q425 PolarHBondContact O-N 3.42Å |
| 422 | G | 98 | Very high | 97.7 | Very high | 25 Ų | 25 | 97.6 Ų | 97.6 | 26% | 0.258 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -33.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A418 L419 R426 | A418-G422 PolarHBondContact O-N 2.99Å; L419-G422 PolarHBondContact O-N 3.25Å; G422-R426 WeakPolarHBondContact O-CG 3.3Å; G422-R426 PolarHBondContact O-N 2.93Å; G422-R426 VanDerWaalsContact O-N 3.16Å |
| 423 | L | 97.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.8 | -45.8 | 171.4 | -73.7 | 173 | 0 | 0 | 0 | 111.4 | L419 Q420 T421 Q425 R426 T427 | L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L423 PolarHBondContact O-N 2.97Å; Q420-L423 PolarHBondContact O-N 3.3Å; T421-L423 VanDerWaalsContact C-N 3.35Å; T421-L423 PolarHBondContact O-N 3.47Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.21Å; L423-R426 PolarHBondContact O-N 3.37Å; L423-T427 PolarHBondContact O-N 3.17Å; L423-T427 PolarHBondContact O-OG1 3.31Å; L423-T427 VanDerWaalsContact O-OG1 3.09Å |
| 424 | Q | 97.4 | Very high | 97.5 | Very high | 115 Ų | 115 | 96.9 Ų | 96.9 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 175.1 | -74.5 | 173.2 | -14.9 | 0 | 0 | 112 | Q420 T421 T427 A428 | Q420-Q424 WeakPolarHBondContact O-CG 3.42Å; Q420-Q424 PolarHBondContact O-N 2.91Å; T421-Q424 PolarHBondContact O-N 2.74Å; Q424-T427 PolarHBondContact O-N 2.88Å; Q424-A428 PolarHBondContact O-N 2.78Å |
| 425 | Q | 97.6 | Very high | 97.4 | Very high | 128 Ų | 128 | 95.7 Ų | 95.7 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | 174.7 | -175.9 | -179.8 | 5.3 | 0 | 0 | 111.5 | T421 L423 T427 A428 D429 | T421-Q425 WeakPolarHBondContact O-CB 3.38Å; T421-Q425 PolarHBondContact O-N 3.42Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.21Å; Q425-T427 VanDerWaalsContact C-N 3.29Å; Q425-T427 PolarHBondContact O-N 3.12Å; Q425-A428 PolarHBondContact O-N 3.43Å; Q425-D429 PolarHBondContact O-N 2.84Å |
| 426 | R | 97.7 | Very high | 97.3 | Very high | 169 Ų | 169 | 93.2 Ų | 93.2 | 64% | 0.638 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -34.5 | 176.9 | -72.8 | 174.6 | -177.1 | 171.7 | 3.3 | 112.7 | G422 L423 L430 | G422-R426 WeakPolarHBondContact O-CG 3.3Å; G422-R426 PolarHBondContact O-N 2.93Å; G422-R426 VanDerWaalsContact O-N 3.16Å; L423-R426 PolarHBondContact O-N 3.37Å; R426-L430 WeakPolarHBondContact O-CB 3.35Å; R426-L430 VanDerWaalsContact O-CG 3.24Å; R426-L430 WeakPolarHBondContact O-CG 3.48Å; R426-L430 PolarHBondContact O-N 3.17Å |
| 427 | T | 97.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 95 Ų | 95 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 173.9 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | L423 Q424 Q425 D429 L430 E431 | L423-T427 PolarHBondContact O-N 3.17Å; L423-T427 PolarHBondContact O-OG1 3.31Å; L423-T427 VanDerWaalsContact O-OG1 3.09Å; Q424-T427 PolarHBondContact O-N 2.88Å; Q425-T427 VanDerWaalsContact C-N 3.29Å; Q425-T427 PolarHBondContact O-N 3.12Å; T427-D429 PolarHBondContact O-N 3.2Å; T427-L430 CarbonylContact O-C 3.57Å; T427-L430 PolarHBondContact O-N 2.91Å; T427-L430 VanDerWaalsContact O-N 3.08Å; T427-E431 HydrophobicContact CG2-CG 4.47Å; T427-E431 WeakPolarHBondContact O-CG 3.46Å; T427-E431 PolarHBondContact O-N 2.84Å |
| 428 | A | 97.1 | Very high | 97 | Very high | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q424 Q425 L430 E431 Q432 | Q424-A428 PolarHBondContact O-N 2.78Å; Q425-A428 PolarHBondContact O-N 3.43Å; A428-L430 VanDerWaalsContact C-N 3.28Å; A428-L430 PolarHBondContact O-N 2.87Å; A428-E431 PolarHBondContact O-N 3.5Å; A428-Q432 WeakPolarHBondContact O-CB 3.43Å; A428-Q432 PolarHBondContact O-N 3.06Å |
| 429 | D | 97.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 35% | 0.348 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -34.7 | 173.7 | -75.1 | -6.3 | 0 | 0 | 0 | 112.1 | Q425 T427 K433 | Q425-D429 PolarHBondContact O-N 2.84Å; T427-D429 PolarHBondContact O-N 3.2Å; D429-K433 WeakPolarHBondContact O-CD 3.39Å; D429-K433 VanDerWaalsContact O-CG 3.22Å; D429-K433 WeakPolarHBondContact O-CG 3.28Å; D429-K433 PolarHBondContact O-N 2.79Å |
| 430 | L | 97.6 | Very high | 96.5 | Very high | 112 Ų | 112 | 99 Ų | 99 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.4 | -39.1 | 177.1 | -73.7 | 171.1 | 0 | 0 | 0 | 111.8 | R426 T427 A428 K433 L434 | R426-L430 WeakPolarHBondContact O-CB 3.35Å; R426-L430 VanDerWaalsContact O-CG 3.24Å; R426-L430 WeakPolarHBondContact O-CG 3.48Å; R426-L430 PolarHBondContact O-N 3.17Å; T427-L430 CarbonylContact O-C 3.57Å; T427-L430 PolarHBondContact O-N 2.91Å; T427-L430 VanDerWaalsContact O-N 3.08Å; A428-L430 VanDerWaalsContact C-N 3.28Å; A428-L430 PolarHBondContact O-N 2.87Å; L430-K433 PolarHBondContact O-N 3.49Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.13Å |
| 431 | E | 96.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 171.1 | -72.5 | 169.6 | 173.1 | 0 | 0 | 110.4 | T427 A428 K433 L434 D435 | T427-E431 HydrophobicContact CG2-CG 4.47Å; T427-E431 WeakPolarHBondContact O-CG 3.46Å; T427-E431 PolarHBondContact O-N 2.84Å; A428-E431 PolarHBondContact O-N 3.5Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.85Å; E431-L434 CarbonylContact O-C 3.49Å; E431-L434 WeakPolarHBondContact O-CA 3.41Å; E431-L434 WeakPolarHBondContact O-CB 3.28Å; E431-L434 PolarHBondContact O-N 3.19Å; E431-L434 VanDerWaalsContact O-N 3.08Å; E431-D435 PolarHBondContact O-N 2.76Å |
| 432 | Q | 96.7 | Very high | 95.4 | Very high | 130 Ų | 130 | 94.9 Ų | 94.9 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | 175.9 | -172.1 | -174.3 | 5.8 | 0 | 0 | 112.7 | A428 S436 | A428-Q432 WeakPolarHBondContact O-CB 3.43Å; A428-Q432 PolarHBondContact O-N 3.06Å; Q432-S436 WeakPolarHBondContact O-CB 3.41Å; Q432-S436 PolarHBondContact O-N 3.37Å; Q432-S436 PolarHBondContact O-OG 3.37Å |
| 433 | K | 96.8 | Very high | 94.5 | Very high | 128 Ų | 128 | 97.1 Ų | 97.1 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68 | -39.6 | 174.4 | -76.6 | 166.5 | -173 | 166.4 | 0 | 111.6 | D429 L430 E431 S436 V437 | D429-K433 WeakPolarHBondContact O-CD 3.39Å; D429-K433 VanDerWaalsContact O-CG 3.22Å; D429-K433 WeakPolarHBondContact O-CG 3.28Å; D429-K433 PolarHBondContact O-N 2.79Å; L430-K433 PolarHBondContact O-N 3.49Å; E431-K433 VanDerWaalsContact C-N 3.31Å; E431-K433 PolarHBondContact O-N 2.85Å; K433-S436 PolarHBondContact O-N 3.46Å; K433-V437 VanDerWaalsContact O-CG2 3.26Å; K433-V437 WeakPolarHBondContact O-CG2 3.41Å; K433-V437 PolarHBondContact O-N 3.01Å |
| 434 | L | 96.4 | Very high | 93.4 | Very high | 109 Ų | 109 | 98.1 Ų | 98.1 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -48.8 | 174.8 | -177.2 | 66.6 | 0 | 0 | 0 | 110.4 | L430 E431 S436 V437 V438 | L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 PolarHBondContact O-N 3.13Å; E431-L434 CarbonylContact O-C 3.49Å; E431-L434 WeakPolarHBondContact O-CA 3.41Å; E431-L434 WeakPolarHBondContact O-CB 3.28Å; E431-L434 PolarHBondContact O-N 3.19Å; E431-L434 VanDerWaalsContact O-N 3.08Å; L434-S436 VanDerWaalsContact C-N 3.28Å; L434-S436 PolarHBondContact O-N 2.98Å; L434-V437 CarbonylContact O-C 3.52Å; L434-V437 WeakPolarHBondContact O-CB 3.28Å; L434-V437 PolarHBondContact O-N 3.39Å; L434-V437 VanDerWaalsContact O-N 3.08Å; L434-V438 HydrophobicContact CG-CG2 4.45Å; L434-V438 WeakPolarHBondContact O-CG2 3.43Å; L434-V438 PolarHBondContact O-N 2.78Å |
| 435 | D | 95.9 | Very high | 91.9 | Very high | 109 Ų | 109 | 95.5 Ų | 95.5 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.3 | -41.6 | 175.4 | -74.5 | -17.9 | 0 | 0 | 0 | 111.7 | E431 V437 V438 L439 | E431-D435 PolarHBondContact O-N 2.76Å; D435-V437 VanDerWaalsContact C-N 3.35Å; D435-V437 PolarHBondContact O-N 3.18Å; D435-V438 PolarHBondContact O-N 3.1Å; D435-L439 VanDerWaalsContact O-CB 3.31Å; D435-L439 WeakPolarHBondContact O-CB 3.39Å; D435-L439 PolarHBondContact O-N 3.2Å |
| 436 | S | 95 | Very high | 90.3 | Very high | 63 Ų | 63 | 95.5 Ų | 95.5 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.8 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | Q432 K433 L434 L440 | Q432-S436 WeakPolarHBondContact O-CB 3.41Å; Q432-S436 PolarHBondContact O-N 3.37Å; Q432-S436 PolarHBondContact O-OG 3.37Å; K433-S436 PolarHBondContact O-N 3.46Å; L434-S436 VanDerWaalsContact C-N 3.28Å; L434-S436 PolarHBondContact O-N 2.98Å; S436-L440 WeakPolarHBondContact O-CG 3.31Å; S436-L440 PolarHBondContact O-N 3.04Å |
| 437 | V | 95.3 | Very high | 88.4 | Confident | 75 Ų | 75 | 92.7 Ų | 92.7 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | K433 L434 D435 L440 M441 | K433-V437 VanDerWaalsContact O-CG2 3.26Å; K433-V437 WeakPolarHBondContact O-CG2 3.41Å; K433-V437 PolarHBondContact O-N 3.01Å; L434-V437 CarbonylContact O-C 3.52Å; L434-V437 WeakPolarHBondContact O-CB 3.28Å; L434-V437 PolarHBondContact O-N 3.39Å; L434-V437 VanDerWaalsContact O-N 3.08Å; D435-V437 VanDerWaalsContact C-N 3.35Å; D435-V437 PolarHBondContact O-N 3.18Å; V437-L440 PolarHBondContact O-N 2.91Å; V437-M441 HydrophobicContact CG1-CE 4.24Å; V437-M441 WeakPolarHBondContact O-CG 3.31Å; V437-M441 PolarHBondContact O-N 3.47Å |
| 438 | V | 94.3 | Very high | 86.1 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 33% | 0.333 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.2 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L434 D435 L440 M441 G442 L447 | L434-V438 HydrophobicContact CG-CG2 4.45Å; L434-V438 WeakPolarHBondContact O-CG2 3.43Å; L434-V438 PolarHBondContact O-N 2.78Å; D435-V438 PolarHBondContact O-N 3.1Å; V438-L440 PolarHBondContact O-N 2.94Å; V438-M441 HydrophobicContact CG2-CE 4.34Å; V438-M441 PolarHBondContact O-N 3.47Å; V438-G442 PolarHBondContact O-N 3.36Å; V438-L447 HydrophobicContact CG1-CD2 4.22Å |
| 439 | L | 92.5 | Very high | 83.8 | Confident | 141 Ų | 141 | 96.9 Ų | 96.9 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.5 | -40.7 | 176.7 | -158.8 | 78.1 | 0 | 0 | 0 | 111.5 | D435 G442 G443 | D435-L439 VanDerWaalsContact O-CB 3.31Å; D435-L439 WeakPolarHBondContact O-CB 3.39Å; D435-L439 PolarHBondContact O-N 3.2Å; L439-G442 PolarHBondContact O-N 3.29Å; L439-G443 PolarHBondContact O-N 3.3Å |
| 440 | L | 92.6 | Very high | 81.4 | Confident | 117 Ų | 117 | 101.9 Ų | 101.9 | 61% | 0.613 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.3 | -45.1 | 172.8 | -81.4 | 163.8 | 0 | 0 | 0 | 112.3 | S436 V437 V438 G442 G443 L444 | S436-L440 WeakPolarHBondContact O-CG 3.31Å; S436-L440 PolarHBondContact O-N 3.04Å; V437-L440 PolarHBondContact O-N 2.91Å; V438-L440 PolarHBondContact O-N 2.94Å; L440-G442 VanDerWaalsContact C-N 3.33Å; L440-G442 PolarHBondContact O-N 2.86Å; L440-G443 PolarHBondContact O-N 3.13Å; L440-L444 WeakPolarHBondContact O-CB 3.49Å; L440-L444 VanDerWaalsContact O-CG 3.25Å; L440-L444 WeakPolarHBondContact O-CG 3.41Å; L440-L444 PolarHBondContact O-N 3.33Å |
| 441 | M | 85.4 | Confident | 78.9 | Confident | 66 Ų | 66 | 103 Ų | 103 | 33% | 0.325 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.4 | -35.3 | 176.5 | -71.9 | -168.1 | -56.2 | 0 | 0 | 112.6 | V437 V438 L444 G445 L446 L447 | V437-M441 HydrophobicContact CG1-CE 4.24Å; V437-M441 WeakPolarHBondContact O-CG 3.31Å; V437-M441 PolarHBondContact O-N 3.47Å; V438-M441 HydrophobicContact CG2-CE 4.34Å; V438-M441 PolarHBondContact O-N 3.47Å; M441-L444 CarbonylContact O-C 3.54Å; M441-L444 PolarHBondContact O-N 2.83Å; M441-G445 PolarHBondContact O-N 3.49Å; M441-G445 VanDerWaalsContact O-N 3.13Å; M441-L446 HydrophobicContact CB-CB 4.38Å; M441-L446 PolarHBondContact O-N 3.32Å; M441-L447 HydrophobicContact CE-CD1 4.3Å |
| 442 | G | 86.4 | Confident | 75.9 | Confident | 44 Ų | 44 | 105.5 Ų | 105.5 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.4 | -44.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V438 L439 L440 L444 G445 | V438-G442 PolarHBondContact O-N 3.36Å; L439-G442 PolarHBondContact O-N 3.29Å; L440-G442 VanDerWaalsContact C-N 3.33Å; L440-G442 PolarHBondContact O-N 2.86Å; G442-L444 PolarHBondContact O-N 2.93Å; G442-G445 PolarHBondContact O-N 3.33Å |
| 443 | G | 78.8 | Confident | 73.2 | Confident | 73 Ų | 73 | 104.7 Ų | 104.7 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.4 | -24.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L439 L440 | L439-G443 PolarHBondContact O-N 3.3Å; L440-G443 PolarHBondContact O-N 3.13Å |
| 444 | L | 76.3 | Confident | 70.2 | Confident | 127 Ų | 127 | 104.2 Ų | 104.2 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 1.6 | 172.8 | -68.8 | 168 | 0 | 0 | 0 | 113.6 | L440 M441 G442 L446 | L440-L444 WeakPolarHBondContact O-CB 3.49Å; L440-L444 VanDerWaalsContact O-CG 3.25Å; L440-L444 WeakPolarHBondContact O-CG 3.41Å; L440-L444 PolarHBondContact O-N 3.33Å; M441-L444 CarbonylContact O-C 3.54Å; M441-L444 PolarHBondContact O-N 2.83Å; G442-L444 PolarHBondContact O-N 2.93Å; L444-L446 HydrophobicContact CB-CD1 3.96Å; L444-L446 HydrophobicContact CB-CG 4.34Å; L444-L446 HydrophobicContact CD1-CD1 4.35Å; L444-L446 PolarHBondContact O-N 2.91Å |
| 445 | G | 65.3 | Low | 67.2 | Low | 60 Ų | 60 | 110.3 Ų | 110.3 | 62% | 0.619 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 9.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M441 G442 | M441-G445 PolarHBondContact O-N 3.49Å; M441-G445 VanDerWaalsContact O-N 3.13Å; G442-G445 PolarHBondContact O-N 3.33Å |
| 446 | L | 63.4 | Low | 64.2 | Low | 127 Ų | 127 | 112.7 Ų | 112.7 | 67% | 0.665 | 65% | 0.647 | S | S | * | * | trans | -76.7 | -23.1 | -176.8 | -75.3 | 160.7 | 0 | 0 | 0 | 112.8 | M441 L444 G448 | M441-L446 HydrophobicContact CB-CB 4.38Å; M441-L446 PolarHBondContact O-N 3.32Å; L444-L446 HydrophobicContact CB-CD1 3.96Å; L444-L446 HydrophobicContact CB-CG 4.34Å; L444-L446 HydrophobicContact CD1-CD1 4.35Å; L444-L446 PolarHBondContact O-N 2.91Å; L446-G448 VanDerWaalsContact C-N 3.28Å; L446-G448 PolarHBondContact O-N 3.07Å; L446-G448 VanDerWaalsContact O-N 3.15Å | ||
| 447 | L | 58.1 | Low | 61.4 | Low | 111 Ų | 111 | 114.9 Ų | 114.9 | 58% | 0.581 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -89.2 | 55.7 | 179.2 | -147.6 | 80.7 | 0 | 0 | 0 | 113 | V438 M441 | V438-L447 HydrophobicContact CG1-CD2 4.22Å; M441-L447 HydrophobicContact CE-CD1 4.3Å |
| 448 | G | 49.6 | Very low | 58.4 | Low | 55 Ų | 55 | 115.2 Ų | 115.2 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | trans | 63.6 | 88.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | L446 Q450 | L446-G448 VanDerWaalsContact C-N 3.28Å; L446-G448 PolarHBondContact O-N 3.07Å; L446-G448 VanDerWaalsContact O-N 3.15Å; G448-Q450 PolarHBondContact O-N 3.01Å | ||
| 449 | E | 47.7 | Very low | 55.3 | Low | 155 Ų | 155 | 116.1 Ų | 116.1 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | trans | -64 | 75.5 | 154.8 | -171.3 | -171 | 165.9 | 0 | 0 | 110.5 | K452 | E449-K452 VanDerWaalsContact OE1-CE 3.24Å; E449-K452 WeakPolarHBondContact OE1-CE 3.37Å; E449-K452 IonicContact OE1-NZ 3.15Å; E449-K452 PolarHBondContact OE1-NZ 3.35Å | ||
| 450 | Q | 48.8 | Very low | 52.4 | Low | 169 Ų | 169 | 120.9 Ų | 120.9 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | -137 | 38.8 | -175.2 | -95.9 | -70 | 72.9 | 0 | 0 | 115.4 | G448 | G448-Q450 PolarHBondContact O-N 3.01Š| ||
| 451 | T | 44.3 | Very low | 49.5 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | -143.9 | 79.6 | 156.9 | -34.3 | 0 | 0 | 0 | 0 | 111.9 | P453 | T451-P453 VanDerWaalsContact O-CD 3.27Å; T451-P453 WeakPolarHBondContact O-CD 3.39Å | ||
| 452 | K | 33.5 | Very low | 47.1 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | -87.1 | 110.3 | 162.9 | -82.1 | 174.2 | 179.9 | 148.7 | 0 | 109.2 | E449 S454 | E449-K452 VanDerWaalsContact OE1-CE 3.24Å; E449-K452 WeakPolarHBondContact OE1-CE 3.37Å; E449-K452 IonicContact OE1-NZ 3.15Å; E449-K452 PolarHBondContact OE1-NZ 3.35Å; K452-S454 PolarHBondContact O-N 2.92Å | ||
| 453 | P | 41.5 | Very low | 44.6 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -67.8 | 129.8 | 160.1 | 29.1 | -31.6 | 0 | 0 | 0 | 108.3 | T451 R455 | T451-P453 VanDerWaalsContact O-CD 3.27Å; T451-P453 WeakPolarHBondContact O-CD 3.39Å; P453-R455 PolarHBondContact O-N 3.35Å | ||
| 454 | S | 32.8 | Very low | 42.2 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -62.6 | 106.4 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | K452 D456 | K452-S454 PolarHBondContact O-N 2.92Å; S454-D456 PolarHBondContact O-N 2.89Å; S454-D456 VanDerWaalsContact O-N 3.08Å | ||
| 455 | R | 34.7 | Very low | 40 | Very low | 236 Ų | 236 | 129.4 Ų | 129.4 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -78.7 | 91.6 | 178.4 | -171 | -178.5 | -171 | -177.8 | 3.6 | 109.3 | P453 | P453-R455 PolarHBondContact O-N 3.35Š| ||
| 456 | D | 31.2 | Very low | 38.1 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 139.6 | 172.7 | -156.2 | -4.4 | 0 | 0 | 0 | 110.1 | S454 | S454-D456 PolarHBondContact O-N 2.89Å; S454-D456 VanDerWaalsContact O-N 3.08Å | ||
| 457 | S | 37.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -132.4 | 98.7 | -168.4 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 458 | G | 30.9 | Very low | 35.1 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -168.3 | 105.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 459 | G | 29.9 | Very low | 34.1 | Very low | 73 Ų | 73 | 141.2 Ų | 141.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 100.5 | 89 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 460 | R | 32.5 | Very low | 33.1 | Very low | 242 Ų | 242 | 138.9 Ų | 138.9 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | 66.9 | 126.7 | 126.9 | -77.9 | -171.3 | -126.3 | -113.1 | 0.2 | 122.1 | |||||
| 461 | V | 31.4 | Very low | 32 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | 95.8 | 103.4 | 127.2 | 171.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 462 | S | 35.3 | Very low | 31.1 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | 71.3 | 121 | 132.8 | -63.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 463 | Q | 33.2 | Very low | 31 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | 71.2 | 112.6 | 127.9 | -69.4 | -179.7 | -20.8 | 0 | 0 | 120.8 | |||||
| 464 | S | 28.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | 120.6 | 158.1 | 118 | 76.6 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 465 | C | 28.9 | Very low | 30.4 | Very low | 107 Ų | 107 | 136 Ų | 136 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | trans | 49.2 | 117.1 | 171.1 | 52 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 466 | V | 26.8 | Very low | 30.1 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | 83.4 | 132.3 | 59.4 | 170.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 467 | C | 26.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | 70.8 | 93.6 | 167.8 | -73.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 468 | R | 30.3 | Very low | 29.8 | Very low | 238 Ų | 238 | 133.9 Ų | 133.9 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | 7.7 | 113.1 | 110.7 | 179 | -177.3 | -179.2 | 172.6 | 0.5 | 116.4 | |||||
| 469 | S | 29.1 | Very low | 29.6 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | -176.8 | 164.6 | 119.7 | -109.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 470 | A | 27.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 144 Ų | 144 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -59.3 | 165.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 471 | G | 25.1 | Very low | 29.5 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 157.2 | 121.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 472 | G | 26.8 | Very low | 29.6 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 179.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 473 | D | 30.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | cis | -168.3 | 166.8 | 40.2 | -98.4 | -42 | 0 | 0 | 0 | 112.6 | ||||
| 474 | E | 30.7 | Very low | 30.2 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | 36.1 | 126.1 | 152.6 | -59.4 | -164.5 | 106.7 | 0 | 0 | 121.8 | ||||
| 475 | K | 30.2 | Very low | 30.6 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | -172.3 | 125.2 | 92.1 | -99.8 | 179.3 | 179.6 | 164.5 | 0 | 115.6 | |||||
| 476 | T | 29.5 | Very low | 31.3 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 66% | 0.663 | 81% | 0.808 | S | S | * | * | trans | 48.9 | 112.4 | 135.5 | -23.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 477 | Q | 31.9 | Very low | 31.8 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | -173.4 | 138.8 | 102.3 | -96.2 | 168.9 | 37.4 | 0 | 0 | 113.8 | |||||
| 478 | Q | 30.2 | Very low | 32.8 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -28.7 | 142.4 | 159.9 | -63.2 | 155.8 | -9.4 | 0 | 0 | 113.7 | ||||
| 479 | T | 27.5 | Very low | 33.4 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | -161.3 | 153 | 70.2 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 480 | R | 29.4 | Very low | 34 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -82.4 | 149.7 | -174.1 | -54.9 | 165.9 | 173.1 | 170.6 | -5.2 | 113.3 | ||||
| 481 | V | 29.9 | Very low | 34.5 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | -144 | 138.2 | 124.4 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 482 | S | 33.5 | Very low | 34.9 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -109.2 | 155.4 | 177.5 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 483 | P | 45.7 | Very low | 35 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 155.5 | -169.9 | 33.9 | -36.3 | 0 | 0 | 0 | 113.4 | ||||
| 484 | A | 34.8 | Very low | 35.1 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | -84 | 122 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 485 | V | 37.8 | Very low | 35 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | -131.5 | 144.4 | 171.2 | 176.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 486 | L | 43.3 | Very low | 34.9 | Very low | 167 Ų | 167 | 147 Ų | 147 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -59.6 | 144 | -168.4 | -72.3 | 145.7 | 0 | 0 | 0 | 114.2 | ||||
| 487 | L | 38.1 | Very low | 35 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -81.7 | 113.3 | 176.1 | -68.5 | 166.1 | 0 | 0 | 0 | 111.1 | ||||
| 488 | S | 47.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -116 | 136 | 158.5 | -68.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 489 | P | 43.6 | Very low | 34.6 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 151 | 178.7 | -21.5 | 34.1 | 0 | 0 | 0 | 113.2 | ||
| 490 | P | 41.8 | Very low | 35.1 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 144.8 | -164.1 | 34 | -35.9 | 0 | 0 | 0 | 114.4 | ||
| 491 | Q | 36.5 | Very low | 35 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 125.7 | 158.2 | -69.8 | -179 | -21.6 | 0 | 0 | 108.9 | C493 | Q491-C493 PolarHBondContact O-N 2.63Š|
| 492 | Q | 34 | Very low | 34.8 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78 | 120.1 | 175.9 | -70.5 | -178.4 | -93.3 | 0 | 0 | 110.7 | ||
| 493 | C | 28.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -114.5 | 97.3 | 163.9 | -71 | 0 | 0 | 0 | 0 | 108.3 | Q491 N495 | Q491-C493 PolarHBondContact O-N 2.63Å; C493-N495 PolarHBondContact O-N 2.75Å | ||
| 494 | D | 32 | Very low | 33.6 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -79 | 118.4 | 171.1 | -78.7 | -43.3 | 0 | 0 | 0 | 110.1 | ||||
| 495 | N | 29.9 | Very low | 33.5 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 67% | 0.668 | 81% | 0.808 | S | S | * | * | trans | -117.4 | 115.4 | 176.9 | -178.8 | 12.3 | 0 | 0 | 0 | 108.8 | C493 | C493-N495 PolarHBondContact O-N 2.75Š| ||
| 496 | W | 27.9 | Very low | 33.7 | Very low | 217 Ų | 217 | 140.3 Ų | 140.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -128.7 | 94.4 | 168.6 | -76.1 | 105.6 | 0 | 0 | 0 | 110.1 | ||||
| 497 | Q | 30.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -83 | 129.4 | 156.5 | -67.9 | -169.5 | 1.3 | 0 | 0 | 109.3 | ||||
| 498 | Q | 29.3 | Very low | 32.7 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -130.2 | 139.5 | 154.3 | -69.4 | -167.2 | 12.4 | 0 | 0 | 109.2 | ||||
| 499 | S | 25.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -106.9 | 175.7 | 176.8 | -45 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 500 | P | 37.7 | Very low | 30.8 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -129.6 | 160.4 | -55.9 | 36.3 | -22.7 | 0 | 0 | 0 | 113 | |||||
| 501 | G | 27.1 | Very low | 30.1 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | 90.3 | 108 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 502 | G | 25.2 | Very low | 29.6 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -177.7 | 51.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 503 | H | 27.2 | Very low | 30.1 | Very low | 194 Ų | 194 | 141 Ų | 141 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | 73.9 | 150.5 | 165.1 | -62.4 | -85.5 | 0 | 0 | 0 | 121.6 | ||||
| 504 | A | 27.7 | Very low | 29.9 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 77.4 | 85 | 166.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 505 | L | 32.5 | Very low | 29.6 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | 13.3 | 158.4 | 128.9 | -66.1 | 173.4 | 0 | 0 | 0 | 121.7 | |||||
| 506 | P | 42.2 | Very low | 29.6 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -138.7 | 161.2 | 4.2 | 27.1 | -2.5 | 0 | 0 | 0 | 118.9 | ||||
| 507 | L | 30.8 | Very low | 29.6 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 51.8 | 109.1 | 136.4 | -61 | 166.8 | 0 | 0 | 0 | 123.9 | ||||
| 508 | Q | 28.5 | Very low | 29.4 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | 62.8 | 90.4 | 108.6 | -145.5 | 173.5 | 29.9 | 0 | 0 | 121.9 | |||||
| 509 | R | 26 | Very low | 29.3 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | 27.7 | 120.4 | 125.8 | -143.1 | -161.6 | -166.9 | -168 | 8.5 | 120.7 | |||||
| 510 | R | 25.9 | Very low | 29.5 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | 91.3 | 140.3 | 134.6 | -122.6 | -166.7 | -119.4 | -101.2 | 3.2 | 121.3 | ||||
| 511 | L | 26.2 | Very low | 29 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 71% | 0.707 | 79% | 0.792 | S | S | * | * | trans | 78.4 | 94.1 | 155.4 | -57.5 | 176.6 | 0 | 0 | 0 | 119.9 | ||||
| 512 | S | 25.9 | Very low | 29 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 58.2 | 166.9 | 110.5 | 79.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 513 | P | 45.2 | Very low | 29.2 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | -118.8 | 160.6 | -120.4 | 34.8 | -16.7 | 0 | 0 | 0 | 115.5 | |||||
| 514 | S | 25.3 | Very low | 29.3 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -165.2 | 139.7 | 150.6 | -119.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 515 | D | 26 | Very low | 29.3 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 40.8 | 132.4 | 142.5 | -51.6 | -58.9 | 0 | 0 | 0 | 121.9 | ||||
| 516 | T | 28.7 | Very low | 29 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -139.9 | 99.3 | 149 | -41.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 517 | Q | 28.8 | Very low | 28.1 | Very low | 188 Ų | 188 | 154.2 Ų | 154.2 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -89.7 | 129.3 | 172.6 | -169.7 | -176.6 | 20.5 | 0 | 0 | 109.6 | ||||
| 518 | R | 25.6 | Very low | 28.1 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | trans | -145.8 | 104.7 | 161.1 | -124.5 | 179 | -174.4 | -129 | 2.4 | 107.2 | ||||
| 519 | S | 27.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | 75.9 | 132.5 | 91.1 | -147.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 520 | R | 30.6 | Very low | 28.2 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | cis | -158.5 | -177.7 | 19.9 | -156.3 | 172.9 | 179.2 | 172.9 | -0.7 | 110.7 | ||||
| 521 | E | 26.2 | Very low | 28.2 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 86.7 | 140.2 | 167.1 | -63.3 | 177.8 | -157.9 | 0 | 0 | 117.2 | ||||
| 522 | N | 27.3 | Very low | 28.4 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | cis | -160.6 | 154.9 | -27.9 | -152.2 | 10.1 | 0 | 0 | 0 | 110.5 | ||||
| 523 | V | 30.1 | Very low | 28.5 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 58% | 0.582 | 77% | 0.774 | S | S | * | * | trans | 67.7 | 126 | 149.2 | 163.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 524 | Q | 29.1 | Very low | 27.7 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | 63.1 | 151.2 | 153.4 | -73.9 | 159.8 | -3.2 | 0 | 0 | 120 | ||||
| 525 | S | 26.5 | Very low | 28 | Very low | 89 Ų | 89 | 153.8 Ų | 153.8 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | cis | -172.4 | 158.1 | -23.3 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 526 | R | 26.3 | Very low | 28 | Very low | 229 Ų | 229 | 159 Ų | 159 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 64.4 | 110.9 | 155.7 | -75.7 | 175.4 | 165.5 | -168.3 | -6.8 | 117 | ||||
| 527 | V | 24.2 | Very low | 28 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | 89.2 | 125.3 | 75 | 159.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 528 | S | 29.5 | Very low | 27.9 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 69.6 | 142.2 | 160.3 | -78.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 529 | T | 29.2 | Very low | 28.1 | Very low | 110 Ų | 110 | 148 Ų | 148 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | 158.7 | 137.3 | -26.1 | 33 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 530 | S | 27.8 | Very low | 28.1 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | 66.8 | 142.8 | 156.2 | -52.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 531 | G | 25.6 | Very low | 28.1 | Very low | 62 Ų | 62 | 142.7 Ų | 142.7 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | cis | 153 | 161.6 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 532 | L | 30.2 | Very low | 28.2 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 64.8 | 124.6 | 167.7 | -46.5 | 168.4 | 0 | 0 | 0 | 114.6 | ||||
| 533 | T | 30 | Very low | 28.5 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | -177.7 | 153.3 | 67 | 32.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 534 | R | 27.5 | Very low | 29.5 | Very low | 227 Ų | 227 | 142.7 Ų | 142.7 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | 58 | 107.9 | 135 | -173.6 | 172.7 | -83.9 | -146.4 | -3.5 | 121.3 | ||||
| 535 | R | 30.7 | Very low | 29.4 | Very low | 239 Ų | 239 | 139.9 Ų | 139.9 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -8.3 | 130.7 | 137.6 | -66.2 | 174.9 | 160.8 | -163.4 | -6.2 | 117.8 | ||||
| 536 | R | 27 | Very low | 29.6 | Very low | 248 Ų | 248 | 143.1 Ų | 143.1 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | -160.2 | 173.1 | 123.8 | -125.9 | 176.6 | 165.1 | 139.5 | -3.2 | 112.5 | |||||
| 537 | S | 28.5 | Very low | 29.8 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -115 | 175.3 | -154.8 | -41.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 538 | V | 27.7 | Very low | 30.6 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 76.1 | 134.3 | 153.3 | -61 | 0 | 0 | 0 | 0 | 122 | ||||
| 539 | S | 28.2 | Very low | 30.9 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 99.9 | 109 | 143.4 | -62.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 540 | S | 28.3 | Very low | 31.6 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 69.6 | 114.5 | 130 | 60.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 541 | S | 30.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | 53.6 | 110.3 | 134.6 | 63.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 542 | S | 28.4 | Very low | 34.5 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | 177.5 | 151.1 | 104.4 | 37.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 543 | L | 33.1 | Very low | 36.5 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -84.4 | 176.8 | 170.5 | -63.2 | 167.3 | 0 | 0 | 0 | 109.6 | ||||
| 544 | P | 50.3 | Low | 38.4 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -130.7 | 169.9 | -5.5 | 39.2 | -24 | 0 | 0 | 0 | 114.5 | ||||
| 545 | S | 27 | Very low | 40.7 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -159.9 | 150.2 | 140.8 | -159 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 546 | N | 32 | Very low | 43.2 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -89 | 139 | 178.1 | -63.7 | -56.4 | 0 | 0 | 0 | 111 | ||||
| 547 | E | 30.1 | Very low | 46.1 | Very low | 184 Ų | 184 | 115.2 Ų | 115.2 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -164.8 | 157.8 | 153 | -103.3 | -94.1 | 108.8 | 0 | 0 | 108.1 | ||||
| 548 | P | 41.2 | Very low | 48.9 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -80.3 | 155.8 | -152.7 | 30.9 | -36 | 0 | 0 | 0 | 114.7 | L550 | P548-L550 PolarHBondContact O-N 2.84Š| ||
| 549 | A | 35.7 | Very low | 51.7 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -65.2 | 100.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L551 | A549-L551 PolarHBondContact O-N 3.47Š| ||
| 550 | L | 42.9 | Very low | 54.7 | Low | 168 Ų | 168 | 112.5 Ų | 112.5 | 88% | 0.88 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.4 | 159.3 | -77.8 | 163.1 | 0 | 0 | 0 | 108.6 | P548 | P548-L550 PolarHBondContact O-N 2.84Š|
| 551 | L | 51.8 | Low | 57.7 | Low | 163 Ų | 163 | 111.9 Ų | 111.9 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 129.6 | 173.3 | -75.5 | 161.2 | 0 | 0 | 0 | 109.5 | A549 S553 | A549-L551 PolarHBondContact O-N 3.47Å; L551-S553 PolarHBondContact O-N 3.38Å |
| 552 | P | 62.9 | Low | 60.6 | Low | 75 Ų | 75 | 111.2 Ų | 111.2 | 49% | 0.487 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 129.5 | 176.2 | 25.2 | -32.5 | 0 | 0 | 0 | 109.3 | M557 | P552-M557 HydrophobicContact CG-CE 4.42Š|
| 553 | S | 71.8 | Confident | 63.6 | Low | 71 Ų | 71 | 108.8 Ų | 108.8 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 141.6 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | L551 A555 A556 M557 | L551-S553 PolarHBondContact O-N 3.38Å; S553-A555 PolarHBondContact O-N 3.45Å; S553-A556 WeakPolarHBondContact O-CA 3.26Å; S553-A556 WeakPolarHBondContact O-CB 3.4Å; S553-A556 PolarHBondContact O-N 2.83Å; S553-M557 PolarHBondContact O-N 2.84Å; S553-M557 VanDerWaalsContact O-N 3.13Å |
| 554 | P | 69.9 | Low | 66.5 | Low | 98 Ų | 98 | 104.8 Ų | 104.8 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.3 | -28.3 | -179.3 | 21 | -33.4 | 0 | 0 | 0 | 113 | L558 | P554-L558 WeakPolarHBondContact O-CB 3.39Å; P554-L558 VanDerWaalsContact O-CG 3.28Å; P554-L558 WeakPolarHBondContact O-CG 3.46Å; P554-L558 PolarHBondContact O-N 3.33Å |
| 555 | A | 76.6 | Confident | 68.6 | Low | 69 Ų | 69 | 105.6 Ų | 105.6 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.4 | -36.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S553 A559 | S553-A555 PolarHBondContact O-N 3.45Å; A555-A559 WeakPolarHBondContact O-CB 3.39Å; A555-A559 PolarHBondContact O-N 3.17Å |
| 556 | A | 82.6 | Confident | 71.7 | Confident | 54 Ų | 54 | 106.1 Ų | 106.1 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.5 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S553 A559 E560 | S553-A556 WeakPolarHBondContact O-CA 3.26Å; S553-A556 WeakPolarHBondContact O-CB 3.4Å; S553-A556 PolarHBondContact O-N 2.83Å; A556-A559 WeakPolarHBondContact O-CB 3.37Å; A556-A559 PolarHBondContact O-N 2.86Å; A556-E560 PolarHBondContact O-N 2.95Å |
| 557 | M | 87.9 | Confident | 74.7 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 47% | 0.468 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62 | -42.5 | 174.3 | -171.6 | -174 | -64 | 0 | 0 | 111.7 | P552 S553 E560 I561 | P552-M557 HydrophobicContact CG-CE 4.42Å; S553-M557 PolarHBondContact O-N 2.84Å; S553-M557 VanDerWaalsContact O-N 3.13Å; M557-E560 PolarHBondContact O-N 2.74Å; M557-I561 HydrophobicContact CG-CD1 4.09Å; M557-I561 WeakPolarHBondContact O-CD1 3.41Å; M557-I561 VanDerWaalsContact O-CG1 3.25Å; M557-I561 WeakPolarHBondContact O-CG1 3.25Å; M557-I561 PolarHBondContact O-N 2.88Å |
| 558 | L | 88.5 | Confident | 77.8 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.9 | -39.5 | 174.6 | -73.3 | 170.4 | 0 | 0 | 0 | 112.2 | P554 I561 T562 | P554-L558 WeakPolarHBondContact O-CB 3.39Å; P554-L558 VanDerWaalsContact O-CG 3.28Å; P554-L558 WeakPolarHBondContact O-CG 3.46Å; P554-L558 PolarHBondContact O-N 3.33Å; L558-I561 PolarHBondContact O-N 2.91Å; L558-T562 WeakPolarHBondContact O-CG2 3.45Å; L558-T562 PolarHBondContact O-N 3.47Å; L558-T562 PolarHBondContact O-OG1 3.35Å |
| 559 | A | 85.5 | Confident | 80.3 | Confident | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | A555 A556 T562 E563 | A555-A559 WeakPolarHBondContact O-CB 3.39Å; A555-A559 PolarHBondContact O-N 3.17Å; A556-A559 WeakPolarHBondContact O-CB 3.37Å; A556-A559 PolarHBondContact O-N 2.86Å; A559-T562 WeakPolarHBondContact CA-OG1 3.49Å; A559-T562 PolarHBondContact O-N 2.77Å; A559-T562 PolarHBondContact O-OG1 2.8Å; A559-E563 PolarHBondContact O-N 2.69Å |
| 560 | E | 90.9 | Very high | 83 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 175.2 | -173.3 | 173.9 | -171.5 | 0 | 0 | 112 | A556 M557 T562 E563 L564 | A556-E560 PolarHBondContact O-N 2.95Å; M557-E560 PolarHBondContact O-N 2.74Å; E560-T562 VanDerWaalsContact C-N 3.33Å; E560-T562 PolarHBondContact O-N 3.41Å; E560-E563 PolarHBondContact O-N 2.58Å; E560-L564 HydrophobicContact CG-CD1 4.02Å; E560-L564 HydrophobicContact CG-CG 4.43Å; E560-L564 WeakPolarHBondContact O-CB 3.24Å; E560-L564 WeakPolarHBondContact O-CG 3.49Å; E560-L564 PolarHBondContact O-N 2.89Å |
| 561 | I | 91.6 | Very high | 85.3 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 173.9 | -69.9 | 163.2 | 0 | 0 | 0 | 111.2 | M557 L558 K565 | M557-I561 HydrophobicContact CG-CD1 4.09Å; M557-I561 WeakPolarHBondContact O-CD1 3.41Å; M557-I561 VanDerWaalsContact O-CG1 3.25Å; M557-I561 WeakPolarHBondContact O-CG1 3.25Å; M557-I561 PolarHBondContact O-N 2.88Å; L558-I561 PolarHBondContact O-N 2.91Å; I561-K565 VanDerWaalsContact O-CB 3.28Å; I561-K565 WeakPolarHBondContact O-CB 3.44Å; I561-K565 PolarHBondContact O-N 3.21Å |
| 562 | T | 91.2 | Very high | 87.1 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.2 | -37 | 177.2 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | L558 A559 E560 K565 R566 | L558-T562 WeakPolarHBondContact O-CG2 3.45Å; L558-T562 PolarHBondContact O-N 3.47Å; L558-T562 PolarHBondContact O-OG1 3.35Å; A559-T562 WeakPolarHBondContact CA-OG1 3.49Å; A559-T562 PolarHBondContact O-N 2.77Å; A559-T562 PolarHBondContact O-OG1 2.8Å; E560-T562 VanDerWaalsContact C-N 3.33Å; E560-T562 PolarHBondContact O-N 3.41Å; T562-K565 PolarHBondContact O-N 2.91Å; T562-R566 WeakPolarHBondContact O-CB 3.26Å; T562-R566 PolarHBondContact O-N 3.21Å |
| 563 | E | 93.1 | Very high | 88.1 | Confident | 72 Ų | 72 | 88 Ų | 88 | 34% | 0.336 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.1 | -42.6 | 176.9 | 177.2 | 52.6 | -154.7 | 0 | 0 | 111.6 | A559 E560 K565 R566 Q567 | A559-E563 PolarHBondContact O-N 2.69Å; E560-E563 PolarHBondContact O-N 2.58Å; E563-K565 VanDerWaalsContact C-N 3.29Å; E563-K565 PolarHBondContact O-N 3Å; E563-R566 WeakPolarHBondContact O-CB 3.39Å; E563-R566 PolarHBondContact O-N 3Å; E563-R566 IonicContact OE1-CZ 3.8Å; E563-R566 IonicContact OE1-NE 2.69Å; E563-R566 PolarHBondContact OE1-NE 3.32Å; E563-R566 IonicContact OE1-NH2 3.45Å; E563-R566 PolarHBondContact OE1-NH2 3.25Å; E563-R566 IonicContact OE2-CZ 2.6Å; E563-R566 IonicContact OE2-NE 2.58Å; E563-R566 PolarHBondContact OE2-NE 2.92Å; E563-R566 IonicContact OE2-NH2 2.63Å; E563-Q567 WeakPolarHBondContact O-CG 3.48Å; E563-Q567 PolarHBondContact O-N 3.29Å; E563-Q567 PolarHBondContact OE1-NE2 3.33Å |
| 564 | L | 93.6 | Very high | 88.9 | Confident | 82 Ų | 82 | 90 Ų | 90 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 172.6 | -73.3 | 171.9 | 0 | 0 | 0 | 112.2 | E560 N568 | E560-L564 HydrophobicContact CG-CD1 4.02Å; E560-L564 HydrophobicContact CG-CG 4.43Å; E560-L564 WeakPolarHBondContact O-CB 3.24Å; E560-L564 WeakPolarHBondContact O-CG 3.49Å; E560-L564 PolarHBondContact O-N 2.89Å; L564-N568 WeakPolarHBondContact O-CB 3.34Å; L564-N568 PolarHBondContact O-N 2.9Å; L564-N568 PolarHBondContact O-ND2 3.07Å |
| 565 | K | 93 | Very high | 89.5 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.7 | -48.1 | 172.5 | -174.4 | 176.8 | -179.9 | -179.8 | 0 | 111 | I561 T562 E563 Q567 N568 D569 | I561-K565 VanDerWaalsContact O-CB 3.28Å; I561-K565 WeakPolarHBondContact O-CB 3.44Å; I561-K565 PolarHBondContact O-N 3.21Å; T562-K565 PolarHBondContact O-N 2.91Å; E563-K565 VanDerWaalsContact C-N 3.29Å; E563-K565 PolarHBondContact O-N 3Å; K565-Q567 VanDerWaalsContact C-N 3.29Å; K565-Q567 PolarHBondContact O-N 2.92Å; K565-N568 PolarHBondContact O-N 3.14Å; K565-D569 PolarHBondContact O-N 3.48Å |
| 566 | R | 93.1 | Very high | 89.4 | Confident | 131 Ų | 131 | 90.7 Ų | 90.7 | 49% | 0.494 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 175.8 | -167.7 | -163.6 | 68.6 | 73.7 | 2.5 | 112.1 | T562 E563 L570 | T562-R566 WeakPolarHBondContact O-CB 3.26Å; T562-R566 PolarHBondContact O-N 3.21Å; E563-R566 WeakPolarHBondContact O-CB 3.39Å; E563-R566 PolarHBondContact O-N 3Å; E563-R566 IonicContact OE1-CZ 3.8Å; E563-R566 IonicContact OE1-NE 2.69Å; E563-R566 PolarHBondContact OE1-NE 3.32Å; E563-R566 IonicContact OE1-NH2 3.45Å; E563-R566 PolarHBondContact OE1-NH2 3.25Å; E563-R566 IonicContact OE2-CZ 2.6Å; E563-R566 IonicContact OE2-NE 2.58Å; E563-R566 PolarHBondContact OE2-NE 2.92Å; E563-R566 IonicContact OE2-NH2 2.63Å; R566-L570 WeakPolarHBondContact O-CB 3.49Å; R566-L570 PolarHBondContact O-N 3.37Å; R566-L570 VanDerWaalsContact O-N 3.07Å |
| 567 | Q | 95.4 | Very high | 88.9 | Confident | 81 Ų | 81 | 94 Ų | 94 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 175.9 | -70.2 | 175.8 | 14.8 | 0 | 0 | 112.2 | E563 K565 D569 L570 I571 | E563-Q567 WeakPolarHBondContact O-CG 3.48Å; E563-Q567 PolarHBondContact O-N 3.29Å; E563-Q567 PolarHBondContact OE1-NE2 3.33Å; K565-Q567 VanDerWaalsContact C-N 3.29Å; K565-Q567 PolarHBondContact O-N 2.92Å; Q567-D569 VanDerWaalsContact C-N 3.35Å; Q567-D569 PolarHBondContact O-N 3.05Å; Q567-L570 PolarHBondContact O-N 2.88Å; Q567-I571 WeakPolarHBondContact O-CG1 3.2Å; Q567-I571 PolarHBondContact O-N 3.4Å |
| 568 | N | 95.3 | Very high | 87.7 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.7 | -88.5 | -76 | 0 | 0 | 0 | 112.5 | L564 K565 L570 I571 K572 | L564-N568 WeakPolarHBondContact O-CB 3.34Å; L564-N568 PolarHBondContact O-N 2.9Å; L564-N568 PolarHBondContact O-ND2 3.07Å; K565-N568 PolarHBondContact O-N 3.14Å; N568-L570 VanDerWaalsContact C-N 3.35Å; N568-I571 PolarHBondContact O-N 3.03Å; N568-K572 VanDerWaalsContact O-CG 3.31Å; N568-K572 WeakPolarHBondContact O-CG 3.31Å; N568-K572 PolarHBondContact O-N 2.98Å |
| 569 | D | 92.9 | Very high | 86.7 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.8 | -32 | 179.8 | -65.5 | -24.8 | 0 | 0 | 0 | 111.7 | K565 Q567 K572 A573 | K565-D569 PolarHBondContact O-N 3.48Å; Q567-D569 VanDerWaalsContact C-N 3.35Å; Q567-D569 PolarHBondContact O-N 3.05Å; D569-K572 PolarHBondContact O-N 2.78Å; D569-K572 IonicContact OD1-NZ 3.78Å; D569-K572 PolarHBondContact OD1-NZ 3.32Å; D569-A573 WeakPolarHBondContact O-CB 3.45Å; D569-A573 PolarHBondContact O-N 3.26Å |
| 570 | L | 93.1 | Very high | 85.2 | Confident | 86 Ų | 86 | 97.1 Ų | 97.1 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 168.4 | -179.5 | 62.2 | 0 | 0 | 0 | 112.3 | R566 Q567 N568 A573 Q574 | R566-L570 WeakPolarHBondContact O-CB 3.49Å; R566-L570 PolarHBondContact O-N 3.37Å; R566-L570 VanDerWaalsContact O-N 3.07Å; Q567-L570 PolarHBondContact O-N 2.88Å; N568-L570 VanDerWaalsContact C-N 3.35Å; L570-A573 PolarHBondContact O-N 2.88Å; L570-Q574 WeakPolarHBondContact O-CG 3.26Å; L570-Q574 PolarHBondContact O-N 3.47Å |
| 571 | I | 91.1 | Very high | 83.3 | Confident | 86 Ų | 86 | 99 Ų | 99 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.4 | -68.4 | 163.6 | 0 | 0 | 0 | 110.6 | Q567 N568 A573 Q574 L575 | Q567-I571 WeakPolarHBondContact O-CG1 3.2Å; Q567-I571 PolarHBondContact O-N 3.4Å; N568-I571 PolarHBondContact O-N 3.03Å; I571-A573 VanDerWaalsContact C-N 3.33Å; I571-A573 PolarHBondContact O-N 3.4Å; I571-Q574 PolarHBondContact O-N 3.33Å; I571-L575 HydrophobicContact CG2-CD1 3.94Å; I571-L575 HydrophobicContact CG2-CG 4.38Å; I571-L575 WeakPolarHBondContact O-CB 3.41Å; I571-L575 VanDerWaalsContact O-CG 3.32Å; I571-L575 WeakPolarHBondContact O-CG 3.33Å; I571-L575 PolarHBondContact O-N 3.42Å |
| 572 | K | 89.8 | Confident | 81.3 | Confident | 123 Ų | 123 | 97.7 Ų | 97.7 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 174.5 | -71.2 | 170.9 | -164 | 159.6 | 0 | 112 | N568 D569 L575 S576 | N568-K572 VanDerWaalsContact O-CG 3.31Å; N568-K572 WeakPolarHBondContact O-CG 3.31Å; N568-K572 PolarHBondContact O-N 2.98Å; D569-K572 PolarHBondContact O-N 2.78Å; D569-K572 IonicContact OD1-NZ 3.78Å; D569-K572 PolarHBondContact OD1-NZ 3.32Å; K572-L575 PolarHBondContact O-N 3.36Å; K572-S576 PolarHBondContact O-N 2.78Å; K572-S576 PolarHBondContact O-OG 2.96Å |
| 573 | A | 83.1 | Confident | 78.9 | Confident | 39 Ų | 39 | 98.3 Ų | 98.3 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D569 L570 I571 S576 Q577 | D569-A573 WeakPolarHBondContact O-CB 3.45Å; D569-A573 PolarHBondContact O-N 3.26Å; L570-A573 PolarHBondContact O-N 2.88Å; I571-A573 VanDerWaalsContact C-N 3.33Å; I571-A573 PolarHBondContact O-N 3.4Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 2.89Å; A573-Q577 VanDerWaalsContact O-CG 3.29Å; A573-Q577 WeakPolarHBondContact O-CG 3.42Å; A573-Q577 PolarHBondContact O-N 2.97Å; A573-Q577 VanDerWaalsContact O-N 3.07Å |
| 574 | Q | 89.2 | Confident | 76.1 | Confident | 113 Ų | 113 | 98.5 Ų | 98.5 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 174.5 | -71.7 | 174.4 | -10.2 | 0 | 0 | 111.9 | L570 I571 Q577 A578 | L570-Q574 WeakPolarHBondContact O-CG 3.26Å; L570-Q574 PolarHBondContact O-N 3.47Å; I571-Q574 PolarHBondContact O-N 3.33Å; Q574-Q577 PolarHBondContact O-N 3.29Å; Q574-A578 WeakPolarHBondContact O-CB 3.33Å; Q574-A578 PolarHBondContact O-N 2.92Å |
| 575 | L | 82.3 | Confident | 73.6 | Confident | 112 Ų | 112 | 101.6 Ų | 101.6 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -35.7 | 176.3 | -71.3 | 173.4 | 0 | 0 | 0 | 112.4 | I571 K572 A578 K579 | I571-L575 HydrophobicContact CG2-CD1 3.94Å; I571-L575 HydrophobicContact CG2-CG 4.38Å; I571-L575 WeakPolarHBondContact O-CB 3.41Å; I571-L575 VanDerWaalsContact O-CG 3.32Å; I571-L575 WeakPolarHBondContact O-CG 3.33Å; I571-L575 PolarHBondContact O-N 3.42Å; K572-L575 PolarHBondContact O-N 3.36Å; L575-A578 PolarHBondContact O-N 3.4Å; L575-K579 WeakPolarHBondContact O-CB 3.18Å; L575-K579 PolarHBondContact O-N 2.89Å |
| 576 | S | 74.2 | Confident | 70.8 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 49% | 0.49 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68 | -40.3 | 175.4 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | K572 A573 K579 S580 | K572-S576 PolarHBondContact O-N 2.78Å; K572-S576 PolarHBondContact O-OG 2.96Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 2.89Å; S576-K579 PolarHBondContact O-N 3.45Å; S576-K579 VanDerWaalsContact O-N 3.13Å; S576-S580 PolarHBondContact O-N 3.38Å; S576-S580 PolarHBondContact O-OG 3.35Å |
| 577 | Q | 71.6 | Confident | 68.2 | Low | 124 Ų | 124 | 96.2 Ų | 96.2 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.4 | -42.7 | 173.2 | -70.5 | 172.3 | 16.5 | 0 | 0 | 112.2 | A573 Q574 K579 S580 L581 | A573-Q577 VanDerWaalsContact O-CG 3.29Å; A573-Q577 WeakPolarHBondContact O-CG 3.42Å; A573-Q577 PolarHBondContact O-N 2.97Å; A573-Q577 VanDerWaalsContact O-N 3.07Å; Q574-Q577 PolarHBondContact O-N 3.29Å; Q577-K579 VanDerWaalsContact C-N 3.27Å; Q577-K579 PolarHBondContact O-N 3.45Å; Q577-S580 WeakPolarHBondContact CA-OG 3.24Å; Q577-S580 PolarHBondContact O-N 2.89Å; Q577-S580 PolarHBondContact O-OG 3.48Å; Q577-L581 PolarHBondContact O-N 2.89Å |
| 578 | A | 63.3 | Low | 65.2 | Low | 60 Ų | 60 | 101.1 Ų | 101.1 | 50% | 0.496 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.5 | -33.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q574 L575 L581 G582 | Q574-A578 WeakPolarHBondContact O-CB 3.33Å; Q574-A578 PolarHBondContact O-N 2.92Å; L575-A578 PolarHBondContact O-N 3.4Å; A578-L581 PolarHBondContact O-N 3.29Å; A578-G582 PolarHBondContact O-N 2.97Å |
| 579 | K | 67.6 | Low | 62.2 | Low | 173 Ų | 173 | 101.6 Ų | 101.6 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.3 | -33.4 | 179 | -145.8 | 164.7 | -172.9 | 178.6 | 0 | 112.8 | L575 S576 Q577 L581 G582 | L575-K579 WeakPolarHBondContact O-CB 3.18Å; L575-K579 PolarHBondContact O-N 2.89Å; S576-K579 PolarHBondContact O-N 3.45Å; S576-K579 VanDerWaalsContact O-N 3.13Å; Q577-K579 VanDerWaalsContact C-N 3.27Å; Q577-K579 PolarHBondContact O-N 3.45Å; K579-L581 VanDerWaalsContact C-N 3.27Å; K579-L581 PolarHBondContact O-N 3.28Å; K579-G582 PolarHBondContact O-N 2.87Å |
| 580 | S | 53.6 | Low | 59.3 | Low | 92 Ų | 92 | 106.6 Ų | 106.6 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.3 | -23.6 | 171 | 45.1 | 0 | 0 | 0 | 0 | 114 | S576 Q577 | S576-S580 PolarHBondContact O-N 3.38Å; S576-S580 PolarHBondContact O-OG 3.35Å; Q577-S580 WeakPolarHBondContact CA-OG 3.24Å; Q577-S580 PolarHBondContact O-N 2.89Å; Q577-S580 PolarHBondContact O-OG 3.48Å |
| 581 | L | 52.5 | Low | 56.2 | Low | 157 Ų | 157 | 105.7 Ų | 105.7 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8 | 176.7 | -73.7 | 162.9 | 0 | 0 | 0 | 113.7 | Q577 A578 K579 | Q577-L581 PolarHBondContact O-N 2.89Å; A578-L581 PolarHBondContact O-N 3.29Å; K579-L581 VanDerWaalsContact C-N 3.27Å; K579-L581 PolarHBondContact O-N 3.28Å |
| 582 | G | 48.2 | Very low | 53.3 | Low | 64 Ų | 64 | 112.7 Ų | 112.7 | 66% | 0.66 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -101.1 | 3.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A578 K579 G584 | A578-G582 PolarHBondContact O-N 2.97Å; K579-G582 PolarHBondContact O-N 2.87Å; G582-G584 PolarHBondContact O-N 2.96Å |
| 583 | S | 41.1 | Very low | 50.4 | Low | 106 Ų | 106 | 112.8 Ų | 112.8 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | trans | -96.4 | 70.6 | -171.7 | -167.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 584 | G | 34 | Very low | 47.9 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | -82.5 | 127.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G582 | G582-G584 PolarHBondContact O-N 2.96Š| ||
| 585 | D | 41.7 | Very low | 45.1 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -84.3 | 148.4 | -161.3 | -178.7 | 39.3 | 0 | 0 | 0 | 116 | ||||
| 586 | A | 35 | Very low | 42.6 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | trans | 174.6 | 113.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 587 | G | 37.2 | Very low | 40.6 | Very low | 55 Ų | 55 | 127.9 Ų | 127.9 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | cis | 152.6 | 143.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 588 | L | 33.4 | Very low | 38.5 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | trans | -174.8 | 95.7 | 156.6 | -110.2 | 164.3 | 0 | 0 | 0 | 112.2 | ||||
| 589 | A | 31.3 | Very low | 36.6 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | -158.5 | 114.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 590 | D | 32.7 | Very low | 35.5 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | trans | 46.4 | 156.9 | 154 | -86.6 | -42.7 | 0 | 0 | 0 | 124.5 | ||||
| 591 | G | 28.2 | Very low | 34.3 | Very low | 66 Ų | 66 | 125.8 Ų | 125.8 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | 116.8 | 50.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 592 | R | 29.7 | Very low | 33.1 | Very low | 233 Ų | 233 | 124 Ų | 124 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | 29.9 | 134.6 | 136.8 | -148.5 | -174.5 | -173.7 | -164.6 | 2.9 | 120.8 | ||||
| 593 | N | 29.8 | Very low | 32.1 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | trans | 107.9 | 132.1 | 146.9 | -96.7 | 21.9 | 0 | 0 | 0 | 121.9 | ||||
| 594 | E | 30.2 | Very low | 31.5 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | 75.5 | 102.1 | 147.2 | -68.2 | -53.7 | 125.2 | 0 | 0 | 123.3 | ||||
| 595 | R | 29.7 | Very low | 31.3 | Very low | 217 Ų | 217 | 124.5 Ų | 124.5 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | 100.6 | 132.8 | 117.1 | -141.2 | -179.3 | -169.2 | -143.1 | 4 | 120.4 | |||||
| 596 | S | 30.7 | Very low | 30.7 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | 80.8 | 114.9 | 162.9 | -50 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 597 | K | 31.2 | Very low | 30.5 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | 57.1 | 126.7 | 96.1 | -61.9 | 174.2 | 179.4 | -177.3 | 0 | 112.8 | |||||
| 598 | S | 28.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -167.8 | 157.9 | 5.1 | 41.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 599 | G | 23 | Very low | 29.9 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -78.7 | -155.2 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 600 | P | 44.3 | Very low | 29.7 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | cis | -145.2 | -176.9 | -2.8 | 43.7 | -25.9 | 0 | 0 | 0 | 116.2 | ||||
| 601 | A | 28.1 | Very low | 29.7 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 66.2 | 166.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 602 | S | 27.8 | Very low | 29.8 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | cis | -160.1 | 168.6 | 5 | -157.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 603 | G | 27.4 | Very low | 29.5 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 84.4 | 119.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 604 | A | 28.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 95% | 0.95 | 78% | 0.783 | S | S | * | * | cis | 87.2 | 129.8 | 29.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 605 | G | 29.9 | Very low | 29.6 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 121.3 | 86.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 606 | E | 28.1 | Very low | 29.4 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | 64.6 | 127.3 | 70.8 | -79.5 | -140.3 | 150.6 | 0 | 0 | 117.8 | |||||
| 607 | R | 31.9 | Very low | 30.1 | Very low | 219 Ų | 219 | 135.3 Ų | 135.3 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 78.8 | 154.7 | 157.7 | -60.1 | 153.8 | -161.7 | -162.7 | 5.6 | 118.4 | ||||
| 608 | K | 28.1 | Very low | 29.8 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | -173.6 | 130 | -28.1 | 176.2 | 178.3 | 176.3 | -175.4 | 0 | 109.3 | ||||
| 609 | M | 29.1 | Very low | 29.8 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | 48.5 | 134 | 158.9 | -68.1 | 178.9 | 164.7 | 0 | 0 | 121.6 | ||||
| 610 | T | 27.4 | Very low | 30.1 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | -165.7 | 163.1 | 108.1 | 17.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 611 | V | 31.4 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -135.8 | 123.8 | -173.4 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 612 | Q | 30.1 | Very low | 29.6 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -154.3 | 132.1 | 156.7 | -57.5 | -169.7 | 44.3 | 0 | 0 | 105.5 | ||||
| 613 | H | 24.2 | Very low | 29.8 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 73% | 0.731 | 79% | 0.791 | S | S | * | * | cis | 100.3 | 92.8 | 28.2 | -162 | 78.7 | 0 | 0 | 0 | 114.9 | ||||
| 614 | L | 32.7 | Very low | 30.1 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | trans | 70 | 138.1 | 149.7 | -75.1 | -171.8 | 0 | 0 | 0 | 123.9 | ||||
| 615 | Q | 28.7 | Very low | 30.3 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 97.2 | 128.7 | 146 | -75.3 | 162.3 | 21.6 | 0 | 0 | 121.8 | ||||
| 616 | S | 26.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -71.3 | 171.4 | 165.6 | -128 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 617 | P | 44.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -151 | 177.6 | 37.3 | 41.2 | -18.4 | 0 | 0 | 0 | 120 | ||||
| 618 | E | 25.2 | Very low | 30.9 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 58.8 | 125.5 | 145.7 | -76 | 174.4 | 143.1 | 0 | 0 | 125.6 | ||||
| 619 | G | 27.6 | Very low | 31.5 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 81.6 | 142.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 620 | T | 30.9 | Very low | 32.3 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | cis | -161.7 | 152 | -8.8 | 16.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 621 | S | 31.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 75.3 | 137.3 | 154 | 76 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 622 | S | 30.1 | Very low | 34.9 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 97.9 | 83.1 | 145.1 | -57.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 623 | A | 30.4 | Very low | 37 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | 48.9 | 109.8 | 124.4 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 624 | S | 34.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | -159.5 | 115.2 | 123.7 | -82 | 0 | 0 | 0 | 0 | 109.8 | A626 | S624-A626 PolarHBondContact O-N 3.32Š| |||
| 625 | Q | 33.5 | Very low | 42.4 | Very low | 193 Ų | 193 | 120 Ų | 120 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -80 | 116.5 | 175.2 | -77.9 | 179.8 | -5.8 | 0 | 0 | 110.4 | ||||
| 626 | A | 30 | Very low | 45.3 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | -126.9 | 106.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | S624 S628 | S624-A626 PolarHBondContact O-N 3.32Å; A626-S628 PolarHBondContact O-N 3.07Å | ||
| 627 | V | 37.6 | Very low | 48.4 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -76.2 | 94.4 | -174.7 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 628 | S | 33.9 | Very low | 50.7 | Low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | -92.2 | 114.4 | 161.4 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | A626 S630 | A626-S628 PolarHBondContact O-N 3.07Å; S628-S630 VanDerWaalsContact C-N 3.29Å; S628-S630 PolarHBondContact O-N 2.85Å | ||
| 629 | S | 42.1 | Very low | 54 | Low | 117 Ų | 117 | 117.5 Ų | 117.5 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -73.5 | 80.4 | 178.5 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | T631 | S629-T631 PolarHBondContact O-N 3.04Š| ||
| 630 | S | 45.8 | Very low | 57.1 | Low | 107 Ų | 107 | 117.2 Ų | 117.2 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | -69.9 | 112.9 | 167.2 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | S628 | S628-S630 VanDerWaalsContact C-N 3.29Å; S628-S630 PolarHBondContact O-N 2.85Å | ||
| 631 | T | 48.4 | Very low | 60.1 | Low | 126 Ų | 126 | 115.6 Ų | 115.6 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 125.8 | 164.4 | 49.2 | 0 | 0 | 0 | 0 | 108 | S629 S633 | S629-T631 PolarHBondContact O-N 3.04Å; T631-S633 PolarHBondContact O-N 2.99Å |
| 632 | P | 64.2 | Low | 63.1 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 48% | 0.481 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 133.4 | 178.6 | 24.9 | -33.3 | 0 | 0 | 0 | 108.8 | Q636 | P632-Q636 HydrophobicContact CB-CB 4.2Å; P632-Q636 HydrophobicContact CB-CG 4.16Å |
| 633 | S | 73.8 | Confident | 66.2 | Low | 70 Ų | 70 | 117.5 Ų | 117.5 | 49% | 0.49 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 147 | 175.3 | 173 | 0 | 0 | 0 | 0 | 109.8 | T631 E635 Q636 R637 | T631-S633 PolarHBondContact O-N 2.99Å; S633-E635 PolarHBondContact O-N 2.84Å; S633-E635 PolarHBondContact OG-N 3.18Å; S633-Q636 CarbonylContact O-C 3.58Å; S633-Q636 WeakPolarHBondContact O-CA 3.43Å; S633-Q636 WeakPolarHBondContact O-CB 3.31Å; S633-Q636 PolarHBondContact O-N 3.44Å; S633-R637 PolarHBondContact O-N 3.22Å |
| 634 | V | 85.2 | Confident | 69.3 | Low | 126 Ų | 126 | 118 Ų | 118 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -53.1 | -34.2 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111 | R637 L638 | V634-R637 PolarHBondContact O-N 2.95Å; V634-L638 WeakPolarHBondContact O-CB 3.43Å; V634-L638 PolarHBondContact O-N 3.42Å |
| 635 | E | 85.8 | Confident | 72.3 | Confident | 139 Ų | 139 | 114.1 Ų | 114.1 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.5 | -44.3 | 172.9 | -175.1 | 173.7 | -164.1 | 0 | 0 | 113 | S633 R637 L638 L639 | S633-E635 PolarHBondContact O-N 2.84Å; S633-E635 PolarHBondContact OG-N 3.18Å; E635-R637 VanDerWaalsContact C-N 3.33Å; E635-R637 PolarHBondContact O-N 2.94Å; E635-L638 WeakPolarHBondContact O-CB 3.36Å; E635-L638 PolarHBondContact O-N 3.21Å; E635-L639 HydrophobicContact CG-CD1 4.42Å; E635-L639 WeakPolarHBondContact O-CG 3.43Å; E635-L639 PolarHBondContact O-N 3.49Å |
| 636 | Q | 90.1 | Very high | 75.3 | Confident | 120 Ų | 120 | 107 Ų | 107 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.8 | -37.3 | 175 | -171.5 | -179.6 | 8.5 | 0 | 0 | 111.5 | P632 S633 L639 E640 | P632-Q636 HydrophobicContact CB-CB 4.2Å; P632-Q636 HydrophobicContact CB-CG 4.16Å; S633-Q636 CarbonylContact O-C 3.58Å; S633-Q636 WeakPolarHBondContact O-CA 3.43Å; S633-Q636 WeakPolarHBondContact O-CB 3.31Å; S633-Q636 PolarHBondContact O-N 3.44Å; Q636-L639 PolarHBondContact O-N 2.83Å; Q636-E640 WeakPolarHBondContact O-CB 3.42Å; Q636-E640 PolarHBondContact O-N 3.45Å |
| 637 | R | 91.1 | Very high | 78.3 | Confident | 178 Ų | 178 | 104.9 Ų | 104.9 | 67% | 0.672 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.7 | -39.6 | 171.9 | -172.8 | 175.7 | -177.3 | 172 | 1.4 | 111.5 | S633 V634 E635 E640 L641 | S633-R637 PolarHBondContact O-N 3.22Å; V634-R637 PolarHBondContact O-N 2.95Å; E635-R637 VanDerWaalsContact C-N 3.33Å; E635-R637 PolarHBondContact O-N 2.94Å; R637-E640 PolarHBondContact O-N 3.37Å; R637-L641 VanDerWaalsContact O-CB 3.28Å; R637-L641 WeakPolarHBondContact O-CB 3.1Å; R637-L641 PolarHBondContact O-N 2.96Å |
| 638 | L | 93.7 | Very high | 81.1 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.7 | -42 | 176.3 | -167.8 | 75.3 | 0 | 0 | 0 | 111.6 | V634 E635 L641 N642 | V634-L638 WeakPolarHBondContact O-CB 3.43Å; V634-L638 PolarHBondContact O-N 3.42Å; E635-L638 WeakPolarHBondContact O-CB 3.36Å; E635-L638 PolarHBondContact O-N 3.21Å; L638-L641 PolarHBondContact O-N 3.47Å; L638-N642 VanDerWaalsContact O-CB 3.31Å; L638-N642 WeakPolarHBondContact O-CB 3.31Å; L638-N642 PolarHBondContact O-N 2.91Å |
| 639 | L | 93.6 | Very high | 84 | Confident | 113 Ų | 113 | 104.3 Ų | 104.3 | 59% | 0.592 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -43.4 | 175.2 | -72.6 | 170 | 0 | 0 | 0 | 111.8 | E635 Q636 N642 R643 | E635-L639 HydrophobicContact CG-CD1 4.42Å; E635-L639 WeakPolarHBondContact O-CG 3.43Å; E635-L639 PolarHBondContact O-N 3.49Å; Q636-L639 PolarHBondContact O-N 2.83Å; L639-N642 PolarHBondContact O-N 2.98Å; L639-R643 WeakPolarHBondContact O-CB 3.43Å; L639-R643 PolarHBondContact O-N 3.45Å |
| 640 | E | 93.1 | Very high | 86.6 | Confident | 66 Ų | 66 | 102.3 Ų | 102.3 | 31% | 0.308 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.3 | -39.5 | 176.1 | 178.8 | 54.8 | -157 | 0 | 0 | 111.8 | Q636 R637 N642 R643 Q644 | Q636-E640 WeakPolarHBondContact O-CB 3.42Å; Q636-E640 PolarHBondContact O-N 3.45Å; R637-E640 PolarHBondContact O-N 3.37Å; E640-N642 VanDerWaalsContact C-N 3.35Å; E640-R643 WeakPolarHBondContact O-CB 3.32Å; E640-R643 PolarHBondContact O-N 3.07Å; E640-R643 IonicContact OE1-CZ 3.44Å; E640-R643 IonicContact OE1-NE 2.74Å; E640-R643 PolarHBondContact OE1-NE 3.42Å; E640-R643 IonicContact OE1-NH2 2.7Å; E640-R643 PolarHBondContact OE1-NH2 3.32Å; E640-R643 IonicContact OE2-CZ 2.75Å; E640-R643 IonicContact OE2-NE 2.88Å; E640-R643 PolarHBondContact OE2-NE 2.92Å; E640-R643 IonicContact OE2-NH2 2.63Å; E640-R643 PolarHBondContact OE2-NH2 3.4Å; E640-Q644 WeakPolarHBondContact O-CB 3.47Å; E640-Q644 VanDerWaalsContact O-CG 3.28Å; E640-Q644 WeakPolarHBondContact O-CG 3.46Å; E640-Q644 PolarHBondContact O-N 2.97Å; E640-Q644 PolarHBondContact OE1-NE2 3.43Å |
| 641 | L | 94.6 | Very high | 89 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.3 | -35 | 176 | -152.6 | 159.4 | 0 | 0 | 0 | 111.3 | R637 L638 Q644 S645 | R637-L641 VanDerWaalsContact O-CB 3.28Å; R637-L641 WeakPolarHBondContact O-CB 3.1Å; R637-L641 PolarHBondContact O-N 2.96Å; L638-L641 PolarHBondContact O-N 3.47Å; L641-Q644 PolarHBondContact O-N 2.84Å; L641-S645 WeakPolarHBondContact O-CB 3.49Å; L641-S645 PolarHBondContact O-N 2.92Å |
| 642 | N | 93.3 | Very high | 91.3 | Very high | 104 Ų | 104 | 104.4 Ų | 104.4 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.7 | -44.4 | 170.9 | -165.2 | -34.1 | 0 | 0 | 0 | 111.3 | L638 L639 E640 Q644 S645 A646 | L638-N642 VanDerWaalsContact O-CB 3.31Å; L638-N642 WeakPolarHBondContact O-CB 3.31Å; L638-N642 PolarHBondContact O-N 2.91Å; L639-N642 PolarHBondContact O-N 2.98Å; E640-N642 VanDerWaalsContact C-N 3.35Å; N642-Q644 VanDerWaalsContact C-N 3.33Å; N642-Q644 PolarHBondContact O-N 3.04Å; N642-S645 PolarHBondContact O-N 2.87Å; N642-A646 WeakPolarHBondContact O-CB 3.38Å; N642-A646 PolarHBondContact O-N 2.87Å |
| 643 | R | 96.7 | Very high | 92.8 | Very high | 158 Ų | 158 | 106.4 Ų | 106.4 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.6 | -43.8 | 173.1 | -168.2 | -175.4 | 75.4 | 96.5 | 2.3 | 111.8 | L639 E640 A646 A647 | L639-R643 WeakPolarHBondContact O-CB 3.43Å; L639-R643 PolarHBondContact O-N 3.45Å; E640-R643 WeakPolarHBondContact O-CB 3.32Å; E640-R643 PolarHBondContact O-N 3.07Å; E640-R643 IonicContact OE1-CZ 3.44Å; E640-R643 IonicContact OE1-NE 2.74Å; E640-R643 PolarHBondContact OE1-NE 3.42Å; E640-R643 IonicContact OE1-NH2 2.7Å; E640-R643 PolarHBondContact OE1-NH2 3.32Å; E640-R643 IonicContact OE2-CZ 2.75Å; E640-R643 IonicContact OE2-NE 2.88Å; E640-R643 PolarHBondContact OE2-NE 2.92Å; E640-R643 IonicContact OE2-NH2 2.63Å; E640-R643 PolarHBondContact OE2-NH2 3.4Å; R643-A646 PolarHBondContact O-N 3.48Å; R643-A647 WeakPolarHBondContact O-CB 3.29Å; R643-A647 PolarHBondContact O-N 2.85Å |
| 644 | Q | 95.6 | Very high | 93.9 | Very high | 105 Ų | 105 | 108.4 Ų | 108.4 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.1 | -71.2 | 173.8 | 12.9 | 0 | 0 | 112.1 | E640 L641 N642 A647 A648 | E640-Q644 WeakPolarHBondContact O-CB 3.47Å; E640-Q644 VanDerWaalsContact O-CG 3.28Å; E640-Q644 WeakPolarHBondContact O-CG 3.46Å; E640-Q644 PolarHBondContact O-N 2.97Å; E640-Q644 PolarHBondContact OE1-NE2 3.43Å; L641-Q644 PolarHBondContact O-N 2.84Å; N642-Q644 VanDerWaalsContact C-N 3.33Å; N642-Q644 PolarHBondContact O-N 3.04Å; Q644-A647 PolarHBondContact O-N 3.35Å; Q644-A648 VanDerWaalsContact O-CB 3.29Å; Q644-A648 WeakPolarHBondContact O-CB 3.45Å; Q644-A648 PolarHBondContact O-N 3.32Å |
| 645 | S | 96.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 107.3 Ų | 107.3 | 32% | 0.315 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | L641 N642 A648 R649 | L641-S645 WeakPolarHBondContact O-CB 3.49Å; L641-S645 PolarHBondContact O-N 2.92Å; N642-S645 PolarHBondContact O-N 2.87Å; S645-A648 PolarHBondContact O-N 3.18Å; S645-R649 WeakPolarHBondContact O-CB 3.3Å; S645-R649 VanDerWaalsContact O-CG 3.31Å; S645-R649 WeakPolarHBondContact O-CG 3.45Å; S645-R649 PolarHBondContact O-N 3.4Å |
| 646 | A | 96 | Very high | 94.7 | Very high | 45 Ų | 45 | 104.9 Ų | 104.9 | 37% | 0.372 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N642 R643 A648 R649 S650 | N642-A646 WeakPolarHBondContact O-CB 3.38Å; N642-A646 PolarHBondContact O-N 2.87Å; R643-A646 PolarHBondContact O-N 3.48Å; A646-A648 VanDerWaalsContact C-N 3.34Å; A646-A648 PolarHBondContact O-N 3.4Å; A646-R649 PolarHBondContact O-N 2.98Å; A646-S650 PolarHBondContact O-N 2.86Å; A646-S650 PolarHBondContact O-OG 3.28Å |
| 647 | A | 94.5 | Very high | 94.9 | Very high | 46 Ų | 46 | 102.6 Ų | 102.6 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | R643 Q644 S650 R651 | R643-A647 WeakPolarHBondContact O-CB 3.29Å; R643-A647 PolarHBondContact O-N 2.85Å; Q644-A647 PolarHBondContact O-N 3.35Å; A647-S650 PolarHBondContact O-N 3.44Å; A647-R651 PolarHBondContact O-N 3.42Å |
| 648 | A | 95.8 | Very high | 95 | Very high | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q644 S645 A646 R651 L652 | Q644-A648 VanDerWaalsContact O-CB 3.29Å; Q644-A648 WeakPolarHBondContact O-CB 3.45Å; Q644-A648 PolarHBondContact O-N 3.32Å; S645-A648 PolarHBondContact O-N 3.18Å; A646-A648 VanDerWaalsContact C-N 3.34Å; A646-A648 PolarHBondContact O-N 3.4Å; A648-R651 PolarHBondContact O-N 3.37Å; A648-L652 WeakPolarHBondContact O-CB 3.44Å; A648-L652 PolarHBondContact O-N 3.38Å |
| 649 | R | 95.6 | Very high | 94.8 | Very high | 167 Ų | 167 | 99.6 Ų | 99.6 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 173.1 | -74.7 | 169.9 | 176.3 | 167.5 | -0 | 112 | S645 A646 L652 L653 | S645-R649 WeakPolarHBondContact O-CB 3.3Å; S645-R649 VanDerWaalsContact O-CG 3.31Å; S645-R649 WeakPolarHBondContact O-CG 3.45Å; S645-R649 PolarHBondContact O-N 3.4Å; A646-R649 PolarHBondContact O-N 2.98Å; R649-L652 PolarHBondContact O-N 3.32Å; R649-L653 WeakPolarHBondContact O-CG 3.33Å; R649-L653 PolarHBondContact O-N 3.45Å |
| 650 | S | 96.1 | Very high | 94.5 | Very high | 76 Ų | 76 | 100 Ų | 100 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 174.8 | -61.1 | 0 | 0 | 0 | 0 | 112 | A646 A647 L653 E654 | A646-S650 PolarHBondContact O-N 2.86Å; A646-S650 PolarHBondContact O-OG 3.28Å; A647-S650 PolarHBondContact O-N 3.44Å; S650-L653 PolarHBondContact O-N 2.77Å; S650-E654 WeakPolarHBondContact O-CB 3.32Å; S650-E654 PolarHBondContact O-N 3.4Å |
| 651 | R | 95.8 | Very high | 94.1 | Very high | 175 Ų | 175 | 101.7 Ų | 101.7 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -36.2 | 174.4 | -76.7 | -178.3 | 178.4 | 159.3 | -0.6 | 113.3 | A647 A648 E654 L655 | A647-R651 PolarHBondContact O-N 3.42Å; A648-R651 PolarHBondContact O-N 3.37Å; R651-E654 WeakPolarHBondContact O-CB 3.44Å; R651-E654 PolarHBondContact O-N 3.13Å; R651-L655 WeakPolarHBondContact O-CB 3.36Å; R651-L655 WeakPolarHBondContact O-CG 3.43Å; R651-L655 PolarHBondContact O-N 2.81Å |
| 652 | L | 96.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 99.9 Ų | 99.9 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 175.1 | -179.5 | 62 | 0 | 0 | 0 | 111 | A648 R649 E654 L655 I656 | A648-L652 WeakPolarHBondContact O-CB 3.44Å; A648-L652 PolarHBondContact O-N 3.38Å; R649-L652 PolarHBondContact O-N 3.32Å; L652-E654 VanDerWaalsContact C-N 3.35Å; L652-L655 PolarHBondContact O-N 2.72Å; L652-I656 HydrophobicContact CD1-CD1 4.3Å; L652-I656 HydrophobicContact CG-CD1 4.01Å; L652-I656 WeakPolarHBondContact O-CB 3.4Å; L652-I656 WeakPolarHBondContact O-CD1 3.45Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.29Å; L652-I656 PolarHBondContact O-N 3.32Å |
| 653 | L | 96.1 | Very high | 91.7 | Very high | 117 Ų | 117 | 97.9 Ų | 97.9 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 173.6 | -69.2 | 170.8 | 0 | 0 | 0 | 111.9 | R649 S650 I656 E657 | R649-L653 WeakPolarHBondContact O-CG 3.33Å; R649-L653 PolarHBondContact O-N 3.45Å; S650-L653 PolarHBondContact O-N 2.77Å; L653-I656 PolarHBondContact O-N 3.14Å; L653-E657 WeakPolarHBondContact O-CB 3.5Å; L653-E657 PolarHBondContact O-N 3.29Å |
| 654 | E | 96 | Very high | 90 | Very high | 111 Ų | 111 | 94.4 Ų | 94.4 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 173.6 | -173.1 | -179.1 | -178.2 | 0 | 0 | 111.9 | S650 R651 L652 E657 Q658 | S650-E654 WeakPolarHBondContact O-CB 3.32Å; S650-E654 PolarHBondContact O-N 3.4Å; R651-E654 WeakPolarHBondContact O-CB 3.44Å; R651-E654 PolarHBondContact O-N 3.13Å; L652-E654 VanDerWaalsContact C-N 3.35Å; E654-E657 PolarHBondContact O-N 3.26Å; E654-Q658 WeakPolarHBondContact O-CB 3.34Å; E654-Q658 VanDerWaalsContact O-CG 3.3Å; E654-Q658 WeakPolarHBondContact O-CG 3.48Å; E654-Q658 PolarHBondContact O-N 3.06Å |
| 655 | L | 95.6 | Very high | 87.9 | Confident | 103 Ų | 103 | 96.6 Ų | 96.6 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.2 | -73.8 | 169.2 | 0 | 0 | 0 | 112.6 | R651 L652 E657 Q658 Q659 | R651-L655 WeakPolarHBondContact O-CB 3.36Å; R651-L655 WeakPolarHBondContact O-CG 3.43Å; R651-L655 PolarHBondContact O-N 2.81Å; L652-L655 PolarHBondContact O-N 2.72Å; L655-E657 VanDerWaalsContact C-N 3.32Å; L655-Q658 PolarHBondContact O-N 3.43Å; L655-Q659 WeakPolarHBondContact O-CB 3.28Å; L655-Q659 PolarHBondContact O-N 3.47Å |
| 656 | I | 93.7 | Very high | 85.5 | Confident | 88 Ų | 88 | 105.2 Ų | 105.2 | 45% | 0.451 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 174 | -70.5 | 164.2 | 0 | 0 | 0 | 110.3 | L652 L653 Q659 K660 | L652-I656 HydrophobicContact CD1-CD1 4.3Å; L652-I656 HydrophobicContact CG-CD1 4.01Å; L652-I656 WeakPolarHBondContact O-CB 3.4Å; L652-I656 WeakPolarHBondContact O-CD1 3.45Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.29Å; L652-I656 PolarHBondContact O-N 3.32Å; L653-I656 PolarHBondContact O-N 3.14Å; I656-Q659 PolarHBondContact O-N 3.24Å; I656-K660 WeakPolarHBondContact O-CB 3.47Å; I656-K660 PolarHBondContact O-N 3.37Å |
| 657 | E | 94.4 | Very high | 83.2 | Confident | 72 Ų | 72 | 109.5 Ų | 109.5 | 34% | 0.336 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68 | -41.2 | 176.4 | -173.8 | 59.3 | -149.8 | 0 | 0 | 111.7 | L653 E654 L655 Q659 K660 Q661 | L653-E657 WeakPolarHBondContact O-CB 3.5Å; L653-E657 PolarHBondContact O-N 3.29Å; E654-E657 PolarHBondContact O-N 3.26Å; L655-E657 VanDerWaalsContact C-N 3.32Å; E657-Q659 VanDerWaalsContact C-N 3.33Å; E657-Q659 PolarHBondContact O-N 2.85Å; E657-K660 WeakPolarHBondContact O-CB 3.43Å; E657-K660 PolarHBondContact O-N 3.48Å; E657-K660 WeakPolarHBondContact OE1-CE 3.44Å; E657-K660 IonicContact OE1-NZ 2.71Å; E657-K660 PolarHBondContact OE1-NZ 2.74Å; E657-K660 WeakPolarHBondContact OE2-CE 3.28Å; E657-K660 IonicContact OE2-NZ 2.71Å; E657-K660 PolarHBondContact OE2-NZ 2.71Å; E657-Q661 WeakPolarHBondContact O-CB 3.46Å; E657-Q661 VanDerWaalsContact O-CG 3.26Å; E657-Q661 WeakPolarHBondContact O-CG 3.34Å; E657-Q661 PolarHBondContact O-N 3.16Å; E657-Q661 PolarHBondContact OE1-NE2 3.48Å |
| 658 | Q | 92.8 | Very high | 80.1 | Confident | 96 Ų | 96 | 112.7 Ų | 112.7 | 45% | 0.449 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -38 | 171.7 | -74.3 | 175.2 | 7.3 | 0 | 0 | 112 | E654 L655 Q661 S662 | E654-Q658 WeakPolarHBondContact O-CB 3.34Å; E654-Q658 VanDerWaalsContact O-CG 3.3Å; E654-Q658 WeakPolarHBondContact O-CG 3.48Å; E654-Q658 PolarHBondContact O-N 3.06Å; L655-Q658 PolarHBondContact O-N 3.43Å; Q658-Q661 PolarHBondContact O-N 3.39Å; Q658-S662 WeakPolarHBondContact O-CB 3.39Å; Q658-S662 PolarHBondContact O-N 3.45Å; Q658-S662 PolarHBondContact O-OG 2.87Å |
| 659 | Q | 87.9 | Confident | 77.6 | Confident | 141 Ų | 141 | 115.7 Ų | 115.7 | 66% | 0.659 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.4 | -41.7 | 173.4 | -171.8 | 177.7 | -0.1 | 0 | 0 | 111.3 | L655 I656 E657 S662 A663 | L655-Q659 WeakPolarHBondContact O-CB 3.28Å; L655-Q659 PolarHBondContact O-N 3.47Å; I656-Q659 PolarHBondContact O-N 3.24Å; E657-Q659 VanDerWaalsContact C-N 3.33Å; E657-Q659 PolarHBondContact O-N 2.85Å; Q659-S662 WeakPolarHBondContact CA-OG 3.31Å; Q659-S662 PolarHBondContact O-OG 2.95Å; Q659-S662 VanDerWaalsContact O-OG 3.13Å; Q659-A663 VanDerWaalsContact O-CB 3.3Å; Q659-A663 WeakPolarHBondContact O-CB 3.38Å; Q659-A663 PolarHBondContact O-N 3.46Å |
| 660 | K | 87.7 | Confident | 75.1 | Confident | 123 Ų | 123 | 113.1 Ų | 113.1 | 54% | 0.535 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.3 | -41.5 | 175.1 | -163.6 | -168.1 | 77.4 | -161.6 | 0 | 111.9 | I656 E657 S664 | I656-K660 WeakPolarHBondContact O-CB 3.47Å; I656-K660 PolarHBondContact O-N 3.37Å; E657-K660 WeakPolarHBondContact O-CB 3.43Å; E657-K660 PolarHBondContact O-N 3.48Å; E657-K660 WeakPolarHBondContact OE1-CE 3.44Å; E657-K660 IonicContact OE1-NZ 2.71Å; E657-K660 PolarHBondContact OE1-NZ 2.74Å; E657-K660 WeakPolarHBondContact OE2-CE 3.28Å; E657-K660 IonicContact OE2-NZ 2.71Å; E657-K660 PolarHBondContact OE2-NZ 2.71Å; K660-S664 WeakPolarHBondContact O-CB 3.45Å; K660-S664 PolarHBondContact O-N 2.86Å |
| 661 | Q | 84.9 | Confident | 72 | Confident | 100 Ų | 100 | 114.5 Ų | 114.5 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.2 | -40 | 179.4 | -71.2 | 174.9 | 12.1 | 0 | 0 | 112.3 | E657 Q658 S664 L665 | E657-Q661 WeakPolarHBondContact O-CB 3.46Å; E657-Q661 VanDerWaalsContact O-CG 3.26Å; E657-Q661 WeakPolarHBondContact O-CG 3.34Å; E657-Q661 PolarHBondContact O-N 3.16Å; E657-Q661 PolarHBondContact OE1-NE2 3.48Å; Q658-Q661 PolarHBondContact O-N 3.39Å; Q661-S664 CarbonylContact O-C 3.53Å; Q661-S664 WeakPolarHBondContact O-CB 3.4Å; Q661-S664 PolarHBondContact O-N 3.3Å; Q661-S664 VanDerWaalsContact O-N 3.15Å; Q661-L665 WeakPolarHBondContact O-CG 3.39Å; Q661-L665 PolarHBondContact O-N 3.24Å |
| 662 | S | 74.1 | Confident | 69.2 | Low | 65 Ų | 65 | 111 Ų | 111 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.2 | -31.6 | 174 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | Q658 Q659 L665 R666 | Q658-S662 WeakPolarHBondContact O-CB 3.39Å; Q658-S662 PolarHBondContact O-N 3.45Å; Q658-S662 PolarHBondContact O-OG 2.87Å; Q659-S662 WeakPolarHBondContact CA-OG 3.31Å; Q659-S662 PolarHBondContact O-OG 2.95Å; Q659-S662 VanDerWaalsContact O-OG 3.13Å; S662-L665 PolarHBondContact O-N 2.9Å; S662-R666 WeakPolarHBondContact O-CG 3.4Å |
| 663 | A | 64.7 | Low | 66.9 | Low | 63 Ų | 63 | 112.2 Ų | 112.2 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.5 | -39.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q659 L665 R666 | Q659-A663 VanDerWaalsContact O-CB 3.3Å; Q659-A663 WeakPolarHBondContact O-CB 3.38Å; Q659-A663 PolarHBondContact O-N 3.46Å; A663-L665 VanDerWaalsContact C-N 3.32Å; A663-L665 PolarHBondContact O-N 3.03Å; A663-R666 PolarHBondContact O-N 3.35Å |
| 664 | S | 60.8 | Low | 64 | Low | 85 Ų | 85 | 113.4 Ų | 113.4 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.7 | -24.8 | 176.9 | -166.9 | 0 | 0 | 0 | 0 | 114 | K660 Q661 R666 | K660-S664 WeakPolarHBondContact O-CB 3.45Å; K660-S664 PolarHBondContact O-N 2.86Å; Q661-S664 CarbonylContact O-C 3.53Å; Q661-S664 WeakPolarHBondContact O-CB 3.4Å; Q661-S664 PolarHBondContact O-N 3.3Å; Q661-S664 VanDerWaalsContact O-N 3.15Å; S664-R666 VanDerWaalsContact C-N 3.32Å |
| 665 | L | 51.3 | Low | 61.4 | Low | 150 Ų | 150 | 114 Ų | 114 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -5 | 176.1 | -75.5 | 163.9 | 0 | 0 | 0 | 113.5 | Q661 S662 A663 | Q661-L665 WeakPolarHBondContact O-CG 3.39Å; Q661-L665 PolarHBondContact O-N 3.24Å; S662-L665 PolarHBondContact O-N 2.9Å; A663-L665 VanDerWaalsContact C-N 3.32Å; A663-L665 PolarHBondContact O-N 3.03Å |
| 666 | R | 46.4 | Very low | 58.4 | Low | 226 Ų | 226 | 114.3 Ų | 114.3 | 85% | 0.853 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 13.1 | 178.4 | -79.7 | -81 | -168.6 | 140.6 | 2.8 | 114 | S662 A663 S664 | S662-R666 WeakPolarHBondContact O-CG 3.4Å; A663-R666 PolarHBondContact O-N 3.35Å; S664-R666 VanDerWaalsContact C-N 3.32Å |
| 667 | I | 46.1 | Very low | 55.4 | Low | 135 Ų | 135 | 115.8 Ų | 115.8 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | trans | -104 | 114.1 | 176.9 | -53.7 | 178.4 | 0 | 0 | 0 | 110.3 | ||||
| 668 | S | 30.1 | Very low | 52.3 | Low | 114 Ų | 114 | 116.6 Ų | 116.6 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | trans | -110.2 | 156.1 | 156.2 | -77.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 669 | P | 43.9 | Very low | 49.3 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | -98.9 | 165.3 | -124.2 | 35.1 | -38.5 | 0 | 0 | 0 | 116.7 | |||||
| 670 | S | 41.5 | Very low | 46.5 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -74.5 | 143.7 | 174.8 | 53 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 671 | A | 31.2 | Very low | 44.6 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -134.5 | 117 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 672 | S | 36.7 | Very low | 42 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -96.2 | 177.3 | 165.1 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 673 | P | 49.7 | Very low | 39.8 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | -142.2 | 156.8 | 95.8 | 35.8 | -21.1 | 0 | 0 | 0 | 115.8 | |||||
| 674 | I | 35.8 | Very low | 38.1 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 145 | 170.5 | -61.5 | 159.5 | 0 | 0 | 0 | 108.6 | ||
| 675 | P | 40.7 | Very low | 36.5 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 133 | 159.5 | 33.4 | -29.9 | 0 | 0 | 0 | 111.4 | ||
| 676 | S | 32.3 | Very low | 35.3 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 138.8 | -169.9 | -64.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 677 | S | 29.8 | Very low | 34.3 | Very low | 119 Ų | 119 | 111.7 Ų | 111.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 62.1 | 124.5 | 141.8 | -165.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 678 | A | 30.2 | Very low | 33.4 | Very low | 89 Ų | 89 | 114.5 Ų | 114.5 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | -165.4 | 118.2 | 128.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 679 | V | 29.9 | Very low | 33.3 | Very low | 127 Ų | 127 | 114.3 Ų | 114.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | 69.4 | 98.6 | 128.9 | -175.3 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 680 | S | 28.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 72.5 | 166.7 | 124.2 | -84.1 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 681 | P | 49.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 115.3 Ų | 115.3 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -123.8 | -164.7 | -148.4 | 44.5 | -30.7 | 0 | 0 | 0 | 115.4 | ||||
| 682 | N | 29 | Very low | 31.6 | Very low | 150 Ų | 150 | 119 Ų | 119 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | 85.3 | 114.5 | 164.7 | -84.1 | -12.7 | 0 | 0 | 0 | 120.4 | ||||
| 683 | A | 27.5 | Very low | 31.2 | Very low | 87 Ų | 87 | 118.5 Ų | 118.5 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | 72.6 | 110.6 | 119.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 684 | A | 29.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 118.6 Ų | 118.6 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | 69.6 | 100.1 | 120.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 685 | A | 28.1 | Very low | 29.9 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | -165.7 | 149.6 | 126.8 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 686 | G | 26 | Very low | 30.1 | Very low | 78 Ų | 78 | 117.7 Ų | 117.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | 118.1 | 92.7 | 14.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 687 | G | 24.5 | Very low | 30.7 | Very low | 69 Ų | 69 | 117.9 Ų | 117.9 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 79.6 | 120.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 688 | Q | 27.6 | Very low | 30.5 | Very low | 193 Ų | 193 | 121.6 Ų | 121.6 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | 84.7 | 157.3 | 57.4 | -76.3 | -165.6 | 36.1 | 0 | 0 | 114.8 | |||||
| 689 | S | 26.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 78.5 | 143 | -172.4 | 89.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 690 | S | 28.3 | Very low | 30.5 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | cis | -131.8 | 129.9 | 15.7 | -79.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 691 | E | 28.6 | Very low | 30.5 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 84.4 | 143.4 | 90.5 | -67.3 | 164.7 | 140.7 | 0 | 0 | 112.4 | |||||
| 692 | E | 25.3 | Very low | 29.4 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | cis | -153.6 | 122.3 | 44.4 | -176.2 | 176.2 | 177.4 | 0 | 0 | 110.3 | ||||
| 693 | T | 27.4 | Very low | 29.4 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 56% | 0.558 | 77% | 0.773 | S | S | * | * | 83.7 | 126 | 77.5 | -48.1 | 0 | 0 | 0 | 0 | 113 | L695 | T693-L695 HydrophobicContact CG2-CD1 3.66Å; T693-L695 HydrophobicContact CG2-CG 3.9Å | |||
| 694 | V | 26.7 | Very low | 29.3 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | -160.4 | 117.8 | 75.9 | 168.3 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 695 | L | 31.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | 84.3 | 158.4 | 70 | -70.4 | 173.4 | 0 | 0 | 0 | 115.7 | T693 | T693-L695 HydrophobicContact CG2-CD1 3.66Å; T693-L695 HydrophobicContact CG2-CG 3.9Å | |||
| 696 | P | 44.3 | Very low | 29.2 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | -142.7 | -142.2 | -62.5 | 45.2 | -24.7 | 0 | 0 | 0 | 111 | |||||
| 697 | P | 45.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -135.1 | 172.1 | -26.3 | 39.6 | -22.7 | 0 | 0 | 0 | 116.6 | ||||
| 698 | E | 25.4 | Very low | 29.5 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | -159.9 | 172.2 | 142.8 | -121.5 | -173.8 | -176.4 | 0 | 0 | 113.3 | ||||
| 699 | R | 32.6 | Very low | 29.4 | Very low | 202 Ų | 202 | 138.9 Ų | 138.9 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -149.3 | 166.7 | -157.7 | -89.8 | 172.2 | 158.4 | -117 | -7.4 | 112.8 | ||||
| 700 | E | 27.2 | Very low | 29.4 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | cis | -141.7 | -108.4 | 3.6 | -142.9 | 149.9 | 158.7 | 0 | 0 | 116.4 | ||||
| 701 | F | 28.8 | Very low | 29.4 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | trans | -158 | 164.1 | -149.7 | -100.1 | -89.4 | 0 | 0 | 0 | 117.3 | ||||
| 702 | G | 27.3 | Very low | 29.4 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 159.8 | 141.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 703 | S | 29.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -154.7 | 173.7 | -146.2 | -175.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 704 | H | 23.8 | Very low | 29.3 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 120 | 126.6 | 169.1 | -79.8 | 24.4 | 0 | 0 | 0 | 115.4 | ||||
| 705 | R | 29.7 | Very low | 29.3 | Very low | 189 Ų | 189 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | cis | 76.3 | 130.8 | 40.7 | -122 | -173.4 | -151.6 | -122.8 | 2 | 112.2 | ||||
| 706 | Q | 27.4 | Very low | 29.1 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | cis | -163.8 | 151.9 | 48.2 | -69 | -170.6 | 11.7 | 0 | 0 | 116.9 | ||||
| 707 | Y | 28.2 | Very low | 28.1 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 46.9 | 124.4 | 136.9 | -73.3 | -100.6 | 0 | 0 | 0 | 128.1 | ||||
| 708 | A | 28.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | 53.1 | 141.2 | 120.4 | 0 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 709 | G | 25.1 | Very low | 27.2 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 134.4 | 103.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 710 | S | 27.7 | Very low | 26.9 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 26.5 | 134.9 | 150.6 | -58.1 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 711 | D | 26.5 | Very low | 27 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | trans | 55.3 | 147.8 | 133.3 | -67.7 | -34.4 | 0 | 0 | 0 | 126.2 | ||||
| 712 | A | 28.4 | Very low | 27.1 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 79.4 | 100.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 713 | S | 27.4 | Very low | 27.2 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | 62 | 141.4 | 123.7 | -59.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 714 | N | 25.2 | Very low | 27.1 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 100.7 | 138.9 | 150.3 | -71.1 | -10.3 | 0 | 0 | 0 | 120.5 | ||||
| 715 | S | 25.7 | Very low | 27.4 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | -61.7 | 154.4 | 176.9 | 54.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 716 | L | 26.9 | Very low | 27.5 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | -161.6 | 142.8 | 110.4 | -103.4 | 155.1 | 0 | 0 | 0 | 112 | |||||
| 717 | S | 24.8 | Very low | 27.7 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | -69.2 | 157.6 | 165 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 718 | F | 24.7 | Very low | 27.7 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | 164.5 | 115 | 104.4 | -164.8 | -110.1 | 0 | 0 | 0 | 112.5 | |||||
| 719 | E | 25.3 | Very low | 27.8 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 54% | 0.542 | 74% | 0.737 | S | S | . | * | trans | 38.2 | 130.5 | 131.8 | -150.5 | -176.7 | 125.3 | 0 | 0 | 122.4 | K721 | E719-K721 IonicContact OE1-NZ 2.71Å; E719-K721 PolarHBondContact OE1-NZ 3.48Å | ||
| 720 | S | 27.3 | Very low | 28.2 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | 153.8 | 118 | 128 | -74.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 721 | K | 30.2 | Very low | 28.5 | Very low | 159 Ų | 159 | 138 Ų | 138 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | 66.3 | 135.7 | 94.3 | -66.1 | 161.5 | 177 | 148.2 | 0 | 111.9 | E719 | E719-K721 IonicContact OE1-NZ 2.71Å; E719-K721 PolarHBondContact OE1-NZ 3.48Å | |||
| 722 | T | 29.9 | Very low | 28.8 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | cis | -168.7 | 160.9 | 14.7 | 2.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 723 | G | 29 | Very low | 29.1 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 72% | 0.717 | S | S | * | * | trans | 159.4 | 105.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 724 | E | 28.5 | Very low | 29.5 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -92.3 | -175 | -179.1 | -76.1 | -171.8 | 90.6 | 0 | 0 | 114 | ||||
| 725 | I | 30.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | 96.3 | 95.3 | 161.2 | -53.3 | 168.7 | 0 | 0 | 0 | 112.1 | ||||
| 726 | K | 31.4 | Very low | 30.8 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | 62.3 | 132.8 | 79.3 | -68 | 179 | 178.4 | 168.7 | 0 | 111.2 | |||||
| 727 | H | 31.3 | Very low | 31.2 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | cis | -166.9 | 162.2 | 20.1 | -157.2 | -121.4 | 0 | 0 | 0 | 110.5 | ||||
| 728 | N | 28.7 | Very low | 31.8 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | trans | 40.2 | 159 | 151.1 | 77.4 | -44.6 | 0 | 0 | 0 | 123.4 | ||||
| 729 | E | 29.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | cis | -153 | 159.8 | 5.1 | -149.5 | 156.7 | 158.2 | 0 | 0 | 116.6 | ||||
| 730 | K | 33.5 | Very low | 33.2 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | trans | -30.7 | 143.8 | 170.4 | -47.2 | 147.6 | -166.2 | 152.5 | 0 | 118.9 | ||||
| 731 | R | 33.5 | Very low | 33.7 | Very low | 220 Ų | 220 | 151.6 Ų | 151.6 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | 164.9 | 158.4 | 106 | -90.6 | -178.9 | -179.6 | -114.5 | 6.3 | 108.8 | |||||
| 732 | Q | 33.4 | Very low | 34.3 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 59% | 0.589 | 75% | 0.753 | S | S | * | * | cis | 160 | 140.2 | -17.9 | 179 | 174.4 | -23.2 | 0 | 0 | 104.5 | ||||
| 733 | E | 35.1 | Very low | 34.6 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 57% | 0.57 | 75% | 0.746 | S | S | * | * | trans | 69.1 | 152.2 | 173.2 | -72.5 | 159.5 | -123.5 | 0 | 0 | 116.3 | ||||
| 734 | R | 35.7 | Very low | 35 | Very low | 209 Ų | 209 | 151 Ų | 151 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | cis | -154.3 | 164 | 8.3 | -134 | 163.4 | -135.4 | -100.7 | -2 | 111.7 | ||||
| 735 | E | 42 | Very low | 35.4 | Very low | 192 Ų | 192 | 158.1 Ų | 158.1 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -66.5 | 147.6 | 167.3 | -60.1 | 167.1 | 145 | 0 | 0 | 111.2 | ||||
| 736 | G | 34.7 | Very low | 35.6 | Very low | 65 Ų | 65 | 158.5 Ų | 158.5 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | -169.2 | 106.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 737 | W | 36.8 | Very low | 35.8 | Very low | 228 Ų | 228 | 157.7 Ų | 157.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | 46.2 | 120.9 | 136.8 | -58.4 | 82.9 | 0 | 0 | 0 | 121.8 | ||||
| 738 | F | 36.6 | Very low | 36.1 | Very low | 173 Ų | 173 | 158.2 Ų | 158.2 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 31.5 | 128.8 | 138.6 | -65.5 | -94.5 | 0 | 0 | 0 | 120.9 | ||||
| 739 | S | 40.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 160.8 Ų | 160.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -146.9 | 112.7 | 137.5 | -82.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 740 | L | 37.9 | Very low | 36.9 | Very low | 165 Ų | 165 | 162.6 Ų | 162.6 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -74 | 123.6 | 157 | -95.7 | 155 | 0 | 0 | 0 | 108.1 | ||||
| 741 | V | 39.5 | Very low | 37.2 | Very low | 126 Ų | 126 | 162.7 Ų | 162.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -136.2 | 112.8 | 153.2 | -179 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 742 | A | 41.6 | Very low | 37.4 | Very low | 85 Ų | 85 | 158.6 Ų | 158.6 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -84 | 138.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 743 | H | 36.4 | Very low | 37.7 | Very low | 163 Ų | 163 | 161.1 Ų | 161.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -149.1 | 114.4 | 150.2 | -95.1 | 62 | 0 | 0 | 0 | 104.1 | ||||
| 744 | T | 37.8 | Very low | 38 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | 41.3 | 84.6 | 76.3 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 745 | R | 36 | Very low | 38.2 | Very low | 321 Ų | 321 | 160.3 Ų | 160.3 | 100% | 1.211 | 83% | 0.827 | S | S | * | * | -145.5 | 0 | 117.8 | -148.9 | 174.4 | -166.1 | 178.2 | 3.9 | 110.7 |
Retrieved 745 of 745 residues in 317.8 ms
(Link to these results)