| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 47.6 | Very low | 240 Ų | 240 | 139.5 Ų | 139.5 | 100% | 1.182 | 76% | 0.756 | S | S | * | * | 0 | 100.9 | 0 | -59.2 | -165.1 | 97.6 | 0 | 0 | 107.6 | |||||
| 2 | S | 42.5 | Very low | 47.7 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -87.5 | 123.3 | -174.3 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | S | 41.4 | Very low | 48 | Very low | 96 Ų | 96 | 151 Ų | 151 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | -62.9 | 146.1 | -171.3 | -52.4 | 0 | 0 | 0 | 0 | 113 | G5 | S3-G5 PolarHBondContact O-N 2.91Š| ||
| 4 | P | 52.2 | Low | 47.9 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 6.5 | -166.5 | -15 | 31 | 0 | 0 | 0 | 115.9 | ||
| 5 | G | 49.4 | Very low | 47.8 | Very low | 50 Ų | 50 | 147.4 Ų | 147.4 | 52% | 0.515 | 76% | 0.761 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -26.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | S3 | S3-G5 PolarHBondContact O-N 2.91Š|
| 6 | E | 49.1 | Very low | 47.5 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -85.2 | -21 | -171.1 | -73.9 | -172.9 | 143.6 | 0 | 0 | 114.3 | K8 F9 | E6-K8 PolarHBondContact O-N 2.99Å; E6-F9 PolarHBondContact O-N 2.96Å |
| 7 | K | 50.6 | Low | 47.2 | Very low | 185 Ų | 185 | 156.5 Ų | 156.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | H | α-helix | trans | -71.5 | -27.8 | 179.7 | -77.6 | -174.6 | 176.9 | -179.9 | 0 | 113.6 | F9 A10 | K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 2.99Å; K7-A10 PolarHBondContact O-N 2.87Å |
| 8 | K | 50 | Low | 47.1 | Very low | 172 Ų | 172 | 158.6 Ų | 158.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | H | α-helix | trans | -74.6 | -14.9 | 178.3 | -79.4 | -169 | 176.6 | -179.5 | 0 | 114.5 | E6 | E6-K8 PolarHBondContact O-N 2.99Å |
| 9 | F | 50.3 | Low | 47 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 69% | 0.689 | 78% | 0.779 | S | S | * | * | H | α-helix | trans | -87.5 | -22.9 | 176.4 | -82.9 | -79.9 | 0 | 0 | 0 | 113.7 | E6 K7 | E6-F9 PolarHBondContact O-N 2.96Å; K7-F9 VanDerWaalsContact C-N 3.3Å; K7-F9 PolarHBondContact O-N 2.99Å |
| 10 | A | 50.4 | Low | 46.9 | Very low | 67 Ų | 67 | 158.2 Ų | 158.2 | 55% | 0.554 | 79% | 0.785 | S | S | * | * | H | α-helix | trans | -75.6 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K7 R12 R13 | K7-A10 PolarHBondContact O-N 2.87Å; A10-R12 VanDerWaalsContact C-N 3.33Å; A10-R12 PolarHBondContact O-N 3.3Å; A10-R13 PolarHBondContact O-N 3.09Å |
| 11 | E | 46 | Very low | 46.7 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | H | α-helix | trans | -75.7 | -21.7 | -173.8 | -153.8 | 164.5 | -157.6 | 0 | 0 | 113.4 | R13 | E11-R13 VanDerWaalsContact C-N 3.28Å; E11-R13 PolarHBondContact O-N 3.43Å |
| 12 | R | 49.4 | Very low | 47 | Very low | 222 Ų | 222 | 154.9 Ų | 154.9 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -8 | 176.6 | -111.3 | -179.9 | 167.4 | -172.9 | -3.1 | 114.7 | A10 | A10-R12 VanDerWaalsContact C-N 3.33Å; A10-R12 PolarHBondContact O-N 3.3Å |
| 13 | R | 51.8 | Low | 46.8 | Very low | 207 Ų | 207 | 158 Ų | 158 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -11.1 | -176.2 | -75.6 | -172.4 | -179 | 157.1 | 4.3 | 115 | A10 E11 | A10-R13 PolarHBondContact O-N 3.09Å; E11-R13 VanDerWaalsContact C-N 3.28Å; E11-R13 PolarHBondContact O-N 3.43Å |
| 14 | N | 46 | Very low | 46.6 | Very low | 149 Ų | 149 | 160.5 Ų | 160.5 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -106.8 | 0.4 | -173.5 | -72.4 | -11 | 0 | 0 | 0 | 116.4 | ||
| 15 | S | 46.5 | Very low | 46 | Very low | 99 Ų | 99 | 159.7 Ų | 159.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -100.6 | 8.4 | -178.2 | 90.9 | 0 | 0 | 0 | 0 | 117 | ||
| 16 | K | 43.8 | Very low | 45.6 | Very low | 204 Ų | 204 | 164.3 Ų | 164.3 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -118.6 | 54.2 | 176.3 | -72.9 | -171.7 | 178.9 | -178 | 0 | 113.2 | ||||
| 17 | R | 41.3 | Very low | 45.1 | Very low | 246 Ų | 246 | 161.4 Ų | 161.4 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | -105.2 | 59 | 156.8 | -120.3 | -177.8 | 179.3 | -176.3 | -1 | 108.6 | S19 | R17-S19 PolarHBondContact O-N 3.12Š| ||
| 18 | K | 45.3 | Very low | 44.5 | Very low | 194 Ų | 194 | 156.8 Ų | 156.8 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -79 | 105.4 | 164.7 | -81.6 | -169.1 | 176 | -174.2 | 0 | 107.3 | F20 | K18-F20 PolarHBondContact O-N 3.15Å; K18-F20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | S | 46.5 | Very low | 44 | Very low | 104 Ų | 104 | 153.8 Ų | 153.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -44.3 | 105.5 | 165.6 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | R17 T21 | R17-S19 PolarHBondContact O-N 3.12Å; S19-T21 PolarHBondContact O-N 2.71Å | ||
| 20 | F | 43.6 | Very low | 43.4 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -91.1 | 90.8 | 165.8 | -136.5 | -91.5 | 0 | 0 | 0 | 106.8 | K18 R22 | K18-F20 PolarHBondContact O-N 3.15Å; K18-F20 VanDerWaalsContact O-N 3.07Å; F20-R22 PolarHBondContact O-N 3.16Å; F20-R22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | T | 43.2 | Very low | 42.8 | Very low | 123 Ų | 123 | 159.9 Ų | 159.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 103 | 172.9 | -37.3 | 0 | 0 | 0 | 0 | 107.2 | S19 Q23 | S19-T21 PolarHBondContact O-N 2.71Å; T21-Q23 PolarHBondContact O-N 3.22Å | ||
| 22 | R | 46.8 | Very low | 42.3 | Very low | 207 Ų | 207 | 159.5 Ų | 159.5 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 97.9 | 178.8 | -174.1 | 179.3 | -179.6 | -149.8 | -1.2 | 108.4 | F20 Q24 | F20-R22 PolarHBondContact O-N 3.16Å; F20-R22 VanDerWaalsContact O-N 3.08Å; R22-Q24 PolarHBondContact O-N 3.27Å | ||
| 23 | Q | 38.6 | Very low | 41.8 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -57.7 | 109.3 | 163.9 | -80.9 | -177.1 | -12.1 | 0 | 0 | 108.1 | T21 S25 | T21-Q23 PolarHBondContact O-N 3.22Å; Q23-S25 PolarHBondContact O-N 3.46Å | ||
| 24 | Q | 38.8 | Very low | 41 | Very low | 147 Ų | 147 | 154.5 Ų | 154.5 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -80.2 | 89.2 | 168 | -72.5 | 179.9 | -26.5 | 0 | 0 | 107.3 | R22 N26 | R22-Q24 PolarHBondContact O-N 3.27Å; Q24-N26 PolarHBondContact O-N 3.32Å | ||
| 25 | S | 39.3 | Very low | 40.5 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 98 | 161.4 | 38.9 | 0 | 0 | 0 | 0 | 107.8 | Q23 S27 | Q23-S25 PolarHBondContact O-N 3.46Å; S25-S27 PolarHBondContact O-N 3.36Å | ||
| 26 | N | 39.3 | Very low | 39.9 | Very low | 147 Ų | 147 | 154 Ų | 154 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 80 | 165.4 | -70 | -29.6 | 0 | 0 | 0 | 108.4 | Q24 A28 | Q24-N26 PolarHBondContact O-N 3.32Å; N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.47Å | ||
| 27 | S | 40 | Very low | 39.4 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -75.2 | 93.5 | 167 | 60.7 | 0 | 0 | 0 | 0 | 108 | S25 V29 | S25-S27 PolarHBondContact O-N 3.36Å; S27-V29 VanDerWaalsContact C-N 3.3Å; S27-V29 PolarHBondContact O-N 3.49Å | ||
| 28 | A | 38.5 | Very low | 39.1 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 93.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | N26 K30 | N26-A28 VanDerWaalsContact C-N 3.34Å; N26-A28 PolarHBondContact O-N 3.47Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 2.9Å | ||
| 29 | V | 38.7 | Very low | 38.9 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | -69.9 | 96.5 | 167 | 178.4 | 0 | 0 | 0 | 0 | 106.1 | S27 E31 | S27-V29 VanDerWaalsContact C-N 3.3Å; S27-V29 PolarHBondContact O-N 3.49Å; V29-E31 HydrophobicContact CG1-CG 4.07Å; V29-E31 PolarHBondContact O-N 3.23Å | ||
| 30 | K | 36.9 | Very low | 38.6 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -74.1 | 94.7 | 163.2 | -65.2 | -176.4 | -178.7 | -177.7 | 0 | 106.1 | A28 | A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 2.9Å | ||
| 31 | E | 39.3 | Very low | 38.2 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | -86.2 | 117.8 | 163.1 | -98 | 178.9 | 161.6 | 0 | 0 | 108.3 | V29 V33 | V29-E31 HydrophobicContact CG1-CG 4.07Å; V29-E31 PolarHBondContact O-N 3.23Å; E31-V33 PolarHBondContact O-N 3.09Å | ||
| 32 | D | 34.7 | Very low | 37.8 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -61.8 | 95.6 | 179.2 | -67.3 | -50.7 | 0 | 0 | 0 | 110.6 | K34 | D32-K34 VanDerWaalsContact C-N 3.35Å; D32-K34 PolarHBondContact O-N 2.94Å | ||
| 33 | V | 38.5 | Very low | 37.2 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -73.6 | 95.8 | 168 | -179.3 | 0 | 0 | 0 | 0 | 108 | E31 A35 | E31-V33 PolarHBondContact O-N 3.09Å; V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 2.76Å | ||
| 34 | K | 35.5 | Very low | 36.8 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -59.4 | 90.7 | 171.2 | -147.3 | 173.6 | -170.1 | 176.3 | 0 | 109.4 | D32 N36 | D32-K34 VanDerWaalsContact C-N 3.35Å; D32-K34 PolarHBondContact O-N 2.94Å; K34-N36 PolarHBondContact O-N 3.5Å | ||
| 35 | A | 35.8 | Very low | 36.6 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -82.6 | 101.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V33 | V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 2.76Å | ||
| 36 | N | 32.9 | Very low | 36.3 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -152.8 | 126.9 | 163.8 | -77.8 | -39.3 | 0 | 0 | 0 | 104.9 | K34 | K34-N36 PolarHBondContact O-N 3.5Š| ||
| 37 | A | 33.5 | Very low | 36.1 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -149.2 | 141.4 | 20.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | A | 34.4 | Very low | 35.7 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 130.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | T40 | A38-T40 PolarHBondContact O-N 3.4Š| ||
| 39 | P | 41.6 | Very low | 35.4 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 114.6 | 166.7 | 27.7 | -28.8 | 0 | 0 | 0 | 109 | N41 | P39-N41 PolarHBondContact O-N 2.99Š| ||
| 40 | T | 39.8 | Very low | 35 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -56.7 | 99.8 | 167.4 | 21.8 | 0 | 0 | 0 | 0 | 110 | A38 R42 | A38-T40 PolarHBondContact O-N 3.4Å; T40-R42 PolarHBondContact O-N 3.11Å | ||
| 41 | N | 36.8 | Very low | 34.9 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -69.1 | 108 | 168.4 | -77.2 | -39.6 | 0 | 0 | 0 | 108.8 | P39 | P39-N41 PolarHBondContact O-N 2.99Š| ||
| 42 | R | 34.8 | Very low | 34.6 | Very low | 249 Ų | 249 | 152.4 Ų | 152.4 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 142.8 | 168.7 | -104.8 | 178.2 | 175.5 | 159.8 | -2.2 | 110.2 | T40 | T40-R42 PolarHBondContact O-N 3.11Š|
| 43 | I | 34.3 | Very low | 34.7 | Very low | 158 Ų | 158 | 154 Ų | 154 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 146.3 | -167.5 | -68.4 | 158.3 | 0 | 0 | 0 | 112.5 | ||
| 44 | H | 29 | Very low | 34.5 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 148.2 | 170.1 | -66.2 | -91.7 | 0 | 0 | 0 | 116.1 | ||
| 45 | P | 34.5 | Very low | 34.5 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -106.7 | 134.6 | 137.6 | 30.3 | -18.6 | 0 | 0 | 0 | 110.9 | ||||
| 46 | K | 32.5 | Very low | 34.5 | Very low | 195 Ų | 195 | 159 Ų | 159 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -85 | 150 | 172.6 | -68.2 | 172.5 | 173.1 | 178.1 | 0 | 110.5 | ||||
| 47 | T | 36.4 | Very low | 34.7 | Very low | 134 Ų | 134 | 156.7 Ų | 156.7 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -160.4 | 106.5 | 152 | 29.2 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 48 | E | 31.4 | Very low | 34.7 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | 42 | 129.7 | 84.4 | -75.9 | -175.4 | 166.1 | 0 | 0 | 112.3 | |||||
| 49 | E | 31.2 | Very low | 34.7 | Very low | 137 Ų | 137 | 163.3 Ų | 163.3 | 64% | 0.64 | 82% | 0.82 | S | S | * | * | cis | -167.1 | 150 | 24.3 | -139.6 | -169.6 | 156.7 | 0 | 0 | 110 | ||||
| 50 | K | 30.2 | Very low | 34.4 | Very low | 169 Ų | 169 | 167.6 Ų | 167.6 | 74% | 0.735 | 83% | 0.831 | S | S | * | * | trans | 37.4 | 128.2 | 146.9 | -72 | 170 | -170 | 157.9 | 0 | 121.7 | ||||
| 51 | K | 36.6 | Very low | 34.2 | Very low | 211 Ų | 211 | 170 Ų | 170 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | -157.4 | 111.4 | 117.2 | -106.2 | 170.4 | -171.9 | -178.8 | 0 | 110.8 | |||||
| 52 | E | 32.5 | Very low | 34 | Very low | 165 Ų | 165 | 170.3 Ų | 170.3 | 77% | 0.771 | 83% | 0.83 | S | S | * | * | trans | -67.7 | 134.1 | 163.6 | -70.6 | 177.3 | 123 | 0 | 0 | 109.6 | ||||
| 53 | M | 37.2 | Very low | 33.9 | Very low | 193 Ų | 193 | 164.2 Ų | 164.2 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | trans | -134.5 | 110.5 | 146.2 | -87.2 | -169.4 | 172.4 | 0 | 0 | 108.4 | ||||
| 54 | K | 33 | Very low | 33.8 | Very low | 177 Ų | 177 | 161.4 Ų | 161.4 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -72.8 | 129.3 | 166.3 | -80.9 | 167.5 | 171.9 | 160.8 | 0 | 108.8 | ||||
| 55 | T | 36.4 | Very low | 34 | Very low | 143 Ų | 143 | 159.8 Ų | 159.8 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -131.5 | 116.1 | 149.7 | 35.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 56 | K | 35.2 | Very low | 33.9 | Very low | 193 Ų | 193 | 158 Ų | 158 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -73.4 | 137.3 | 170.1 | -65.6 | 178.5 | 172.8 | -173.8 | 0 | 108 | ||||
| 57 | A | 36.8 | Very low | 33.8 | Very low | 103 Ų | 103 | 157.6 Ų | 157.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -129.9 | 120.6 | 154 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 58 | D | 34.2 | Very low | 33.8 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -65.7 | 155.9 | -170.2 | -92.2 | -49.5 | 0 | 0 | 0 | 113.9 | ||||
| 59 | E | 33.5 | Very low | 34 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -58.9 | 128.4 | 177.3 | -55.4 | -176.2 | 147.3 | 0 | 0 | 112.8 | ||||
| 60 | E | 36.6 | Very low | 34.3 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | -114.7 | 137.3 | 147.5 | -86.9 | -162.6 | 155.2 | 0 | 0 | 111 | ||||
| 61 | K | 35.1 | Very low | 34.9 | Very low | 192 Ų | 192 | 156.2 Ų | 156.2 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -80.1 | 130.4 | -157.2 | -70.3 | 170.8 | 175.6 | 173.6 | 0 | 112.9 | ||||
| 62 | L | 32.5 | Very low | 35.1 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -19.9 | 124.2 | 147.6 | -63.3 | 152.9 | 0 | 0 | 0 | 115.9 | ||||
| 63 | S | 32.9 | Very low | 35.5 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -129.5 | 93.8 | 138 | 79.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 64 | S | 32.1 | Very low | 35.8 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -87.9 | 124.4 | 174.4 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 65 | T | 33.7 | Very low | 35.9 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -136.6 | 91.6 | 161.8 | -44.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 66 | S | 31.2 | Very low | 36.1 | Very low | 87 Ų | 87 | 148.8 Ų | 148.8 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | trans | 39.2 | 108.9 | 137.6 | -160.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 67 | H | 30.4 | Very low | 36.4 | Very low | 188 Ų | 188 | 145 Ų | 145 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | 163.5 | 86.9 | 112.9 | -90.5 | -56.2 | 0 | 0 | 0 | 109 | |||||
| 68 | S | 36.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -127.5 | 116.8 | 167.4 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 69 | G | 37.1 | Very low | 36.5 | Very low | 63 Ų | 63 | 147.3 Ų | 147.3 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -58.6 | 140.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L71 | G69-L71 VanDerWaalsContact C-N 3.28Å; G69-L71 PolarHBondContact O-N 3.34Å | ||
| 70 | R | 36.2 | Very low | 36.8 | Very low | 254 Ų | 254 | 146.2 Ų | 146.2 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -52.9 | 88.7 | 167.9 | -80 | 175.9 | 164.3 | 174.7 | -4.8 | 110.1 | S72 | R70-S72 PolarHBondContact O-N 3.13Š| ||
| 71 | L | 43.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -77.5 | 103.7 | 157.1 | -70.8 | 173.8 | 0 | 0 | 0 | 105.7 | G69 F73 | G69-L71 VanDerWaalsContact C-N 3.28Å; G69-L71 PolarHBondContact O-N 3.34Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 WeakPolarHBondContact O-CD2 3.27Å; L71-F73 PolarHBondContact O-N 3.3Å | ||
| 72 | S | 39.2 | Very low | 36.9 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -54.2 | 97.7 | 170.3 | 37.1 | 0 | 0 | 0 | 0 | 108.6 | R70 L74 | R70-S72 PolarHBondContact O-N 3.13Å; S72-L74 PolarHBondContact O-N 3.34Å | ||
| 73 | F | 42.2 | Very low | 37.3 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | trans | -60.7 | 96.8 | 165.4 | -74.3 | -82.7 | 0 | 0 | 0 | 107.1 | L71 N75 | L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 WeakPolarHBondContact O-CD2 3.27Å; L71-F73 PolarHBondContact O-N 3.3Å; F73-N75 PolarHBondContact O-N 3.16Å | ||
| 74 | L | 43.4 | Very low | 37.5 | Very low | 132 Ų | 132 | 141 Ų | 141 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -45 | 114 | 162.2 | -78.6 | 155.8 | 0 | 0 | 0 | 106.7 | S72 F76 | S72-L74 PolarHBondContact O-N 3.34Å; L74-F76 HydrophobicContact CB-CD2 3.87Å; L74-F76 HydrophobicContact CB-CE2 3.73Å; L74-F76 HydrophobicContact CD1-CE2 4.31Å; L74-F76 WeakPolarHBondContact O-CD2 3.4Å; L74-F76 PolarHBondContact O-N 3.01Å | ||
| 75 | N | 35.5 | Very low | 38 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -61.5 | 80.2 | 177.5 | -123.2 | -32.3 | 0 | 0 | 0 | 108.6 | F73 T77 | F73-N75 PolarHBondContact O-N 3.16Å; N75-T77 PolarHBondContact O-N 3.21Å; N75-T77 VanDerWaalsContact O-N 3.17Å; N75-T77 PolarHBondContact OD1-OG1 3.43Å; N75-T77 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 76 | F | 39.2 | Very low | 38.2 | Very low | 156 Ų | 156 | 140 Ų | 140 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -75.7 | 12.1 | 175.7 | -88.7 | -77.4 | 0 | 0 | 0 | 112.7 | L74 K78 | L74-F76 HydrophobicContact CB-CD2 3.87Å; L74-F76 HydrophobicContact CB-CE2 3.73Å; L74-F76 HydrophobicContact CD1-CE2 4.31Å; L74-F76 WeakPolarHBondContact O-CD2 3.4Å; L74-F76 PolarHBondContact O-N 3.01Å; F76-K78 PolarHBondContact O-N 3.22Å; F76-K78 VanDerWaalsContact O-N 3.14Å |
| 77 | T | 43 | Very low | 38.8 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -74.1 | 3.8 | -179.1 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | N75 | N75-T77 PolarHBondContact O-N 3.21Å; N75-T77 VanDerWaalsContact O-N 3.17Å; N75-T77 PolarHBondContact OD1-OG1 3.43Å; N75-T77 VanDerWaalsContact OD1-OG1 3.08Å |
| 78 | K | 39.2 | Very low | 39.3 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -112.7 | 3.7 | 179.7 | -71.5 | -167.6 | 177.6 | -177 | 0 | 116.9 | F76 | F76-K78 PolarHBondContact O-N 3.22Å; F76-K78 VanDerWaalsContact O-N 3.14Å |
| 79 | C | 33.9 | Very low | 39.8 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -129.2 | 16 | -179.5 | -66.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 80 | L | 37.8 | Very low | 39.9 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -110.8 | 78.4 | 169.3 | -67.9 | 167.1 | 0 | 0 | 0 | 108.1 | P82 | L80-P82 WeakPolarHBondContact O-CD 3.3Š| ||
| 81 | S | 34.7 | Very low | 39.9 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | -48.4 | 122.7 | 157.1 | 37.3 | 0 | 0 | 0 | 0 | 107.6 | L83 | S81-L83 PolarHBondContact O-N 2.86Š| ||
| 82 | P | 41 | Very low | 39.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -58.7 | 110.7 | -178.6 | -19.6 | 29.6 | 0 | 0 | 0 | 108.2 | L80 K84 | L80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-K84 VanDerWaalsContact C-N 3.27Å; P82-K84 PolarHBondContact O-N 3.16Å | ||
| 83 | L | 40.5 | Very low | 39.8 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | -57.6 | 103.8 | 161.6 | -97.7 | 88.3 | 0 | 0 | 0 | 105.5 | S81 T85 | S81-L83 PolarHBondContact O-N 2.86Å; L83-T85 PolarHBondContact O-N 3.39Å | ||
| 84 | K | 37.4 | Very low | 39.9 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 84% | 0.839 | 70% | 0.695 | S | S | * | * | trans | -45 | 110.9 | 165.9 | -88.1 | 172.9 | 167.6 | 177 | 0 | 108.1 | P82 | P82-K84 VanDerWaalsContact C-N 3.27Å; P82-K84 PolarHBondContact O-N 3.16Å | ||
| 85 | T | 42.5 | Very low | 39.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 58% | 0.577 | 70% | 0.703 | S | S | * | * | trans | 44.9 | 79.1 | 142.9 | 49 | 0 | 0 | 0 | 0 | 115.5 | L83 N87 | L83-T85 PolarHBondContact O-N 3.39Å; T85-N87 PolarHBondContact O-N 3.09Å | ||
| 86 | M | 38 | Very low | 40.2 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 59% | 0.591 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -68.4 | 5.4 | 153 | -71.2 | -154.4 | -57.3 | 0 | 0 | 112.9 | D88 I89 | M86-D88 PolarHBondContact O-N 3Å; M86-I89 PolarHBondContact O-N 3.35Å; M86-I89 VanDerWaalsContact O-N 3.13Å |
| 87 | N | 42.2 | Very low | 40.2 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -63.2 | -19.6 | 173.9 | -91.3 | 4 | 0 | 0 | 0 | 113.5 | T85 | T85-N87 PolarHBondContact O-N 3.09Š|
| 88 | D | 42.4 | Very low | 40 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -83.5 | -13.9 | 175.7 | -69.8 | -19.2 | 0 | 0 | 0 | 113.3 | M86 | M86-D88 PolarHBondContact O-N 3Š|
| 89 | I | 47.4 | Very low | 40.1 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 61% | 0.61 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -28.1 | 177.4 | -60.2 | 177.2 | 0 | 0 | 0 | 111 | M86 P92 | M86-I89 PolarHBondContact O-N 3.35Å; M86-I89 VanDerWaalsContact O-N 3.13Å; I89-P92 WeakPolarHBondContact O-CD 3.32Å |
| 90 | F | 38.7 | Very low | 40.5 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -100 | 9.3 | -176.6 | -79.3 | -77.1 | 0 | 0 | 0 | 115.3 | ||
| 91 | N | 36.4 | Very low | 40.5 | Very low | 123 Ų | 123 | 119 Ų | 119 | 66% | 0.658 | 66% | 0.658 | S | S | * | * | trans | -121.4 | 30.3 | 178.6 | -122.6 | 0.8 | 0 | 0 | 0 | 118.1 | ||||
| 92 | P | 41.2 | Very low | 40.7 | Very low | 91 Ų | 91 | 119.1 Ų | 119.1 | 59% | 0.591 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -90.8 | 119.5 | 155.1 | 35 | -24.7 | 0 | 0 | 0 | 108.8 | I89 | I89-P92 WeakPolarHBondContact O-CD 3.32Š|
| 93 | V | 40 | Very low | 40.7 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 56% | 0.558 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 84.8 | 41.3 | 159.5 | -150.9 | 0 | 0 | 0 | 0 | 117.7 | K96 | V93-K96 HydrophobicContact CG1-CB 4.13Š|
| 94 | I | 42.8 | Very low | 40.8 | Very low | 121 Ų | 121 | 121 Ų | 121 | 62% | 0.621 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -88.5 | -23.3 | 154.4 | -62.6 | 178.3 | 0 | 0 | 0 | 111.5 | K96 | I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.13Å |
| 95 | N | 42.4 | Very low | 41 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 86% | 0.861 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 1.5 | 179.5 | -85.3 | 2.1 | 0 | 0 | 0 | 116.1 | ||
| 96 | K | 42.6 | Very low | 41.2 | Very low | 168 Ų | 168 | 118.5 Ų | 118.5 | 73% | 0.73 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | -8.6 | 175.4 | -76.6 | -169.7 | 177.8 | -174.8 | 0 | 115.6 | V93 I94 T100 | V93-K96 HydrophobicContact CG1-CB 4.13Å; I94-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact O-N 3.13Å; K96-T100 PolarHBondContact O-OG1 2.97Å |
| 97 | I | 40 | Very low | 41.1 | Very low | 114 Ų | 114 | 119.8 Ų | 119.8 | 59% | 0.585 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -23.6 | 179.4 | -60.7 | 172 | 0 | 0 | 0 | 111.4 | V99 T100 A101 | I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 PolarHBondContact O-N 3.3Å; I97-T100 PolarHBondContact O-N 3.43Å; I97-A101 PolarHBondContact O-N 3.07Å |
| 98 | G | 39.2 | Very low | 40.7 | Very low | 55 Ų | 55 | 124.1 Ų | 124.1 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -22 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 99 | V | 41.1 | Very low | 40.6 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -20.7 | -179.6 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | I97 T102 | I97-V99 VanDerWaalsContact C-N 3.26Å; I97-V99 PolarHBondContact O-N 3.3Å; V99-T102 PolarHBondContact O-OG1 2.94Å |
| 100 | T | 41.5 | Very low | 40.2 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 53% | 0.534 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | -23.2 | -178.6 | -3.7 | 0 | 0 | 0 | 0 | 113.3 | K96 I97 | K96-T100 PolarHBondContact O-OG1 2.97Å; I97-T100 PolarHBondContact O-N 3.43Å |
| 101 | A | 38.6 | Very low | 39.9 | Very low | 53 Ų | 53 | 127.1 Ų | 127.1 | 44% | 0.438 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -28.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I97 K103 | I97-A101 PolarHBondContact O-N 3.07Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.44Å |
| 102 | T | 38.2 | Very low | 39.9 | Very low | 100 Ų | 100 | 126 Ų | 126 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -17.4 | 179.3 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | V99 | V99-T102 PolarHBondContact O-OG1 2.94Š|
| 103 | K | 42.2 | Very low | 39.9 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -13.2 | 174.4 | -85.3 | -167.1 | 173.9 | -170.4 | 0 | 114.8 | A101 | A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.44Å |
| 104 | L | 42.2 | Very low | 39.7 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -97 | -2.1 | -178.4 | -76 | 171.7 | 0 | 0 | 0 | 114.3 | ||
| 105 | L | 41.1 | Very low | 39.2 | Very low | 139 Ų | 139 | 132 Ų | 132 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -92.3 | -8.1 | 177.6 | -78.5 | 157.7 | 0 | 0 | 0 | 113.7 | ||
| 106 | S | 47.2 | Very low | 38.7 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -84.7 | -23.8 | -179.3 | -43.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 107 | D | 35.9 | Very low | 38.3 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | -108 | 37.1 | -173.1 | -69.3 | -20.4 | 0 | 0 | 0 | 112.8 | P109 | D107-P109 WeakPolarHBondContact O-CD 3.36Š| ||
| 108 | R | 33.9 | Very low | 38.2 | Very low | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | trans | -93.9 | 105.5 | 170.4 | -156.9 | 173.6 | -172.9 | 170.5 | 1 | 109.3 | N110 | R108-N110 PolarHBondContact O-N 3.48Š| ||
| 109 | P | 40.4 | Very low | 38.2 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | trans | -59.8 | 130.6 | 174.6 | 21.7 | -30.3 | 0 | 0 | 0 | 109.8 | D107 Y111 | D107-P109 WeakPolarHBondContact O-CD 3.36Å; P109-Y111 PolarHBondContact O-N 2.96Å | ||
| 110 | N | 38.1 | Very low | 38 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -54.2 | 95.2 | 173.6 | -101.9 | -38 | 0 | 0 | 0 | 109.9 | R108 S112 | R108-N110 PolarHBondContact O-N 3.48Å; N110-S112 PolarHBondContact O-N 2.97Å | ||
| 111 | Y | 34 | Very low | 37.8 | Very low | 213 Ų | 213 | 135.8 Ų | 135.8 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -81.3 | 94.6 | 161.4 | -101.7 | -92.2 | 0 | 0 | 0 | 107.4 | P109 | P109-Y111 PolarHBondContact O-N 2.96Š| ||
| 112 | S | 35.2 | Very low | 37.7 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -56.2 | 130.3 | 161 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | N110 S114 | N110-S112 PolarHBondContact O-N 2.97Å; S112-S114 PolarHBondContact O-N 2.87Å | ||
| 113 | P | 40.6 | Very low | 37.9 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -67.2 | 110.3 | -177 | 25.8 | -30.6 | 0 | 0 | 0 | 109.3 | E115 | P113-E115 PolarHBondContact O-N 3.26Š| ||
| 114 | S | 36.7 | Very low | 37.8 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -68.2 | 113.8 | 167.2 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | S112 | S112-S114 PolarHBondContact O-N 2.87Š| ||
| 115 | E | 32.8 | Very low | 37.5 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -51.6 | 143.5 | 167.5 | -62.8 | 176.8 | 154.8 | 0 | 0 | 110.5 | P113 | P113-E115 PolarHBondContact O-N 3.26Š| ||
| 116 | G | 30.5 | Very low | 37.4 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 103 | 79.7 | 163 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 117 | S | 34.8 | Very low | 36.9 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -153.8 | 99.1 | 138 | -167.6 | 0 | 0 | 0 | 0 | 108.4 | M119 | S117-M119 PolarHBondContact O-N 3.09Š| ||
| 118 | E | 38.7 | Very low | 37 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -61.2 | 86.9 | 167.7 | -69.7 | 177.5 | 152.2 | 0 | 0 | 108.7 | A120 | E118-A120 PolarHBondContact O-N 2.98Å; E118-A120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | M | 38.8 | Very low | 37.3 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -83.3 | 95.1 | 172.8 | -145.4 | 156.4 | -172.8 | 0 | 0 | 107.3 | S117 T121 | S117-M119 PolarHBondContact O-N 3.09Å; M119-T121 PolarHBondContact O-N 3.29Å | ||
| 120 | A | 36.8 | Very low | 37.2 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -48.1 | 100.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E118 | E118-A120 PolarHBondContact O-N 2.98Å; E118-A120 VanDerWaalsContact O-N 3.15Å | ||
| 121 | T | 38.4 | Very low | 37 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 122.7 | 166 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | M119 | M119-T121 PolarHBondContact O-N 3.29Š|
| 122 | P | 36.2 | Very low | 37 | Very low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 141.8 | 172.9 | 25.2 | -31.6 | 0 | 0 | 0 | 109.9 | I124 | P122-I124 PolarHBondContact O-N 3.42Å; P122-I124 VanDerWaalsContact O-N 3.13Å |
| 123 | P | 42.2 | Very low | 36.8 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.6 | -177.6 | 25.5 | -32.6 | 0 | 0 | 0 | 109.7 | E125 | P123-E125 PolarHBondContact O-N 2.87Š|
| 124 | I | 39.4 | Very low | 36.4 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -76.3 | 105.7 | 170.4 | -61.4 | 171.2 | 0 | 0 | 0 | 106.2 | P122 T126 | P122-I124 PolarHBondContact O-N 3.42Å; P122-I124 VanDerWaalsContact O-N 3.13Å; I124-T126 VanDerWaalsContact C-N 3.32Å; I124-T126 HydrophobicContact CG2-CG2 4.36Å; I124-T126 PolarHBondContact O-N 2.83Å | ||
| 125 | E | 35.8 | Very low | 36.2 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -58.4 | 97.6 | 166.8 | -70.6 | -170 | 166.9 | 0 | 0 | 108.8 | P123 S127 | P123-E125 PolarHBondContact O-N 2.87Å; E125-S127 PolarHBondContact O-N 2.72Å | ||
| 126 | T | 38.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -88.4 | 91.3 | 170 | 27 | 0 | 0 | 0 | 0 | 106.8 | I124 S128 | I124-T126 VanDerWaalsContact C-N 3.32Å; I124-T126 HydrophobicContact CG2-CG2 4.36Å; I124-T126 PolarHBondContact O-N 2.83Å; T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 2.95Å | ||
| 127 | S | 36.4 | Very low | 36.4 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 91.6 | 163.4 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | E125 E129 | E125-S127 PolarHBondContact O-N 2.72Å; S127-E129 PolarHBondContact O-N 3.06Å | ||
| 128 | S | 37.8 | Very low | 36.3 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 91.9 | 165.7 | 164.5 | 0 | 0 | 0 | 0 | 109.1 | T126 | T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 2.95Å | ||
| 129 | E | 40.3 | Very low | 35.9 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -117 | 65.2 | 163.3 | -159.4 | 173.8 | -178.9 | 0 | 0 | 109.5 | S127 | S127-E129 PolarHBondContact O-N 3.06Š| ||
| 130 | M | 39.7 | Very low | 35.6 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -112.7 | 65.3 | 159.1 | -71.6 | -76.8 | -72.3 | 0 | 0 | 106.7 | S132 | M130-S132 PolarHBondContact O-N 3.17Š| ||
| 131 | G | 34.4 | Very low | 35.5 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 96.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 132 | S | 32.6 | Very low | 35.2 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -62.4 | 157.4 | 167.1 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | M130 | M130-S132 PolarHBondContact O-N 3.17Š| ||
| 133 | D | 30.4 | Very low | 35.2 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | 98.5 | 98.8 | 151.5 | -54 | -26.6 | 0 | 0 | 0 | 119.8 | ||||
| 134 | S | 32.4 | Very low | 34.8 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | 73.1 | 108.5 | 123.3 | 80.5 | 0 | 0 | 0 | 0 | 118.7 | T136 | S134-T136 PolarHBondContact O-N 3.15Š| |||
| 135 | T | 34.2 | Very low | 34.7 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | 17.9 | 91.6 | 133.9 | 44.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 136 | T | 34 | Very low | 34.7 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -129.1 | 107.8 | 152.2 | -20.9 | 0 | 0 | 0 | 0 | 108.5 | S134 S138 | S134-T136 PolarHBondContact O-N 3.15Å; T136-S138 PolarHBondContact O-N 2.91Å; T136-S138 VanDerWaalsContact O-N 3.09Å | ||
| 137 | L | 33.6 | Very low | 34.6 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -57.6 | 107.3 | 167 | -68.2 | 161.5 | 0 | 0 | 0 | 107.6 | ||||
| 138 | S | 31.2 | Very low | 34.5 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -136.5 | 140.6 | 165.6 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | T136 | T136-S138 PolarHBondContact O-N 2.91Å; T136-S138 VanDerWaalsContact O-N 3.09Å | ||
| 139 | S | 30.2 | Very low | 34.2 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -70.5 | 143.5 | -160.2 | 52.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 140 | V | 33.4 | Very low | 34 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 57.4 | 86.9 | 135.5 | -172.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 141 | F | 33.7 | Very low | 33.7 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -127.7 | 92.7 | 143.1 | -98.7 | -80.6 | 0 | 0 | 0 | 110.7 | R143 | F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 3.32Å | ||
| 142 | R | 32.5 | Very low | 33.9 | Very low | 229 Ų | 229 | 148.1 Ų | 148.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -69.3 | 77.7 | 176.3 | -161.3 | -173.9 | -156.5 | -177.9 | 7.2 | 110.1 | ||||
| 143 | R | 35.5 | Very low | 34.3 | Very low | 216 Ų | 216 | 152.8 Ų | 152.8 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -91.2 | 108.9 | 168.3 | -68.2 | -171.7 | -163.2 | 167.7 | 7 | 109.4 | F141 S145 | F141-R143 VanDerWaalsContact C-N 3.33Å; F141-R143 PolarHBondContact O-N 3.32Å; R143-S145 PolarHBondContact O-N 3.07Å | ||
| 144 | K | 34.8 | Very low | 34.3 | Very low | 190 Ų | 190 | 156.9 Ų | 156.9 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -59.5 | 96.6 | 175 | -67.1 | 176.2 | 177.8 | 176.6 | 0 | 109.5 | I146 | K144-I146 PolarHBondContact O-N 3.22Å; K144-I146 VanDerWaalsContact O-N 3.09Å | ||
| 145 | S | 38.3 | Very low | 34.5 | Very low | 105 Ų | 105 | 161.9 Ų | 161.9 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 98.3 | 169.2 | 55.7 | 0 | 0 | 0 | 0 | 108.8 | R143 K147 | R143-S145 PolarHBondContact O-N 3.07Å; S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 VanDerWaalsContact O-N 3.15Å | ||
| 146 | I | 34.9 | Very low | 34.6 | Very low | 149 Ų | 149 | 161.2 Ų | 161.2 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -63.8 | 111 | 170.8 | -65.7 | 168.7 | 0 | 0 | 0 | 107.2 | K144 L148 | K144-I146 PolarHBondContact O-N 3.22Å; K144-I146 VanDerWaalsContact O-N 3.09Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 HydrophobicContact CG2-CD1 4.27Å; I146-L148 PolarHBondContact O-N 3.42Å | ||
| 147 | K | 37.2 | Very low | 34.4 | Very low | 198 Ų | 198 | 162.8 Ų | 162.8 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 84.3 | 176.4 | -70 | -179.7 | 177.5 | 177.6 | 0 | 109.7 | S145 G149 | S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 VanDerWaalsContact O-N 3.15Å; K147-G149 VanDerWaalsContact C-N 3.29Å; K147-G149 PolarHBondContact O-N 3.23Å; K147-G149 VanDerWaalsContact O-N 3.13Å | ||
| 148 | L | 33.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 159.8 Ų | 159.8 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -82.4 | 82.2 | 164.3 | -129.9 | 80.6 | 0 | 0 | 0 | 108.8 | I146 I150 | I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 HydrophobicContact CG2-CD1 4.27Å; I146-L148 PolarHBondContact O-N 3.42Å; L148-I150 HydrophobicContact CD2-CD1 4.29Å; L148-I150 PolarHBondContact O-N 3.35Å | ||
| 149 | G | 30.6 | Very low | 34.5 | Very low | 75 Ų | 75 | 161.5 Ų | 161.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 88.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K147 | K147-G149 VanDerWaalsContact C-N 3.29Å; K147-G149 PolarHBondContact O-N 3.23Å; K147-G149 VanDerWaalsContact O-N 3.13Å | ||
| 150 | I | 35.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 163.1 Ų | 163.1 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -121.3 | 67 | 163.2 | -45.5 | 178.3 | 0 | 0 | 0 | 107.6 | L148 K152 | L148-I150 HydrophobicContact CD2-CD1 4.29Å; L148-I150 PolarHBondContact O-N 3.35Å; I150-K152 HydrophobicContact CG2-CG 4.14Å; I150-K152 PolarHBondContact O-N 3.32Å | ||
| 151 | F | 35.5 | Very low | 34.5 | Very low | 205 Ų | 205 | 165 Ų | 165 | 90% | 0.899 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 80.3 | 167.8 | -139.7 | -95.8 | 0 | 0 | 0 | 107.5 | K153 | F151-K153 PolarHBondContact O-N 2.98Š| ||
| 152 | K | 37 | Very low | 34.4 | Very low | 181 Ų | 181 | 159.8 Ų | 159.8 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | trans | -57 | 104 | 169.5 | -90.9 | 179.2 | 178.1 | 178.8 | 0 | 107.2 | I150 R154 | I150-K152 HydrophobicContact CG2-CG 4.14Å; I150-K152 PolarHBondContact O-N 3.32Å; K152-R154 PolarHBondContact O-N 2.92Å | ||
| 153 | K | 40.6 | Very low | 34.5 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -51 | 99.4 | 173 | -70.3 | -178.2 | 176.9 | 179.8 | 0 | 108.7 | F151 K155 | F151-K153 PolarHBondContact O-N 2.98Å; K153-K155 PolarHBondContact O-N 2.91Å | ||
| 154 | R | 32.1 | Very low | 34.7 | Very low | 232 Ų | 232 | 153.1 Ų | 153.1 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -65 | 104.3 | 166.7 | -70.9 | -176.3 | -175.7 | -176.1 | 1.1 | 106 | K152 T156 | K152-R154 PolarHBondContact O-N 2.92Å; R154-T156 VanDerWaalsContact C-N 3.31Å; R154-T156 PolarHBondContact O-N 3.29Å | ||
| 155 | K | 36.7 | Very low | 34.7 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -68.7 | 95.5 | 167.1 | -73.4 | -178.3 | 177.8 | 178.7 | 0 | 106.2 | K153 I157 | K153-K155 PolarHBondContact O-N 2.91Å; K155-I157 PolarHBondContact O-N 3.42Å | ||
| 156 | T | 35.2 | Very low | 34.9 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -61.2 | 107.9 | 168.9 | -13.5 | 0 | 0 | 0 | 0 | 106.7 | R154 V158 | R154-T156 VanDerWaalsContact C-N 3.31Å; R154-T156 PolarHBondContact O-N 3.29Å; T156-V158 VanDerWaalsContact C-N 3.31Å; T156-V158 PolarHBondContact O-N 3.4Å | ||
| 157 | I | 30.1 | Very low | 35.6 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 96.7 | 173.3 | -62.3 | 169.2 | 0 | 0 | 0 | 105.1 | K155 Q159 | K155-I157 PolarHBondContact O-N 3.42Å; I157-Q159 PolarHBondContact O-N 2.94Å; I157-Q159 VanDerWaalsContact O-N 3.08Å | ||
| 158 | V | 36.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -65.1 | 109.7 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 106.3 | T156 T160 | T156-V158 VanDerWaalsContact C-N 3.31Å; T156-V158 PolarHBondContact O-N 3.4Å; V158-T160 PolarHBondContact O-N 3.03Å | ||
| 159 | Q | 29.4 | Very low | 37.2 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -53.1 | 106.5 | 175.2 | -158.4 | 168.3 | 23.7 | 0 | 0 | 108.3 | I157 H161 | I157-Q159 PolarHBondContact O-N 2.94Å; I157-Q159 VanDerWaalsContact O-N 3.08Å; Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.24Å | ||
| 160 | T | 32.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 142 Ų | 142 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | -70.5 | 88.3 | 178 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | V158 A162 | V158-T160 PolarHBondContact O-N 3.03Å; T160-A162 PolarHBondContact O-N 3.46Å; T160-A162 VanDerWaalsContact O-N 3.07Å | ||
| 161 | H | 31.3 | Very low | 39.2 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -64.5 | 110.6 | 166.7 | -78 | -75.1 | 0 | 0 | 0 | 108.8 | Q159 | Q159-H161 VanDerWaalsContact C-N 3.3Å; Q159-H161 PolarHBondContact O-N 3.24Å | ||
| 162 | A | 30.7 | Very low | 40.2 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | 16.8 | 119.9 | 155 | 0 | 0 | 0 | 0 | 0 | 116.7 | T160 K164 | T160-A162 PolarHBondContact O-N 3.46Å; T160-A162 VanDerWaalsContact O-N 3.07Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 2.98Å | ||
| 163 | A | 34.8 | Very low | 41.2 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 93% | 0.926 | 67% | 0.667 | S | S | * | * | trans | -39.6 | 86.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I165 | A163-I165 PolarHBondContact O-N 3.3Š| ||
| 164 | K | 39.5 | Very low | 42 | Very low | 193 Ų | 193 | 125.4 Ų | 125.4 | 84% | 0.839 | 66% | 0.662 | S | S | * | * | trans | -91 | 101.9 | 166.8 | -74.4 | 179.9 | -178.9 | -178.3 | 0 | 106.4 | A162 E166 | A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 2.98Å; K164-E166 PolarHBondContact O-N 3.27Å | ||
| 165 | I | 36.1 | Very low | 43.2 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 79% | 0.79 | 65% | 0.648 | S | S | * | * | trans | 5.7 | 108.5 | 157.2 | -59.2 | 165.6 | 0 | 0 | 0 | 111.9 | A163 K167 | A163-I165 PolarHBondContact O-N 3.3Å; I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 2.97Å | ||
| 166 | E | 42.1 | Very low | 44.4 | Very low | 148 Ų | 148 | 116.3 Ų | 116.3 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | trans | -56.3 | 89.5 | 178.4 | -70.9 | 177 | -172.4 | 0 | 0 | 109.7 | K164 K196 | K164-E166 PolarHBondContact O-N 3.27Å; E166-K196 IonicContact OE1-NZ 3.49Å; E166-K196 PolarHBondContact OE1-NZ 2.9Å | ||
| 167 | K | 48.5 | Very low | 45.5 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 45% | 0.448 | 63% | 0.627 | S | S | . | * | trans | -63.8 | 134.1 | 171.7 | -70.8 | -174.6 | -179.1 | -177.5 | 0 | 108.4 | I165 E171 L172 E175 | I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 2.97Å; K167-E171 HydrophobicContact CB-CB 4.36Å; K167-E171 WeakPolarHBondContact CD-OE2 3.39Å; K167-E171 WeakPolarHBondContact CG-OE2 3.47Å; K167-L172 HydrophobicContact CB-CD1 4.36Å; K167-E175 IonicContact NZ-OE2 2.78Å; K167-E175 PolarHBondContact NZ-OE2 3.09Å | ||
| 168 | P | 51.4 | Low | 46.8 | Very low | 81 Ų | 81 | 111.9 Ų | 111.9 | 53% | 0.526 | 60% | 0.601 | S | S | . | * | trans | -59.6 | 145.6 | 178.2 | 24.8 | -32.5 | 0 | 0 | 0 | 110.2 | G170 E171 | P168-G170 PolarHBondContact O-N 3.3Å; P168-E171 HydrophobicContact CG-CG 4.18Å; P168-E171 PolarHBondContact O-N 3.43Å | ||
| 169 | L | 54.4 | Low | 47.9 | Very low | 89 Ų | 89 | 110.9 Ų | 110.9 | 47% | 0.466 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -49.3 | -28.4 | -174.8 | -114.8 | 98.5 | 0 | 0 | 0 | 114.6 | A173 V186 V199 | L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.41Å; L169-A173 PolarHBondContact O-N 2.95Å; L169-V186 HydrophobicContact CD2-CG1 3.95Å; L169-V199 HydrophobicContact CD1-CG1 4.46Å; L169-V199 HydrophobicContact CD1-CG2 3.79Å |
| 170 | G | 50.4 | Low | 49.4 | Very low | 49 Ų | 49 | 109.5 Ų | 109.5 | 51% | 0.505 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.8 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P168 A173 Q174 | P168-G170 PolarHBondContact O-N 3.3Å; G170-A173 PolarHBondContact O-N 2.98Å; G170-Q174 PolarHBondContact O-N 2.87Å |
| 171 | E | 57.8 | Low | 50.5 | Low | 92 Ų | 92 | 107 Ų | 107 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.2 | -43.6 | 179.2 | -71.3 | 177.5 | -164.2 | 0 | 0 | 111.3 | K167 P168 A173 Q174 E175 | K167-E171 HydrophobicContact CB-CB 4.36Å; K167-E171 WeakPolarHBondContact CD-OE2 3.39Å; K167-E171 WeakPolarHBondContact CG-OE2 3.47Å; P168-E171 HydrophobicContact CG-CG 4.18Å; P168-E171 PolarHBondContact O-N 3.43Å; E171-A173 PolarHBondContact O-N 3.46Å; E171-Q174 PolarHBondContact O-N 3.25Å; E171-E175 WeakPolarHBondContact O-CB 3.48Å; E171-E175 PolarHBondContact O-N 3.21Å |
| 172 | L | 57.2 | Low | 51.8 | Low | 80 Ų | 80 | 101.8 Ų | 101.8 | 42% | 0.419 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.2 | -34 | 173.9 | -85.7 | 144.4 | 0 | 0 | 0 | 112.1 | K167 K176 | K167-L172 HydrophobicContact CB-CD1 4.36Å; L172-K176 WeakPolarHBondContact O-CB 3.24Å; L172-K176 PolarHBondContact O-N 3.25Å; L172-K176 VanDerWaalsContact O-N 3.11Å |
| 173 | A | 57.3 | Low | 53 | Low | 23 Ų | 23 | 101.1 Ų | 101.1 | 19% | 0.19 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -66 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L169 G170 E171 N177 F178 V183 | L169-A173 VanDerWaalsContact O-CB 3.29Å; L169-A173 WeakPolarHBondContact O-CB 3.41Å; L169-A173 PolarHBondContact O-N 2.95Å; G170-A173 PolarHBondContact O-N 2.98Å; E171-A173 PolarHBondContact O-N 3.46Å; A173-N177 PolarHBondContact O-N 3.46Å; A173-N177 VanDerWaalsContact O-N 3.15Å; A173-F178 PolarHBondContact O-N 3.35Å; A173-V183 HydrophobicContact CB-CG2 4.16Å |
| 174 | Q | 58.5 | Low | 54.1 | Low | 156 Ų | 156 | 105.3 Ų | 105.3 | 73% | 0.729 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.5 | -46.3 | 175.6 | -72.3 | -177.8 | -8.9 | 0 | 0 | 111.6 | G170 E171 K176 N177 | G170-Q174 PolarHBondContact O-N 2.87Å; E171-Q174 PolarHBondContact O-N 3.25Å; Q174-K176 PolarHBondContact O-N 3.05Å; Q174-N177 PolarHBondContact O-N 3.2Å; Q174-N177 VanDerWaalsContact O-N 3.15Å |
| 175 | E | 56.8 | Low | 54.7 | Low | 123 Ų | 123 | 101.5 Ų | 101.5 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61 | -31.8 | -178.6 | -166.9 | 173.7 | 173.1 | 0 | 0 | 112.2 | K167 E171 | K167-E175 IonicContact NZ-OE2 2.78Å; K167-E175 PolarHBondContact NZ-OE2 3.09Å; E171-E175 WeakPolarHBondContact O-CB 3.48Å; E171-E175 PolarHBondContact O-N 3.21Å |
| 176 | K | 60.8 | Low | 55.7 | Low | 114 Ų | 114 | 95.3 Ų | 95.3 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.7 | 179.8 | -64.2 | -64.8 | -175 | 179 | 0 | 114.6 | L172 Q174 F178 | L172-K176 WeakPolarHBondContact O-CB 3.24Å; L172-K176 PolarHBondContact O-N 3.25Å; L172-K176 VanDerWaalsContact O-N 3.11Å; Q174-K176 PolarHBondContact O-N 3.05Å; K176-F178 VanDerWaalsContact C-N 3.27Å; K176-F178 HydrophobicContact CB-CD2 3.55Å; K176-F178 HydrophobicContact CB-CE2 3.3Å; K176-F178 HydrophobicContact CB-CG 4.39Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 HydrophobicContact CG-CD2 4.5Å; K176-F178 HydrophobicContact CG-CE2 3.87Å; K176-F178 HydrophobicContact CG-CZ 4.47Å; K176-F178 PolarHBondContact O-N 3.34Å |
| 177 | N | 58.2 | Low | 55.9 | Low | 128 Ų | 128 | 93 Ų | 93 | 68% | 0.684 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 46.3 | -178.1 | -70.9 | -50.7 | 0 | 0 | 0 | 112.9 | A173 Q174 | A173-N177 PolarHBondContact O-N 3.46Å; A173-N177 VanDerWaalsContact O-N 3.15Å; Q174-N177 PolarHBondContact O-N 3.2Å; Q174-N177 VanDerWaalsContact O-N 3.15Å |
| 178 | F | 58.5 | Low | 55.8 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 27% | 0.272 | 50% | 0.497 | S | S | . | . | trans | -71.5 | 130.6 | 177.5 | -76.9 | -64.6 | 0 | 0 | 0 | 110.3 | A173 K176 Q182 V183 L205 | A173-F178 PolarHBondContact O-N 3.35Å; K176-F178 VanDerWaalsContact C-N 3.27Å; K176-F178 HydrophobicContact CB-CD2 3.55Å; K176-F178 HydrophobicContact CB-CE2 3.3Å; K176-F178 HydrophobicContact CB-CG 4.39Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 HydrophobicContact CG-CD2 4.5Å; K176-F178 HydrophobicContact CG-CE2 3.87Å; K176-F178 HydrophobicContact CG-CZ 4.47Å; K176-F178 PolarHBondContact O-N 3.34Å; F178-Q182 HydrophobicContact CB-CB 4.41Å; F178-Q182 HydrophobicContact CD1-CB 4.14Å; F178-V183 HydrophobicContact CB-CG2 4.06Å; F178-L205 HydrophobicContact CD1-CD1 4.23Å; F178-L205 HydrophobicContact CD1-CD2 4.37Å; F178-L205 HydrophobicContact CE1-CB 3.93Å; F178-L205 HydrophobicContact CE1-CD1 3.83Å; F178-L205 HydrophobicContact CE1-CD2 3.96Å; F178-L205 HydrophobicContact CE1-CG 4.12Å; F178-L205 HydrophobicContact CZ-CB 4.35Å | ||
| 179 | N | 60.2 | Low | 55.5 | Low | 99 Ų | 99 | 95.4 Ų | 95.4 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | trans | -66.9 | 149.2 | 174.3 | -168.5 | -16.8 | 0 | 0 | 0 | 109.6 | T181 Q182 V183 | N179-T181 PolarHBondContact O-N 3.44Å; N179-Q182 VanDerWaalsContact N-OE1 3.16Å; N179-Q182 WeakPolarHBondContact O-CA 3.47Å; N179-Q182 WeakPolarHBondContact O-CB 3.4Å; N179-Q182 PolarHBondContact O-N 3.47Å; N179-V183 PolarHBondContact O-N 3.05Å; N179-V183 VanDerWaalsContact O-N 3.13Å | ||
| 180 | I | 60.1 | Low | 54.9 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -51.3 | -35.3 | -178.5 | -63.8 | 169 | 0 | 0 | 0 | 111.6 | V183 R184 | I180-V183 PolarHBondContact O-N 3.24Å; I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.46Å; I180-R184 VanDerWaalsContact O-N 3.13Å |
| 181 | T | 56.6 | Low | 54.5 | Low | 82 Ų | 82 | 102.6 Ų | 102.6 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 174.6 | 38.4 | 0 | 0 | 0 | 0 | 113.3 | N179 R184 L185 | N179-T181 PolarHBondContact O-N 3.44Å; T181-R184 PolarHBondContact O-N 2.94Å; T181-L185 PolarHBondContact O-N 3.42Å |
| 182 | Q | 57 | Low | 53.8 | Low | 51 Ų | 51 | 108.3 Ų | 108.3 | 24% | 0.238 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -70.5 | -37.2 | 176.5 | -66.8 | 173.8 | -32.8 | 0 | 0 | 111.5 | F178 N179 R184 L185 V186 L205 | F178-Q182 HydrophobicContact CB-CB 4.41Å; F178-Q182 HydrophobicContact CD1-CB 4.14Å; N179-Q182 VanDerWaalsContact N-OE1 3.16Å; N179-Q182 WeakPolarHBondContact O-CA 3.47Å; N179-Q182 WeakPolarHBondContact O-CB 3.4Å; N179-Q182 PolarHBondContact O-N 3.47Å; Q182-R184 VanDerWaalsContact C-N 3.28Å; Q182-R184 PolarHBondContact O-N 3.35Å; Q182-L185 PolarHBondContact O-N 3.38Å; Q182-V186 PolarHBondContact O-N 2.98Å; Q182-L205 HydrophobicContact CB-CD1 4.32Å; Q182-L205 HydrophobicContact CB-CD2 4.45Å; Q182-L205 HydrophobicContact CG-CD2 4.06Å |
| 183 | V | 57.1 | Low | 53.4 | Low | 64 Ų | 64 | 109 Ų | 109 | 39% | 0.388 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | A173 F178 N179 I180 L185 V186 | A173-V183 HydrophobicContact CB-CG2 4.16Å; F178-V183 HydrophobicContact CB-CG2 4.06Å; N179-V183 PolarHBondContact O-N 3.05Å; N179-V183 VanDerWaalsContact O-N 3.13Å; I180-V183 PolarHBondContact O-N 3.24Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-V186 WeakPolarHBondContact O-CB 3.38Å; V183-V186 PolarHBondContact O-N 2.85Å |
| 184 | R | 57.7 | Low | 53 | Low | 199 Ų | 199 | 115.2 Ų | 115.2 | 75% | 0.751 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.2 | -31 | 175.6 | -74.2 | -179.5 | -174.4 | 176.5 | 3.4 | 113.4 | I180 T181 Q182 V186 | I180-R184 WeakPolarHBondContact O-CG 3.44Å; I180-R184 PolarHBondContact O-N 3.46Å; I180-R184 VanDerWaalsContact O-N 3.13Å; T181-R184 PolarHBondContact O-N 2.94Å; Q182-R184 VanDerWaalsContact C-N 3.28Å; Q182-R184 PolarHBondContact O-N 3.35Å; R184-V186 PolarHBondContact O-N 3.44Å |
| 185 | L | 53.1 | Low | 52.4 | Low | 113 Ų | 113 | 111.4 Ų | 111.4 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.2 | -15 | 177.4 | -81.5 | 163.1 | 0 | 0 | 0 | 113.2 | T181 Q182 V183 T187 | T181-L185 PolarHBondContact O-N 3.42Å; Q182-L185 PolarHBondContact O-N 3.38Å; V183-L185 VanDerWaalsContact C-N 3.35Å; L185-T187 PolarHBondContact O-N 2.91Å; L185-T187 PolarHBondContact O-OG1 3.15Å |
| 186 | V | 55.8 | Low | 51.9 | Low | 25 Ų | 25 | 111.6 Ų | 111.6 | 15% | 0.152 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -71.1 | 76.1 | 167.7 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | L169 Q182 V183 R184 K188 V199 | L169-V186 HydrophobicContact CD2-CG1 3.95Å; Q182-V186 PolarHBondContact O-N 2.98Å; V183-V186 WeakPolarHBondContact O-CB 3.38Å; V183-V186 PolarHBondContact O-N 2.85Å; R184-V186 PolarHBondContact O-N 3.44Å; V186-K188 PolarHBondContact O-N 2.93Å; V186-V199 HydrophobicContact CG1-CB 4.09Å; V186-V199 HydrophobicContact CG1-CG1 3.27Å; V186-V199 HydrophobicContact CG1-CG2 3.94Å |
| 187 | T | 47.6 | Very low | 51.2 | Low | 100 Ų | 100 | 110.6 Ų | 110.6 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | trans | -63.8 | 116 | 173.3 | 6.5 | 0 | 0 | 0 | 0 | 109 | L185 I189 | L185-T187 PolarHBondContact O-N 2.91Å; L185-T187 PolarHBondContact O-OG1 3.15Å; T187-I189 VanDerWaalsContact C-N 3.31Å; T187-I189 PolarHBondContact O-N 3.21Å | ||
| 188 | K | 45.9 | Very low | 50.7 | Low | 174 Ų | 174 | 108.3 Ų | 108.3 | 76% | 0.757 | 56% | 0.563 | S | S | * | * | B | Isolated β-bridge | trans | -62.5 | 92 | 167.6 | -66.4 | -178.2 | -179.6 | -178.2 | 0 | 108.5 | V186 K190 | V186-K188 PolarHBondContact O-N 2.93Å; K188-K190 PolarHBondContact O-N 3.13Å; K188-K190 VanDerWaalsContact O-N 3.15Å |
| 189 | I | 43.7 | Very low | 50.5 | Low | 59 Ų | 59 | 107.4 Ų | 107.4 | 30% | 0.303 | 56% | 0.562 | S | S | . | * | trans | -71.4 | 110.6 | 170 | -60.6 | 176.7 | 0 | 0 | 0 | 106.3 | T187 N191 K200 | T187-I189 VanDerWaalsContact C-N 3.31Å; T187-I189 PolarHBondContact O-N 3.21Å; I189-N191 PolarHBondContact O-N 3.08Å; I189-K200 HydrophobicContact CD1-CB 4.45Å; I189-K200 HydrophobicContact CD1-CD 3.63Å; I189-K200 HydrophobicContact CD1-CG 4.01Å | ||
| 190 | K | 42 | Very low | 50 | Low | 199 Ų | 199 | 109.2 Ų | 109.2 | 87% | 0.865 | 57% | 0.565 | S | S | * | * | trans | -68.8 | 72.3 | 170.5 | -74.8 | -178.5 | 177.3 | 176.2 | 0 | 109.3 | K188 | K188-K190 PolarHBondContact O-N 3.13Å; K188-K190 VanDerWaalsContact O-N 3.15Å | ||
| 191 | N | 41.6 | Very low | 49.8 | Very low | 90 Ų | 90 | 106.2 Ų | 106.2 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | trans | -79.2 | 121.2 | 163.8 | -90.8 | -6.6 | 0 | 0 | 0 | 108.4 | I189 T193 | I189-N191 PolarHBondContact O-N 3.08Å; N191-T193 PolarHBondContact O-N 2.81Å; N191-T193 VanDerWaalsContact O-N 3.09Å | ||
| 192 | K | 45.1 | Very low | 49.8 | Very low | 212 Ų | 212 | 104.3 Ų | 104.3 | 92% | 0.922 | 54% | 0.542 | S | S | * | . | trans | -81.1 | 43.1 | 176.5 | -71.1 | -166.6 | 174.7 | -173.7 | 0 | 112 | ||||
| 193 | T | 47.3 | Very low | 50 | Low | 96 Ų | 96 | 108 Ų | 108 | 59% | 0.589 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -113.6 | 102.2 | 170.3 | 28.8 | 0 | 0 | 0 | 0 | 106.8 | N191 G195 | N191-T193 PolarHBondContact O-N 2.81Å; N191-T193 VanDerWaalsContact O-N 3.09Å; T193-G195 PolarHBondContact O-N 2.86Å |
| 194 | D | 49.5 | Very low | 50.1 | Low | 152 Ų | 152 | 112.4 Ų | 112.4 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.2 | 45.3 | 168.1 | -50.6 | -33.5 | 0 | 0 | 0 | 117.1 | K196 | D194-K196 PolarHBondContact O-N 3.45Š|
| 195 | G | 46.6 | Very low | 50 | Low | 77 Ų | 77 | 104.8 Ų | 104.8 | 79% | 0.794 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.7 | -5.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | T193 P197 | T193-G195 PolarHBondContact O-N 2.86Å; G195-P197 WeakPolarHBondContact O-CD 3.42Å |
| 196 | K | 45.4 | Very low | 50.2 | Low | 127 Ų | 127 | 104.8 Ų | 104.8 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | trans | -97.3 | 113 | 178.8 | -65.5 | -168.1 | 176.4 | -155.1 | 0 | 109.7 | E166 D194 V198 | E166-K196 IonicContact OE1-NZ 3.49Å; E166-K196 PolarHBondContact OE1-NZ 2.9Å; D194-K196 PolarHBondContact O-N 3.45Å; K196-V198 PolarHBondContact O-N 3.36Å | ||
| 197 | P | 46.9 | Very low | 50.1 | Low | 93 Ų | 93 | 109.3 Ų | 109.3 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | trans | -63.5 | 107.5 | 176.1 | 25.5 | -31.4 | 0 | 0 | 0 | 109.1 | G195 V199 | G195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-V199 PolarHBondContact O-N 3Å | ||
| 198 | V | 47.7 | Very low | 50.3 | Low | 79 Ų | 79 | 108 Ų | 108 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | trans | -72.1 | 102 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | K196 K200 | K196-V198 PolarHBondContact O-N 3.36Å; V198-K200 PolarHBondContact O-N 3.37Å | ||
| 199 | V | 53.5 | Low | 50.5 | Low | 43 Ų | 43 | 107 Ų | 107 | 26% | 0.261 | 55% | 0.553 | S | S | . | * | B | Isolated β-bridge | trans | -77.6 | 102.5 | 173.2 | 158 | 0 | 0 | 0 | 0 | 107.4 | L169 V186 P197 V201 | L169-V199 HydrophobicContact CD1-CG1 4.46Å; L169-V199 HydrophobicContact CD1-CG2 3.79Å; V186-V199 HydrophobicContact CG1-CB 4.09Å; V186-V199 HydrophobicContact CG1-CG1 3.27Å; V186-V199 HydrophobicContact CG1-CG2 3.94Å; P197-V199 PolarHBondContact O-N 3Å; V199-V201 HydrophobicContact CG1-CG2 4Å; V199-V201 PolarHBondContact O-N 3.46Å |
| 200 | K | 49.4 | Very low | 50.9 | Low | 137 Ų | 137 | 108.3 Ų | 108.3 | 60% | 0.596 | 56% | 0.56 | S | S | * | * | trans | -73.8 | 106.7 | 168.4 | -74 | -167.9 | -175.4 | -180 | 0 | 107.9 | I189 V198 | I189-K200 HydrophobicContact CD1-CB 4.45Å; I189-K200 HydrophobicContact CD1-CD 3.63Å; I189-K200 HydrophobicContact CD1-CG 4.01Å; V198-K200 PolarHBondContact O-N 3.37Å | ||
| 201 | V | 57.2 | Low | 51.3 | Low | 58 Ų | 58 | 103.1 Ų | 103.1 | 35% | 0.352 | 54% | 0.544 | S | S | . | . | trans | -78.1 | 122.7 | 167 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | V199 L205 L206 | V199-V201 HydrophobicContact CG1-CG2 4Å; V199-V201 PolarHBondContact O-N 3.46Å; V201-L205 HydrophobicContact CG1-CB 3.82Å; V201-L205 HydrophobicContact CG1-CD1 4.37Å; V201-L206 HydrophobicContact CG1-CD2 4.16Å; V201-L206 HydrophobicContact CG1-CG 4.12Å | ||
| 202 | P | 56.4 | Low | 51.8 | Low | 43 Ų | 43 | 107.7 Ų | 107.7 | 28% | 0.279 | 56% | 0.555 | S | S | . | * | trans | -55.6 | 139.4 | 173.7 | -23.3 | 32 | 0 | 0 | 0 | 111.3 | E204 L205 L206 | P202-E204 PolarHBondContact O-N 3.19Å; P202-E204 VanDerWaalsContact O-N 3.08Å; P202-L205 HydrophobicContact CG-CD1 4.44Å; P202-L205 WeakPolarHBondContact O-CB 3.47Å; P202-L205 PolarHBondContact O-N 3.42Å; P202-L206 PolarHBondContact O-N 2.97Å | ||
| 203 | D | 60.9 | Low | 52.2 | Low | 129 Ų | 129 | 102.4 Ų | 102.4 | 69% | 0.69 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.6 | -28.4 | -179.2 | -67.3 | -25.5 | 0 | 0 | 0 | 112.5 | L205 L206 Q207 | D203-L205 PolarHBondContact O-N 3.01Å; D203-L206 CarbonylContact O-C 3.56Å; D203-L206 WeakPolarHBondContact O-CB 3.39Å; D203-L206 PolarHBondContact O-N 3.01Å; D203-Q207 PolarHBondContact O-N 2.85Å |
| 204 | E | 58.5 | Low | 52.5 | Low | 156 Ų | 156 | 105 Ų | 105 | 73% | 0.729 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.1 | -30.7 | 174.3 | -63.4 | 170.4 | -175.4 | 0 | 0 | 113.2 | P202 | P202-E204 PolarHBondContact O-N 3.19Å; P202-E204 VanDerWaalsContact O-N 3.08Å |
| 205 | L | 56.7 | Low | 52.9 | Low | 39 Ų | 39 | 102 Ų | 102 | 20% | 0.204 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -86.6 | -20 | 175.6 | -59 | -174.8 | 0 | 0 | 0 | 112.3 | F178 Q182 V201 P202 D203 Q207 | F178-L205 HydrophobicContact CD1-CD1 4.23Å; F178-L205 HydrophobicContact CD1-CD2 4.37Å; F178-L205 HydrophobicContact CE1-CB 3.93Å; F178-L205 HydrophobicContact CE1-CD1 3.83Å; F178-L205 HydrophobicContact CE1-CD2 3.96Å; F178-L205 HydrophobicContact CE1-CG 4.12Å; F178-L205 HydrophobicContact CZ-CB 4.35Å; Q182-L205 HydrophobicContact CB-CD1 4.32Å; Q182-L205 HydrophobicContact CB-CD2 4.45Å; Q182-L205 HydrophobicContact CG-CD2 4.06Å; V201-L205 HydrophobicContact CG1-CB 3.82Å; V201-L205 HydrophobicContact CG1-CD1 4.37Å; P202-L205 HydrophobicContact CG-CD1 4.44Å; P202-L205 WeakPolarHBondContact O-CB 3.47Å; P202-L205 PolarHBondContact O-N 3.42Å; D203-L205 PolarHBondContact O-N 3.01Å; L205-Q207 VanDerWaalsContact C-N 3.3Å |
| 206 | L | 56.9 | Low | 53.5 | Low | 112 Ų | 112 | 100.7 Ų | 100.7 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -80.9 | -12.3 | 171.5 | -65.9 | 175.4 | 0 | 0 | 0 | 112.3 | V201 P202 D203 D208 | V201-L206 HydrophobicContact CG1-CD2 4.16Å; V201-L206 HydrophobicContact CG1-CG 4.12Å; P202-L206 PolarHBondContact O-N 2.97Å; D203-L206 CarbonylContact O-C 3.56Å; D203-L206 WeakPolarHBondContact O-CB 3.39Å; D203-L206 PolarHBondContact O-N 3.01Å; L206-D208 PolarHBondContact O-N 3.39Å |
| 207 | Q | 53.3 | Low | 54.2 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -62.2 | 92.6 | 165.5 | -70.7 | -172.7 | 10.4 | 0 | 0 | 107.9 | D203 L205 R209 | D203-Q207 PolarHBondContact O-N 2.85Å; L205-Q207 VanDerWaalsContact C-N 3.3Å; Q207-R209 PolarHBondContact O-N 2.77Å |
| 208 | D | 51.1 | Low | 55.1 | Low | 73 Ų | 73 | 101.1 Ų | 101.1 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | trans | -51 | 114 | -179 | -157.7 | 5 | 0 | 0 | 0 | 107.3 | L206 M210 V211 | L206-D208 PolarHBondContact O-N 3.39Å; D208-M210 PolarHBondContact O-N 3.4Å; D208-M210 WeakPolarHBondContact OD2-CE 3.38Å; D208-V211 HydrophobicContact CB-CG2 4.25Å; D208-V211 PolarHBondContact O-N 3.29Å | ||
| 209 | R | 51.6 | Low | 56.1 | Low | 151 Ų | 151 | 101.5 Ų | 101.5 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -52.1 | -28.1 | 177.2 | -72.3 | -173.3 | -179 | 177.8 | 5.1 | 110.6 | Q207 V211 R212 D213 | Q207-R209 PolarHBondContact O-N 2.77Å; R209-V211 PolarHBondContact O-N 3.19Å; R209-R212 PolarHBondContact O-N 2.87Å; R209-R212 VanDerWaalsContact O-N 3.1Å; R209-D213 PolarHBondContact O-N 3.13Å |
| 210 | M | 50.7 | Low | 56.9 | Low | 88 Ų | 88 | 105.6 Ų | 105.6 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -52.9 | -34.1 | 171.4 | -61.9 | -142.3 | -55.2 | 0 | 0 | 114 | D208 R214 | D208-M210 PolarHBondContact O-N 3.4Å; D208-M210 WeakPolarHBondContact OD2-CE 3.38Å; M210-R214 WeakPolarHBondContact O-CB 3.28Å; M210-R214 WeakPolarHBondContact O-CD 3.4Å; M210-R214 WeakPolarHBondContact O-CG 3.38Å; M210-R214 PolarHBondContact O-N 2.98Å |
| 211 | V | 51.8 | Low | 57.9 | Low | 90 Ų | 90 | 103 Ų | 103 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.4 | -42.3 | 178.5 | 178 | 0 | 0 | 0 | 0 | 110.7 | D208 R209 V215 | D208-V211 HydrophobicContact CB-CG2 4.25Å; D208-V211 PolarHBondContact O-N 3.29Å; R209-V211 PolarHBondContact O-N 3.19Å; V211-V215 VanDerWaalsContact O-CG2 3.23Å; V211-V215 WeakPolarHBondContact O-CG2 3.47Å; V211-V215 PolarHBondContact O-N 2.97Å |
| 212 | R | 51.7 | Low | 58.8 | Low | 186 Ų | 186 | 103.1 Ų | 103.1 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.4 | -43 | 176.4 | -74.5 | -163.5 | -176 | -172.7 | 3.3 | 111.6 | R209 V215 S216 | R209-R212 PolarHBondContact O-N 2.87Å; R209-R212 VanDerWaalsContact O-N 3.1Å; R212-V215 PolarHBondContact O-N 3.22Å; R212-S216 PolarHBondContact O-N 3.21Å |
| 213 | D | 53.5 | Low | 59.8 | Low | 100 Ų | 100 | 106.2 Ų | 106.2 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69 | -39 | -179.5 | -64.4 | -21.8 | 0 | 0 | 0 | 111.1 | R209 S216 F217 | R209-D213 PolarHBondContact O-N 3.13Å; D213-S216 PolarHBondContact O-N 3.13Å; D213-S216 PolarHBondContact O-OG 3.17Å; D213-F217 WeakPolarHBondContact O-CB 3.19Å; D213-F217 PolarHBondContact O-N 2.74Å |
| 214 | R | 54.3 | Low | 60.8 | Low | 152 Ų | 152 | 104.7 Ų | 104.7 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 174.3 | -76.5 | 172.6 | -173.8 | -168.1 | 1.5 | 112.5 | M210 S216 F217 D218 | M210-R214 WeakPolarHBondContact O-CB 3.28Å; M210-R214 WeakPolarHBondContact O-CD 3.4Å; M210-R214 WeakPolarHBondContact O-CG 3.38Å; M210-R214 PolarHBondContact O-N 2.98Å; R214-S216 PolarHBondContact O-N 3.23Å; R214-F217 PolarHBondContact O-N 3.03Å; R214-F217 VanDerWaalsContact O-N 3.12Å; R214-D218 PolarHBondContact O-N 3.18Å |
| 215 | V | 56.4 | Low | 62.1 | Low | 89 Ų | 89 | 99.1 Ų | 99.1 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -37 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | V211 R212 T219 | V211-V215 VanDerWaalsContact O-CG2 3.23Å; V211-V215 WeakPolarHBondContact O-CG2 3.47Å; V211-V215 PolarHBondContact O-N 2.97Å; R212-V215 PolarHBondContact O-N 3.22Å; V215-T219 WeakPolarHBondContact O-CB 3.39Å; V215-T219 PolarHBondContact O-N 2.85Å; V215-T219 VanDerWaalsContact O-N 3.08Å; V215-T219 PolarHBondContact O-OG1 3.49Å |
| 216 | S | 60.5 | Low | 63.2 | Low | 48 Ų | 48 | 105.1 Ų | 105.1 | 34% | 0.336 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 174.8 | 80 | 0 | 0 | 0 | 0 | 112.9 | R212 D213 R214 T219 Q220 | R212-S216 PolarHBondContact O-N 3.21Å; D213-S216 PolarHBondContact O-N 3.13Å; D213-S216 PolarHBondContact O-OG 3.17Å; R214-S216 PolarHBondContact O-N 3.23Å; S216-T219 WeakPolarHBondContact CA-OG1 3.46Å; S216-T219 PolarHBondContact O-OG1 2.92Å; S216-Q220 WeakPolarHBondContact O-CB 3.46Å; S216-Q220 WeakPolarHBondContact O-CG 3.36Å; S216-Q220 PolarHBondContact O-N 3.14Å |
| 217 | F | 59.1 | Low | 64.4 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -43.7 | 179.2 | -175.2 | -109.3 | 0 | 0 | 0 | 111.7 | D213 R214 T219 Q220 L221 | D213-F217 WeakPolarHBondContact O-CB 3.19Å; D213-F217 PolarHBondContact O-N 2.74Å; R214-F217 PolarHBondContact O-N 3.03Å; R214-F217 VanDerWaalsContact O-N 3.12Å; F217-T219 VanDerWaalsContact C-N 3.34Å; F217-T219 PolarHBondContact O-N 2.82Å; F217-Q220 PolarHBondContact O-N 3.26Å; F217-L221 HydrophobicContact CD1-CD1 3.52Å; F217-L221 HydrophobicContact CD1-CG 4.48Å; F217-L221 HydrophobicContact CE1-CD1 3.11Å; F217-L221 HydrophobicContact CE1-CG 4.13Å; F217-L221 HydrophobicContact CE2-CD1 4.26Å; F217-L221 HydrophobicContact CE2-CG 4.48Å; F217-L221 HydrophobicContact CG-CD1 4.27Å; F217-L221 HydrophobicContact CZ-CD1 3.52Å; F217-L221 HydrophobicContact CZ-CG 4.11Å; F217-L221 WeakPolarHBondContact O-CB 3.49Å; F217-L221 PolarHBondContact O-N 3.41Å |
| 218 | D | 65.1 | Low | 65.9 | Low | 104 Ų | 104 | 102.6 Ų | 102.6 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 177 | -72.8 | -19.2 | 0 | 0 | 0 | 111.5 | R214 S222 | R214-D218 PolarHBondContact O-N 3.18Å; D218-S222 VanDerWaalsContact O-CB 3.25Å; D218-S222 WeakPolarHBondContact O-CB 3.42Å; D218-S222 PolarHBondContact O-N 2.87Å |
| 219 | T | 68.8 | Low | 67.6 | Low | 86 Ų | 86 | 103.9 Ų | 103.9 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 174.2 | 41.1 | 0 | 0 | 0 | 0 | 112.3 | V215 S216 F217 S222 L223 | V215-T219 WeakPolarHBondContact O-CB 3.39Å; V215-T219 PolarHBondContact O-N 2.85Å; V215-T219 VanDerWaalsContact O-N 3.08Å; V215-T219 PolarHBondContact O-OG1 3.49Å; S216-T219 WeakPolarHBondContact CA-OG1 3.46Å; S216-T219 PolarHBondContact O-OG1 2.92Å; F217-T219 VanDerWaalsContact C-N 3.34Å; F217-T219 PolarHBondContact O-N 2.82Å; T219-S222 PolarHBondContact O-N 2.96Å; T219-L223 WeakPolarHBondContact O-CB 3.44Å; T219-L223 PolarHBondContact O-N 3.31Å |
| 220 | Q | 71.2 | Confident | 69.1 | Low | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 174.8 | -75.4 | 173.1 | 17.4 | 0 | 0 | 112.4 | S216 F217 S222 L223 L224 | S216-Q220 WeakPolarHBondContact O-CB 3.46Å; S216-Q220 WeakPolarHBondContact O-CG 3.36Å; S216-Q220 PolarHBondContact O-N 3.14Å; F217-Q220 PolarHBondContact O-N 3.26Å; Q220-S222 VanDerWaalsContact C-N 3.32Å; Q220-S222 PolarHBondContact O-N 2.67Å; Q220-L223 PolarHBondContact O-N 2.95Å; Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 PolarHBondContact O-N 2.98Å |
| 221 | L | 71.4 | Confident | 70.7 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 173.7 | -90 | 165.2 | 0 | 0 | 0 | 111.8 | F217 L224 G225 | F217-L221 HydrophobicContact CD1-CD1 3.52Å; F217-L221 HydrophobicContact CD1-CG 4.48Å; F217-L221 HydrophobicContact CE1-CD1 3.11Å; F217-L221 HydrophobicContact CE1-CG 4.13Å; F217-L221 HydrophobicContact CE2-CD1 4.26Å; F217-L221 HydrophobicContact CE2-CG 4.48Å; F217-L221 HydrophobicContact CG-CD1 4.27Å; F217-L221 HydrophobicContact CZ-CD1 3.52Å; F217-L221 HydrophobicContact CZ-CG 4.11Å; F217-L221 WeakPolarHBondContact O-CB 3.49Å; F217-L221 PolarHBondContact O-N 3.41Å; L221-L224 PolarHBondContact O-N 3.47Å; L221-G225 PolarHBondContact O-N 3.25Å |
| 222 | S | 75.9 | Confident | 72.3 | Confident | 61 Ų | 61 | 103.3 Ų | 103.3 | 43% | 0.427 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.7 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | D218 T219 Q220 G225 R226 | D218-S222 VanDerWaalsContact O-CB 3.25Å; D218-S222 WeakPolarHBondContact O-CB 3.42Å; D218-S222 PolarHBondContact O-N 2.87Å; T219-S222 PolarHBondContact O-N 2.96Å; Q220-S222 VanDerWaalsContact C-N 3.32Å; Q220-S222 PolarHBondContact O-N 2.67Å; S222-G225 PolarHBondContact O-N 3.12Å; S222-R226 WeakPolarHBondContact O-CG 3.35Å; S222-R226 PolarHBondContact O-N 3.34Å |
| 223 | L | 76.4 | Confident | 73.9 | Confident | 107 Ų | 107 | 98.7 Ų | 98.7 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 176.2 | -149.9 | 99 | 0 | 0 | 0 | 111.5 | T219 Q220 R226 N227 | T219-L223 WeakPolarHBondContact O-CB 3.44Å; T219-L223 PolarHBondContact O-N 3.31Å; Q220-L223 PolarHBondContact O-N 2.95Å; L223-R226 PolarHBondContact O-N 2.7Å; L223-N227 VanDerWaalsContact O-CG 3.26Å; L223-N227 PolarHBondContact O-N 3.03Å; L223-N227 PolarHBondContact O-ND2 2.87Å |
| 224 | L | 82.5 | Confident | 75.1 | Confident | 97 Ų | 97 | 95.9 Ų | 95.9 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176 | -177.8 | 65.1 | 0 | 0 | 0 | 111.4 | Q220 L221 R226 N227 I228 | Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 PolarHBondContact O-N 2.98Å; L221-L224 PolarHBondContact O-N 3.47Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.25Å; L224-N227 PolarHBondContact O-N 3.08Å; L224-I228 HydrophobicContact CD1-CD1 4.33Å; L224-I228 HydrophobicContact CG-CD1 4.03Å; L224-I228 WeakPolarHBondContact O-CG1 3.16Å; L224-I228 PolarHBondContact O-N 2.95Å |
| 225 | G | 84.6 | Confident | 76.3 | Confident | 40 Ų | 40 | 93 Ų | 93 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L221 S222 I228 L229 | L221-G225 PolarHBondContact O-N 3.25Å; S222-G225 PolarHBondContact O-N 3.12Å; G225-I228 PolarHBondContact O-N 3.09Å; G225-L229 WeakPolarHBondContact O-CB 3.35Å; G225-L229 PolarHBondContact O-N 2.85Å |
| 226 | R | 79.7 | Confident | 77.3 | Confident | 165 Ų | 165 | 93.6 Ų | 93.6 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 174.7 | -73 | 178.1 | -176.8 | 179.8 | 1.3 | 112.6 | S222 L223 L224 L229 N230 | S222-R226 WeakPolarHBondContact O-CG 3.35Å; S222-R226 PolarHBondContact O-N 3.34Å; L223-R226 PolarHBondContact O-N 2.7Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.25Å; R226-L229 PolarHBondContact O-N 3.01Å; R226-N230 WeakPolarHBondContact O-CB 3.46Å; R226-N230 VanDerWaalsContact O-CG 3.24Å; R226-N230 PolarHBondContact O-N 3.46Å; R226-N230 PolarHBondContact O-ND2 2.86Å |
| 227 | N | 83.9 | Confident | 77.9 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 178.1 | -71.1 | -16.4 | 0 | 0 | 0 | 111.9 | L223 L224 N230 L231 | L223-N227 VanDerWaalsContact O-CG 3.26Å; L223-N227 PolarHBondContact O-N 3.03Å; L223-N227 PolarHBondContact O-ND2 2.87Å; L224-N227 PolarHBondContact O-N 3.08Å; N227-N230 PolarHBondContact O-N 3.1Å; N227-L231 PolarHBondContact O-N 3.15Å |
| 228 | I | 84.8 | Confident | 78.5 | Confident | 90 Ų | 90 | 93.3 Ų | 93.3 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 175.4 | -66.5 | 166.9 | 0 | 0 | 0 | 110.3 | L224 G225 N230 L231 L232 | L224-I228 HydrophobicContact CD1-CD1 4.33Å; L224-I228 HydrophobicContact CG-CD1 4.03Å; L224-I228 WeakPolarHBondContact O-CG1 3.16Å; L224-I228 PolarHBondContact O-N 2.95Å; G225-I228 PolarHBondContact O-N 3.09Å; I228-N230 VanDerWaalsContact C-N 3.33Å; I228-N230 PolarHBondContact O-N 3.05Å; I228-L231 PolarHBondContact O-N 2.93Å; I228-L232 HydrophobicContact CG2-CD1 4.02Å; I228-L232 HydrophobicContact CG2-CG 4.44Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 2.9Å |
| 229 | L | 85.8 | Confident | 78.4 | Confident | 100 Ų | 100 | 90.5 Ų | 90.5 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.9 | -167.4 | 71.2 | 0 | 0 | 0 | 112 | G225 R226 L232 N233 | G225-L229 WeakPolarHBondContact O-CB 3.35Å; G225-L229 PolarHBondContact O-N 2.85Å; R226-L229 PolarHBondContact O-N 3.01Å; L229-L232 PolarHBondContact O-N 3.48Å; L229-N233 WeakPolarHBondContact O-CB 3.47Å; L229-N233 VanDerWaalsContact O-CG 3.28Å; L229-N233 PolarHBondContact O-N 2.99Å; L229-N233 PolarHBondContact O-ND2 2.93Å |
| 230 | N | 83.5 | Confident | 78.3 | Confident | 105 Ų | 105 | 90.5 Ų | 90.5 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 176.5 | -72.9 | -15.1 | 0 | 0 | 0 | 112.2 | R226 N227 I228 N233 G234 | R226-N230 WeakPolarHBondContact O-CB 3.46Å; R226-N230 VanDerWaalsContact O-CG 3.24Å; R226-N230 PolarHBondContact O-N 3.46Å; R226-N230 PolarHBondContact O-ND2 2.86Å; N227-N230 PolarHBondContact O-N 3.1Å; I228-N230 VanDerWaalsContact C-N 3.33Å; I228-N230 PolarHBondContact O-N 3.05Å; N230-N233 PolarHBondContact O-N 3.18Å; N230-G234 PolarHBondContact O-N 3.02Å |
| 231 | L | 84.7 | Confident | 77.9 | Confident | 121 Ų | 121 | 89.9 Ų | 89.9 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 176.6 | -173.5 | 68.4 | 0 | 0 | 0 | 111.3 | N227 I228 G234 L235 | N227-L231 PolarHBondContact O-N 3.15Å; I228-L231 PolarHBondContact O-N 2.93Å; L231-G234 PolarHBondContact O-N 3.42Å; L231-L235 HydrophobicContact CG-CD1 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.76Å |
| 232 | L | 85.3 | Confident | 77.2 | Confident | 90 Ų | 90 | 91 Ų | 91 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.1 | -69.8 | 172.4 | 0 | 0 | 0 | 111.7 | I228 L229 G234 L235 I236 | I228-L232 HydrophobicContact CG2-CD1 4.02Å; I228-L232 HydrophobicContact CG2-CG 4.44Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 2.9Å; L229-L232 PolarHBondContact O-N 3.48Å; L232-G234 VanDerWaalsContact C-N 3.31Å; L232-G234 PolarHBondContact O-N 2.79Å; L232-L235 PolarHBondContact O-N 3.13Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.05Å |
| 233 | N | 84 | Confident | 76.4 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 176.1 | -72.4 | -17.9 | 0 | 0 | 0 | 112.1 | L229 N230 A237 | L229-N233 WeakPolarHBondContact O-CB 3.47Å; L229-N233 VanDerWaalsContact O-CG 3.28Å; L229-N233 PolarHBondContact O-N 2.99Å; L229-N233 PolarHBondContact O-ND2 2.93Å; N230-N233 PolarHBondContact O-N 3.18Å; N233-A237 WeakPolarHBondContact O-CB 3.03Å; N233-A237 PolarHBondContact O-N 2.98Å |
| 234 | G | 79.5 | Confident | 75.7 | Confident | 40 Ų | 40 | 95.7 Ų | 95.7 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N230 L231 L232 A237 E238 | N230-G234 PolarHBondContact O-N 3.02Å; L231-G234 PolarHBondContact O-N 3.42Å; L232-G234 VanDerWaalsContact C-N 3.31Å; L232-G234 PolarHBondContact O-N 2.79Å; G234-A237 PolarHBondContact O-N 3.08Å; G234-E238 WeakPolarHBondContact O-CB 3.25Å; G234-E238 PolarHBondContact O-N 3.06Å |
| 235 | L | 79.4 | Confident | 74.5 | Confident | 93 Ų | 93 | 94 Ų | 94 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 178.2 | -70.8 | 170.9 | 0 | 0 | 0 | 112.7 | L231 L232 E238 A239 | L231-L235 HydrophobicContact CG-CD1 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.76Å; L232-L235 PolarHBondContact O-N 3.13Å; L235-E238 PolarHBondContact O-N 2.99Å; L235-A239 WeakPolarHBondContact O-CB 3.1Å; L235-A239 PolarHBondContact O-N 3.04Å |
| 236 | I | 77.3 | Confident | 73.2 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 175 | -67.1 | 164.1 | 0 | 0 | 0 | 110.1 | L232 E238 A239 D240 | L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.05Å; I236-E238 VanDerWaalsContact C-N 3.29Å; I236-E238 PolarHBondContact O-N 3.36Å; I236-A239 PolarHBondContact O-N 3.13Å; I236-D240 PolarHBondContact O-N 3.46Å |
| 237 | A | 72.5 | Confident | 72.1 | Confident | 60 Ų | 60 | 90.4 Ų | 90.4 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N233 G234 L241 | N233-A237 WeakPolarHBondContact O-CB 3.03Å; N233-A237 PolarHBondContact O-N 2.98Å; G234-A237 PolarHBondContact O-N 3.08Å; A237-L241 WeakPolarHBondContact O-CB 3.23Å; A237-L241 PolarHBondContact O-N 3.13Å |
| 238 | E | 71.2 | Confident | 70.9 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 175.8 | -169.4 | 172.7 | -177.3 | 0 | 0 | 111.9 | G234 L235 I236 L241 Q242 | G234-E238 WeakPolarHBondContact O-CB 3.25Å; G234-E238 PolarHBondContact O-N 3.06Å; L235-E238 PolarHBondContact O-N 2.99Å; I236-E238 VanDerWaalsContact C-N 3.29Å; I236-E238 PolarHBondContact O-N 3.36Å; E238-L241 PolarHBondContact O-N 2.81Å; E238-Q242 WeakPolarHBondContact O-CG 3.39Å; E238-Q242 PolarHBondContact O-N 3.27Å |
| 239 | A | 65 | Low | 69.7 | Low | 45 Ų | 45 | 92.6 Ų | 92.6 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L235 I236 L241 Q242 L243 | L235-A239 WeakPolarHBondContact O-CB 3.1Å; L235-A239 PolarHBondContact O-N 3.04Å; I236-A239 PolarHBondContact O-N 3.13Å; A239-L241 VanDerWaalsContact C-N 3.29Å; A239-L241 PolarHBondContact O-N 3.06Å; A239-Q242 PolarHBondContact O-N 3.15Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.48Å |
| 240 | D | 66.7 | Low | 68.5 | Low | 86 Ų | 86 | 94.8 Ų | 94.8 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 174.8 | -83.9 | -7.6 | 0 | 0 | 0 | 112.2 | I236 K244 | I236-D240 PolarHBondContact O-N 3.46Å; D240-K244 WeakPolarHBondContact O-CG 3.37Å; D240-K244 PolarHBondContact O-N 3.21Å |
| 241 | L | 62.3 | Low | 67.3 | Low | 115 Ų | 115 | 92.4 Ų | 92.4 | 60% | 0.602 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.5 | -41.2 | 176 | -162.2 | 77.8 | 0 | 0 | 0 | 111.5 | A237 E238 A239 K244 T245 | A237-L241 WeakPolarHBondContact O-CB 3.23Å; A237-L241 PolarHBondContact O-N 3.13Å; E238-L241 PolarHBondContact O-N 2.81Å; A239-L241 VanDerWaalsContact C-N 3.29Å; A239-L241 PolarHBondContact O-N 3.06Å; L241-K244 PolarHBondContact O-N 3.41Å; L241-T245 WeakPolarHBondContact O-CB 3.43Å; L241-T245 PolarHBondContact O-N 2.88Å; L241-T245 PolarHBondContact O-OG1 2.88Å |
| 242 | Q | 56.9 | Low | 66 | Low | 106 Ų | 106 | 91.3 Ų | 91.3 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.9 | -73.1 | 178.9 | 12.2 | 0 | 0 | 111.1 | E238 A239 K244 T245 D246 | E238-Q242 WeakPolarHBondContact O-CG 3.39Å; E238-Q242 PolarHBondContact O-N 3.27Å; A239-Q242 PolarHBondContact O-N 3.15Å; Q242-K244 VanDerWaalsContact C-N 3.3Å; Q242-K244 PolarHBondContact O-N 3.24Å; Q242-T245 PolarHBondContact O-N 3.31Å; Q242-D246 PolarHBondContact O-N 2.92Å |
| 243 | L | 58.9 | Low | 65 | Low | 123 Ų | 123 | 93.4 Ų | 93.4 | 64% | 0.644 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -40.1 | 176.2 | -79.3 | 160.3 | 0 | 0 | 0 | 112.9 | A239 G247 | A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.48Å; L243-G247 PolarHBondContact O-N 3.06Å; L243-G247 VanDerWaalsContact O-N 3.15Å |
| 244 | K | 60.7 | Low | 63.8 | Low | 145 Ų | 145 | 92 Ų | 92 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.7 | -39.1 | 175.2 | -74 | 173.6 | -177.5 | 171.3 | 0 | 112.1 | D240 L241 Q242 I248 | D240-K244 WeakPolarHBondContact O-CG 3.37Å; D240-K244 PolarHBondContact O-N 3.21Å; L241-K244 PolarHBondContact O-N 3.41Å; Q242-K244 VanDerWaalsContact C-N 3.3Å; Q242-K244 PolarHBondContact O-N 3.24Å; K244-I248 WeakPolarHBondContact O-CD1 3.46Å; K244-I248 VanDerWaalsContact O-CG1 3.24Å; K244-I248 WeakPolarHBondContact O-CG1 3.37Å; K244-I248 PolarHBondContact O-N 3.33Å; K244-I248 VanDerWaalsContact O-N 3.17Å |
| 245 | T | 58 | Low | 62.8 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | -178.3 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | L241 Q242 I248 Q249 | L241-T245 WeakPolarHBondContact O-CB 3.43Å; L241-T245 PolarHBondContact O-N 2.88Å; L241-T245 PolarHBondContact O-OG1 2.88Å; Q242-T245 PolarHBondContact O-N 3.31Å; T245-I248 PolarHBondContact O-N 3.44Å; T245-Q249 PolarHBondContact O-N 3.06Å; T245-Q249 VanDerWaalsContact O-N 3.09Å |
| 246 | D | 57.5 | Low | 61.8 | Low | 90 Ų | 90 | 98.9 Ų | 98.9 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 178.2 | -67.7 | -16.2 | 0 | 0 | 0 | 111.4 | Q242 I248 Q249 Q250 | Q242-D246 PolarHBondContact O-N 2.92Å; D246-I248 VanDerWaalsContact C-N 3.33Å; D246-I248 PolarHBondContact O-N 3.23Å; D246-Q249 PolarHBondContact O-N 2.99Å; D246-Q250 PolarHBondContact O-N 2.97Å |
| 247 | G | 56 | Low | 60.7 | Low | 39 Ų | 39 | 98.2 Ų | 98.2 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L243 A251 | L243-G247 PolarHBondContact O-N 3.06Å; L243-G247 VanDerWaalsContact O-N 3.15Å; G247-A251 WeakPolarHBondContact O-CB 3.5Å; G247-A251 PolarHBondContact O-N 2.9Å; G247-A251 VanDerWaalsContact O-N 3.07Å |
| 248 | I | 58.3 | Low | 59.9 | Low | 117 Ų | 117 | 98.3 Ų | 98.3 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.9 | -43.6 | 176.6 | -67.4 | 163.7 | 0 | 0 | 0 | 110.7 | K244 T245 D246 A251 E252 | K244-I248 WeakPolarHBondContact O-CD1 3.46Å; K244-I248 VanDerWaalsContact O-CG1 3.24Å; K244-I248 WeakPolarHBondContact O-CG1 3.37Å; K244-I248 PolarHBondContact O-N 3.33Å; K244-I248 VanDerWaalsContact O-N 3.17Å; T245-I248 PolarHBondContact O-N 3.44Å; D246-I248 VanDerWaalsContact C-N 3.33Å; D246-I248 PolarHBondContact O-N 3.23Å; I248-A251 PolarHBondContact O-N 3.21Å; I248-E252 PolarHBondContact O-N 3.15Å |
| 249 | Q | 59.2 | Low | 59.2 | Low | 110 Ų | 110 | 97.7 Ų | 97.7 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 179.5 | -69.7 | -174.8 | 16.1 | 0 | 0 | 112.3 | T245 D246 E252 Q253 | T245-Q249 PolarHBondContact O-N 3.06Å; T245-Q249 VanDerWaalsContact O-N 3.09Å; D246-Q249 PolarHBondContact O-N 2.99Å; Q249-E252 PolarHBondContact O-N 3.27Å; Q249-Q253 PolarHBondContact O-N 3.4Å |
| 250 | Q | 62 | Low | 58.6 | Low | 146 Ų | 146 | 101 Ų | 101 | 68% | 0.682 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 174.5 | -76.8 | -170.4 | -4 | 0 | 0 | 112 | D246 E252 Q253 A254 | D246-Q250 PolarHBondContact O-N 2.97Å; Q250-E252 VanDerWaalsContact C-N 3.32Å; Q250-E252 PolarHBondContact O-N 3.17Å; Q250-Q253 PolarHBondContact O-N 3.34Å; Q250-A254 WeakPolarHBondContact O-CB 3.29Å; Q250-A254 PolarHBondContact O-N 3.28Å |
| 251 | A | 58.7 | Low | 57.9 | Low | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.2 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G247 I248 K255 | G247-A251 WeakPolarHBondContact O-CB 3.5Å; G247-A251 PolarHBondContact O-N 2.9Å; G247-A251 VanDerWaalsContact O-N 3.07Å; I248-A251 PolarHBondContact O-N 3.21Å; A251-K255 PolarHBondContact O-N 3.2Å; A251-K255 VanDerWaalsContact O-N 3.16Å |
| 252 | E | 56.9 | Low | 57 | Low | 99 Ų | 99 | 107.8 Ų | 107.8 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.7 | -39.8 | 176.7 | -156.1 | -166.1 | 138.3 | 0 | 0 | 112.1 | I248 Q249 Q250 K255 K256 | I248-E252 PolarHBondContact O-N 3.15Å; Q249-E252 PolarHBondContact O-N 3.27Å; Q250-E252 VanDerWaalsContact C-N 3.32Å; Q250-E252 PolarHBondContact O-N 3.17Å; E252-K255 PolarHBondContact O-N 2.97Å; E252-K256 PolarHBondContact O-N 3.11Å; E252-K256 VanDerWaalsContact O-N 3.11Å; E252-K256 VanDerWaalsContact OE1-CE 3.3Å; E252-K256 WeakPolarHBondContact OE1-CE 3.48Å; E252-K256 IonicContact OE1-NZ 2.76Å; E252-K256 PolarHBondContact OE1-NZ 2.92Å |
| 253 | Q | 63.5 | Low | 56 | Low | 134 Ų | 134 | 105.9 Ų | 105.9 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.3 | -43.1 | 173.3 | -76.7 | -172.9 | 0.9 | 0 | 0 | 111.7 | Q249 Q250 K255 K256 V257 | Q249-Q253 PolarHBondContact O-N 3.4Å; Q250-Q253 PolarHBondContact O-N 3.34Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 3.02Å; Q253-K256 PolarHBondContact O-N 3.02Å; Q253-K256 VanDerWaalsContact O-N 3.13Å; Q253-V257 WeakPolarHBondContact O-CG2 3.49Å; Q253-V257 PolarHBondContact O-N 3.05Å |
| 254 | A | 59 | Low | 55.4 | Low | 61 Ų | 61 | 103.8 Ų | 103.8 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.6 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q250 V257 A258 | Q250-A254 WeakPolarHBondContact O-CB 3.29Å; Q250-A254 PolarHBondContact O-N 3.28Å; A254-V257 PolarHBondContact O-N 3.39Å; A254-A258 PolarHBondContact O-N 2.77Å |
| 255 | K | 59.1 | Low | 54.3 | Low | 158 Ų | 158 | 103.9 Ų | 103.9 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.8 | -41.2 | 174.1 | -78.2 | -176.9 | 178.9 | -179.5 | 0 | 112.9 | A251 E252 Q253 V257 A258 T259 | A251-K255 PolarHBondContact O-N 3.2Å; A251-K255 VanDerWaalsContact O-N 3.16Å; E252-K255 PolarHBondContact O-N 2.97Å; Q253-K255 VanDerWaalsContact C-N 3.28Å; Q253-K255 PolarHBondContact O-N 3.02Å; K255-V257 VanDerWaalsContact C-N 3.33Å; K255-V257 PolarHBondContact O-N 3.35Å; K255-A258 PolarHBondContact O-N 2.85Å; K255-T259 PolarHBondContact O-N 2.89Å; K255-T259 VanDerWaalsContact O-N 3.09Å; K255-T259 PolarHBondContact O-OG1 2.88Å |
| 256 | K | 57.4 | Low | 53.7 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -37.6 | 176.5 | -71.7 | 174.8 | -174.6 | 163.7 | 0 | 111.9 | E252 Q253 T259 T260 | E252-K256 PolarHBondContact O-N 3.11Å; E252-K256 VanDerWaalsContact O-N 3.11Å; E252-K256 VanDerWaalsContact OE1-CE 3.3Å; E252-K256 WeakPolarHBondContact OE1-CE 3.48Å; E252-K256 IonicContact OE1-NZ 2.76Å; E252-K256 PolarHBondContact OE1-NZ 2.92Å; Q253-K256 PolarHBondContact O-N 3.02Å; Q253-K256 VanDerWaalsContact O-N 3.13Å; K256-T259 PolarHBondContact O-OG1 3.26Å; K256-T260 PolarHBondContact O-N 3.18Å; K256-T260 PolarHBondContact O-OG1 2.87Å |
| 257 | V | 55.9 | Low | 52.8 | Low | 87 Ų | 87 | 109.1 Ų | 109.1 | 53% | 0.527 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.8 | -39.1 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | Q253 A254 K255 T260 K261 | Q253-V257 WeakPolarHBondContact O-CG2 3.49Å; Q253-V257 PolarHBondContact O-N 3.05Å; A254-V257 PolarHBondContact O-N 3.39Å; K255-V257 VanDerWaalsContact C-N 3.33Å; K255-V257 PolarHBondContact O-N 3.35Å; V257-T260 PolarHBondContact O-N 3.49Å; V257-K261 PolarHBondContact O-N 3.18Å |
| 258 | A | 55 | Low | 52.4 | Low | 61 Ų | 61 | 115 Ų | 115 | 50% | 0.504 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.4 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A254 K255 T260 K261 | A254-A258 PolarHBondContact O-N 2.77Å; K255-A258 PolarHBondContact O-N 2.85Å; A258-T260 PolarHBondContact O-N 3.15Å; A258-K261 PolarHBondContact O-N 3.29Å |
| 259 | T | 56 | Low | 51.6 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.1 | -31.7 | 178.9 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | K255 K256 K261 Q262 | K255-T259 PolarHBondContact O-N 2.89Å; K255-T259 VanDerWaalsContact O-N 3.09Å; K255-T259 PolarHBondContact O-OG1 2.88Å; K256-T259 PolarHBondContact O-OG1 3.26Å; T259-K261 PolarHBondContact O-N 3.03Å; T259-Q262 PolarHBondContact O-N 2.9Å |
| 260 | T | 52.4 | Low | 50.7 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.8 | -25.7 | 178.2 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | K256 V257 A258 | K256-T260 PolarHBondContact O-N 3.18Å; K256-T260 PolarHBondContact O-OG1 2.87Å; V257-T260 PolarHBondContact O-N 3.49Å; A258-T260 PolarHBondContact O-N 3.15Å |
| 261 | K | 51.8 | Low | 49.5 | Very low | 171 Ų | 171 | 116.9 Ų | 116.9 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -84.7 | -9.2 | 177.3 | -70.3 | -171.6 | 178.7 | -176.6 | 0 | 114.9 | V257 A258 T259 | V257-K261 PolarHBondContact O-N 3.18Å; A258-K261 PolarHBondContact O-N 3.29Å; T259-K261 PolarHBondContact O-N 3.03Å |
| 262 | Q | 43.3 | Very low | 48.8 | Very low | 172 Ų | 172 | 120 Ų | 120 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -89.9 | -0.9 | 175.7 | -85.2 | -175.9 | -18.9 | 0 | 0 | 114.2 | T259 A264 | T259-Q262 PolarHBondContact O-N 2.9Å; Q262-A264 VanDerWaalsContact C-N 3.32Å; Q262-A264 PolarHBondContact O-N 2.99Å |
| 263 | G | 36.9 | Very low | 48.2 | Very low | 67 Ų | 67 | 120 Ų | 120 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -81.6 | 2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | N265 | G263-N265 VanDerWaalsContact C-N 3.33Å; G263-N265 PolarHBondContact O-N 3.08Å |
| 264 | A | 45.5 | Very low | 47 | Very low | 78 Ų | 78 | 121 Ų | 121 | 65% | 0.645 | 69% | 0.693 | S | S | * | * | trans | -77.3 | 88.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q262 I266 | Q262-A264 VanDerWaalsContact C-N 3.32Å; Q262-A264 PolarHBondContact O-N 2.99Å; A264-I266 VanDerWaalsContact O-CG1 3.27Å; A264-I266 WeakPolarHBondContact O-CG1 3.38Å; A264-I266 PolarHBondContact O-N 2.96Å | ||
| 265 | N | 39 | Very low | 45.8 | Very low | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -52 | 97 | 170.8 | -164.9 | -1.4 | 0 | 0 | 0 | 109.3 | G263 N267 | G263-N265 VanDerWaalsContact C-N 3.33Å; G263-N265 PolarHBondContact O-N 3.08Å; N265-N267 PolarHBondContact O-N 3.05Å | ||
| 266 | I | 45.1 | Very low | 44.8 | Very low | 134 Ų | 134 | 122 Ų | 122 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | -73.7 | 97.1 | -179.5 | -46.4 | 178.9 | 0 | 0 | 0 | 106.4 | A264 L268 | A264-I266 VanDerWaalsContact O-CG1 3.27Å; A264-I266 WeakPolarHBondContact O-CG1 3.38Å; A264-I266 PolarHBondContact O-N 2.96Å; I266-L268 PolarHBondContact O-N 3.05Å | ||
| 267 | N | 38.6 | Very low | 43.6 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | -61 | 97.5 | 169.4 | -113.6 | -48.1 | 0 | 0 | 0 | 108.3 | N265 T269 | N265-N267 PolarHBondContact O-N 3.05Å; N267-T269 PolarHBondContact O-N 3.41Å | ||
| 268 | L | 47.4 | Very low | 42.6 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 16.9 | 180 | -73.4 | 166.7 | 0 | 0 | 0 | 113.8 | I266 | I266-L268 PolarHBondContact O-N 3.05Š|
| 269 | T | 41.9 | Very low | 41.7 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 6.4 | -176.3 | 39.9 | 0 | 0 | 0 | 0 | 114.4 | N267 | N267-T269 PolarHBondContact O-N 3.41Š|
| 270 | K | 39.1 | Very low | 40.5 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -124.1 | 121.8 | 169 | -69.4 | -176.1 | -179 | 178.6 | 0 | 110.1 | ||
| 271 | P | 37.8 | Very low | 39.8 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 141 | 179.8 | 23.7 | -31.7 | 0 | 0 | 0 | 109.9 | A273 | P271-A273 PolarHBondContact O-N 3.08Š|
| 272 | P | 44.6 | Very low | 38.9 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 128.8 | -178.6 | 24 | -32.3 | 0 | 0 | 0 | 109.6 | I274 | P272-I274 PolarHBondContact O-N 3.07Å; P272-I274 VanDerWaalsContact O-N 3.09Å |
| 273 | A | 43.5 | Very low | 38.3 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 117 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | P271 C275 | P271-A273 PolarHBondContact O-N 3.08Å; A273-C275 PolarHBondContact O-N 3.39Å; A273-C275 VanDerWaalsContact O-N 3.12Å |
| 274 | I | 38 | Very low | 37.9 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | -65.1 | 112.7 | 178.9 | -57 | 169 | 0 | 0 | 0 | 106.8 | P272 T276 | P272-I274 PolarHBondContact O-N 3.07Å; P272-I274 VanDerWaalsContact O-N 3.09Å; I274-T276 PolarHBondContact O-N 2.76Å; I274-T276 VanDerWaalsContact O-N 3.15Å | ||
| 275 | C | 34.2 | Very low | 37.1 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 69% | 0.689 | 79% | 0.787 | S | S | * | * | trans | -69.5 | 105.8 | 176.7 | -177 | 0 | 0 | 0 | 0 | 109.3 | A273 C277 | A273-C275 PolarHBondContact O-N 3.39Å; A273-C275 VanDerWaalsContact O-N 3.12Å; C275-C277 PolarHBondContact O-N 3.47Å | ||
| 276 | T | 38.6 | Very low | 36.7 | Very low | 139 Ų | 139 | 123.1 Ų | 123.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -74 | 66.1 | 172.7 | 12.2 | 0 | 0 | 0 | 0 | 110.3 | I274 | I274-T276 PolarHBondContact O-N 2.76Å; I274-T276 VanDerWaalsContact O-N 3.15Å | ||
| 277 | C | 30.8 | Very low | 35.8 | Very low | 109 Ų | 109 | 122 Ų | 122 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -136.3 | 56.5 | 168.7 | -57 | 0 | 0 | 0 | 0 | 109.2 | C275 | C275-C277 PolarHBondContact O-N 3.47Š| ||
| 278 | A | 35.2 | Very low | 35.4 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -120.2 | 79.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | N280 | A278-N280 VanDerWaalsContact C-N 3.31Å; A278-N280 PolarHBondContact O-N 2.75Å | ||
| 279 | T | 36 | Very low | 34.5 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -64.1 | 97.6 | 165.8 | -50.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 280 | N | 31.2 | Very low | 33.7 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 23.3 | 113 | 164.5 | -72.7 | -20.2 | 0 | 0 | 0 | 119.3 | A278 A282 | A278-N280 VanDerWaalsContact C-N 3.31Å; A278-N280 PolarHBondContact O-N 2.75Å; N280-A282 PolarHBondContact O-N 3.07Å | ||
| 281 | P | 37.1 | Very low | 33.4 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -80.5 | 93.8 | 164.2 | 33 | -28.6 | 0 | 0 | 0 | 109.6 | ||||
| 282 | A | 33.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -93.1 | 100.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N280 | N280-A282 PolarHBondContact O-N 3.07Š| ||
| 283 | A | 30.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | 27 | 111.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 284 | G | 28.8 | Very low | 32.1 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -172 | 80.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A286 | G284-A286 PolarHBondContact O-N 2.83Š| ||
| 285 | T | 28.2 | Very low | 32.2 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -63.1 | 118.1 | 167.8 | 41.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 286 | A | 30.3 | Very low | 32.3 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 171.5 | 113.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G284 | G284-A286 PolarHBondContact O-N 2.83Š| ||
| 287 | S | 26 | Very low | 32.5 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 33.8 | 110.8 | 135.1 | -158.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 288 | V | 29.9 | Very low | 33.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 56.1 | 99.7 | 131.6 | -173.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 289 | K | 28.4 | Very low | 33.9 | Very low | 192 Ų | 192 | 137.4 Ų | 137.4 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | 168.8 | 133.7 | 118.8 | -95.2 | 169.9 | -173.4 | -178.2 | 0 | 112.2 | |||||
| 290 | H | 26.6 | Very low | 34.3 | Very low | 182 Ų | 182 | 136 Ų | 136 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 15.8 | 110.4 | 155.6 | -91.6 | -93.8 | 0 | 0 | 0 | 118 | ||||
| 291 | H | 31.6 | Very low | 35.1 | Very low | 193 Ų | 193 | 134 Ų | 134 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | -123.1 | 105.8 | 145.4 | -113.1 | -78.7 | 0 | 0 | 0 | 109.6 | ||||
| 292 | E | 28.5 | Very low | 35.4 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | trans | -55.7 | 148.7 | 158.8 | -154.5 | -170.1 | 129.1 | 0 | 0 | 109.8 | ||||
| 293 | K | 34.5 | Very low | 35.8 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | 74.3 | 103 | 168.4 | -61.8 | 169.7 | 179.2 | 161.3 | 0 | 116.4 | ||||
| 294 | Q | 37 | Very low | 36.2 | Very low | 194 Ų | 194 | 129.4 Ų | 129.4 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | -140.8 | 120 | 105.3 | -98 | 174 | 26.1 | 0 | 0 | 107.5 | G296 | Q294-G296 VanDerWaalsContact C-N 3.26Å; Q294-G296 PolarHBondContact O-N 2.96Å | |||
| 295 | A | 39.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -57.2 | 97.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | K297 | A295-K297 VanDerWaalsContact C-N 3.32Å; A295-K297 PolarHBondContact O-N 3.37Å | ||
| 296 | G | 36.2 | Very low | 38.3 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | -62.1 | 99.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107 | Q294 I298 | Q294-G296 VanDerWaalsContact C-N 3.26Å; Q294-G296 PolarHBondContact O-N 2.96Å; G296-I298 PolarHBondContact O-N 3.29Å | ||
| 297 | K | 42.5 | Very low | 38.8 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -59 | 106 | 165.6 | -69.9 | -175.9 | 177.2 | -170.6 | 0 | 105.6 | A295 I299 | A295-K297 VanDerWaalsContact C-N 3.32Å; A295-K297 PolarHBondContact O-N 3.37Å; K297-I299 VanDerWaalsContact C-N 3.29Å; K297-I299 PolarHBondContact O-N 2.78Å | ||
| 298 | I | 47.6 | Very low | 39.3 | Very low | 130 Ų | 130 | 131 Ų | 131 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | -73 | 93.8 | 175.2 | -55.8 | 175.4 | 0 | 0 | 0 | 105.3 | G296 H300 | G296-I298 PolarHBondContact O-N 3.29Å; I298-H300 WeakPolarHBondContact CG2-CE1 3.43Å; I298-H300 WeakPolarHBondContact CG2-NE2 3.44Å; I298-H300 PolarHBondContact O-CD2 3.09Å; I298-H300 PolarHBondContact O-N 2.78Å; I298-H300 VanDerWaalsContact O-N 3.09Å | ||
| 299 | I | 47.7 | Very low | 39.9 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -74.9 | 99.9 | 173.2 | -56.3 | 172 | 0 | 0 | 0 | 105.8 | K297 | K297-I299 VanDerWaalsContact C-N 3.29Å; K297-I299 PolarHBondContact O-N 2.78Å | ||
| 300 | H | 45.4 | Very low | 40.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 53% | 0.528 | 74% | 0.739 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 127.1 | 173.1 | -67.2 | -72.3 | 0 | 0 | 0 | 108.8 | I298 C304 | I298-H300 WeakPolarHBondContact CG2-CE1 3.43Å; I298-H300 WeakPolarHBondContact CG2-NE2 3.44Å; I298-H300 PolarHBondContact O-CD2 3.09Å; I298-H300 PolarHBondContact O-N 2.78Å; I298-H300 VanDerWaalsContact O-N 3.09Å; H300-C304 HydrophobicContact CB-CB 4.09Å |
| 301 | S | 48 | Very low | 41.1 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140.6 | 173.2 | 50 | 0 | 0 | 0 | 0 | 110.7 | G303 C304 | S301-G303 PolarHBondContact O-N 3.4Å; S301-C304 PolarHBondContact O-N 3.13Å |
| 302 | A | 42.2 | Very low | 41.2 | Very low | 113 Ų | 113 | 129 Ų | 129 | 93% | 0.934 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.1 | 122.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 303 | G | 43.1 | Very low | 41.6 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.5 | 11.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | S301 P305 | S301-G303 PolarHBondContact O-N 3.4Å; G303-P305 VanDerWaalsContact O-CD 3.32Å; G303-P305 WeakPolarHBondContact O-CD 3.46Å |
| 304 | C | 38.2 | Very low | 41.7 | Very low | 47 Ų | 47 | 129.3 Ų | 129.3 | 32% | 0.318 | 76% | 0.757 | S | S | . | * | trans | -83.9 | 112.1 | 170.8 | -159.6 | 0 | 0 | 0 | 0 | 110.2 | H300 S301 L306 G307 | H300-C304 HydrophobicContact CB-CB 4.09Å; S301-C304 PolarHBondContact O-N 3.13Å; C304-L306 PolarHBondContact O-N 3.37Å; C304-G307 PolarHBondContact O-N 3.37Å; C304-G307 VanDerWaalsContact O-N 3.16Å | ||
| 305 | P | 53 | Low | 41.5 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 17.6 | -175 | 30.7 | -36.7 | 0 | 0 | 0 | 114.5 | G303 | G303-P305 VanDerWaalsContact O-CD 3.32Å; G303-P305 WeakPolarHBondContact O-CD 3.46Å |
| 306 | L | 48.1 | Very low | 41.5 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 6.1 | 172.5 | -70.9 | 169.1 | 0 | 0 | 0 | 112.2 | C304 | C304-L306 PolarHBondContact O-N 3.37Š|
| 307 | G | 39.8 | Very low | 41.2 | Very low | 42 Ų | 42 | 129.9 Ų | 129.9 | 43% | 0.433 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -102.4 | -5.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C304 E309 | C304-G307 PolarHBondContact O-N 3.37Å; C304-G307 VanDerWaalsContact O-N 3.16Å; G307-E309 PolarHBondContact O-N 3.39Å |
| 308 | D | 37.4 | Very low | 40.7 | Very low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 9.2 | -165.8 | -70.3 | -21.3 | 0 | 0 | 0 | 115.5 | ||
| 309 | E | 42.6 | Very low | 40.1 | Very low | 191 Ų | 191 | 124.2 Ų | 124.2 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 38.6 | -176.5 | -64.9 | -75.9 | 159.4 | 0 | 0 | 112.6 | G307 | G307-E309 PolarHBondContact O-N 3.39Š|
| 310 | A | 43.8 | Very low | 39.4 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -138.1 | 14.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 311 | E | 35.4 | Very low | 38.9 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -150.4 | 113.8 | 167.4 | -60.9 | -163.8 | 178.1 | 0 | 0 | 105.3 | ||||
| 312 | E | 35.3 | Very low | 38 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | -167.4 | 124.4 | 74 | -71.2 | -176.2 | 163.8 | 0 | 0 | 109.4 | |||||
| 313 | S | 36.7 | Very low | 37.5 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -166.9 | 79.5 | 145.2 | -83.2 | 0 | 0 | 0 | 0 | 107.5 | L315 | S313-L315 PolarHBondContact O-N 3.49Š| ||
| 314 | E | 36.2 | Very low | 37.1 | Very low | 186 Ų | 186 | 134 Ų | 134 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -63.4 | 124.5 | 173.7 | -60.1 | -172.6 | 139.1 | 0 | 0 | 110.8 | ||||
| 315 | L | 33 | Very low | 37.1 | Very low | 174 Ų | 174 | 141 Ų | 141 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | 16.4 | 111.6 | 132.8 | -64.8 | 162.5 | 0 | 0 | 0 | 117.4 | S313 | S313-L315 PolarHBondContact O-N 3.49Š| ||
| 316 | S | 38.5 | Very low | 36.4 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -157.3 | 129.1 | 142.9 | 75.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 317 | G | 31.8 | Very low | 36 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 96.1 | 83.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 318 | S | 31.1 | Very low | 35.8 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | 55.9 | 94.3 | 87.6 | -148.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 319 | S | 34.1 | Very low | 35.8 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | 64.5 | 134.3 | 94.3 | 74.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 320 | E | 34.1 | Very low | 35.6 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | 89.4 | 104.5 | 166.1 | -54.9 | -169.1 | 142.6 | 0 | 0 | 117.2 | ||||
| 321 | G | 34 | Very low | 35.4 | Very low | 77 Ų | 77 | 150.3 Ų | 150.3 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -175.2 | 49.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 322 | L | 29.8 | Very low | 35.5 | Very low | 169 Ų | 169 | 152 Ų | 152 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -61.5 | 151.7 | 158.8 | -88.7 | 158.7 | 0 | 0 | 0 | 109 | ||||
| 323 | Q | 32.8 | Very low | 35.6 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | 89 | 98.4 | 170.8 | -53.6 | -178 | -11.7 | 0 | 0 | 116.5 | ||||
| 324 | H | 34.4 | Very low | 35.9 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | -158.6 | 91.3 | 116.9 | -107.7 | -63.5 | 0 | 0 | 0 | 110.5 | K326 | H324-K326 PolarHBondContact O-N 3.37Š| |||
| 325 | E | 37.5 | Very low | 36 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -61.6 | 119.7 | 145 | -171.4 | 179 | -171.7 | 0 | 0 | 106.7 | ||||
| 326 | K | 38.4 | Very low | 36.1 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | -145.9 | 112.8 | 166.7 | -104.3 | -170.4 | 173.2 | 166 | 0 | 112.2 | H324 | H324-K326 PolarHBondContact O-N 3.37Š| ||
| 327 | D | 39 | Very low | 36.3 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 78.8 | 84.7 | 133 | -56.7 | -22.4 | 0 | 0 | 0 | 119 | A329 | D327-A329 PolarHBondContact O-N 3.44Š| ||
| 328 | K | 35.6 | Very low | 36.6 | Very low | 210 Ų | 210 | 153.9 Ų | 153.9 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | -46.8 | 117.3 | 128.9 | -69 | 174.6 | 178.6 | 170.7 | 0 | 110 | |||||
| 329 | A | 38.3 | Very low | 37 | Very low | 90 Ų | 90 | 157.2 Ų | 157.2 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | 165.5 | 121.5 | 133.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D327 | D327-A329 PolarHBondContact O-N 3.44Š| ||
| 330 | N | 38.8 | Very low | 37.3 | Very low | 149 Ų | 149 | 158.4 Ų | 158.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -143.6 | 83.9 | 136.6 | -130 | -14.6 | 0 | 0 | 0 | 110.7 | ||||
| 331 | K | 37.8 | Very low | 37.8 | Very low | 201 Ų | 201 | 156.7 Ų | 156.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -84.4 | 110.3 | 151.2 | -100.9 | -179.1 | 174.1 | 174.8 | 0 | 107.1 | ||||
| 332 | R | 39.6 | Very low | 37.9 | Very low | 224 Ų | 224 | 156.2 Ų | 156.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -137.9 | 99.4 | 152.9 | -74.1 | -172.3 | 175.4 | -169.7 | -1.3 | 105.3 | ||||
| 333 | K | 36.9 | Very low | 38 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | 42.4 | 108.5 | 75.3 | -79.6 | -164.6 | 177.4 | -175.4 | 0 | 113 | |||||
| 334 | S | 41.5 | Very low | 38.5 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | -173.1 | 112.5 | 124.1 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 335 | N | 38.5 | Very low | 38.7 | Very low | 161 Ų | 161 | 156.9 Ų | 156.9 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -59.6 | 172.1 | 159.3 | -82.3 | -21.3 | 0 | 0 | 0 | 110.9 | ||||
| 336 | E | 36 | Very low | 38.7 | Very low | 166 Ų | 166 | 154.9 Ų | 154.9 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | 100.9 | 95.7 | 148.2 | -152.7 | 169.8 | -173.2 | 0 | 0 | 116 | ||||
| 337 | V | 42.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | trans | -136.8 | 85.8 | 136.3 | -174.3 | 0 | 0 | 0 | 0 | 107 | K339 | V337-K339 HydrophobicContact CG1-CD 4.34Å; V337-K339 HydrophobicContact CG1-CG 3.97Å; V337-K339 PolarHBondContact O-N 3.45Å | ||
| 338 | D | 37.3 | Very low | 38.7 | Very low | 135 Ų | 135 | 156.4 Ų | 156.4 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | -61.5 | 116.8 | 152.3 | -90 | -39.8 | 0 | 0 | 0 | 107.8 | ||||
| 339 | K | 40.7 | Very low | 38.9 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -115.8 | 85.1 | 159.8 | -90.3 | -177 | 179.8 | -175.6 | 0 | 108.4 | V337 N341 | V337-K339 HydrophobicContact CG1-CD 4.34Å; V337-K339 HydrophobicContact CG1-CG 3.97Å; V337-K339 PolarHBondContact O-N 3.45Å; K339-N341 PolarHBondContact O-N 2.91Å; K339-N341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | V | 41 | Very low | 39 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | trans | -53.7 | 104.7 | 152.1 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | A342 | V340-A342 HydrophobicContact CG1-CB 3.97Š| ||
| 341 | N | 42.8 | Very low | 39 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -102.7 | 90.9 | 152.2 | -91.5 | -3.4 | 0 | 0 | 0 | 106.3 | K339 | K339-N341 PolarHBondContact O-N 2.91Å; K339-N341 VanDerWaalsContact O-N 3.13Å | ||
| 342 | A | 36.3 | Very low | 39.1 | Very low | 67 Ų | 67 | 154.5 Ų | 154.5 | 55% | 0.554 | 82% | 0.821 | S | S | * | * | trans | -79.7 | 153.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V340 | V340-A342 HydrophobicContact CG1-CB 3.97Š| ||
| 343 | L | 32.6 | Very low | 39.1 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | 98.1 | 147.3 | 152.6 | -61.7 | 159.6 | 0 | 0 | 0 | 118.6 | ||||
| 344 | P | 42.7 | Very low | 39.2 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 100% | 1.253 | 81% | 0.814 | S | S | * | * | cis | -100.8 | 0 | -0.8 | 35 | -24.6 | 0 | 0 | 0 | 114.3 |
Retrieved 344 of 344 residues in 114.3 ms
(Link to these results)