| 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 | 40.6 | Very low | 42.8 | Very low | 245 Ų | 245 | 153.4 Ų | 153.4 | 100% | 1.207 | 84% | 0.843 | S | S | * | * | 0 | 91.4 | 0 | -79.7 | -81.8 | -125 | 0 | 0 | 106.7 | |||||
| 2 | E | 36.1 | Very low | 42.4 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -79.3 | 133.5 | 171.5 | -73.9 | 168.2 | 145.5 | 0 | 0 | 108.6 | ||||
| 3 | S | 45.3 | Very low | 42.7 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 69% | 0.692 | 83% | 0.834 | S | S | * | * | trans | -127.1 | 95.8 | 164.4 | 56.2 | 0 | 0 | 0 | 0 | 108.4 | Y5 | S3-Y5 PolarHBondContact O-N 3.26Š| ||
| 4 | L | 45.2 | Very low | 43.2 | Very low | 165 Ų | 165 | 150 Ų | 150 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -68 | 103.7 | 170.4 | -74.3 | 154.6 | 0 | 0 | 0 | 109 | Q6 | L4-Q6 PolarHBondContact O-N 2.94Š| ||
| 5 | Y | 42.1 | Very low | 43.2 | Very low | 217 Ų | 217 | 150.3 Ų | 150.3 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -89.9 | 98 | 161.2 | -87.6 | -87 | 0 | 0 | 0 | 108.5 | S3 A7 | S3-Y5 PolarHBondContact O-N 3.26Å; Y5-A7 PolarHBondContact O-N 3.39Å | ||
| 6 | Q | 39.7 | Very low | 43.8 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -77.1 | 95 | 173.3 | -173.8 | 168.3 | 1.2 | 0 | 0 | 108.8 | L4 G8 | L4-Q6 PolarHBondContact O-N 2.94Å; Q6-G8 PolarHBondContact O-N 2.87Å | ||
| 7 | A | 45.8 | Very low | 44.1 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | trans | -72.4 | 108.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y5 S9 | Y5-A7 PolarHBondContact O-N 3.39Å; A7-S9 PolarHBondContact O-N 3.35Å; A7-S9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | G | 45.9 | Very low | 44.3 | Very low | 71 Ų | 71 | 152.6 Ų | 152.6 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | trans | -61.6 | 112.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q6 I10 | Q6-G8 PolarHBondContact O-N 2.87Å; G8-I10 PolarHBondContact O-N 3.27Å | ||
| 9 | S | 42.8 | Very low | 44.1 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -69.3 | 114.5 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | A7 L11 | A7-S9 PolarHBondContact O-N 3.35Å; A7-S9 VanDerWaalsContact O-N 3.16Å; S9-L11 PolarHBondContact O-N 3.06Å | ||
| 10 | I | 46.9 | Very low | 44.9 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | trans | -76.9 | 107.8 | 165.5 | -62.1 | 174.3 | 0 | 0 | 0 | 106.8 | G8 M12 | G8-I10 PolarHBondContact O-N 3.27Å; I10-M12 PolarHBondContact O-N 3.43Å | ||
| 11 | L | 40.3 | Very low | 45.2 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 78% | 0.775 | 84% | 0.836 | S | S | * | * | trans | -64.4 | 102 | 175.1 | -174.3 | 75.2 | 0 | 0 | 0 | 109.5 | S9 | S9-L11 PolarHBondContact O-N 3.06Š| ||
| 12 | M | 37.9 | Very low | 45.2 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 82% | 0.823 | 81% | 0.814 | S | S | * | * | trans | -84.8 | 110.4 | 166.4 | -70.9 | -140.3 | 98.2 | 0 | 0 | 109.6 | I10 V14 | I10-M12 PolarHBondContact O-N 3.43Å; M12-V14 PolarHBondContact O-N 3.3Å | ||
| 13 | T | 46.3 | Very low | 45.9 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -74.5 | 106.2 | 169.8 | 39.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 14 | V | 49.4 | Very low | 46.1 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 75% | 0.745 | 82% | 0.822 | S | S | * | * | trans | -84.2 | 115.6 | 168.4 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | M12 T16 | M12-V14 PolarHBondContact O-N 3.3Å; V14-T16 PolarHBondContact O-N 3.38Å; V14-T16 VanDerWaalsContact O-N 3.07Å | ||
| 15 | N | 44.5 | Very low | 45.9 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -68.3 | 100.4 | 173.4 | -93.6 | -30.5 | 0 | 0 | 0 | 109.9 | L17 | N15-L17 PolarHBondContact O-N 3.45Š| ||
| 16 | T | 51.7 | Low | 46.4 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -87.4 | 96.2 | 164.7 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | V14 | V14-T16 PolarHBondContact O-N 3.38Å; V14-T16 VanDerWaalsContact O-N 3.07Å | ||
| 17 | L | 49.6 | Very low | 46.6 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -124.1 | 132.2 | 160.4 | -82 | 174.6 | 0 | 0 | 0 | 109.1 | N15 | N15-L17 PolarHBondContact O-N 3.45Š| ||
| 18 | Q | 48 | Very low | 46.6 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | 99.1 | 98 | 159.8 | -140.8 | 168.9 | 37.7 | 0 | 0 | 116.9 | ||||
| 19 | G | 39.2 | Very low | 46.6 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 172.5 | 34.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K21 | G19-K21 PolarHBondContact O-N 2.84Š| ||
| 20 | K | 60.7 | Low | 46.6 | Very low | 212 Ų | 212 | 142.1 Ų | 142.1 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -78.3 | 86.4 | 178 | -165.6 | 179.8 | -172.4 | 177.6 | 0 | 109.8 | ||||
| 21 | K | 51.4 | Low | 46.5 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 152.2 | 103.9 | 151.6 | -93.6 | -170.1 | 174 | -172.1 | 0 | 110.1 | G19 | G19-K21 PolarHBondContact O-N 2.84Š| ||
| 22 | M | 40.4 | Very low | 46.7 | Very low | 151 Ų | 151 | 144 Ų | 144 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -173.3 | 80.5 | 137.4 | -119.5 | 180 | 46.8 | 0 | 0 | 108.7 | ||||
| 23 | V | 50.6 | Low | 47.4 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -105.2 | 138.1 | 152.1 | 174.9 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 24 | E | 49.6 | Very low | 47.6 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | 91.7 | 43.9 | -178.5 | -50.7 | -171.8 | 155 | 0 | 0 | 118.2 | ||||
| 25 | S | 42.3 | Very low | 47.3 | Very low | 72 Ų | 72 | 140 Ų | 140 | 50% | 0.503 | 78% | 0.784 | S | S | . | * | S | Bend | trans | -132.4 | 115.1 | 142.8 | 39.7 | 0 | 0 | 0 | 0 | 108.4 | L27 | S25-L27 PolarHBondContact O-N 3Š|
| 26 | G | 50.8 | Low | 47.5 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -58.9 | 90.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q28 | G26-Q28 PolarHBondContact O-N 2.91Š| ||
| 27 | L | 44.8 | Very low | 47.5 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | -87.8 | 100.9 | 156.7 | -64 | 178.3 | 0 | 0 | 0 | 105.6 | S25 S29 | S25-L27 PolarHBondContact O-N 3Å; L27-S29 PolarHBondContact O-N 3.44Å; L27-S29 VanDerWaalsContact O-N 3.17Å | ||
| 28 | Q | 45.6 | Very low | 47.8 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -41.7 | 124.5 | 163.7 | -71.7 | 174.1 | -20.9 | 0 | 0 | 107.5 | G26 G30 | G26-Q28 PolarHBondContact O-N 2.91Å; Q28-G30 VanDerWaalsContact C-N 3.26Å; Q28-G30 PolarHBondContact O-N 3.49Å | ||
| 29 | S | 45.3 | Very low | 47.9 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -49.7 | 101.5 | 163.1 | 178.6 | 0 | 0 | 0 | 0 | 105.8 | L27 D31 | L27-S29 PolarHBondContact O-N 3.44Å; L27-S29 VanDerWaalsContact O-N 3.17Å; S29-D31 PolarHBondContact O-N 3.03Å | ||
| 30 | G | 42.8 | Very low | 48.6 | Very low | 55 Ų | 55 | 140.9 Ų | 140.9 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | trans | -59.7 | 109.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | Q28 F32 | Q28-G30 VanDerWaalsContact C-N 3.26Å; Q28-G30 PolarHBondContact O-N 3.49Å; G30-F32 PolarHBondContact O-N 3.04Å | ||
| 31 | D | 45.2 | Very low | 48.6 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -50.7 | 116.2 | 171.5 | -78.8 | -32.7 | 0 | 0 | 0 | 106.5 | S29 S33 | S29-D31 PolarHBondContact O-N 3.03Å; D31-S33 PolarHBondContact O-N 3.48Å | ||
| 32 | F | 44.8 | Very low | 49.1 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -70.5 | 59.3 | 161.3 | -73.4 | -85.1 | 0 | 0 | 0 | 108 | G30 L34 | G30-F32 PolarHBondContact O-N 3.04Å; F32-L34 PolarHBondContact O-N 2.8Å | ||
| 33 | S | 52.5 | Low | 50.3 | Low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | -67 | 91.7 | 157.7 | -61.5 | 0 | 0 | 0 | 0 | 104.7 | D31 S35 | D31-S33 PolarHBondContact O-N 3.48Å; S33-S35 PolarHBondContact O-N 3.11Å | ||
| 34 | L | 50 | Low | 51.6 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -47.6 | 114.8 | 163.4 | -71.2 | 169.1 | 0 | 0 | 0 | 105.8 | F32 Q36 | F32-L34 PolarHBondContact O-N 2.8Å; L34-Q36 PolarHBondContact O-N 3.38Å | ||
| 35 | S | 44.5 | Very low | 52.9 | Low | 93 Ų | 93 | 121.8 Ų | 121.8 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -46.8 | 115.5 | 177 | -75 | 0 | 0 | 0 | 0 | 108.3 | S33 S37 | S33-S35 PolarHBondContact O-N 3.11Å; S35-S37 PolarHBondContact O-N 2.9Å | ||
| 36 | Q | 48.6 | Very low | 54.8 | Low | 205 Ų | 205 | 121.1 Ų | 121.1 | 96% | 0.958 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -70.7 | 40.7 | 177.6 | -73.1 | -173.5 | -1.2 | 0 | 0 | 111.9 | L34 | L34-Q36 PolarHBondContact O-N 3.38Š|
| 37 | S | 50.8 | Low | 56.5 | Low | 92 Ų | 92 | 121.3 Ų | 121.3 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | trans | -133.8 | 60.4 | 174 | 66.5 | 0 | 0 | 0 | 0 | 108.3 | S35 | S35-S37 PolarHBondContact O-N 2.9Š| ||
| 38 | W | 55.3 | Low | 58.5 | Low | 217 Ų | 217 | 117.9 Ų | 117.9 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | trans | -66.4 | 129.5 | 150.8 | -82.8 | 57.9 | 0 | 0 | 0 | 106.2 | S40 | W38-S40 PolarHBondContact O-N 3.38Š| ||
| 39 | P | 49.8 | Very low | 60.5 | Low | 102 Ų | 102 | 115.4 Ų | 115.4 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | trans | -57.8 | 120.3 | 167.6 | -11.4 | 25 | 0 | 0 | 0 | 106.1 | C41 | P39-C41 HydrophobicContact CB-CB 4.44Å; P39-C41 PolarHBondContact O-N 3.42Å | ||
| 40 | S | 54.5 | Low | 62.7 | Low | 126 Ų | 126 | 114.3 Ų | 114.3 | 88% | 0.881 | 65% | 0.65 | S | S | * | * | trans | -64.8 | 15.9 | 176 | -31.1 | 0 | 0 | 0 | 0 | 113.1 | W38 | W38-S40 PolarHBondContact O-N 3.38Š| ||
| 41 | C | 60.1 | Low | 65.1 | Low | 100 Ų | 100 | 116.4 Ų | 116.4 | 68% | 0.676 | 65% | 0.648 | S | S | * | * | trans | -92.7 | 107.5 | -176 | -38.5 | 0 | 0 | 0 | 0 | 107.1 | P39 | P39-C41 HydrophobicContact CB-CB 4.44Å; P39-C41 PolarHBondContact O-N 3.42Å | ||
| 42 | L | 62.4 | Low | 67.4 | Low | 153 Ų | 153 | 116.8 Ų | 116.8 | 80% | 0.801 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 136.5 | 161.5 | -76.2 | 161.8 | 0 | 0 | 0 | 108.1 | ||
| 43 | P | 66 | Low | 69.9 | Low | 62 Ų | 62 | 114.3 Ų | 114.3 | 40% | 0.403 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 144 | 175.1 | -15.9 | 26.8 | 0 | 0 | 0 | 108.7 | D47 L48 | P43-D47 HydrophobicContact CB-CB 4.3Å; P43-L48 HydrophobicContact CB-CD2 4.3Å; P43-L48 HydrophobicContact CB-CG 4.11Å; P43-L48 HydrophobicContact CG-CD2 3.97Å; P43-L48 HydrophobicContact CG-CG 4.27Å |
| 44 | P | 78.1 | Confident | 71.9 | Confident | 76 Ų | 76 | 116.4 Ų | 116.4 | 49% | 0.494 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -46.3 | 138.4 | 173.3 | -27.2 | 33.5 | 0 | 0 | 0 | 110.4 | A46 D47 L48 | P44-A46 PolarHBondContact O-N 3.47Å; P44-D47 WeakPolarHBondContact CD-OD2 3.46Å; P44-D47 WeakPolarHBondContact O-CB 3.43Å; P44-D47 PolarHBondContact O-N 3.44Å; P44-L48 PolarHBondContact O-N 3.45Å |
| 45 | P | 77.6 | Confident | 74.2 | Confident | 101 Ų | 101 | 112.9 Ų | 112.9 | 66% | 0.656 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -50.6 | -34.5 | -175.6 | -28.9 | 33.7 | 0 | 0 | 0 | 114.1 | D47 L48 E49 | P45-D47 PolarHBondContact O-N 2.89Å; P45-L48 PolarHBondContact O-N 3.24Å; P45-E49 PolarHBondContact O-N 2.99Å |
| 46 | A | 81.6 | Confident | 76.6 | Confident | 57 Ų | 57 | 110.5 Ų | 110.5 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.9 | -38.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P44 L48 E49 I50 | P44-A46 PolarHBondContact O-N 3.47Å; A46-L48 VanDerWaalsContact C-N 3.35Å; A46-E49 PolarHBondContact O-N 3.41Å; A46-I50 WeakPolarHBondContact O-CD1 3.46Å; A46-I50 VanDerWaalsContact O-CG1 3.23Å; A46-I50 WeakPolarHBondContact O-CG1 3.38Å; A46-I50 PolarHBondContact O-N 2.97Å |
| 47 | D | 85.5 | Confident | 78.9 | Confident | 87 Ų | 87 | 101.7 Ų | 101.7 | 47% | 0.465 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.7 | -32.9 | 179.2 | -65.8 | -26.7 | 0 | 0 | 0 | 111.4 | P43 P44 P45 L51 | P43-D47 HydrophobicContact CB-CB 4.3Å; P44-D47 WeakPolarHBondContact CD-OD2 3.46Å; P44-D47 WeakPolarHBondContact O-CB 3.43Å; P44-D47 PolarHBondContact O-N 3.44Å; P45-D47 PolarHBondContact O-N 2.89Å; D47-L51 WeakPolarHBondContact O-CB 3.38Å; D47-L51 PolarHBondContact O-N 3.03Å |
| 48 | L | 86.9 | Confident | 81.2 | Confident | 81 Ų | 81 | 101.6 Ų | 101.6 | 42% | 0.424 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.5 | -41.2 | 173.4 | -71 | 170.8 | 0 | 0 | 0 | 111.8 | P43 P44 P45 A46 L51 Q52 | P43-L48 HydrophobicContact CB-CD2 4.3Å; P43-L48 HydrophobicContact CB-CG 4.11Å; P43-L48 HydrophobicContact CG-CD2 3.97Å; P43-L48 HydrophobicContact CG-CG 4.27Å; P44-L48 PolarHBondContact O-N 3.45Å; P45-L48 PolarHBondContact O-N 3.24Å; A46-L48 VanDerWaalsContact C-N 3.35Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-Q52 WeakPolarHBondContact O-CB 3.23Å; L48-Q52 PolarHBondContact O-N 2.98Å |
| 49 | E | 89 | Confident | 83.2 | Confident | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.8 | -44.1 | 174.9 | -75.9 | -179.4 | 177.2 | 0 | 0 | 111.9 | P45 A46 L51 Q52 Q53 | P45-E49 PolarHBondContact O-N 2.99Å; A46-E49 PolarHBondContact O-N 3.41Å; E49-L51 VanDerWaalsContact C-N 3.31Å; E49-L51 PolarHBondContact O-N 3.44Å; E49-Q52 PolarHBondContact O-N 3.35Å; E49-Q53 WeakPolarHBondContact O-CB 3.41Å; E49-Q53 PolarHBondContact O-N 3.43Å |
| 50 | I | 91.6 | Very high | 85.5 | Confident | 84 Ų | 84 | 100.1 Ų | 100.1 | 43% | 0.431 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.1 | -68.9 | 161.4 | 0 | 0 | 0 | 110.5 | A46 Q53 K54 | A46-I50 WeakPolarHBondContact O-CD1 3.46Å; A46-I50 VanDerWaalsContact O-CG1 3.23Å; A46-I50 WeakPolarHBondContact O-CG1 3.38Å; A46-I50 PolarHBondContact O-N 2.97Å; I50-Q53 PolarHBondContact O-N 2.9Å; I50-K54 HydrophobicContact CG2-CD 4.31Å; I50-K54 WeakPolarHBondContact O-CG 3.34Å; I50-K54 PolarHBondContact O-N 3.15Å |
| 51 | L | 93.1 | Very high | 87.6 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 177.8 | -175.6 | 63.3 | 0 | 0 | 0 | 111.2 | D47 L48 E49 Q53 K54 V55 | D47-L51 WeakPolarHBondContact O-CB 3.38Å; D47-L51 PolarHBondContact O-N 3.03Å; L48-L51 PolarHBondContact O-N 3.43Å; E49-L51 VanDerWaalsContact C-N 3.31Å; E49-L51 PolarHBondContact O-N 3.44Å; L51-Q53 VanDerWaalsContact C-N 3.33Å; L51-Q53 PolarHBondContact O-N 3.17Å; L51-K54 PolarHBondContact O-N 3.38Å; L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 2.94Å |
| 52 | Q | 93.6 | Very high | 89.4 | Confident | 143 Ų | 143 | 100.8 Ų | 100.8 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 178.2 | -171.4 | 171.1 | 18.8 | 0 | 0 | 111.6 | L48 E49 V55 A56 | L48-Q52 WeakPolarHBondContact O-CB 3.23Å; L48-Q52 PolarHBondContact O-N 2.98Å; E49-Q52 PolarHBondContact O-N 3.35Å; Q52-V55 PolarHBondContact O-N 3.09Å; Q52-A56 WeakPolarHBondContact O-CB 3.3Å; Q52-A56 PolarHBondContact O-N 3.16Å |
| 53 | Q | 95.4 | Very high | 91.1 | Very high | 150 Ų | 150 | 97.8 Ų | 97.8 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 176.1 | -169.5 | 171.9 | 8.3 | 0 | 0 | 112 | E49 I50 L51 A56 G57 | E49-Q53 WeakPolarHBondContact O-CB 3.41Å; E49-Q53 PolarHBondContact O-N 3.43Å; I50-Q53 PolarHBondContact O-N 2.9Å; L51-Q53 VanDerWaalsContact C-N 3.33Å; L51-Q53 PolarHBondContact O-N 3.17Å; Q53-A56 PolarHBondContact O-N 2.93Å; Q53-G57 PolarHBondContact O-N 2.78Å |
| 54 | K | 96.4 | Very high | 92.6 | Very high | 136 Ų | 136 | 98.9 Ų | 98.9 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 174.4 | -75.8 | 178 | 179.2 | 179.3 | 0 | 112.2 | I50 L51 A56 G57 V58 | I50-K54 HydrophobicContact CG2-CD 4.31Å; I50-K54 WeakPolarHBondContact O-CG 3.34Å; I50-K54 PolarHBondContact O-N 3.15Å; L51-K54 PolarHBondContact O-N 3.38Å; K54-A56 VanDerWaalsContact C-N 3.33Å; K54-A56 PolarHBondContact O-N 3.25Å; K54-G57 PolarHBondContact O-N 2.89Å; K54-G57 VanDerWaalsContact O-N 3.15Å; K54-V58 WeakPolarHBondContact O-CG2 3.37Å; K54-V58 PolarHBondContact O-N 2.91Å |
| 55 | V | 96.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 101.9 Ų | 101.9 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.6 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | L51 Q52 G57 V58 Q59 | L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 2.94Å; Q52-V55 PolarHBondContact O-N 3.09Å; V55-G57 VanDerWaalsContact C-N 3.3Å; V55-G57 PolarHBondContact O-N 3Å; V55-V58 PolarHBondContact O-N 3.21Å; V55-Q59 HydrophobicContact CG1-CG 4.44Å; V55-Q59 WeakPolarHBondContact O-CB 3.34Å; V55-Q59 VanDerWaalsContact O-CG 3.3Å; V55-Q59 WeakPolarHBondContact O-CG 3.42Å; V55-Q59 PolarHBondContact O-N 3.49Å |
| 56 | A | 96.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 102.2 Ų | 102.2 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q52 Q53 K54 R60 | Q52-A56 WeakPolarHBondContact O-CB 3.3Å; Q52-A56 PolarHBondContact O-N 3.16Å; Q53-A56 PolarHBondContact O-N 2.93Å; K54-A56 VanDerWaalsContact C-N 3.33Å; K54-A56 PolarHBondContact O-N 3.25Å; A56-R60 PolarHBondContact O-N 3.46Å; A56-R60 VanDerWaalsContact O-N 3.16Å |
| 57 | G | 97.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 105.6 Ų | 105.6 | 21% | 0.206 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63 | -52.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q53 K54 V55 Q59 R60 E61 | Q53-G57 PolarHBondContact O-N 2.78Å; K54-G57 PolarHBondContact O-N 2.89Å; K54-G57 VanDerWaalsContact O-N 3.15Å; V55-G57 VanDerWaalsContact C-N 3.3Å; V55-G57 PolarHBondContact O-N 3Å; G57-Q59 VanDerWaalsContact C-N 3.31Å; G57-Q59 PolarHBondContact O-N 3.3Å; G57-R60 WeakPolarHBondContact O-CB 3.42Å; G57-R60 PolarHBondContact O-N 2.96Å; G57-R60 VanDerWaalsContact O-N 3.09Å; G57-E61 PolarHBondContact O-N 3.35Å |
| 58 | V | 97.8 | Very high | 96 | Very high | 90 Ų | 90 | 106.4 Ų | 106.4 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | K54 V55 R60 E61 L62 | K54-V58 WeakPolarHBondContact O-CG2 3.37Å; K54-V58 PolarHBondContact O-N 2.91Å; V55-V58 PolarHBondContact O-N 3.21Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.44Å; V58-E61 PolarHBondContact O-N 2.96Å; V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.48Å |
| 59 | Q | 97.6 | Very high | 96.6 | Very high | 120 Ų | 120 | 105 Ų | 105 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.3 | -39.8 | 175 | -78.4 | 176.3 | -11.2 | 0 | 0 | 112.1 | V55 G57 L62 E63 | V55-Q59 HydrophobicContact CG1-CG 4.44Å; V55-Q59 WeakPolarHBondContact O-CB 3.34Å; V55-Q59 VanDerWaalsContact O-CG 3.3Å; V55-Q59 WeakPolarHBondContact O-CG 3.42Å; V55-Q59 PolarHBondContact O-N 3.49Å; G57-Q59 VanDerWaalsContact C-N 3.31Å; G57-Q59 PolarHBondContact O-N 3.3Å; Q59-L62 PolarHBondContact O-N 2.99Å; Q59-E63 PolarHBondContact O-N 3.27Å; Q59-E63 VanDerWaalsContact O-N 3.11Å |
| 60 | R | 98.2 | Very high | 97 | Very high | 167 Ų | 167 | 102.5 Ų | 102.5 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -47.3 | 176.4 | -169.6 | -174.4 | -57.4 | 141.6 | 4.6 | 111.5 | A56 G57 V58 L62 E63 D64 | A56-R60 PolarHBondContact O-N 3.46Å; A56-R60 VanDerWaalsContact O-N 3.16Å; G57-R60 WeakPolarHBondContact O-CB 3.42Å; G57-R60 PolarHBondContact O-N 2.96Å; G57-R60 VanDerWaalsContact O-N 3.09Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.44Å; R60-L62 VanDerWaalsContact C-N 3.25Å; R60-L62 PolarHBondContact O-N 3.41Å; R60-E63 PolarHBondContact O-N 3.34Å; R60-E63 VanDerWaalsContact O-N 3.17Å; R60-D64 PolarHBondContact O-N 3.26Å |
| 61 | E | 98.2 | Very high | 97.4 | Very high | 135 Ų | 135 | 103.1 Ų | 103.1 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.8 | -39.1 | 176.9 | -71 | 172.3 | -170.7 | 0 | 0 | 111.7 | G57 V58 D64 F65 | G57-E61 PolarHBondContact O-N 3.35Å; V58-E61 PolarHBondContact O-N 2.96Å; E61-D64 PolarHBondContact O-N 3.45Å; E61-F65 VanDerWaalsContact O-CB 3.28Å; E61-F65 WeakPolarHBondContact O-CB 3.34Å; E61-F65 PolarHBondContact O-N 2.79Å |
| 62 | L | 98.3 | Very high | 97.6 | Very high | 106 Ų | 106 | 100.9 Ų | 100.9 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 176.3 | -178.1 | 62.1 | 0 | 0 | 0 | 112.2 | V58 Q59 R60 F65 K66 | V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.48Å; Q59-L62 PolarHBondContact O-N 2.99Å; R60-L62 VanDerWaalsContact C-N 3.25Å; R60-L62 PolarHBondContact O-N 3.41Å; L62-F65 PolarHBondContact O-N 3.47Å; L62-K66 VanDerWaalsContact O-CB 3.31Å; L62-K66 WeakPolarHBondContact O-CB 3.33Å; L62-K66 PolarHBondContact O-N 2.87Å |
| 63 | E | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 176.8 | -73.1 | -58.8 | 146.4 | 0 | 0 | 112.2 | Q59 R60 K66 K67 | Q59-E63 PolarHBondContact O-N 3.27Å; Q59-E63 VanDerWaalsContact O-N 3.11Å; R60-E63 PolarHBondContact O-N 3.34Å; R60-E63 VanDerWaalsContact O-N 3.17Å; E63-K66 PolarHBondContact O-N 2.99Å; E63-K66 IonicContact OE2-NZ 3.75Å; E63-K67 WeakPolarHBondContact O-CG 3.33Å; E63-K67 PolarHBondContact O-N 3.47Å |
| 64 | D | 98.2 | Very high | 98 | Very high | 85 Ų | 85 | 95.3 Ų | 95.3 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 176.2 | -69 | -22.3 | 0 | 0 | 0 | 111.2 | R60 E61 K66 K67 E68 | R60-D64 PolarHBondContact O-N 3.26Å; E61-D64 PolarHBondContact O-N 3.45Å; D64-K66 VanDerWaalsContact C-N 3.34Å; D64-K66 PolarHBondContact O-N 2.89Å; D64-K67 PolarHBondContact O-N 2.75Å; D64-K67 IonicContact OD1-NZ 3.72Å; D64-E68 PolarHBondContact O-N 3.16Å |
| 65 | F | 98.4 | Very high | 98.1 | Very high | 139 Ų | 139 | 95.4 Ų | 95.4 | 61% | 0.61 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.3 | -44.5 | 172.7 | 174.8 | -99.5 | 0 | 0 | 0 | 111.9 | E61 L62 K67 E68 T69 | E61-F65 VanDerWaalsContact O-CB 3.28Å; E61-F65 WeakPolarHBondContact O-CB 3.34Å; E61-F65 PolarHBondContact O-N 2.79Å; L62-F65 PolarHBondContact O-N 3.47Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 2.93Å; F65-E68 PolarHBondContact O-N 2.96Å; F65-T69 WeakPolarHBondContact CE1-OG1 3.31Å; F65-T69 WeakPolarHBondContact CZ-OG1 3.28Å; F65-T69 WeakPolarHBondContact O-CB 3.46Å; F65-T69 PolarHBondContact O-N 3.3Å; F65-T69 PolarHBondContact O-OG1 2.85Å |
| 66 | K | 98.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 98 Ų | 98 | 47% | 0.47 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 176.8 | 175.9 | -175 | 169.1 | -168.1 | 0 | 111.5 | L62 E63 D64 T69 L70 | L62-K66 VanDerWaalsContact O-CB 3.31Å; L62-K66 WeakPolarHBondContact O-CB 3.33Å; L62-K66 PolarHBondContact O-N 2.87Å; E63-K66 PolarHBondContact O-N 2.99Å; E63-K66 IonicContact OE2-NZ 3.75Å; D64-K66 VanDerWaalsContact C-N 3.34Å; D64-K66 PolarHBondContact O-N 2.89Å; K66-T69 PolarHBondContact O-N 3.16Å; K66-L70 HydrophobicContact CG-CD1 4.16Å; K66-L70 WeakPolarHBondContact O-CB 3.46Å; K66-L70 WeakPolarHBondContact O-CG 3.39Å; K66-L70 PolarHBondContact O-N 3Å |
| 67 | K | 98.5 | Very high | 98.3 | Very high | 128 Ų | 128 | 100.6 Ų | 100.6 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 176.8 | -73.6 | 170.4 | -170.8 | 163.1 | 0 | 111.7 | E63 D64 F65 T69 L70 K71 | E63-K67 WeakPolarHBondContact O-CG 3.33Å; E63-K67 PolarHBondContact O-N 3.47Å; D64-K67 PolarHBondContact O-N 2.75Å; D64-K67 IonicContact OD1-NZ 3.72Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 2.93Å; K67-T69 VanDerWaalsContact C-N 3.33Å; K67-T69 PolarHBondContact O-N 3.5Å; K67-L70 PolarHBondContact O-N 2.97Å; K67-K71 WeakPolarHBondContact O-CB 3.4Å; K67-K71 PolarHBondContact O-N 3.29Å |
| 68 | E | 98.5 | Very high | 98.4 | Very high | 105 Ų | 105 | 104.2 Ų | 104.2 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | -178.7 | -166.7 | 59 | -148.9 | 0 | 0 | 111.8 | D64 F65 K71 S72 | D64-E68 PolarHBondContact O-N 3.16Å; F65-E68 PolarHBondContact O-N 2.96Å; E68-K71 PolarHBondContact O-N 2.89Å; E68-S72 WeakPolarHBondContact O-CB 3.49Å; E68-S72 PolarHBondContact O-N 2.86Å; E68-S72 PolarHBondContact O-OG 3.08Å |
| 69 | T | 98.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 102.7 Ų | 102.7 | 31% | 0.307 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 174.8 | -58.1 | 0 | 0 | 0 | 0 | 111 | F65 K66 K67 K71 S72 I73 | F65-T69 WeakPolarHBondContact CE1-OG1 3.31Å; F65-T69 WeakPolarHBondContact CZ-OG1 3.28Å; F65-T69 WeakPolarHBondContact O-CB 3.46Å; F65-T69 PolarHBondContact O-N 3.3Å; F65-T69 PolarHBondContact O-OG1 2.85Å; K66-T69 PolarHBondContact O-N 3.16Å; K67-T69 VanDerWaalsContact C-N 3.33Å; K67-T69 PolarHBondContact O-N 3.5Å; T69-K71 VanDerWaalsContact C-N 3.32Å; T69-K71 PolarHBondContact O-N 3.19Å; T69-S72 WeakPolarHBondContact O-CB 3.43Å; T69-S72 PolarHBondContact O-N 3.34Å; T69-I73 HydrophobicContact CG2-CD1 4.01Å; T69-I73 VanDerWaalsContact O-CG1 3.31Å; T69-I73 WeakPolarHBondContact O-CG1 3.48Å; T69-I73 PolarHBondContact O-N 3.08Å |
| 70 | L | 98.7 | Very high | 98.5 | Very high | 84 Ų | 84 | 103.2 Ų | 103.2 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.3 | -76.4 | 170.8 | 0 | 0 | 0 | 111.9 | K66 K67 S72 I73 H74 | K66-L70 HydrophobicContact CG-CD1 4.16Å; K66-L70 WeakPolarHBondContact O-CB 3.46Å; K66-L70 WeakPolarHBondContact O-CG 3.39Å; K66-L70 PolarHBondContact O-N 3Å; K67-L70 PolarHBondContact O-N 2.97Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.14Å; L70-I73 PolarHBondContact O-N 3.36Å; L70-H74 PolarHBondContact O-CD2 3.41Å; L70-H74 VanDerWaalsContact O-CD2 3.3Å; L70-H74 PolarHBondContact O-N 2.9Å |
| 71 | K | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 99.3 Ų | 99.3 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.4 | -169.5 | -170 | -177.1 | -163.3 | 0 | 111.5 | K67 E68 T69 I73 H74 Y75 | K67-K71 WeakPolarHBondContact O-CB 3.4Å; K67-K71 PolarHBondContact O-N 3.29Å; E68-K71 PolarHBondContact O-N 2.89Å; T69-K71 VanDerWaalsContact C-N 3.32Å; T69-K71 PolarHBondContact O-N 3.19Å; K71-I73 VanDerWaalsContact C-N 3.35Å; K71-H74 PolarHBondContact O-N 2.74Å; K71-Y75 HydrophobicContact CD-CE2 4.03Å; K71-Y75 WeakPolarHBondContact CE-OH 3.48Å; K71-Y75 HydrophobicContact CG-CD2 4.15Å; K71-Y75 HydrophobicContact CG-CE2 3.62Å; K71-Y75 WeakPolarHBondContact O-CD2 3.31Å; K71-Y75 PolarHBondContact O-N 3.09Å; K71-Y75 VanDerWaalsContact O-N 3.09Å |
| 72 | S | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 99.8 Ų | 99.8 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 177 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | E68 T69 L70 Y75 L76 | E68-S72 WeakPolarHBondContact O-CB 3.49Å; E68-S72 PolarHBondContact O-N 2.86Å; E68-S72 PolarHBondContact O-OG 3.08Å; T69-S72 WeakPolarHBondContact O-CB 3.43Å; T69-S72 PolarHBondContact O-N 3.34Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.14Å; S72-Y75 PolarHBondContact O-N 3.33Å; S72-L76 PolarHBondContact O-N 2.91Å; S72-L76 VanDerWaalsContact O-N 3.08Å |
| 73 | I | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 100.6 Ų | 100.6 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 175 | -70.5 | 166.9 | 0 | 0 | 0 | 110.2 | T69 L70 K71 Y75 L76 E77 | T69-I73 HydrophobicContact CG2-CD1 4.01Å; T69-I73 VanDerWaalsContact O-CG1 3.31Å; T69-I73 WeakPolarHBondContact O-CG1 3.48Å; T69-I73 PolarHBondContact O-N 3.08Å; L70-I73 PolarHBondContact O-N 3.36Å; K71-I73 VanDerWaalsContact C-N 3.35Å; I73-Y75 PolarHBondContact O-N 2.89Å; I73-L76 CarbonylContact O-C 3.6Å; I73-L76 WeakPolarHBondContact O-CA 3.33Å; I73-L76 WeakPolarHBondContact O-CB 3.32Å; I73-L76 PolarHBondContact O-N 2.84Å; I73-L76 VanDerWaalsContact O-N 3.08Å; I73-E77 HydrophobicContact CG2-CG 4.26Å; I73-E77 WeakPolarHBondContact O-CG 3.41Å; I73-E77 PolarHBondContact O-N 3.33Å |
| 74 | H | 98.7 | Very high | 98.5 | Very high | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.468 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 178.4 | -72.5 | -42.8 | 0 | 0 | 0 | 112.8 | L70 K71 L76 E77 D78 | L70-H74 PolarHBondContact O-CD2 3.41Å; L70-H74 VanDerWaalsContact O-CD2 3.3Å; L70-H74 PolarHBondContact O-N 2.9Å; K71-H74 PolarHBondContact O-N 2.74Å; H74-L76 VanDerWaalsContact C-N 3.27Å; H74-L76 PolarHBondContact O-N 2.98Å; H74-E77 IonicContact CE1-OE2 3.69Å; H74-E77 IonicContact CG-OE2 3.44Å; H74-E77 IonicContact ND1-OE2 2.89Å; H74-E77 PolarHBondContact ND1-OE2 3.41Å; H74-E77 PolarHBondContact O-N 3.07Å; H74-D78 PolarHBondContact O-N 2.97Å |
| 75 | Y | 98.6 | Very high | 98.5 | Very high | 139 Ų | 139 | 97.6 Ų | 97.6 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -37.4 | 174 | -74 | -57.5 | 0 | 0 | 0 | 113 | K71 S72 I73 S79 | K71-Y75 HydrophobicContact CD-CE2 4.03Å; K71-Y75 WeakPolarHBondContact CE-OH 3.48Å; K71-Y75 HydrophobicContact CG-CD2 4.15Å; K71-Y75 HydrophobicContact CG-CE2 3.62Å; K71-Y75 WeakPolarHBondContact O-CD2 3.31Å; K71-Y75 PolarHBondContact O-N 3.09Å; K71-Y75 VanDerWaalsContact O-N 3.09Å; S72-Y75 PolarHBondContact O-N 3.33Å; I73-Y75 PolarHBondContact O-N 2.89Å; Y75-S79 WeakPolarHBondContact O-CB 3.14Å; Y75-S79 PolarHBondContact O-N 3.31Å; Y75-S79 PolarHBondContact O-OG 3.21Å |
| 76 | L | 98.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 93.7 Ų | 93.7 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 174.7 | -100.4 | 146.2 | 0 | 0 | 0 | 111.8 | S72 I73 H74 S79 F80 | S72-L76 PolarHBondContact O-N 2.91Å; S72-L76 VanDerWaalsContact O-N 3.08Å; I73-L76 CarbonylContact O-C 3.6Å; I73-L76 WeakPolarHBondContact O-CA 3.33Å; I73-L76 WeakPolarHBondContact O-CB 3.32Å; I73-L76 PolarHBondContact O-N 2.84Å; I73-L76 VanDerWaalsContact O-N 3.08Å; H74-L76 VanDerWaalsContact C-N 3.27Å; H74-L76 PolarHBondContact O-N 2.98Å; L76-S79 PolarHBondContact O-N 3.08Å; L76-F80 VanDerWaalsContact O-CB 3.25Å; L76-F80 WeakPolarHBondContact O-CB 3.45Å; L76-F80 PolarHBondContact O-N 3.41Å |
| 77 | E | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 92.3 Ų | 92.3 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 176 | -71.7 | 173.1 | 156.6 | 0 | 0 | 111.4 | I73 H74 F80 C81 | I73-E77 HydrophobicContact CG2-CG 4.26Å; I73-E77 WeakPolarHBondContact O-CG 3.41Å; I73-E77 PolarHBondContact O-N 3.33Å; H74-E77 IonicContact CE1-OE2 3.69Å; H74-E77 IonicContact CG-OE2 3.44Å; H74-E77 IonicContact ND1-OE2 2.89Å; H74-E77 PolarHBondContact ND1-OE2 3.41Å; H74-E77 PolarHBondContact O-N 3.07Å; E77-F80 PolarHBondContact O-N 3.22Å; E77-C81 PolarHBondContact O-N 3.46Å; E77-C81 PolarHBondContact O-SG 3.39Å |
| 78 | D | 98.4 | Very high | 98.5 | Very high | 96 Ų | 96 | 89.2 Ų | 89.2 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 177.8 | -70.6 | -21.2 | 0 | 0 | 0 | 110.8 | H74 F80 C81 E82 | H74-D78 PolarHBondContact O-N 2.97Å; D78-F80 VanDerWaalsContact C-N 3.29Å; D78-F80 PolarHBondContact O-N 3.29Å; D78-C81 WeakPolarHBondContact O-CB 3.25Å; D78-C81 PolarHBondContact O-N 3.21Å; D78-C81 VanDerWaalsContact O-N 3.14Å; D78-E82 PolarHBondContact O-N 2.93Å |
| 79 | S | 98.4 | Very high | 98.5 | Very high | 58 Ų | 58 | 90.2 Ų | 90.2 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | Y75 L76 E82 M83 | Y75-S79 WeakPolarHBondContact O-CB 3.14Å; Y75-S79 PolarHBondContact O-N 3.31Å; Y75-S79 PolarHBondContact O-OG 3.21Å; L76-S79 PolarHBondContact O-N 3.08Å; S79-E82 PolarHBondContact O-N 2.87Å; S79-M83 WeakPolarHBondContact O-CB 3.38Å; S79-M83 WeakPolarHBondContact O-CG 3.25Å; S79-M83 PolarHBondContact O-N 2.98Å |
| 80 | F | 98.4 | Very high | 98.5 | Very high | 132 Ų | 132 | 93.8 Ų | 93.8 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 175.7 | 177.5 | -97 | 0 | 0 | 0 | 111.5 | L76 E77 D78 E82 M83 N84 | L76-F80 VanDerWaalsContact O-CB 3.25Å; L76-F80 WeakPolarHBondContact O-CB 3.45Å; L76-F80 PolarHBondContact O-N 3.41Å; E77-F80 PolarHBondContact O-N 3.22Å; D78-F80 VanDerWaalsContact C-N 3.29Å; D78-F80 PolarHBondContact O-N 3.29Å; F80-E82 PolarHBondContact O-N 3.4Å; F80-M83 PolarHBondContact O-N 3.49Å; F80-N84 VanDerWaalsContact O-CB 3.25Å; F80-N84 WeakPolarHBondContact O-CB 3.34Å; F80-N84 PolarHBondContact O-N 3.44Å |
| 81 | C | 98.3 | Very high | 98.4 | Very high | 85 Ų | 85 | 95.5 Ų | 95.5 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 176 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | E77 D78 N84 G85 | E77-C81 PolarHBondContact O-N 3.46Å; E77-C81 PolarHBondContact O-SG 3.39Å; D78-C81 WeakPolarHBondContact O-CB 3.25Å; D78-C81 PolarHBondContact O-N 3.21Å; D78-C81 VanDerWaalsContact O-N 3.14Å; C81-N84 PolarHBondContact O-N 2.87Å; C81-G85 PolarHBondContact O-N 3.29Å |
| 82 | E | 98.3 | Very high | 98.4 | Very high | 144 Ų | 144 | 95.8 Ų | 95.8 | 67% | 0.673 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -48.7 | 176.6 | -71.4 | -177.5 | 177.2 | 0 | 0 | 112 | D78 S79 F80 N84 G85 A86 | D78-E82 PolarHBondContact O-N 2.93Å; S79-E82 PolarHBondContact O-N 2.87Å; F80-E82 PolarHBondContact O-N 3.4Å; E82-N84 VanDerWaalsContact C-N 3.31Å; E82-N84 PolarHBondContact O-N 2.91Å; E82-G85 PolarHBondContact O-N 3.44Å; E82-A86 PolarHBondContact O-N 3.4Å |
| 83 | M | 98.3 | Very high | 98.4 | Very high | 123 Ų | 123 | 99.5 Ų | 99.5 | 61% | 0.606 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 177.2 | -74.4 | -171.6 | -64.8 | 0 | 0 | 111.8 | S79 F80 G85 A86 L87 | S79-M83 WeakPolarHBondContact O-CB 3.38Å; S79-M83 WeakPolarHBondContact O-CG 3.25Å; S79-M83 PolarHBondContact O-N 2.98Å; F80-M83 PolarHBondContact O-N 3.49Å; M83-G85 VanDerWaalsContact C-N 3.34Å; M83-A86 PolarHBondContact O-N 3.11Å; M83-L87 WeakPolarHBondContact O-CB 3.48Å; M83-L87 PolarHBondContact O-N 2.97Å |
| 84 | N | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 178.2 | -167.8 | 61.7 | 0 | 0 | 0 | 111.4 | F80 C81 E82 L87 V88 | F80-N84 VanDerWaalsContact O-CB 3.25Å; F80-N84 WeakPolarHBondContact O-CB 3.34Å; F80-N84 PolarHBondContact O-N 3.44Å; C81-N84 PolarHBondContact O-N 2.87Å; E82-N84 VanDerWaalsContact C-N 3.31Å; E82-N84 PolarHBondContact O-N 2.91Å; N84-L87 PolarHBondContact O-N 3.17Å; N84-V88 WeakPolarHBondContact O-CG2 3.35Å; N84-V88 PolarHBondContact O-N 2.78Å; N84-V88 VanDerWaalsContact O-N 3.08Å |
| 85 | G | 98.1 | Very high | 98.4 | Very high | 35 Ų | 35 | 95.3 Ų | 95.3 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C81 E82 M83 V88 Q89 | C81-G85 PolarHBondContact O-N 3.29Å; E82-G85 PolarHBondContact O-N 3.44Å; M83-G85 VanDerWaalsContact C-N 3.34Å; G85-V88 PolarHBondContact O-N 3.05Å; G85-Q89 WeakPolarHBondContact O-CG 3.46Å; G85-Q89 PolarHBondContact O-N 3.04Å |
| 86 | A | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 96.4 Ų | 96.4 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E82 M83 Q89 Q90 | E82-A86 PolarHBondContact O-N 3.4Å; M83-A86 PolarHBondContact O-N 3.11Å; A86-Q89 PolarHBondContact O-N 3.26Å; A86-Q90 PolarHBondContact O-N 3.5Å |
| 87 | L | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 94.1 Ų | 94.1 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 177.2 | -179.6 | 62.7 | 0 | 0 | 0 | 111.5 | M83 N84 Q89 Q90 E91 | M83-L87 WeakPolarHBondContact O-CB 3.48Å; M83-L87 PolarHBondContact O-N 2.97Å; N84-L87 PolarHBondContact O-N 3.17Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 2.93Å; L87-Q90 WeakPolarHBondContact O-CB 3.43Å; L87-Q90 PolarHBondContact O-N 2.82Å; L87-Q90 VanDerWaalsContact O-N 3.11Å; L87-E91 WeakPolarHBondContact O-CG 3.44Å; L87-E91 PolarHBondContact O-N 3.39Å |
| 88 | V | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 97.3 Ų | 97.3 | 38% | 0.382 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | N84 G85 Q90 E91 E92 | N84-V88 WeakPolarHBondContact O-CG2 3.35Å; N84-V88 PolarHBondContact O-N 2.78Å; N84-V88 VanDerWaalsContact O-N 3.08Å; G85-V88 PolarHBondContact O-N 3.05Å; V88-Q90 VanDerWaalsContact C-N 3.31Å; V88-Q90 PolarHBondContact O-N 3.07Å; V88-E91 PolarHBondContact O-N 3.33Å; V88-E92 PolarHBondContact O-N 3.48Å |
| 89 | Q | 98.4 | Very high | 98.4 | Very high | 126 Ų | 126 | 97 Ų | 97 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 176.3 | -69.7 | 179.9 | 4.1 | 0 | 0 | 112.2 | G85 A86 L87 E92 Q93 | G85-Q89 WeakPolarHBondContact O-CG 3.46Å; G85-Q89 PolarHBondContact O-N 3.04Å; A86-Q89 PolarHBondContact O-N 3.26Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 2.93Å; Q89-E92 PolarHBondContact O-N 2.88Å; Q89-Q93 WeakPolarHBondContact O-CG 3.42Å; Q89-Q93 PolarHBondContact O-N 2.89Å |
| 90 | Q | 98.3 | Very high | 98.4 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 177.1 | -171.6 | -176.6 | 5.2 | 0 | 0 | 111.7 | A86 L87 V88 Q93 A94 | A86-Q90 PolarHBondContact O-N 3.5Å; L87-Q90 WeakPolarHBondContact O-CB 3.43Å; L87-Q90 PolarHBondContact O-N 2.82Å; L87-Q90 VanDerWaalsContact O-N 3.11Å; V88-Q90 VanDerWaalsContact C-N 3.31Å; V88-Q90 PolarHBondContact O-N 3.07Å; Q90-Q93 PolarHBondContact O-N 3.45Å; Q90-A94 WeakPolarHBondContact O-CB 3.31Å; Q90-A94 PolarHBondContact O-N 3.32Å |
| 91 | E | 98.4 | Very high | 98.4 | Very high | 120 Ų | 120 | 100 Ų | 100 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 176.8 | -72.4 | -177.2 | 160.6 | 0 | 0 | 111.9 | L87 V88 Q93 A94 A95 | L87-E91 WeakPolarHBondContact O-CG 3.44Å; L87-E91 PolarHBondContact O-N 3.39Å; V88-E91 PolarHBondContact O-N 3.33Å; E91-Q93 PolarHBondContact O-N 2.95Å; E91-A94 PolarHBondContact O-N 3.34Å; E91-A95 WeakPolarHBondContact O-CB 3.36Å; E91-A95 PolarHBondContact O-N 3.49Å |
| 92 | E | 98.4 | Very high | 98.4 | Very high | 104 Ų | 104 | 103.1 Ų | 103.1 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.3 | -72.7 | -173.6 | -171.3 | 0 | 0 | 112 | V88 Q89 A95 R96 | V88-E92 PolarHBondContact O-N 3.48Å; Q89-E92 PolarHBondContact O-N 2.88Å; E92-A95 PolarHBondContact O-N 3.25Å; E92-R96 VanDerWaalsContact O-CG 3.31Å; E92-R96 WeakPolarHBondContact O-CG 3.36Å; E92-R96 PolarHBondContact O-N 3.42Å; E92-R96 IonicContact OE2-NH2 3.94Å |
| 93 | Q | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 100.1 Ų | 100.1 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 176.8 | -72.9 | -178.3 | 3.3 | 0 | 0 | 111.5 | Q89 Q90 E91 A95 R96 V97 | Q89-Q93 WeakPolarHBondContact O-CG 3.42Å; Q89-Q93 PolarHBondContact O-N 2.89Å; Q90-Q93 PolarHBondContact O-N 3.45Å; E91-Q93 PolarHBondContact O-N 2.95Å; Q93-A95 VanDerWaalsContact C-N 3.32Å; Q93-A95 PolarHBondContact O-N 2.99Å; Q93-R96 PolarHBondContact O-N 2.93Å; Q93-V97 WeakPolarHBondContact O-CG2 3.44Å; Q93-V97 PolarHBondContact O-N 3.32Å |
| 94 | A | 98.4 | Very high | 98.4 | Very high | 34 Ų | 34 | 98.9 Ų | 98.9 | 28% | 0.281 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q90 E91 V97 R98 | Q90-A94 WeakPolarHBondContact O-CB 3.31Å; Q90-A94 PolarHBondContact O-N 3.32Å; E91-A94 PolarHBondContact O-N 3.34Å; A94-V97 PolarHBondContact O-N 3.13Å; A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 VanDerWaalsContact O-CG 3.28Å; A94-R98 WeakPolarHBondContact O-CG 3.46Å; A94-R98 PolarHBondContact O-N 3.22Å |
| 95 | A | 98.4 | Very high | 98.4 | Very high | 54 Ų | 54 | 100.3 Ų | 100.3 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E91 E92 Q93 V97 R98 Q99 | E91-A95 WeakPolarHBondContact O-CB 3.36Å; E91-A95 PolarHBondContact O-N 3.49Å; E92-A95 PolarHBondContact O-N 3.25Å; Q93-A95 VanDerWaalsContact C-N 3.32Å; Q93-A95 PolarHBondContact O-N 2.99Å; A95-V97 PolarHBondContact O-N 2.86Å; A95-R98 PolarHBondContact O-N 2.94Å; A95-Q99 PolarHBondContact O-N 3.31Å |
| 96 | R | 98.4 | Very high | 98.4 | Very high | 162 Ų | 162 | 103.3 Ų | 103.3 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 176.2 | -68.4 | 172.1 | -165.2 | -126.2 | 7.8 | 112.3 | E92 Q93 Q99 R100 | E92-R96 VanDerWaalsContact O-CG 3.31Å; E92-R96 WeakPolarHBondContact O-CG 3.36Å; E92-R96 PolarHBondContact O-N 3.42Å; E92-R96 IonicContact OE2-NH2 3.94Å; Q93-R96 PolarHBondContact O-N 2.93Å; R96-Q99 PolarHBondContact O-N 3.41Å; R96-R100 WeakPolarHBondContact O-CG 3.49Å; R96-R100 PolarHBondContact O-N 3.09Å; R96-R100 VanDerWaalsContact O-N 3.09Å |
| 97 | V | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 107.7 Ų | 107.7 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Q93 A94 A95 Q99 R100 L101 | Q93-V97 WeakPolarHBondContact O-CG2 3.44Å; Q93-V97 PolarHBondContact O-N 3.32Å; A94-V97 PolarHBondContact O-N 3.13Å; A95-V97 PolarHBondContact O-N 2.86Å; V97-Q99 VanDerWaalsContact C-N 3.28Å; V97-Q99 PolarHBondContact O-N 3.16Å; V97-R100 PolarHBondContact O-N 2.93Å; V97-L101 PolarHBondContact O-N 3.37Å |
| 98 | R | 98.5 | Very high | 98.3 | Very high | 163 Ų | 163 | 105.6 Ų | 105.6 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.7 | -41 | 177 | -73.9 | 173.5 | -174.4 | 149.3 | 1.6 | 111.8 | A94 A95 L101 R102 | A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 VanDerWaalsContact O-CG 3.28Å; A94-R98 WeakPolarHBondContact O-CG 3.46Å; A94-R98 PolarHBondContact O-N 3.22Å; A95-R98 PolarHBondContact O-N 2.94Å; R98-L101 PolarHBondContact O-N 3.36Å; R98-R102 WeakPolarHBondContact O-CG 3.43Å; R98-R102 PolarHBondContact O-N 3.37Å; R98-R102 VanDerWaalsContact O-N 3.16Å |
| 99 | Q | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 106.6 Ų | 106.6 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.3 | -179.7 | 56.8 | 26.9 | 0 | 0 | 111.9 | A95 R96 V97 L101 R102 E103 | A95-Q99 PolarHBondContact O-N 3.31Å; R96-Q99 PolarHBondContact O-N 3.41Å; V97-Q99 VanDerWaalsContact C-N 3.28Å; V97-Q99 PolarHBondContact O-N 3.16Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.4Å; Q99-R102 WeakPolarHBondContact O-CB 3.28Å; Q99-R102 PolarHBondContact O-N 2.97Å; Q99-E103 PolarHBondContact NE2-OE1 3.44Å; Q99-E103 PolarHBondContact O-N 3.26Å; Q99-E103 VanDerWaalsContact O-N 3.13Å |
| 100 | R | 98.4 | Very high | 98.3 | Very high | 153 Ų | 153 | 104.8 Ų | 104.8 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -37.3 | 176.9 | -71.1 | -172.5 | -61.4 | -145.8 | 1 | 112.9 | R96 V97 R102 E103 E104 | R96-R100 WeakPolarHBondContact O-CG 3.49Å; R96-R100 PolarHBondContact O-N 3.09Å; R96-R100 VanDerWaalsContact O-N 3.09Å; V97-R100 PolarHBondContact O-N 2.93Å; R100-R102 VanDerWaalsContact C-N 3.34Å; R100-E103 PolarHBondContact O-N 3.48Å; R100-E104 PolarHBondContact O-N 3.32Å |
| 101 | L | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.5 | -173.7 | 66.4 | 0 | 0 | 0 | 111 | V97 R98 Q99 E103 E104 E105 | V97-L101 PolarHBondContact O-N 3.37Å; R98-L101 PolarHBondContact O-N 3.36Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.4Å; L101-E103 VanDerWaalsContact C-N 3.33Å; L101-E103 PolarHBondContact O-N 2.87Å; L101-E104 PolarHBondContact O-N 3.28Å; L101-E105 WeakPolarHBondContact O-CG 3.47Å; L101-E105 PolarHBondContact O-N 3.46Å |
| 102 | R | 98.3 | Very high | 98.3 | Very high | 149 Ų | 149 | 106.1 Ų | 106.1 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 175.8 | -69.2 | 173.7 | -177.8 | 178 | -0.9 | 112.1 | R98 Q99 R100 E104 E105 D106 | R98-R102 WeakPolarHBondContact O-CG 3.43Å; R98-R102 PolarHBondContact O-N 3.37Å; R98-R102 VanDerWaalsContact O-N 3.16Å; Q99-R102 WeakPolarHBondContact O-CB 3.28Å; Q99-R102 PolarHBondContact O-N 2.97Å; R100-R102 VanDerWaalsContact C-N 3.34Å; R102-E104 VanDerWaalsContact C-N 3.34Å; R102-E104 PolarHBondContact O-N 2.69Å; R102-E105 WeakPolarHBondContact O-CB 3.25Å; R102-E105 PolarHBondContact O-N 3.06Å; R102-D106 PolarHBondContact O-N 3.25Å |
| 103 | E | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 107.4 Ų | 107.4 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.7 | -70.1 | 168.4 | -164.8 | 0 | 0 | 112.4 | Q99 R100 L101 D106 R107 | Q99-E103 PolarHBondContact NE2-OE1 3.44Å; Q99-E103 PolarHBondContact O-N 3.26Å; Q99-E103 VanDerWaalsContact O-N 3.13Å; R100-E103 PolarHBondContact O-N 3.48Å; L101-E103 VanDerWaalsContact C-N 3.33Å; L101-E103 PolarHBondContact O-N 2.87Å; E103-D106 PolarHBondContact O-N 3.02Å; E103-R107 WeakPolarHBondContact O-CB 3.49Å; E103-R107 VanDerWaalsContact O-CG 3.25Å; E103-R107 WeakPolarHBondContact O-CG 3.36Å; E103-R107 PolarHBondContact O-N 3.33Å |
| 104 | E | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 104.7 Ų | 104.7 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.6 | -37.6 | 174.2 | -77 | -59.4 | 128 | 0 | 0 | 112.5 | R100 L101 R102 R107 G108 | R100-E104 PolarHBondContact O-N 3.32Å; L101-E104 PolarHBondContact O-N 3.28Å; R102-E104 VanDerWaalsContact C-N 3.34Å; R102-E104 PolarHBondContact O-N 2.69Å; E104-R107 PolarHBondContact O-N 3.46Å; E104-R107 WeakPolarHBondContact OE1-CD 3.38Å; E104-R107 IonicContact OE1-CZ 3.85Å; E104-R107 IonicContact OE1-NE 2.69Å; E104-R107 IonicContact OE1-NH1 3.57Å; E104-R107 PolarHBondContact OE1-NH1 3.02Å; E104-G108 PolarHBondContact O-N 3.43Å |
| 105 | E | 98.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 106.7 Ų | 106.7 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 171.3 | -73.9 | 172.4 | 172.6 | 0 | 0 | 110.8 | L101 R102 R107 G108 I109 | L101-E105 WeakPolarHBondContact O-CG 3.47Å; L101-E105 PolarHBondContact O-N 3.46Å; R102-E105 WeakPolarHBondContact O-CB 3.25Å; R102-E105 PolarHBondContact O-N 3.06Å; E105-R107 PolarHBondContact O-N 2.97Å; E105-G108 CarbonylContact O-C 3.53Å; E105-G108 WeakPolarHBondContact O-CA 3.34Å; E105-G108 PolarHBondContact O-N 3.39Å; E105-G108 VanDerWaalsContact O-N 3.1Å; E105-I109 VanDerWaalsContact O-CG1 3.29Å; E105-I109 WeakPolarHBondContact O-CG1 3.41Å; E105-I109 PolarHBondContact O-N 2.91Å |
| 106 | D | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 108 Ų | 108 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 177.3 | -76.6 | -26 | 0 | 0 | 0 | 111.9 | R102 E103 G108 I109 V110 | R102-D106 PolarHBondContact O-N 3.25Å; E103-D106 PolarHBondContact O-N 3.02Å; D106-G108 VanDerWaalsContact C-N 3.31Å; D106-G108 PolarHBondContact O-N 2.89Å; D106-I109 PolarHBondContact O-N 3.25Å; D106-V110 WeakPolarHBondContact O-CG2 3.42Å; D106-V110 PolarHBondContact O-N 3.1Å |
| 107 | R | 97.9 | Very high | 98.1 | Very high | 148 Ų | 148 | 107.1 Ų | 107.1 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 172.9 | -74.3 | 170 | -179.5 | -177.3 | 1.9 | 111.5 | E103 E104 E105 V110 R111 | E103-R107 WeakPolarHBondContact O-CB 3.49Å; E103-R107 VanDerWaalsContact O-CG 3.25Å; E103-R107 WeakPolarHBondContact O-CG 3.36Å; E103-R107 PolarHBondContact O-N 3.33Å; E104-R107 PolarHBondContact O-N 3.46Å; E104-R107 WeakPolarHBondContact OE1-CD 3.38Å; E104-R107 IonicContact OE1-CZ 3.85Å; E104-R107 IonicContact OE1-NE 2.69Å; E104-R107 IonicContact OE1-NH1 3.57Å; E104-R107 PolarHBondContact OE1-NH1 3.02Å; E105-R107 PolarHBondContact O-N 2.97Å; R107-V110 PolarHBondContact O-N 3.45Å; R107-R111 WeakPolarHBondContact O-CB 3.37Å; R107-R111 PolarHBondContact O-N 3.39Å |
| 108 | G | 97.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 108 Ų | 108 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E104 E105 D106 R111 N112 | E104-G108 PolarHBondContact O-N 3.43Å; E105-G108 CarbonylContact O-C 3.53Å; E105-G108 WeakPolarHBondContact O-CA 3.34Å; E105-G108 PolarHBondContact O-N 3.39Å; E105-G108 VanDerWaalsContact O-N 3.1Å; D106-G108 VanDerWaalsContact C-N 3.31Å; D106-G108 PolarHBondContact O-N 2.89Å; G108-R111 PolarHBondContact O-N 3.29Å; G108-N112 VanDerWaalsContact O-CB 3.26Å; G108-N112 WeakPolarHBondContact O-CB 3.49Å; G108-N112 PolarHBondContact O-N 3.39Å |
| 109 | I | 98.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 105 Ų | 105 | 43% | 0.426 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 176.7 | -69.7 | 164.7 | 0 | 0 | 0 | 110.6 | E105 D106 R111 N112 K113 | E105-I109 VanDerWaalsContact O-CG1 3.29Å; E105-I109 WeakPolarHBondContact O-CG1 3.41Å; E105-I109 PolarHBondContact O-N 2.91Å; D106-I109 PolarHBondContact O-N 3.25Å; I109-R111 PolarHBondContact O-N 2.8Å; I109-N112 PolarHBondContact O-N 3.45Å; I109-K113 HydrophobicContact CG2-CD 4.17Å; I109-K113 HydrophobicContact CG2-CG 4.5Å; I109-K113 WeakPolarHBondContact O-CB 3.35Å; I109-K113 WeakPolarHBondContact O-CG 3.34Å; I109-K113 PolarHBondContact O-N 2.86Å |
| 110 | V | 98.3 | Very high | 98.1 | Very high | 89 Ų | 89 | 103.9 Ų | 103.9 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 178 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | D106 R107 N112 K113 V114 | D106-V110 WeakPolarHBondContact O-CG2 3.42Å; D106-V110 PolarHBondContact O-N 3.1Å; R107-V110 PolarHBondContact O-N 3.45Å; V110-N112 PolarHBondContact O-N 2.93Å; V110-K113 PolarHBondContact O-N 3.42Å; V110-V114 WeakPolarHBondContact O-CG2 3.29Å; V110-V114 PolarHBondContact O-N 2.85Å |
| 111 | R | 98 | Very high | 98 | Very high | 171 Ų | 171 | 104.7 Ų | 104.7 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.8 | -47.1 | 176 | -174.5 | -172.2 | -61.8 | 172.3 | 3.1 | 111.5 | R107 G108 I109 V114 L115 | R107-R111 WeakPolarHBondContact O-CB 3.37Å; R107-R111 PolarHBondContact O-N 3.39Å; G108-R111 PolarHBondContact O-N 3.29Å; I109-R111 PolarHBondContact O-N 2.8Å; R111-V114 PolarHBondContact O-N 3.26Å; R111-L115 HydrophobicContact CG-CD1 3.94Å; R111-L115 HydrophobicContact CG-CG 4.38Å; R111-L115 WeakPolarHBondContact O-CB 3.06Å; R111-L115 WeakPolarHBondContact O-CG 3.45Å; R111-L115 PolarHBondContact O-N 2.81Å |
| 112 | N | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 179.4 | -173 | -19.7 | 0 | 0 | 0 | 111.1 | G108 I109 V110 V114 L115 T116 | G108-N112 VanDerWaalsContact O-CB 3.26Å; G108-N112 WeakPolarHBondContact O-CB 3.49Å; G108-N112 PolarHBondContact O-N 3.39Å; I109-N112 PolarHBondContact O-N 3.45Å; V110-N112 PolarHBondContact O-N 2.93Å; N112-V114 VanDerWaalsContact C-N 3.34Å; N112-V114 PolarHBondContact O-N 2.89Å; N112-L115 PolarHBondContact O-N 2.85Å; N112-T116 WeakPolarHBondContact O-CB 3.15Å; N112-T116 PolarHBondContact O-N 3.36Å; N112-T116 PolarHBondContact O-OG1 3.23Å; N112-T116 PolarHBondContact OD1-OG1 3.11Å; N112-T116 VanDerWaalsContact OD1-OG1 3.13Å |
| 113 | K | 98.1 | Very high | 98 | Very high | 131 Ų | 131 | 102.9 Ų | 102.9 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.3 | -49.9 | 174.6 | -77.1 | 176.9 | 178 | 179.1 | 0 | 111.1 | I109 V110 T116 F117 | I109-K113 HydrophobicContact CG2-CD 4.17Å; I109-K113 HydrophobicContact CG2-CG 4.5Å; I109-K113 WeakPolarHBondContact O-CB 3.35Å; I109-K113 WeakPolarHBondContact O-CG 3.34Å; I109-K113 PolarHBondContact O-N 2.86Å; V110-K113 PolarHBondContact O-N 3.42Å; K113-T116 WeakPolarHBondContact O-CB 3.47Å; K113-T116 PolarHBondContact O-N 3.31Å; K113-F117 WeakPolarHBondContact O-CD2 3.48Å; K113-F117 PolarHBondContact O-N 3.5Å |
| 114 | V | 98.3 | Very high | 98 | Very high | 74 Ų | 74 | 104.8 Ų | 104.8 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | V110 R111 N112 T116 F117 L118 | V110-V114 WeakPolarHBondContact O-CG2 3.29Å; V110-V114 PolarHBondContact O-N 2.85Å; R111-V114 PolarHBondContact O-N 3.26Å; N112-V114 VanDerWaalsContact C-N 3.34Å; N112-V114 PolarHBondContact O-N 2.89Å; V114-T116 VanDerWaalsContact C-N 3.31Å; V114-T116 PolarHBondContact O-N 2.99Å; V114-F117 PolarHBondContact O-N 3.13Å; V114-F117 VanDerWaalsContact O-N 3.11Å; V114-L118 HydrophobicContact CG1-CD1 3.57Å; V114-L118 HydrophobicContact CG1-CG 4.14Å; V114-L118 WeakPolarHBondContact O-CG 3.29Å; V114-L118 PolarHBondContact O-N 3.39Å |
| 115 | L | 98.1 | Very high | 98 | Very high | 75 Ų | 75 | 105.5 Ų | 105.5 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 179.6 | -73.1 | 175.3 | 0 | 0 | 0 | 112.5 | R111 N112 F117 L118 L119 | R111-L115 HydrophobicContact CG-CD1 3.94Å; R111-L115 HydrophobicContact CG-CG 4.38Å; R111-L115 WeakPolarHBondContact O-CB 3.06Å; R111-L115 WeakPolarHBondContact O-CG 3.45Å; R111-L115 PolarHBondContact O-N 2.81Å; N112-L115 PolarHBondContact O-N 2.85Å; L115-F117 PolarHBondContact O-N 2.84Å; L115-L118 PolarHBondContact O-N 2.94Å; L115-L119 HydrophobicContact CB-CD1 4.01Å; L115-L119 HydrophobicContact CB-CG 4.31Å; L115-L119 HydrophobicContact CD2-CD1 4.45Å; L115-L119 HydrophobicContact CD2-CD2 4.49Å; L115-L119 HydrophobicContact CD2-CG 4.28Å; L115-L119 VanDerWaalsContact O-CB 3.29Å; L115-L119 WeakPolarHBondContact O-CB 3.28Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 3.25Å |
| 116 | T | 97.8 | Very high | 98 | Very high | 83 Ų | 83 | 108.7 Ų | 108.7 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.6 | -33.3 | 175.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | N112 K113 V114 P120 | N112-T116 WeakPolarHBondContact O-CB 3.15Å; N112-T116 PolarHBondContact O-N 3.36Å; N112-T116 PolarHBondContact O-OG1 3.23Å; N112-T116 PolarHBondContact OD1-OG1 3.11Å; N112-T116 VanDerWaalsContact OD1-OG1 3.13Å; K113-T116 WeakPolarHBondContact O-CB 3.47Å; K113-T116 PolarHBondContact O-N 3.31Å; V114-T116 VanDerWaalsContact C-N 3.31Å; V114-T116 PolarHBondContact O-N 2.99Å; T116-P120 WeakPolarHBondContact O-CD 3.36Å; T116-P120 VanDerWaalsContact O-CG 3.32Å; T116-P120 WeakPolarHBondContact O-CG 3.32Å |
| 117 | F | 96.9 | Very high | 98 | Very high | 143 Ų | 143 | 107.9 Ų | 107.9 | 63% | 0.627 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -84.3 | -39.3 | 175.3 | -70.6 | -71.6 | 0 | 0 | 0 | 113.9 | K113 V114 L115 | K113-F117 WeakPolarHBondContact O-CD2 3.48Å; K113-F117 PolarHBondContact O-N 3.5Å; V114-F117 PolarHBondContact O-N 3.13Å; V114-F117 VanDerWaalsContact O-N 3.11Å; L115-F117 PolarHBondContact O-N 2.84Å |
| 118 | L | 98.1 | Very high | 98 | Very high | 95 Ų | 95 | 105.8 Ų | 105.8 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -80.7 | -40.3 | -172.9 | -66.8 | -178.3 | 0 | 0 | 0 | 113.1 | V114 L115 R121 E122 | V114-L118 HydrophobicContact CG1-CD1 3.57Å; V114-L118 HydrophobicContact CG1-CG 4.14Å; V114-L118 WeakPolarHBondContact O-CG 3.29Å; V114-L118 PolarHBondContact O-N 3.39Å; L115-L118 PolarHBondContact O-N 2.94Å; L118-R121 PolarHBondContact O-N 3.18Å; L118-E122 PolarHBondContact O-N 2.89Å |
| 119 | L | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 107.4 Ų | 107.4 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | -175.2 | -69.4 | 173.2 | 0 | 0 | 0 | 113.2 | L115 R121 E122 K123 | L115-L119 HydrophobicContact CB-CD1 4.01Å; L115-L119 HydrophobicContact CB-CG 4.31Å; L115-L119 HydrophobicContact CD2-CD1 4.45Å; L115-L119 HydrophobicContact CD2-CD2 4.49Å; L115-L119 HydrophobicContact CD2-CG 4.28Å; L115-L119 VanDerWaalsContact O-CB 3.29Å; L115-L119 WeakPolarHBondContact O-CB 3.28Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 3.25Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 3.37Å; L119-E122 PolarHBondContact O-N 3.01Å; L119-K123 WeakPolarHBondContact O-CB 3.42Å; L119-K123 PolarHBondContact O-N 3.45Å |
| 120 | P | 98.2 | Very high | 97.9 | Very high | 66 Ų | 66 | 109.6 Ų | 109.6 | 43% | 0.429 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 176.7 | -24.1 | 35.7 | 0 | 0 | 0 | 112.8 | T116 K123 Q124 | T116-P120 WeakPolarHBondContact O-CD 3.36Å; T116-P120 VanDerWaalsContact O-CG 3.32Å; T116-P120 WeakPolarHBondContact O-CG 3.32Å; P120-K123 PolarHBondContact O-N 3.36Å; P120-Q124 WeakPolarHBondContact O-CG 3.32Å; P120-Q124 PolarHBondContact O-N 2.93Å |
| 121 | R | 97.3 | Very high | 97.9 | Very high | 170 Ų | 170 | 111.4 Ų | 111.4 | 64% | 0.642 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.8 | -42.5 | -180 | -68.5 | -180 | 176.2 | -176.5 | 0.1 | 112 | L118 L119 K123 Q124 L125 | L118-R121 PolarHBondContact O-N 3.18Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 3.37Å; R121-K123 VanDerWaalsContact C-N 3.32Å; R121-Q124 PolarHBondContact O-N 2.97Å; R121-L125 WeakPolarHBondContact O-CB 3.41Å; R121-L125 PolarHBondContact O-N 3.48Å |
| 122 | E | 98.1 | Very high | 97.8 | Very high | 84 Ų | 84 | 108.1 Ų | 108.1 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 174 | -174.9 | -81.3 | 159.4 | 0 | 0 | 110.6 | L118 L119 Q124 L125 R126 | L118-E122 PolarHBondContact O-N 2.89Å; L119-E122 PolarHBondContact O-N 3.01Å; E122-Q124 PolarHBondContact O-N 2.73Å; E122-L125 PolarHBondContact O-N 2.89Å; E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 PolarHBondContact O-N 3.24Å; E122-R126 IonicContact OE1-CZ 3.82Å; E122-R126 VanDerWaalsContact OE1-CZ 3.25Å; E122-R126 IonicContact OE1-NE 2.73Å; E122-R126 PolarHBondContact OE1-NE 3.16Å; E122-R126 IonicContact OE1-NH2 3.25Å; E122-R126 PolarHBondContact OE1-NH2 2.94Å |
| 123 | K | 98.1 | Very high | 97.7 | Very high | 129 Ų | 129 | 109 Ų | 109 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.5 | -48.8 | 176.1 | -177.8 | 179.6 | 175 | -177.3 | 0 | 111.8 | L119 P120 R121 L125 R126 E127 | L119-K123 WeakPolarHBondContact O-CB 3.42Å; L119-K123 PolarHBondContact O-N 3.45Å; P120-K123 PolarHBondContact O-N 3.36Å; R121-K123 VanDerWaalsContact C-N 3.32Å; K123-L125 VanDerWaalsContact C-N 3.33Å; K123-L125 PolarHBondContact O-N 3.12Å; K123-R126 PolarHBondContact O-N 3.49Å; K123-E127 WeakPolarHBondContact CE-OE1 3.41Å; K123-E127 WeakPolarHBondContact O-CG 3.39Å; K123-E127 PolarHBondContact O-N 3.3Å |
| 124 | Q | 97.9 | Very high | 97.6 | Very high | 120 Ų | 120 | 106.2 Ų | 106.2 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -42.2 | 177.4 | -77.3 | 177.6 | -21.8 | 0 | 0 | 112.4 | P120 R121 E122 E127 H128 | P120-Q124 WeakPolarHBondContact O-CG 3.32Å; P120-Q124 PolarHBondContact O-N 2.93Å; R121-Q124 PolarHBondContact O-N 2.97Å; E122-Q124 PolarHBondContact O-N 2.73Å; Q124-E127 PolarHBondContact O-N 2.89Å; Q124-H128 PolarHBondContact O-N 3.43Å |
| 125 | L | 98.2 | Very high | 97.5 | Very high | 113 Ų | 113 | 108.1 Ų | 108.1 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 177.9 | -177.9 | 63.2 | 0 | 0 | 0 | 110.9 | R121 E122 K123 E127 H128 C129 | R121-L125 WeakPolarHBondContact O-CB 3.41Å; R121-L125 PolarHBondContact O-N 3.48Å; E122-L125 PolarHBondContact O-N 2.89Å; K123-L125 VanDerWaalsContact C-N 3.33Å; K123-L125 PolarHBondContact O-N 3.12Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.46Å; L125-H128 PolarHBondContact O-N 3.4Å; L125-H128 VanDerWaalsContact O-N 3.16Å; L125-C129 PolarHBondContact O-N 3.17Å; L125-C129 PolarHBondContact O-SG 2.9Å; L125-C129 VanDerWaalsContact O-SG 3.33Å |
| 126 | R | 98.2 | Very high | 97.2 | Very high | 174 Ų | 174 | 110 Ų | 110 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.2 | -43.2 | 176.9 | -171.8 | -176.3 | -70 | -123 | 1.2 | 111.7 | E122 K123 C129 K130 | E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 PolarHBondContact O-N 3.24Å; E122-R126 IonicContact OE1-CZ 3.82Å; E122-R126 VanDerWaalsContact OE1-CZ 3.25Å; E122-R126 IonicContact OE1-NE 2.73Å; E122-R126 PolarHBondContact OE1-NE 3.16Å; E122-R126 IonicContact OE1-NH2 3.25Å; E122-R126 PolarHBondContact OE1-NH2 2.94Å; K123-R126 PolarHBondContact O-N 3.49Å; R126-C129 PolarHBondContact O-N 3.3Å; R126-K130 WeakPolarHBondContact O-CB 3.1Å; R126-K130 PolarHBondContact O-N 3.01Å |
| 127 | E | 98.2 | Very high | 97 | Very high | 81 Ų | 81 | 110.3 Ų | 110.3 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174.9 | -73 | 173.4 | -169.6 | 0 | 0 | 112.4 | K123 Q124 L125 K130 R131 | K123-E127 WeakPolarHBondContact CE-OE1 3.41Å; K123-E127 WeakPolarHBondContact O-CG 3.39Å; K123-E127 PolarHBondContact O-N 3.3Å; Q124-E127 PolarHBondContact O-N 2.89Å; L125-E127 VanDerWaalsContact C-N 3.32Å; L125-E127 PolarHBondContact O-N 3.46Å; E127-K130 PolarHBondContact O-N 3.33Å; E127-R131 WeakPolarHBondContact O-CG 3.3Å; E127-R131 PolarHBondContact O-N 3.42Å |
| 128 | H | 97.9 | Very high | 96.6 | Very high | 104 Ų | 104 | 107.1 Ų | 107.1 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.3 | -109 | -74 | 0 | 0 | 0 | 112.6 | Q124 L125 K130 R131 L132 | Q124-H128 PolarHBondContact O-N 3.43Å; L125-H128 PolarHBondContact O-N 3.4Å; L125-H128 VanDerWaalsContact O-N 3.16Å; H128-K130 VanDerWaalsContact C-N 3.3Å; H128-K130 PolarHBondContact O-N 2.96Å; H128-R131 PolarHBondContact CD2-NH2 3.02Å; H128-R131 PolarHBondContact NE2-NH2 2.9Å; H128-R131 VanDerWaalsContact NE2-NH2 3.17Å; H128-R131 PolarHBondContact O-N 2.88Å; H128-L132 PolarHBondContact O-N 3.27Å |
| 129 | C | 97.5 | Very high | 96 | Very high | 70 Ų | 70 | 111.5 Ų | 111.5 | 47% | 0.473 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.5 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | L125 R126 L132 E133 | L125-C129 PolarHBondContact O-N 3.17Å; L125-C129 PolarHBondContact O-SG 2.9Å; L125-C129 VanDerWaalsContact O-SG 3.33Å; R126-C129 PolarHBondContact O-N 3.3Å; C129-L132 PolarHBondContact O-N 3.45Å; C129-E133 WeakPolarHBondContact O-CB 3.47Å; C129-E133 PolarHBondContact O-N 3Å |
| 130 | K | 97.2 | Very high | 95.3 | Very high | 130 Ų | 130 | 108.7 Ų | 108.7 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | 176.4 | -173 | 176.4 | -179.1 | -179.5 | 0 | 112.2 | R126 E127 H128 L132 E133 D134 | R126-K130 WeakPolarHBondContact O-CB 3.1Å; R126-K130 PolarHBondContact O-N 3.01Å; E127-K130 PolarHBondContact O-N 3.33Å; H128-K130 VanDerWaalsContact C-N 3.3Å; H128-K130 PolarHBondContact O-N 2.96Å; K130-L132 VanDerWaalsContact C-N 3.29Å; K130-L132 PolarHBondContact O-N 3.23Å; K130-E133 PolarHBondContact O-N 3.37Å; K130-D134 VanDerWaalsContact O-CG 3.3Å; K130-D134 PolarHBondContact O-N 2.91Å |
| 131 | R | 97.3 | Very high | 94.6 | Very high | 127 Ų | 127 | 112 Ų | 112 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 176.3 | -74.8 | -170.2 | -70.6 | -104.3 | 4.2 | 112.5 | E127 H128 L135 | E127-R131 WeakPolarHBondContact O-CG 3.3Å; E127-R131 PolarHBondContact O-N 3.42Å; H128-R131 PolarHBondContact CD2-NH2 3.02Å; H128-R131 PolarHBondContact NE2-NH2 2.9Å; H128-R131 VanDerWaalsContact NE2-NH2 3.17Å; H128-R131 PolarHBondContact O-N 2.88Å; R131-L135 WeakPolarHBondContact O-CB 3.46Å; R131-L135 PolarHBondContact O-N 3.41Å; R131-L135 VanDerWaalsContact O-N 3.14Å |
| 132 | L | 96.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 108.7 Ų | 108.7 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.6 | -80.2 | 161.3 | 0 | 0 | 0 | 111.6 | H128 C129 K130 L135 L136 | H128-L132 PolarHBondContact O-N 3.27Å; C129-L132 PolarHBondContact O-N 3.45Å; K130-L132 VanDerWaalsContact C-N 3.29Å; K130-L132 PolarHBondContact O-N 3.23Å; L132-L135 PolarHBondContact O-N 2.97Å; L132-L136 WeakPolarHBondContact O-CB 3.5Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 3.37Å |
| 133 | E | 96.4 | Very high | 92.8 | Very high | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.8 | -49.5 | 176.3 | -176.4 | 175.7 | -162.8 | 0 | 0 | 111.3 | C129 K130 L135 L136 L137 | C129-E133 WeakPolarHBondContact O-CB 3.47Å; C129-E133 PolarHBondContact O-N 3Å; K130-E133 PolarHBondContact O-N 3.37Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.34Å; E133-L136 PolarHBondContact O-N 3.35Å; E133-L137 HydrophobicContact CG-CD1 3.96Å; E133-L137 HydrophobicContact CG-CG 4.44Å; E133-L137 WeakPolarHBondContact O-CB 3.43Å; E133-L137 VanDerWaalsContact O-CG 3.3Å; E133-L137 WeakPolarHBondContact O-CG 3.47Å; E133-L137 PolarHBondContact O-N 3.14Å |
| 134 | D | 95.8 | Very high | 91.7 | Very high | 73 Ų | 73 | 106.3 Ų | 106.3 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.1 | -45.5 | 177.6 | -69.8 | -28 | 0 | 0 | 0 | 111.2 | K130 L137 D138 | K130-D134 VanDerWaalsContact O-CG 3.3Å; K130-D134 PolarHBondContact O-N 2.91Å; D134-L137 PolarHBondContact O-N 3.05Å; D134-D138 WeakPolarHBondContact O-CB 3.3Å; D134-D138 PolarHBondContact O-N 3.2Å |
| 135 | L | 95.1 | Very high | 90.7 | Very high | 115 Ų | 115 | 109 Ų | 109 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 179.6 | -169 | 129.2 | 0 | 0 | 0 | 113 | R131 L132 E133 R139 | R131-L135 WeakPolarHBondContact O-CB 3.46Å; R131-L135 PolarHBondContact O-N 3.41Å; R131-L135 VanDerWaalsContact O-N 3.14Å; L132-L135 PolarHBondContact O-N 2.97Å; E133-L135 VanDerWaalsContact C-N 3.3Å; E133-L135 PolarHBondContact O-N 3.34Å; L135-R139 WeakPolarHBondContact O-CB 3.45Å; L135-R139 PolarHBondContact O-N 2.9Å |
| 136 | L | 93.6 | Very high | 89.6 | Confident | 114 Ų | 114 | 106.4 Ų | 106.4 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -40.2 | 175.9 | -72.3 | 173.8 | 0 | 0 | 0 | 111.5 | L132 E133 G140 | L132-L136 WeakPolarHBondContact O-CB 3.5Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 3.37Å; E133-L136 PolarHBondContact O-N 3.35Å; L136-G140 PolarHBondContact O-N 3.34Å |
| 137 | L | 92.9 | Very high | 88.5 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 176.4 | -69.4 | 173.4 | 0 | 0 | 0 | 111.7 | E133 D134 G140 R141 | E133-L137 HydrophobicContact CG-CD1 3.96Å; E133-L137 HydrophobicContact CG-CG 4.44Å; E133-L137 WeakPolarHBondContact O-CB 3.43Å; E133-L137 VanDerWaalsContact O-CG 3.3Å; E133-L137 WeakPolarHBondContact O-CG 3.47Å; E133-L137 PolarHBondContact O-N 3.14Å; D134-L137 PolarHBondContact O-N 3.05Å; L137-G140 PolarHBondContact O-N 2.65Å; L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 2.99Å |
| 138 | D | 87.6 | Confident | 87.3 | Confident | 76 Ų | 76 | 104.6 Ų | 104.6 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 175.2 | -79.7 | -21.8 | 0 | 0 | 0 | 111.8 | D134 G140 R141 D142 | D134-D138 WeakPolarHBondContact O-CB 3.3Å; D134-D138 PolarHBondContact O-N 3.2Å; D138-G140 VanDerWaalsContact C-N 3.28Å; D138-G140 PolarHBondContact O-N 2.92Å; D138-R141 WeakPolarHBondContact O-CB 3.37Å; D138-R141 PolarHBondContact O-N 3.31Å; D138-R141 VanDerWaalsContact O-N 3.11Å; D138-R141 IonicContact OD1-CZ 2.89Å; D138-R141 IonicContact OD1-NE 2.65Å; D138-R141 PolarHBondContact OD1-NE 3.46Å; D138-R141 IonicContact OD1-NH2 3.44Å; D138-R141 PolarHBondContact OD1-NH2 3.03Å; D138-D142 PolarHBondContact O-N 2.87Å |
| 139 | R | 86 | Confident | 86 | Confident | 187 Ų | 187 | 107.2 Ų | 107.2 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | 176.9 | -169.4 | 178.5 | -178.5 | -150.4 | -0.1 | 112.3 | L135 A143 | L135-R139 WeakPolarHBondContact O-CB 3.45Å; L135-R139 PolarHBondContact O-N 2.9Å; R139-A143 WeakPolarHBondContact O-CB 3.31Å; R139-A143 PolarHBondContact O-N 3.11Å |
| 140 | G | 82.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 107.7 Ų | 107.7 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L136 L137 D138 A143 L144 | L136-G140 PolarHBondContact O-N 3.34Å; L137-G140 PolarHBondContact O-N 2.65Å; D138-G140 VanDerWaalsContact C-N 3.28Å; D138-G140 PolarHBondContact O-N 2.92Å; G140-A143 PolarHBondContact O-N 3.44Å; G140-L144 PolarHBondContact O-N 3.04Å |
| 141 | R | 84.6 | Confident | 82.9 | Confident | 137 Ų | 137 | 109.7 Ų | 109.7 | 52% | 0.517 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 175.2 | -75.6 | -171.6 | -78.2 | -127.8 | 4.5 | 112.1 | L137 D138 L144 R145 | L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 2.99Å; D138-R141 WeakPolarHBondContact O-CB 3.37Å; D138-R141 PolarHBondContact O-N 3.31Å; D138-R141 VanDerWaalsContact O-N 3.11Å; D138-R141 IonicContact OD1-CZ 2.89Å; D138-R141 IonicContact OD1-NE 2.65Å; D138-R141 PolarHBondContact OD1-NE 3.46Å; D138-R141 IonicContact OD1-NH2 3.44Å; D138-R141 PolarHBondContact OD1-NH2 3.03Å; R141-L144 PolarHBondContact O-N 3.13Å; R141-R145 WeakPolarHBondContact O-CG 3.41Å; R141-R145 PolarHBondContact O-N 3.07Å |
| 142 | D | 80.8 | Confident | 80.9 | Confident | 100 Ų | 100 | 107.7 Ų | 107.7 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.1 | -41.7 | 178 | -72.6 | -23.7 | 0 | 0 | 0 | 111.8 | D138 L144 R145 A146 | D138-D142 PolarHBondContact O-N 2.87Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.43Å; D142-R145 PolarHBondContact O-N 3.25Å; D142-A146 WeakPolarHBondContact O-CB 3.48Å; D142-A146 PolarHBondContact O-N 2.9Å |
| 143 | A | 76.3 | Confident | 78.6 | Confident | 59 Ų | 59 | 112.6 Ų | 112.6 | 49% | 0.488 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.2 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R139 G140 A146 T147 | R139-A143 WeakPolarHBondContact O-CB 3.31Å; R139-A143 PolarHBondContact O-N 3.11Å; G140-A143 PolarHBondContact O-N 3.44Å; A143-A146 PolarHBondContact O-N 3.08Å; A143-T147 PolarHBondContact O-N 2.77Å; A143-T147 VanDerWaalsContact O-N 3.07Å; A143-T147 PolarHBondContact O-OG1 3.47Å |
| 144 | L | 75.9 | Confident | 77.7 | Confident | 103 Ų | 103 | 112.4 Ų | 112.4 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.4 | -34.7 | 176.7 | -146.8 | 92.5 | 0 | 0 | 0 | 112.4 | G140 R141 D142 T147 K148 | G140-L144 PolarHBondContact O-N 3.04Å; R141-L144 PolarHBondContact O-N 3.13Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.43Å; L144-T147 VanDerWaalsContact CA-OG1 3.31Å; L144-T147 WeakPolarHBondContact CA-OG1 3.43Å; L144-T147 PolarHBondContact O-OG1 3.17Å; L144-T147 VanDerWaalsContact O-OG1 3.08Å; L144-K148 WeakPolarHBondContact O-CG 3.34Å; L144-K148 PolarHBondContact O-N 3.31Å; L144-K148 VanDerWaalsContact O-N 3.13Å |
| 145 | R | 76.7 | Confident | 76.8 | Confident | 176 Ų | 176 | 114.4 Ų | 114.4 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.8 | -39.1 | 174.3 | -78.1 | -179.8 | 178.5 | -160.8 | 0.2 | 111.6 | R141 D142 K148 K149 | R141-R145 WeakPolarHBondContact O-CG 3.41Å; R141-R145 PolarHBondContact O-N 3.07Å; D142-R145 PolarHBondContact O-N 3.25Å; R145-K148 PolarHBondContact O-N 3.44Å; R145-K149 PolarHBondContact O-N 2.9Å |
| 146 | A | 74.9 | Confident | 75.8 | Confident | 59 Ų | 59 | 114.4 Ų | 114.4 | 49% | 0.488 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.6 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D142 A143 K149 S150 | D142-A146 WeakPolarHBondContact O-CB 3.48Å; D142-A146 PolarHBondContact O-N 2.9Å; A143-A146 PolarHBondContact O-N 3.08Å; A146-K149 PolarHBondContact O-N 3.13Å; A146-S150 PolarHBondContact O-N 2.73Å; A146-S150 PolarHBondContact O-OG 3.18Å |
| 147 | T | 73.7 | Confident | 74.7 | Confident | 80 Ų | 80 | 114.4 Ų | 114.4 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.6 | -39.3 | 174.9 | 32.7 | 0 | 0 | 0 | 0 | 112.8 | A143 L144 S150 Q151 | A143-T147 PolarHBondContact O-N 2.77Å; A143-T147 VanDerWaalsContact O-N 3.07Å; A143-T147 PolarHBondContact O-OG1 3.47Å; L144-T147 VanDerWaalsContact CA-OG1 3.31Å; L144-T147 WeakPolarHBondContact CA-OG1 3.43Å; L144-T147 PolarHBondContact O-OG1 3.17Å; L144-T147 VanDerWaalsContact O-OG1 3.08Å; T147-S150 WeakPolarHBondContact CA-OG 3.36Å; T147-S150 PolarHBondContact O-N 3.43Å; T147-S150 PolarHBondContact O-OG 3.37Å; T147-S150 VanDerWaalsContact O-OG 3.13Å; T147-Q151 PolarHBondContact O-N 3.5Å |
| 148 | K | 74.3 | Confident | 73.6 | Confident | 138 Ų | 138 | 116 Ų | 116 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.3 | -35 | 174.8 | -75.1 | 179 | 179 | -175.4 | 0 | 113.6 | L144 R145 A152 | L144-K148 WeakPolarHBondContact O-CG 3.34Å; L144-K148 PolarHBondContact O-N 3.31Å; L144-K148 VanDerWaalsContact O-N 3.13Å; R145-K148 PolarHBondContact O-N 3.44Å; K148-A152 PolarHBondContact O-N 3.05Å |
| 149 | K | 69.8 | Low | 72.7 | Confident | 159 Ų | 159 | 118.7 Ų | 118.7 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.9 | -37.8 | 174.5 | -79.6 | -177.6 | 174.9 | -175.6 | 0 | 112.4 | R145 A146 Q151 A152 | R145-K149 PolarHBondContact O-N 2.9Å; A146-K149 PolarHBondContact O-N 3.13Å; K149-Q151 VanDerWaalsContact C-N 3.33Å; K149-A152 PolarHBondContact O-N 3.34Å |
| 150 | S | 65.1 | Low | 71.7 | Confident | 80 Ų | 80 | 113.8 Ų | 113.8 | 56% | 0.559 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -78.5 | -12.8 | 179.5 | 35.9 | 0 | 0 | 0 | 0 | 114.5 | A146 T147 | A146-S150 PolarHBondContact O-N 2.73Å; A146-S150 PolarHBondContact O-OG 3.18Å; T147-S150 WeakPolarHBondContact CA-OG 3.36Å; T147-S150 PolarHBondContact O-N 3.43Å; T147-S150 PolarHBondContact O-OG 3.37Å; T147-S150 VanDerWaalsContact O-OG 3.13Å |
| 151 | Q | 64.9 | Low | 70.8 | Confident | 172 Ų | 172 | 119.4 Ų | 119.4 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -7.8 | 169.5 | -98.6 | -173.4 | -15.3 | 0 | 0 | 113.8 | T147 K149 | T147-Q151 PolarHBondContact O-N 3.5Å; K149-Q151 VanDerWaalsContact C-N 3.33Å |
| 152 | A | 55.8 | Low | 69.7 | Low | 85 Ų | 85 | 117.9 Ų | 117.9 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | trans | -105.9 | 0.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K148 K149 | K148-A152 PolarHBondContact O-N 3.05Å; K149-A152 PolarHBondContact O-N 3.34Å | ||
| 153 | D | 48.2 | Very low | 68.7 | Low | 204 Ų | 204 | 119.5 Ų | 119.5 | 100% | 1.091 | 65% | 0.647 | S | S | * | * | trans | -99.3 | 0 | 164.3 | -75.7 | -28.8 | 0 | 0 | 0 | 109.4 |
Retrieved 153 of 153 residues in 92.3 ms
(Link to these results)