| 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 | 46.2 | Very low | 46.6 | Very low | 238 Ų | 238 | 135.9 Ų | 135.9 | 100% | 1.172 | 79% | 0.794 | S | S | * | * | 0 | 130.3 | 0 | -59.9 | 158.3 | 75.7 | 0 | 0 | 107.2 | |||||
| 2 | S | 42.6 | Very low | 46.4 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | -166.6 | 135.7 | -15.9 | -72.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | S | 45.5 | Very low | 45.6 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 63.7 | 152.7 | 154.4 | -50.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 4 | S | 46.7 | Very low | 45.4 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | cis | -153.5 | 151.4 | -12.7 | -104.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 5 | S | 50.4 | Low | 45.1 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 65% | 0.65 | 82% | 0.823 | S | S | * | * | 48.3 | 135.2 | 89 | -101.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 6 | Q | 51.1 | Low | 44.7 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | cis | -162.9 | 164.3 | 13.7 | -145.4 | 165.5 | -51.5 | 0 | 0 | 112.9 | ||||
| 7 | A | 51.8 | Low | 44.4 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | 33.7 | 141.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 8 | G | 46.6 | Very low | 44.1 | Very low | 68 Ų | 68 | 143.7 Ų | 143.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | 137.5 | 166.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 9 | R | 42 | Very low | 44.1 | Very low | 244 Ų | 244 | 144.3 Ų | 144.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | 51.2 | 115.4 | 165.7 | -78.5 | -179.3 | 170.9 | 164.6 | -3.6 | 116.2 | ||||
| 10 | S | 46 | Very low | 43.8 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | 139.8 | 154.9 | 68.8 | -100 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 11 | E | 43.6 | Very low | 43.7 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | cis | -146.1 | -176.3 | -5.6 | -75.5 | -138.4 | 115.7 | 0 | 0 | 109.5 | ||||
| 12 | M | 44.3 | Very low | 43.3 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 70.2 | 99.3 | 158.6 | -49.6 | -148.1 | 86.3 | 0 | 0 | 118.5 | ||||
| 13 | L | 36.8 | Very low | 43.3 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | trans | -88.6 | 112.2 | 176.7 | -80 | 145 | 0 | 0 | 0 | 113.7 | ||||
| 14 | R | 41.5 | Very low | 43.1 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -166.3 | 125.4 | 143.5 | -104.2 | -177.3 | 179 | -151.2 | -1 | 106.1 | ||||
| 15 | P | 41.6 | Very low | 42.7 | Very low | 134 Ų | 134 | 145 Ų | 145 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | -142.6 | -165.5 | 60.7 | 41.5 | -24.2 | 0 | 0 | 0 | 113.6 | |||||
| 16 | G | 39.1 | Very low | 42 | Very low | 65 Ų | 65 | 148.9 Ų | 148.9 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | 112.3 | 98.2 | 163 | 0 | 0 | 0 | 0 | 0 | 114.8 | T18 | G16-T18 PolarHBondContact O-N 3.41Š| ||
| 17 | M | 39.4 | Very low | 41.6 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -83.8 | 83.6 | 164 | -75.7 | 172.8 | 60.2 | 0 | 0 | 109.4 | I19 | M17-I19 PolarHBondContact O-N 3.04Š| ||
| 18 | T | 38.2 | Very low | 41.1 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | -71 | 106.3 | 169.3 | -49.4 | 0 | 0 | 0 | 0 | 108.8 | G16 E20 | G16-T18 PolarHBondContact O-N 3.41Å; T18-E20 HydrophobicContact CG2-CG 4.01Å; T18-E20 PolarHBondContact O-N 3.21Å | ||
| 19 | I | 44.6 | Very low | 40.7 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 81.9 | 166.3 | -58.2 | -177.5 | 0 | 0 | 0 | 107.1 | M17 | M17-I19 PolarHBondContact O-N 3.04Š| ||
| 20 | E | 38.2 | Very low | 40.7 | Very low | 133 Ų | 133 | 144 Ų | 144 | 62% | 0.621 | 77% | 0.77 | S | S | * | * | trans | -57.9 | 140.4 | 165.7 | -82.4 | -65.4 | 122.5 | 0 | 0 | 109.9 | T18 F22 | T18-E20 HydrophobicContact CG2-CG 4.01Å; T18-E20 PolarHBondContact O-N 3.21Å; E20-F22 PolarHBondContact O-N 3.35Å | ||
| 21 | P | 41.7 | Very low | 40.4 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -70.3 | 98.6 | 178.4 | 29.3 | -33.6 | 0 | 0 | 0 | 109.6 | A23 | P21-A23 PolarHBondContact O-N 3.48Š| ||
| 22 | F | 37.6 | Very low | 40.3 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -59.2 | 133.5 | -170.5 | -131.5 | -86.1 | 0 | 0 | 0 | 112.2 | E20 | E20-F22 PolarHBondContact O-N 3.35Š| ||
| 23 | A | 43.7 | Very low | 40.3 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 57% | 0.57 | 77% | 0.766 | S | S | * | * | trans | -44.5 | 142.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P21 N25 | P21-A23 PolarHBondContact O-N 3.48Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.23Å | ||
| 24 | K | 40.6 | Very low | 40.5 | Very low | 211 Ų | 211 | 137 Ų | 137 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -62.3 | 85.8 | 168.6 | -64.8 | 172.7 | -177.9 | 175.1 | 0 | 109.3 | K26 | K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.38Å | ||
| 25 | N | 38.7 | Very low | 40.9 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -66.3 | 94.5 | 176.9 | -89.2 | 3 | 0 | 0 | 0 | 109.5 | A23 V27 | A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.23Å; N25-V27 VanDerWaalsContact C-N 3.32Å; N25-V27 PolarHBondContact O-N 3.08Å | ||
| 26 | K | 34.7 | Very low | 41.2 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | trans | -58.8 | 88.3 | 175 | -179.3 | -169.6 | 174.1 | -174.5 | 0 | 110 | K24 T28 | K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.38Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 WeakPolarHBondContact CE-OG1 3.5Å; K26-T28 PolarHBondContact O-N 3.08Å | ||
| 27 | V | 42.1 | Very low | 41.5 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -65.6 | 97.6 | 159.2 | 179.4 | 0 | 0 | 0 | 0 | 106.2 | N25 C29 | N25-V27 VanDerWaalsContact C-N 3.32Å; N25-V27 PolarHBondContact O-N 3.08Å; V27-C29 PolarHBondContact O-N 3.24Å; V27-C29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | T | 42.9 | Very low | 41.7 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 49% | 0.485 | 75% | 0.745 | S | S | . | * | trans | -66.8 | 113.3 | 177 | -59.7 | 0 | 0 | 0 | 0 | 108 | K26 N30 | K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 WeakPolarHBondContact CE-OG1 3.5Å; K26-T28 PolarHBondContact O-N 3.08Å; T28-N30 WeakPolarHBondContact CG2-OD1 3.42Å; T28-N30 PolarHBondContact O-N 3.31Å | ||
| 29 | C | 38.2 | Very low | 42.5 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -66.9 | 95.5 | 165.9 | 38.8 | 0 | 0 | 0 | 0 | 108.8 | V27 V31 | V27-C29 PolarHBondContact O-N 3.24Å; V27-C29 VanDerWaalsContact O-N 3.16Å; C29-V31 VanDerWaalsContact C-N 3.33Å; C29-V31 PolarHBondContact O-N 3.47Å | ||
| 30 | N | 40.8 | Very low | 42.7 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -69.6 | 90.6 | 172.6 | -84.8 | 7.9 | 0 | 0 | 0 | 109.7 | T28 | T28-N30 WeakPolarHBondContact CG2-OD1 3.42Å; T28-N30 PolarHBondContact O-N 3.31Å | ||
| 31 | V | 41.2 | Very low | 43.5 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -66.9 | 150.3 | 164.6 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | C29 | C29-V31 VanDerWaalsContact C-N 3.33Å; C29-V31 PolarHBondContact O-N 3.47Å | ||
| 32 | S | 40.8 | Very low | 44.7 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 87 | 79.8 | 172 | -47.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 33 | V | 44.7 | Very low | 46.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | -138.3 | 120 | 120.5 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | V35 | V33-V35 HydrophobicContact CG1-CG2 4.19Š| |||
| 34 | P | 41 | Very low | 47.2 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -79.8 | 119.8 | 166.9 | 31.4 | -29.7 | 0 | 0 | 0 | 109.2 | ||||
| 35 | V | 49.7 | Very low | 48.5 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -103.1 | 147.4 | 167.5 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | V33 D37 | V33-V35 HydrophobicContact CG1-CG2 4.19Å; V35-D37 PolarHBondContact O-N 3.31Å | ||
| 36 | H | 46.5 | Very low | 49.3 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -88.7 | 93.5 | -163.3 | -155.4 | -64.3 | 0 | 0 | 0 | 110.5 | S38 | H36-S38 PolarHBondContact O-N 3.09Š| ||
| 37 | D | 46.6 | Very low | 50.2 | Low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | -60.9 | 125.3 | 167 | -82 | -66.7 | 0 | 0 | 0 | 109.4 | V35 | V35-D37 PolarHBondContact O-N 3.31Š| ||
| 38 | S | 43.5 | Very low | 50.7 | Low | 93 Ų | 93 | 142.1 Ų | 142.1 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | -146.2 | 45.8 | -179 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | H36 | H36-S38 PolarHBondContact O-N 3.09Š| ||
| 39 | D | 53.7 | Low | 51.3 | Low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -120 | 73.8 | 166.9 | -85.2 | -65.7 | 0 | 0 | 0 | 108.9 | F41 | D39-F41 VanDerWaalsContact C-N 3.33Å; D39-F41 PolarHBondContact O-N 2.97Å | ||
| 40 | D | 49.2 | Very low | 51.7 | Low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | -71.9 | 85.6 | 175.6 | -165.5 | -86.3 | 0 | 0 | 0 | 109.6 | D42 | D40-D42 PolarHBondContact O-N 3.22Š| ||
| 41 | F | 54.9 | Low | 52.3 | Low | 189 Ų | 189 | 140.3 Ų | 140.3 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -99.1 | 71 | -175.4 | -139.1 | -74.8 | 0 | 0 | 0 | 111.5 | D39 | D39-F41 VanDerWaalsContact C-N 3.33Å; D39-F41 PolarHBondContact O-N 2.97Å | ||
| 42 | D | 68.4 | Low | 52.9 | Low | 131 Ų | 131 | 145.3 Ų | 145.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -47.5 | 121.9 | -179.9 | -163.9 | 9.3 | 0 | 0 | 0 | 111.8 | D40 Q44 | D40-D42 PolarHBondContact O-N 3.22Å; D42-Q44 PolarHBondContact O-N 3.35Å | ||
| 43 | P | 67.8 | Low | 53.5 | Low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -68.3 | 95.2 | -167.3 | 24.4 | -35.9 | 0 | 0 | 0 | 113.3 | ||||
| 44 | Q | 65 | Low | 53.5 | Low | 161 Ų | 161 | 146.8 Ų | 146.8 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -50.5 | 116.5 | -175.4 | -167.7 | -177.1 | 37.5 | 0 | 0 | 112.9 | D42 R46 | D42-Q44 PolarHBondContact O-N 3.35Å; Q44-R46 PolarHBondContact O-N 3.05Å; Q44-R46 VanDerWaalsContact O-N 3.15Å | ||
| 45 | P | 68.6 | Low | 53.5 | Low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 114.1 | -176 | 26.8 | -34 | 0 | 0 | 0 | 110.8 | ||||
| 46 | R | 55.9 | Low | 53.4 | Low | 223 Ų | 223 | 152.2 Ų | 152.2 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -84.7 | 124.3 | 175.2 | -64.8 | -170.6 | -177.2 | -165.5 | 2.6 | 110.9 | Q44 R48 | Q44-R46 PolarHBondContact O-N 3.05Å; Q44-R46 VanDerWaalsContact O-N 3.15Å; R46-R48 PolarHBondContact O-N 3.07Å | ||
| 47 | D | 51.9 | Low | 52.7 | Low | 121 Ų | 121 | 150.5 Ų | 150.5 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | trans | -56.1 | 137.4 | 173.9 | -80.2 | -60.4 | 0 | 0 | 0 | 112.7 | C49 N50 | D47-C49 PolarHBondContact O-N 3.02Å; D47-N50 PolarHBondContact O-N 2.88Å; D47-N50 VanDerWaalsContact O-N 3.17Å | ||
| 48 | R | 52.6 | Low | 52.4 | Low | 255 Ų | 255 | 148.1 Ų | 148.1 | 96% | 0.962 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 1.1 | -169.1 | -148.1 | 176.6 | -169 | 168.9 | 5.2 | 114.5 | R46 | R46-R48 PolarHBondContact O-N 3.07Š|
| 49 | C | 55.9 | Low | 52.1 | Low | 91 Ų | 91 | 155.8 Ų | 155.8 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -10.5 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | D47 S51 | D47-C49 PolarHBondContact O-N 3.02Å; C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.32Å |
| 50 | N | 46.1 | Very low | 51.6 | Low | 126 Ų | 126 | 152 Ų | 152 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | trans | -91.4 | 25.4 | -168 | -65.5 | -16.2 | 0 | 0 | 0 | 114.7 | D47 | D47-N50 PolarHBondContact O-N 2.88Å; D47-N50 VanDerWaalsContact O-N 3.17Å | ||
| 51 | S | 54.4 | Low | 51 | Low | 85 Ų | 85 | 152 Ų | 152 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -109.2 | 136.7 | 159.8 | 64.5 | 0 | 0 | 0 | 0 | 109.4 | C49 | C49-S51 VanDerWaalsContact C-N 3.3Å; C49-S51 PolarHBondContact O-N 3.32Å |
| 52 | W | 53 | Low | 50.3 | Low | 230 Ų | 230 | 153.1 Ų | 153.1 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 71.2 | 107.6 | -169.7 | -54.8 | 94.6 | 0 | 0 | 0 | 115.6 | L54 | W52-L54 VanDerWaalsContact C-N 3.34Å; W52-L54 PolarHBondContact O-N 2.87Å |
| 53 | P | 53 | Low | 49 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -73.3 | 87.1 | 170.3 | 31.1 | -33.7 | 0 | 0 | 0 | 110.4 | Q55 | P53-Q55 PolarHBondContact O-N 3.21Š| ||
| 54 | L | 46.4 | Very low | 47.9 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -74 | 79 | 170.9 | -172 | 73.1 | 0 | 0 | 0 | 109.7 | W52 K56 | W52-L54 VanDerWaalsContact C-N 3.34Å; W52-L54 PolarHBondContact O-N 2.87Å; L54-K56 PolarHBondContact O-N 2.75Å | ||
| 55 | Q | 40.9 | Very low | 46.7 | Very low | 192 Ų | 192 | 155.7 Ų | 155.7 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -58.4 | 103.3 | 179.3 | -77.2 | -168.4 | -19.2 | 0 | 0 | 111.3 | P53 | P53-Q55 PolarHBondContact O-N 3.21Š| ||
| 56 | K | 46.5 | Very low | 45.3 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -95.2 | 127.1 | 163.4 | -68.5 | 174.1 | 177 | -68.2 | 0 | 107.1 | L54 S58 | L54-K56 PolarHBondContact O-N 2.75Å; K56-S58 PolarHBondContact O-N 3.21Å | ||
| 57 | S | 32.2 | Very low | 44.4 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 124.1 | 176.3 | 45.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 58 | S | 40.1 | Very low | 44.2 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -131.9 | 131.2 | 164.6 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | K56 | K56-S58 PolarHBondContact O-N 3.21Š| ||
| 59 | R | 38.5 | Very low | 43.5 | Very low | 254 Ų | 254 | 146.8 Ų | 146.8 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -50.9 | 143 | -175 | -65 | 166.7 | 170.5 | 144.7 | -6.6 | 112.5 | ||||
| 60 | G | 41.3 | Very low | 43 | Very low | 68 Ų | 68 | 150.8 Ų | 150.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 176.3 | 58.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 61 | D | 38.2 | Very low | 42.7 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | 21 | 104.8 | 157.7 | -47.6 | -37.3 | 0 | 0 | 0 | 118.9 | ||||
| 62 | F | 39.2 | Very low | 42.4 | Very low | 213 Ų | 213 | 156.1 Ų | 156.1 | 93% | 0.934 | 81% | 0.812 | S | S | * | * | trans | -137 | 133.9 | 149 | -130.6 | -91.8 | 0 | 0 | 0 | 109.9 | ||||
| 63 | L | 42.2 | Very low | 42 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | trans | -100.3 | 141.6 | -172 | -83.6 | 162.4 | 0 | 0 | 0 | 111.7 | ||||
| 64 | H | 43.6 | Very low | 41.7 | Very low | 152 Ų | 152 | 153.9 Ų | 153.9 | 70% | 0.704 | 80% | 0.803 | S | S | * | * | trans | 67.5 | 145 | 175.1 | -40 | 144.6 | 0 | 0 | 0 | 113.6 | ||||
| 65 | H | 41.2 | Very low | 42.3 | Very low | 169 Ų | 169 | 153 Ų | 153 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | cis | -130 | 149.2 | 17.4 | -66.2 | -102.1 | 0 | 0 | 0 | 113.5 | ||||
| 66 | T | 39.1 | Very low | 42.6 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -12.6 | 124.3 | 163.3 | 51.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 67 | S | 36.7 | Very low | 42.3 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 143.2 | 149.5 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | L69 | S67-L69 PolarHBondContact O-N 3.24Š|
| 68 | P | 47.3 | Very low | 43.2 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.2 | 177.4 | 29.6 | -33 | 0 | 0 | 0 | 111.1 | ||
| 69 | L | 38.8 | Very low | 43.3 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 117.9 | 165.7 | -179 | 72.6 | 0 | 0 | 0 | 108.2 | S67 H71 | S67-L69 PolarHBondContact O-N 3.24Å; L69-H71 HydrophobicContact CD2-CB 4.22Å; L69-H71 HydrophobicContact CG-CB 4.31Å; L69-H71 PolarHBondContact O-N 3.27Å |
| 70 | I | 45.3 | Very low | 43.6 | Very low | 174 Ų | 174 | 147 Ų | 147 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -86.7 | 102.2 | 162.6 | 8.4 | 175.7 | 0 | 0 | 0 | 107.8 | ||||
| 71 | H | 40 | Very low | 43.7 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | trans | -109.3 | 112.4 | 167.9 | 176.3 | 63.5 | 0 | 0 | 0 | 106 | L69 | L69-H71 HydrophobicContact CD2-CB 4.22Å; L69-H71 HydrophobicContact CG-CB 4.31Å; L69-H71 PolarHBondContact O-N 3.27Å | ||
| 72 | E | 48 | Very low | 43.8 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -98.7 | 147.9 | 172.4 | -159.4 | 169.1 | -163.7 | 0 | 0 | 108.7 | ||||
| 73 | E | 42.8 | Very low | 43.9 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -86.7 | 145.7 | -143.2 | -59.7 | 175.7 | 129.3 | 0 | 0 | 114.3 | ||||
| 74 | I | 47.8 | Very low | 44 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -106.1 | 111.8 | 163.6 | -60.9 | 174.7 | 0 | 0 | 0 | 107.1 | E76 | I74-E76 HydrophobicContact CG2-CG 4.43Å; I74-E76 PolarHBondContact O-N 3.41Å | ||
| 75 | P | 58 | Low | 44.1 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -73.4 | 119.6 | 169.8 | -16.3 | 31.6 | 0 | 0 | 0 | 110.3 | ||||
| 76 | E | 47.1 | Very low | 44.1 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -100.5 | 156.1 | 176.1 | -78.9 | -156.5 | 156.2 | 0 | 0 | 112.9 | I74 | I74-E76 HydrophobicContact CG2-CG 4.43Å; I74-E76 PolarHBondContact O-N 3.41Å | ||
| 77 | E | 40.1 | Very low | 44.4 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | trans | 47.4 | 99.4 | 160.1 | -58.2 | -49.7 | 93.7 | 0 | 0 | 120.5 | ||||
| 78 | V | 51.7 | Low | 44.8 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | trans | -141 | 132.5 | 131.5 | -84.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 79 | S | 43 | Very low | 44.7 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -100.4 | 135.7 | 175.2 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 80 | D | 44.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -155.4 | -174.7 | 143.7 | -153.7 | -3 | 0 | 0 | 0 | 111.7 | ||||
| 81 | S | 43.3 | Very low | 45.1 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -130.1 | 155.6 | -147.8 | -35.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 82 | G | 39.6 | Very low | 45 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 113.3 | 116.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 83 | S | 41.7 | Very low | 44.7 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | cis | 85.5 | 73.6 | 27 | -154 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 84 | T | 44.5 | Very low | 44.7 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -156.3 | 134.4 | 142.9 | 43.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 85 | N | 44.7 | Very low | 44.4 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 56.9 | 134.4 | 68.8 | -62.1 | 22.8 | 0 | 0 | 0 | 111.2 | |||||
| 86 | D | 42.8 | Very low | 43.6 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | cis | -163.5 | 164.6 | 20.1 | -136.1 | -43.1 | 0 | 0 | 0 | 112.6 | ||||
| 87 | L | 44.9 | Very low | 43.2 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 61.5 | 158.2 | 161.2 | -56.2 | 170.3 | 0 | 0 | 0 | 119.6 | ||||
| 88 | A | 44.2 | Very low | 43.4 | Very low | 77 Ų | 77 | 126.4 Ų | 126.4 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -170.5 | 179.3 | -28.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 89 | V | 46.5 | Very low | 43.1 | Very low | 132 Ų | 132 | 128 Ų | 128 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 76.2 | 128.3 | 168.4 | -173.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 90 | N | 45.5 | Very low | 43.3 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | cis | -139.4 | 161.1 | 9.4 | -140.8 | -14.9 | 0 | 0 | 0 | 114.1 | ||||
| 91 | H | 46.2 | Very low | 43.3 | Very low | 184 Ų | 184 | 129 Ų | 129 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -94.6 | 167 | 177.3 | -62.8 | -96.3 | 0 | 0 | 0 | 111.6 | ||||
| 92 | G | 37.4 | Very low | 43.3 | Very low | 66 Ų | 66 | 128.6 Ų | 128.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | cis | 169.3 | 179.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 93 | P | 42.2 | Very low | 43.4 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -105.2 | 147.7 | -178.5 | 37.3 | -30.7 | 0 | 0 | 0 | 113.9 | ||||
| 94 | V | 42.9 | Very low | 43.3 | Very low | 151 Ų | 151 | 130 Ų | 130 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | trans | -141.7 | 149.9 | 170.7 | -81.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 95 | H | 40.6 | Very low | 43.6 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -59.3 | 151.7 | -178.7 | -76 | -148.9 | 0 | 0 | 0 | 114.7 | ||||
| 96 | S | 41.2 | Very low | 43.3 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | -172.9 | 153.5 | 104.1 | -77.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 97 | S | 38.4 | Very low | 43.4 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -86.5 | 156.6 | -179.2 | -45.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 98 | A | 46.1 | Very low | 43.2 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | 161.6 | 139.5 | 104.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 99 | E | 45.4 | Very low | 43 | Very low | 186 Ų | 186 | 128.3 Ų | 128.3 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | 64.2 | 162.6 | 160.8 | -29.8 | -151.3 | 147.5 | 0 | 0 | 116.8 | ||||
| 100 | V | 46.5 | Very low | 43.2 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 76% | 0.758 | 82% | 0.821 | S | S | * | * | cis | -135.2 | 163.3 | 11.8 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 101 | L | 44.5 | Very low | 43.1 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -49.8 | 143.2 | 175.1 | -75.2 | 63.1 | 0 | 0 | 0 | 115.6 | ||||
| 102 | A | 44.4 | Very low | 42.9 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -157.3 | 121.6 | 136.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 103 | S | 40.3 | Very low | 43.3 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 25.8 | 102.9 | 154.3 | -56.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 104 | A | 41 | Very low | 43.7 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -79 | 121.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 105 | M | 49 | Very low | 43.9 | Very low | 195 Ų | 195 | 125.2 Ų | 125.2 | 96% | 0.961 | 80% | 0.797 | S | S | * | * | trans | -175.6 | 137.6 | 155.9 | -105.4 | 164.9 | 85.4 | 0 | 0 | 110.7 | ||||
| 106 | G | 39.9 | Very low | 43.9 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 92.9 | 68.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 107 | A | 43.4 | Very low | 44.4 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -144.5 | 62.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G109 | A107-G109 PolarHBondContact O-N 2.9Š| ||
| 108 | T | 41.3 | Very low | 44.7 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -75 | 62.4 | 169 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | I110 | T108-I110 PolarHBondContact O-N 3.23Š| ||
| 109 | G | 41.1 | Very low | 45 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -71.4 | 89.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A107 G111 | A107-G109 PolarHBondContact O-N 2.9Å; G109-G111 VanDerWaalsContact C-N 3.33Å; G109-G111 PolarHBondContact O-N 2.9Å | ||
| 110 | I | 50.3 | Low | 45.2 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -68.7 | 96.7 | 171.1 | -59.6 | 176.2 | 0 | 0 | 0 | 106.8 | T108 | T108-I110 PolarHBondContact O-N 3.23Š| ||
| 111 | G | 42.4 | Very low | 45.6 | Very low | 51 Ų | 51 | 127.4 Ų | 127.4 | 53% | 0.526 | 78% | 0.779 | S | S | . | * | trans | -58.7 | 152.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G109 F113 | G109-G111 VanDerWaalsContact C-N 3.33Å; G109-G111 PolarHBondContact O-N 2.9Å; G111-F113 PolarHBondContact O-N 3.49Å | ||
| 112 | D | 42.3 | Very low | 46.3 | Very low | 164 Ų | 164 | 131 Ų | 131 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -53.6 | 107.9 | -175.8 | -67 | -83 | 0 | 0 | 0 | 112.5 | A114 | D112-A114 PolarHBondContact O-N 2.99Š| ||
| 113 | F | 46.4 | Very low | 47.9 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -71.9 | 70.4 | 163.3 | -88.8 | -86.4 | 0 | 0 | 0 | 109.7 | G111 T115 | G111-F113 PolarHBondContact O-N 3.49Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.9Å | ||
| 114 | A | 49.6 | Very low | 50.2 | Low | 77 Ų | 77 | 131.3 Ų | 131.3 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -55.2 | 97.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | D112 N116 | D112-A114 PolarHBondContact O-N 2.99Å; A114-N116 PolarHBondContact O-N 2.91Å | ||
| 115 | T | 47.1 | Very low | 52.6 | Low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | trans | -76.5 | 75.9 | -173.1 | 39.8 | 0 | 0 | 0 | 0 | 110.4 | F113 K117 | F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.9Å; T115-K117 PolarHBondContact O-N 2.91Å | ||
| 116 | N | 40.6 | Very low | 54.7 | Low | 146 Ų | 146 | 123 Ų | 123 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | trans | -67.9 | 51.4 | 174.9 | -95.9 | -15.7 | 0 | 0 | 0 | 112.8 | A114 R118 | A114-N116 PolarHBondContact O-N 2.91Å; N116-R118 PolarHBondContact O-N 2.91Å | ||
| 117 | K | 52.2 | Low | 57.3 | Low | 184 Ų | 184 | 120.3 Ų | 120.3 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -75.8 | 65.5 | 167.6 | -74.2 | -168.2 | 172.7 | -175.4 | 0 | 110.5 | T115 T119 | T115-K117 PolarHBondContact O-N 2.91Å; K117-T119 VanDerWaalsContact C-N 3.3Å; K117-T119 PolarHBondContact O-N 2.83Å |
| 118 | R | 45 | Very low | 59.7 | Low | 236 Ų | 236 | 120.8 Ų | 120.8 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | trans | 42.3 | 48.9 | 162.3 | -54 | -174.7 | -171.5 | -177 | 2.9 | 114.5 | N116 S120 | N116-R118 PolarHBondContact O-N 2.91Å; R118-S120 VanDerWaalsContact C-N 3.27Å; R118-S120 PolarHBondContact O-N 2.86Å | ||
| 119 | T | 52.6 | Low | 62.2 | Low | 86 Ų | 86 | 117 Ų | 117 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | trans | -85.5 | 70.7 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | K117 R123 | K117-T119 VanDerWaalsContact C-N 3.3Å; K117-T119 PolarHBondContact O-N 2.83Å; T119-R123 PolarHBondContact O-NH2 3.17Å; T119-R123 VanDerWaalsContact O-NH2 3.13Å | ||
| 120 | S | 49 | Very low | 64.8 | Low | 104 Ų | 104 | 116 Ų | 116 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -149 | 133.6 | 175.1 | -169 | 0 | 0 | 0 | 0 | 105.6 | R118 | R118-S120 VanDerWaalsContact C-N 3.27Å; R118-S120 PolarHBondContact O-N 2.86Å | ||
| 121 | S | 56.1 | Low | 67 | Low | 105 Ų | 105 | 110.4 Ų | 110.4 | 73% | 0.734 | 59% | 0.586 | S | S | * | * | S | Bend | -136.3 | -8.7 | 59.2 | 172.6 | 0 | 0 | 0 | 0 | 116.2 | |||
| 122 | R | 58.2 | Low | 69.6 | Low | 240 Ų | 240 | 108.2 Ų | 108.2 | 91% | 0.906 | 56% | 0.563 | S | S | * | * | trans | -133.8 | 104.5 | 179.6 | -61.3 | -171.1 | -172.2 | -146.6 | -0.1 | 110.8 | ||||
| 123 | R | 77.9 | Confident | 72.2 | Confident | 155 Ų | 155 | 103.4 Ų | 103.4 | 59% | 0.585 | 54% | 0.537 | S | S | * | . | trans | -86.7 | 153 | 165.1 | -63.8 | 177.1 | 179.2 | 163.1 | 4.1 | 107.9 | T119 N128 | T119-R123 PolarHBondContact O-NH2 3.17Å; T119-R123 VanDerWaalsContact O-NH2 3.13Å; R123-N128 WeakPolarHBondContact CD-OD1 3.48Å; R123-N128 WeakPolarHBondContact CG-OD1 3.14Å; R123-N128 PolarHBondContact NE-OD1 3.27Å | ||
| 124 | N | 89.2 | Confident | 74.6 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 161.7 | 173 | -58.8 | -49 | 0 | 0 | 0 | 109.6 | W126 G127 L129 | N124-W126 HydrophobicContact CB-CD2 3.54Å; N124-W126 HydrophobicContact CB-CE3 3.93Å; N124-W126 HydrophobicContact CB-CG 4.07Å; N124-W126 HydrophobicContact CB-CH2 3.84Å; N124-W126 HydrophobicContact CB-CZ2 3.46Å; N124-W126 VanDerWaalsContact CB-CZ2 3.46Å; N124-W126 HydrophobicContact CB-CZ3 4.06Å; N124-W126 WeakPolarHBondContact ND2-CZ2 3.39Å; N124-W126 PolarHBondContact O-N 2.86Å; N124-W126 VanDerWaalsContact O-N 3.16Å; N124-G127 WeakPolarHBondContact CB-O 3.4Å; N124-G127 PolarHBondContact N-O 3.44Å; N124-G127 WeakPolarHBondContact O-CA 3.38Å; N124-G127 PolarHBondContact O-N 3.41Å; N124-L129 PolarHBondContact ND2-O 3.15Å |
| 125 | A | 91.5 | Very high | 76.9 | Confident | 73 Ų | 73 | 91.2 Ų | 91.2 | 60% | 0.603 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y162 | A125-Y162 HydrophobicContact CB-CD1 4.32Å; A125-Y162 HydrophobicContact CB-CD2 3.66Å; A125-Y162 HydrophobicContact CB-CE1 4.11Å; A125-Y162 HydrophobicContact CB-CE2 3.42Å; A125-Y162 VanDerWaalsContact CB-CE2 3.42Å; A125-Y162 HydrophobicContact CB-CG 4.12Å |
| 126 | W | 93.2 | Very high | 79.3 | Confident | 50 Ų | 50 | 86.6 Ų | 86.6 | 19% | 0.189 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 8.1 | 171.7 | 61.1 | 83.2 | 0 | 0 | 0 | 114.5 | N124 L129 Y131 L134 V160 Y162 F163 | N124-W126 HydrophobicContact CB-CD2 3.54Å; N124-W126 HydrophobicContact CB-CE3 3.93Å; N124-W126 HydrophobicContact CB-CG 4.07Å; N124-W126 HydrophobicContact CB-CH2 3.84Å; N124-W126 HydrophobicContact CB-CZ2 3.46Å; N124-W126 VanDerWaalsContact CB-CZ2 3.46Å; N124-W126 HydrophobicContact CB-CZ3 4.06Å; N124-W126 WeakPolarHBondContact ND2-CZ2 3.39Å; N124-W126 PolarHBondContact O-N 2.86Å; N124-W126 VanDerWaalsContact O-N 3.16Å; W126-L129 PolarHBondContact NE1-O 2.86Å; W126-Y131 HydrophobicContact CH2-CD2 4.31Å; W126-Y131 AromaticContact CH2-CE1 3.97Å; W126-Y131 HydrophobicContact CH2-CE1 3.97Å; W126-Y131 AromaticContact CH2-CE2 3.49Å; W126-Y131 HydrophobicContact CH2-CE2 3.49Å; W126-Y131 VanDerWaalsContact CH2-CE2 3.49Å; W126-Y131 AromaticContact CH2-CZ 3.3Å; W126-Y131 VanDerWaalsContact CH2-OH 3.29Å; W126-Y131 WeakPolarHBondContact CH2-OH 3.45Å; W126-Y131 HydrophobicContact CZ2-CD1 4.26Å; W126-Y131 HydrophobicContact CZ2-CD2 4.06Å; W126-Y131 AromaticContact CZ2-CE1 3.92Å; W126-Y131 HydrophobicContact CZ2-CE1 3.92Å; W126-Y131 AromaticContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CG 4.34Å; W126-Y131 AromaticContact CZ2-CZ 3.63Å; W126-Y131 HydrophobicContact CZ3-CE1 4.46Å; W126-Y131 HydrophobicContact CZ3-CE2 4.5Å; W126-Y131 AromaticContact CZ3-CZ 3.92Å; W126-Y131 WeakPolarHBondContact CZ3-OH 3.15Å; W126-L134 HydrophobicContact CG-CD1 4.26Å; W126-V160 HydrophobicContact CB-CG1 3.56Å; W126-V160 HydrophobicContact CG-CG1 4.47Å; W126-Y162 HydrophobicContact CB-CD1 4.24Å; W126-Y162 HydrophobicContact CB-CG 4.36Å; W126-Y162 AromaticContact CE3-CD1 3.86Å; W126-Y162 HydrophobicContact CE3-CD1 3.86Å; W126-Y162 AromaticContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CZ3-CE1 4.41Å; W126-F163 HydrophobicContact CB-CE2 4.41Å; W126-F163 HydrophobicContact CD2-CE2 4.28Å; W126-F163 HydrophobicContact CD2-CZ 4.13Å; W126-F163 HydrophobicContact CE3-CE2 4.3Å; W126-F163 AromaticContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CG-CE2 4.36Å; W126-F163 HydrophobicContact CZ3-CZ 4.18Å |
| 127 | G | 93.4 | Very high | 82 | Confident | 25 Ų | 25 | 83.7 Ų | 83.7 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | 105.9 | -149.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N124 | N124-G127 WeakPolarHBondContact CB-O 3.4Å; N124-G127 PolarHBondContact N-O 3.44Å; N124-G127 WeakPolarHBondContact O-CA 3.38Å; N124-G127 PolarHBondContact O-N 3.41Å |
| 128 | N | 93.9 | Very high | 84.2 | Confident | 109 Ų | 109 | 75 Ų | 75 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -83 | -9.3 | -169.6 | -65.1 | -63.2 | 0 | 0 | 0 | 115.1 | R123 | R123-N128 WeakPolarHBondContact CD-OD1 3.48Å; R123-N128 WeakPolarHBondContact CG-OD1 3.14Å; R123-N128 PolarHBondContact NE-OD1 3.27Å |
| 129 | L | 94.1 | Very high | 86.7 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | trans | -87.4 | 140.7 | -172 | -63 | 173.4 | 0 | 0 | 0 | 111.3 | N124 W126 D133 L134 | N124-L129 PolarHBondContact ND2-O 3.15Å; W126-L129 PolarHBondContact NE1-O 2.86Å; L129-D133 HydrophobicContact CB-CB 4.18Å; L129-D133 HydrophobicContact CD2-CB 4.04Å; L129-L134 HydrophobicContact CB-CD2 4.06Å; L129-L134 HydrophobicContact CB-CG 4.09Å; L129-L134 HydrophobicContact CD1-CD2 3.66Å | ||
| 130 | S | 95.3 | Very high | 88.8 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | trans | -72.9 | 160.8 | 166.9 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | A132 D133 L134 | S130-A132 PolarHBondContact O-N 3.02Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 2.93Å; S130-D133 PolarHBondContact O-N 2.78Å; S130-L134 PolarHBondContact O-N 2.98Å | ||
| 131 | Y | 97.6 | Very high | 91 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.3 | -39.8 | 168.3 | -77.3 | -60.7 | 0 | 0 | 0 | 111.5 | W126 D133 L134 I135 F163 S178 I179 N182 | W126-Y131 HydrophobicContact CH2-CD2 4.31Å; W126-Y131 AromaticContact CH2-CE1 3.97Å; W126-Y131 HydrophobicContact CH2-CE1 3.97Å; W126-Y131 AromaticContact CH2-CE2 3.49Å; W126-Y131 HydrophobicContact CH2-CE2 3.49Å; W126-Y131 VanDerWaalsContact CH2-CE2 3.49Å; W126-Y131 AromaticContact CH2-CZ 3.3Å; W126-Y131 VanDerWaalsContact CH2-OH 3.29Å; W126-Y131 WeakPolarHBondContact CH2-OH 3.45Å; W126-Y131 HydrophobicContact CZ2-CD1 4.26Å; W126-Y131 HydrophobicContact CZ2-CD2 4.06Å; W126-Y131 AromaticContact CZ2-CE1 3.92Å; W126-Y131 HydrophobicContact CZ2-CE1 3.92Å; W126-Y131 AromaticContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CE2 3.69Å; W126-Y131 HydrophobicContact CZ2-CG 4.34Å; W126-Y131 AromaticContact CZ2-CZ 3.63Å; W126-Y131 HydrophobicContact CZ3-CE1 4.46Å; W126-Y131 HydrophobicContact CZ3-CE2 4.5Å; W126-Y131 AromaticContact CZ3-CZ 3.92Å; W126-Y131 WeakPolarHBondContact CZ3-OH 3.15Å; Y131-D133 VanDerWaalsContact C-N 3.3Å; Y131-D133 PolarHBondContact O-N 3.03Å; Y131-L134 PolarHBondContact O-N 2.96Å; Y131-I135 WeakPolarHBondContact O-CB 3.41Å; Y131-I135 WeakPolarHBondContact O-CD1 3.36Å; Y131-I135 WeakPolarHBondContact O-CG1 3.27Å; Y131-I135 PolarHBondContact O-N 3.38Å; Y131-F163 HydrophobicContact CE1-CE2 4.46Å; Y131-F163 AromaticContact CE1-CZ 3.98Å; Y131-F163 HydrophobicContact CE1-CZ 3.98Å; Y131-S178 VanDerWaalsContact CE2-OG 3.27Å; Y131-S178 WeakPolarHBondContact CE2-OG 3.4Å; Y131-S178 PolarHBondContact OH-OG 3.19Å; Y131-I179 HydrophobicContact CD1-CD1 3.59Å; Y131-I179 HydrophobicContact CD1-CG1 4.48Å; Y131-I179 HydrophobicContact CE1-CD1 4.2Å; Y131-I179 HydrophobicContact CG-CD1 4.32Å; Y131-N182 WeakPolarHBondContact CB-OD1 3.45Å |
| 132 | A | 96.8 | Very high | 93 | Very high | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -35.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S130 T136 N182 F189 | S130-A132 PolarHBondContact O-N 3.02Å; A132-T136 WeakPolarHBondContact O-CB 3.18Å; A132-T136 PolarHBondContact O-N 2.78Å; A132-T136 PolarHBondContact O-OG1 2.72Å; A132-N182 PolarHBondContact N-OD1 2.85Å; A132-F189 HydrophobicContact CB-CE2 4.2Å; A132-F189 HydrophobicContact CB-CZ 4.32Å; A132-F189 WeakPolarHBondContact O-CZ 3.48Å |
| 133 | D | 96.4 | Very high | 94.8 | Very high | 63 Ų | 63 | 52.5 Ų | 52.5 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.8 | -39.3 | 178.9 | -54.7 | -50.4 | 0 | 0 | 0 | 111 | L129 S130 Y131 T136 Q137 | L129-D133 HydrophobicContact CB-CB 4.18Å; L129-D133 HydrophobicContact CD2-CB 4.04Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 2.93Å; S130-D133 PolarHBondContact O-N 2.78Å; Y131-D133 VanDerWaalsContact C-N 3.3Å; Y131-D133 PolarHBondContact O-N 3.03Å; D133-T136 WeakPolarHBondContact O-CB 3.5Å; D133-T136 PolarHBondContact O-N 3.03Å; D133-Q137 WeakPolarHBondContact O-CG 3.29Å; D133-Q137 PolarHBondContact O-N 2.78Å |
| 134 | L | 97.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.5 | -67.2 | 176.3 | 0 | 0 | 0 | 112.1 | W126 L129 S130 Y131 T136 Q137 A138 W155 M156 V160 | W126-L134 HydrophobicContact CG-CD1 4.26Å; L129-L134 HydrophobicContact CB-CD2 4.06Å; L129-L134 HydrophobicContact CB-CG 4.09Å; L129-L134 HydrophobicContact CD1-CD2 3.66Å; S130-L134 PolarHBondContact O-N 2.98Å; Y131-L134 PolarHBondContact O-N 2.96Å; L134-T136 VanDerWaalsContact C-N 3.29Å; L134-T136 PolarHBondContact O-N 3.32Å; L134-Q137 PolarHBondContact O-N 3.43Å; L134-A138 WeakPolarHBondContact O-CB 3.49Å; L134-A138 PolarHBondContact O-N 3.45Å; L134-W155 HydrophobicContact CB-CZ3 4.37Å; L134-W155 HydrophobicContact CD2-CZ3 4.38Å; L134-W155 WeakPolarHBondContact O-CZ3 3.4Å; L134-M156 HydrophobicContact CB-CE 3.54Å; L134-M156 HydrophobicContact CB-SD 3.8Å; L134-M156 HydrophobicContact CD1-SD 4Å; L134-M156 HydrophobicContact CG-SD 4.49Å; L134-V160 HydrophobicContact CD1-CG2 4.33Å; L134-V160 HydrophobicContact CD2-CG2 3.84Å |
| 135 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 173.8 | -67.6 | 161.2 | 0 | 0 | 0 | 110.4 | Y131 A138 I139 I152 M156 I179 N182 L183 F189 | Y131-I135 WeakPolarHBondContact O-CB 3.41Å; Y131-I135 WeakPolarHBondContact O-CD1 3.36Å; Y131-I135 WeakPolarHBondContact O-CG1 3.27Å; Y131-I135 PolarHBondContact O-N 3.38Å; I135-A138 WeakPolarHBondContact O-CB 3.24Å; I135-A138 PolarHBondContact O-N 3.21Å; I135-I139 HydrophobicContact CG2-CD1 3.84Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.13Å; I135-I152 HydrophobicContact CG1-CG2 4.26Å; I135-M156 HydrophobicContact CG1-CE 3.81Å; I135-I179 HydrophobicContact CD1-CD1 3.96Å; I135-I179 HydrophobicContact CD1-CG2 4.26Å; I135-I179 HydrophobicContact CG1-CD1 3.93Å; I135-I179 HydrophobicContact CG1-CG2 4.47Å; I135-N182 HydrophobicContact CD1-CB 3.64Å; I135-L183 HydrophobicContact CD1-CD2 4.38Å; I135-L183 HydrophobicContact CD1-CG 4.2Å; I135-L183 HydrophobicContact CG2-CD2 3.67Å; I135-F189 HydrophobicContact CB-CE1 4.25Å; I135-F189 HydrophobicContact CB-CE2 4.48Å; I135-F189 HydrophobicContact CB-CZ 3.92Å; I135-F189 HydrophobicContact CG2-CD1 3.99Å; I135-F189 HydrophobicContact CG2-CE1 3.54Å; I135-F189 HydrophobicContact CG2-CE2 4.14Å; I135-F189 HydrophobicContact CG2-CG 4.48Å; I135-F189 HydrophobicContact CG2-CZ 3.62Å |
| 136 | T | 97 | Very high | 96.1 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | A132 D133 L134 L140 R188 I205 | A132-T136 WeakPolarHBondContact O-CB 3.18Å; A132-T136 PolarHBondContact O-N 2.78Å; A132-T136 PolarHBondContact O-OG1 2.72Å; D133-T136 WeakPolarHBondContact O-CB 3.5Å; D133-T136 PolarHBondContact O-N 3.03Å; L134-T136 VanDerWaalsContact C-N 3.29Å; L134-T136 PolarHBondContact O-N 3.32Å; T136-L140 HydrophobicContact CG2-CD1 3.88Å; T136-L140 HydrophobicContact CG2-CG 4.34Å; T136-L140 VanDerWaalsContact O-CB 3.32Å; T136-L140 WeakPolarHBondContact O-CB 3.49Å; T136-L140 VanDerWaalsContact O-CG 3.24Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 2.96Å; T136-R188 VanDerWaalsContact OG1-CZ 3.32Å; T136-R188 PolarHBondContact OG1-NH1 2.92Å; T136-I205 HydrophobicContact CG2-CD1 3.86Å |
| 137 | Q | 97.4 | Very high | 96.3 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176.4 | -71 | 175.5 | 13.8 | 0 | 0 | 112.4 | D133 L134 L140 S141 W155 | D133-Q137 WeakPolarHBondContact O-CG 3.29Å; D133-Q137 PolarHBondContact O-N 2.78Å; L134-Q137 PolarHBondContact O-N 3.43Å; Q137-L140 PolarHBondContact O-N 2.96Å; Q137-S141 WeakPolarHBondContact O-CB 3.42Å; Q137-S141 PolarHBondContact O-N 2.78Å; Q137-W155 HydrophobicContact CB-CH2 3.67Å; Q137-W155 HydrophobicContact CB-CZ2 3.85Å |
| 138 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.1 | -57 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L134 I135 L140 S141 A142 L147 W155 | L134-A138 WeakPolarHBondContact O-CB 3.49Å; L134-A138 PolarHBondContact O-N 3.45Å; I135-A138 WeakPolarHBondContact O-CB 3.24Å; I135-A138 PolarHBondContact O-N 3.21Å; A138-L140 PolarHBondContact O-N 3.27Å; A138-S141 PolarHBondContact O-N 2.98Å; A138-S141 VanDerWaalsContact O-N 3.16Å; A138-S141 PolarHBondContact O-OG 3.38Å; A138-A142 PolarHBondContact O-N 3.07Å; A138-L147 HydrophobicContact CB-CD1 3.98Å; A138-L147 WeakPolarHBondContact O-CD1 3.19Å; A138-W155 VanDerWaalsContact CA-CE2 3.48Å; A138-W155 HydrophobicContact CB-CB 4.11Å; A138-W155 HydrophobicContact CB-CD2 3.45Å; A138-W155 VanDerWaalsContact CB-CD2 3.45Å; A138-W155 HydrophobicContact CB-CE3 3.64Å; A138-W155 HydrophobicContact CB-CG 3.65Å; A138-W155 HydrophobicContact CB-CZ3 4.27Å |
| 139 | I | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | -177.8 | -62.8 | 170.4 | 0 | 0 | 0 | 111.2 | I135 S141 A142 K145 I152 F189 W203 I205 | I135-I139 HydrophobicContact CG2-CD1 3.84Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.13Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.86Å; I139-A142 WeakPolarHBondContact O-CB 3.44Å; I139-A142 PolarHBondContact O-N 3.38Å; I139-K145 WeakPolarHBondContact CG2-O 3.42Å; I139-I152 HydrophobicContact CD1-CD1 4.45Å; I139-I152 HydrophobicContact CG1-CD1 4.46Å; I139-F189 HydrophobicContact CD1-CD1 4.15Å; I139-F189 HydrophobicContact CD1-CE1 4.43Å; I139-W203 HydrophobicContact CD1-CB 4.32Å; I139-I205 HydrophobicContact CB-CD1 3.88Å; I139-I205 HydrophobicContact CB-CG1 4.1Å; I139-I205 HydrophobicContact CD1-CG1 4.26Å; I139-I205 HydrophobicContact CG2-CD1 3.83Å; I139-I205 HydrophobicContact CG2-CG1 3.87Å |
| 140 | L | 96.5 | Very high | 96.7 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.8 | -28.1 | 175.3 | -72.7 | 178.2 | 0 | 0 | 0 | 113.7 | T136 Q137 A138 A142 K145 I205 | T136-L140 HydrophobicContact CG2-CD1 3.88Å; T136-L140 HydrophobicContact CG2-CG 4.34Å; T136-L140 VanDerWaalsContact O-CB 3.32Å; T136-L140 WeakPolarHBondContact O-CB 3.49Å; T136-L140 VanDerWaalsContact O-CG 3.24Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 2.96Å; Q137-L140 PolarHBondContact O-N 2.96Å; A138-L140 PolarHBondContact O-N 3.27Å; L140-A142 VanDerWaalsContact C-N 3.31Å; L140-K145 HydrophobicContact CD2-CD 4.47Å; L140-K145 PolarHBondContact O-NZ 2.91Å; L140-I205 HydrophobicContact CD2-CD1 3.84Å; L140-I205 HydrophobicContact CG-CD1 3.67Å |
| 141 | S | 96.9 | Very high | 96.8 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 51% | 0.51 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -73.2 | -22.3 | 176.8 | 76.3 | 0 | 0 | 0 | 0 | 113.3 | Q137 A138 I139 W155 | Q137-S141 WeakPolarHBondContact O-CB 3.42Å; Q137-S141 PolarHBondContact O-N 2.78Å; A138-S141 PolarHBondContact O-N 2.98Å; A138-S141 VanDerWaalsContact O-N 3.16Å; A138-S141 PolarHBondContact O-OG 3.38Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.86Å; S141-W155 PolarHBondContact OG-NE1 2.9Å |
| 142 | A | 96.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 47 Ų | 47 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -67.8 | 143.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A138 I139 L140 K145 L147 | A138-A142 PolarHBondContact O-N 3.07Å; I139-A142 WeakPolarHBondContact O-CB 3.44Å; I139-A142 PolarHBondContact O-N 3.38Å; L140-A142 VanDerWaalsContact C-N 3.31Å; A142-K145 WeakPolarHBondContact O-CD 3.37Å; A142-K145 PolarHBondContact O-N 3.4Å; A142-K145 PolarHBondContact O-NZ 2.98Å; A142-L147 HydrophobicContact CB-CD2 3.73Å; A142-L147 HydrophobicContact CB-CG 3.99Å |
| 143 | P | 96.4 | Very high | 96.8 | Very high | 123 Ų | 123 | 48.5 Ų | 48.5 | 80% | 0.799 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -44.9 | 175 | 24.3 | -31.8 | 0 | 0 | 0 | 111.2 | K145 | P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 2.86Å |
| 144 | E | 94.7 | Very high | 96.8 | Very high | 115 Ų | 115 | 49.8 Ų | 49.8 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 2.6 | -178.1 | -56.3 | -172.5 | 153.6 | 0 | 0 | 114.5 | R146 | E144-R146 HydrophobicContact CB-CG 3.82Å; E144-R146 VanDerWaalsContact CD-NH2 3.31Å; E144-R146 PolarHBondContact O-N 3.16Å; E144-R146 IonicContact OE1-NH2 3.53Å; E144-R146 PolarHBondContact OE1-NH2 2.91Å; E144-R146 IonicContact OE2-CZ 3.21Å; E144-R146 IonicContact OE2-NE 2.79Å; E144-R146 PolarHBondContact OE2-NE 3.36Å; E144-R146 IonicContact OE2-NH2 3.18Å; E144-R146 PolarHBondContact OE2-NH2 3.31Å |
| 145 | K | 95.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 51.4 | 27.4 | -175 | -50.6 | -58.5 | 165.9 | -143.3 | 0 | 115 | I139 L140 A142 P143 | I139-K145 WeakPolarHBondContact CG2-O 3.42Å; L140-K145 HydrophobicContact CD2-CD 4.47Å; L140-K145 PolarHBondContact O-NZ 2.91Å; A142-K145 WeakPolarHBondContact O-CD 3.37Å; A142-K145 PolarHBondContact O-N 3.4Å; A142-K145 PolarHBondContact O-NZ 2.98Å; P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 2.86Å |
| 146 | R | 96.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.8 | 174.6 | 65.6 | -176.6 | 179 | -173.9 | -4.8 | 110.2 | E144 W202 W203 V204 | E144-R146 HydrophobicContact CB-CG 3.82Å; E144-R146 VanDerWaalsContact CD-NH2 3.31Å; E144-R146 PolarHBondContact O-N 3.16Å; E144-R146 IonicContact OE1-NH2 3.53Å; E144-R146 PolarHBondContact OE1-NH2 2.91Å; E144-R146 IonicContact OE2-CZ 3.21Å; E144-R146 IonicContact OE2-NE 2.79Å; E144-R146 PolarHBondContact OE2-NE 3.36Å; E144-R146 IonicContact OE2-NH2 3.18Å; E144-R146 PolarHBondContact OE2-NH2 3.31Å; R146-W202 HydrophobicContact CB-CB 4.4Å; R146-W202 HydrophobicContact CB-CE3 4.12Å; R146-W202 HydrophobicContact CG-CD2 4.09Å; R146-W202 HydrophobicContact CG-CE3 3.73Å; R146-W202 HydrophobicContact CG-CZ3 4.16Å; R146-W203 WeakPolarHBondContact CA-O 3.36Å; R146-V204 HydrophobicContact CB-CG2 3.62Å |
| 147 | L | 97.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.2 | 172.8 | -71.2 | -178.8 | 0 | 0 | 0 | 110.4 | A138 A142 Q151 I152 W203 | A138-L147 HydrophobicContact CB-CD1 3.98Å; A138-L147 WeakPolarHBondContact O-CD1 3.19Å; A142-L147 HydrophobicContact CB-CD2 3.73Å; A142-L147 HydrophobicContact CB-CG 3.99Å; L147-Q151 HydrophobicContact CB-CB 4.15Å; L147-Q151 HydrophobicContact CD2-CB 3.94Å; L147-Q151 HydrophobicContact CG-CB 4.45Å; L147-I152 HydrophobicContact CB-CD1 4.42Å; L147-I152 HydrophobicContact CB-CG1 3.86Å; L147-I152 HydrophobicContact CD1-CG1 4.1Å; L147-W203 PolarHBondContact N-O 3.05Å; L147-W203 PolarHBondContact O-N 2.96Å |
| 148 | T | 97.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 163.9 | 167.2 | 72.9 | 0 | 0 | 0 | 0 | 110.7 | S150 Q151 I152 W202 | T148-S150 PolarHBondContact O-N 2.88Å; T148-Q151 PolarHBondContact O-N 2.9Å; T148-Q151 VanDerWaalsContact O-N 3.14Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 2.84Å; T148-I152 PolarHBondContact O-N 3.16Å; T148-I152 VanDerWaalsContact O-N 3.1Å; T148-W202 HydrophobicContact CG2-CD2 4.29Å; T148-W202 HydrophobicContact CG2-CE3 3.79Å; T148-W202 HydrophobicContact CG2-CH2 4.08Å; T148-W202 HydrophobicContact CG2-CZ3 3.68Å |
| 149 | L | 97.2 | Very high | 96.4 | Very high | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 177.6 | -179.9 | 60.6 | 0 | 0 | 0 | 113 | I152 Y153 I179 R180 L183 | L149-I152 PolarHBondContact O-N 3.3Å; L149-Y153 HydrophobicContact CD1-CE1 3.84Å; L149-Y153 HydrophobicContact CG-CE1 4.26Å; L149-Y153 HydrophobicContact CG-CE2 4.03Å; L149-Y153 PolarHBondContact O-N 3.02Å; L149-I179 HydrophobicContact CD1-CG2 4.25Å; L149-R180 HydrophobicContact CD1-CG 4.07Å; L149-R180 HydrophobicContact CD2-CG 3.98Å; L149-L183 HydrophobicContact CD1-CD1 3.66Å |
| 150 | S | 95.2 | Very high | 96.3 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 175.5 | -161.4 | 0 | 0 | 0 | 0 | 111 | T148 I152 Y153 D154 | T148-S150 PolarHBondContact O-N 2.88Å; S150-I152 PolarHBondContact O-N 2.98Å; S150-I152 VanDerWaalsContact O-N 3.15Å; S150-Y153 WeakPolarHBondContact O-CA 3.41Å; S150-Y153 VanDerWaalsContact O-CB 3.29Å; S150-Y153 WeakPolarHBondContact O-CB 3.42Å; S150-Y153 PolarHBondContact O-N 2.87Å; S150-D154 PolarHBondContact O-N 3.23Å |
| 151 | Q | 97 | Very high | 96.1 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -27.7 | -179.4 | -66.3 | 170.6 | -38.3 | 0 | 0 | 112.9 | L147 T148 D154 W155 | L147-Q151 HydrophobicContact CB-CB 4.15Å; L147-Q151 HydrophobicContact CD2-CB 3.94Å; L147-Q151 HydrophobicContact CG-CB 4.45Å; T148-Q151 PolarHBondContact O-N 2.9Å; T148-Q151 VanDerWaalsContact O-N 3.14Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 2.84Å; Q151-D154 WeakPolarHBondContact CA-OD2 3.49Å; Q151-W155 VanDerWaalsContact O-CB 3.27Å; Q151-W155 WeakPolarHBondContact O-CB 3.35Å; Q151-W155 PolarHBondContact O-N 3.33Å |
| 152 | I | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 171.1 | -65.2 | 169.8 | 0 | 0 | 0 | 110.7 | I135 I139 L147 T148 L149 S150 M156 I179 L183 W203 | I135-I152 HydrophobicContact CG1-CG2 4.26Å; I139-I152 HydrophobicContact CD1-CD1 4.45Å; I139-I152 HydrophobicContact CG1-CD1 4.46Å; L147-I152 HydrophobicContact CB-CD1 4.42Å; L147-I152 HydrophobicContact CB-CG1 3.86Å; L147-I152 HydrophobicContact CD1-CG1 4.1Å; T148-I152 PolarHBondContact O-N 3.16Å; T148-I152 VanDerWaalsContact O-N 3.1Å; L149-I152 PolarHBondContact O-N 3.3Å; S150-I152 PolarHBondContact O-N 2.98Å; S150-I152 VanDerWaalsContact O-N 3.15Å; I152-M156 HydrophobicContact CG2-CE 4.1Å; I152-M156 WeakPolarHBondContact O-CG 3.4Å; I152-M156 PolarHBondContact O-N 2.94Å; I152-M156 VanDerWaalsContact O-N 3.12Å; I152-I179 HydrophobicContact CG2-CG2 3.83Å; I152-L183 HydrophobicContact CD1-CD1 4.22Å; I152-L183 HydrophobicContact CD1-CD2 4.25Å; I152-W203 HydrophobicContact CD1-CB 4.03Å; I152-W203 HydrophobicContact CD1-CG 4.36Å |
| 153 | Y | 96.3 | Very high | 95.7 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 14% | 0.137 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 172.2 | -54.9 | -35.6 | 0 | 0 | 0 | 111.1 | L149 S150 W155 M156 V157 W175 K176 I179 R180 | L149-Y153 HydrophobicContact CD1-CE1 3.84Å; L149-Y153 HydrophobicContact CG-CE1 4.26Å; L149-Y153 HydrophobicContact CG-CE2 4.03Å; L149-Y153 PolarHBondContact O-N 3.02Å; S150-Y153 WeakPolarHBondContact O-CA 3.41Å; S150-Y153 VanDerWaalsContact O-CB 3.29Å; S150-Y153 WeakPolarHBondContact O-CB 3.42Å; S150-Y153 PolarHBondContact O-N 2.87Å; Y153-W155 VanDerWaalsContact C-N 3.28Å; Y153-W155 PolarHBondContact O-N 3.26Å; Y153-M156 WeakPolarHBondContact O-CB 3.29Å; Y153-M156 PolarHBondContact O-N 3.19Å; Y153-M156 VanDerWaalsContact O-N 3.09Å; Y153-V157 WeakPolarHBondContact O-CG2 3.39Å; Y153-V157 PolarHBondContact O-N 2.81Å; Y153-V157 VanDerWaalsContact O-N 3.12Å; Y153-W175 HydrophobicContact CD1-CH2 4.28Å; Y153-W175 AromaticContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CG-CH2 4.39Å; Y153-W175 HydrophobicContact CG-CZ3 4.45Å; Y153-K176 HydrophobicContact CD1-CB 4.27Å; Y153-K176 HydrophobicContact CD1-CD 4.49Å; Y153-K176 HydrophobicContact CD1-CG 3.86Å; Y153-K176 HydrophobicContact CD2-CD 4.29Å; Y153-K176 HydrophobicContact CE1-CB 3.71Å; Y153-K176 HydrophobicContact CE1-CG 3.83Å; Y153-K176 HydrophobicContact CE2-CD 4.35Å; Y153-K176 HydrophobicContact CE2-CG 4.49Å; Y153-K176 HydrophobicContact CG-CD 4.36Å; Y153-K176 HydrophobicContact CG-CG 4.21Å; Y153-I179 HydrophobicContact CD1-CG2 4.36Å; Y153-I179 HydrophobicContact CE1-CB 4.23Å; Y153-I179 HydrophobicContact CE1-CG2 4.07Å; Y153-R180 PolarHBondContact OH-NH1 3.44Å |
| 154 | D | 95.7 | Very high | 95.4 | Very high | 91 Ų | 91 | 61.6 Ų | 61.6 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | -179.1 | -48.6 | -30.5 | 0 | 0 | 0 | 111.3 | S150 Q151 K158 | S150-D154 PolarHBondContact O-N 3.23Å; Q151-D154 WeakPolarHBondContact CA-OD2 3.49Å; D154-K158 WeakPolarHBondContact O-CB 3.41Å; D154-K158 PolarHBondContact O-N 3.46Å; D154-K158 VanDerWaalsContact O-N 3.07Å |
| 155 | W | 97.4 | Very high | 95 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 174.8 | -173.2 | 99.3 | 0 | 0 | 0 | 112.4 | L134 Q137 A138 S141 Q151 Y153 K158 N159 V160 | L134-W155 HydrophobicContact CB-CZ3 4.37Å; L134-W155 HydrophobicContact CD2-CZ3 4.38Å; L134-W155 WeakPolarHBondContact O-CZ3 3.4Å; Q137-W155 HydrophobicContact CB-CH2 3.67Å; Q137-W155 HydrophobicContact CB-CZ2 3.85Å; A138-W155 VanDerWaalsContact CA-CE2 3.48Å; A138-W155 HydrophobicContact CB-CB 4.11Å; A138-W155 HydrophobicContact CB-CD2 3.45Å; A138-W155 VanDerWaalsContact CB-CD2 3.45Å; A138-W155 HydrophobicContact CB-CE3 3.64Å; A138-W155 HydrophobicContact CB-CG 3.65Å; A138-W155 HydrophobicContact CB-CZ3 4.27Å; S141-W155 PolarHBondContact OG-NE1 2.9Å; Q151-W155 VanDerWaalsContact O-CB 3.27Å; Q151-W155 WeakPolarHBondContact O-CB 3.35Å; Q151-W155 PolarHBondContact O-N 3.33Å; Y153-W155 VanDerWaalsContact C-N 3.28Å; Y153-W155 PolarHBondContact O-N 3.26Å; W155-K158 PolarHBondContact O-N 3.3Å; W155-N159 VanDerWaalsContact CD1-ND2 3.26Å; W155-N159 HydrophobicContact CD2-CB 4.16Å; W155-N159 HydrophobicContact CE3-CB 4.31Å; W155-N159 HydrophobicContact CH2-CB 4.09Å; W155-N159 HydrophobicContact CZ2-CB 3.94Å; W155-N159 HydrophobicContact CZ3-CB 4.28Å; W155-N159 PolarHBondContact NE1-ND2 3.02Å; W155-N159 WeakPolarHBondContact O-CB 3.47Å; W155-N159 PolarHBondContact O-N 2.67Å; W155-N159 PolarHBondContact O-ND2 2.98Å; W155-V160 HydrophobicContact CZ3-CG2 4.16Å |
| 156 | M | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -50 | 178.9 | -65.2 | -83.5 | 165.7 | 0 | 0 | 110.5 | L134 I135 I152 Y153 K158 V160 F163 W175 I179 | L134-M156 HydrophobicContact CB-CE 3.54Å; L134-M156 HydrophobicContact CB-SD 3.8Å; L134-M156 HydrophobicContact CD1-SD 4Å; L134-M156 HydrophobicContact CG-SD 4.49Å; I135-M156 HydrophobicContact CG1-CE 3.81Å; I152-M156 HydrophobicContact CG2-CE 4.1Å; I152-M156 WeakPolarHBondContact O-CG 3.4Å; I152-M156 PolarHBondContact O-N 2.94Å; I152-M156 VanDerWaalsContact O-N 3.12Å; Y153-M156 WeakPolarHBondContact O-CB 3.29Å; Y153-M156 PolarHBondContact O-N 3.19Å; Y153-M156 VanDerWaalsContact O-N 3.09Å; M156-K158 VanDerWaalsContact C-N 3.34Å; M156-K158 PolarHBondContact O-N 2.87Å; M156-V160 VanDerWaalsContact O-CB 3.29Å; M156-V160 WeakPolarHBondContact O-CB 3.48Å; M156-V160 PolarHBondContact O-N 2.82Å; M156-F163 HydrophobicContact CB-CD2 4.2Å; M156-W175 HydrophobicContact CB-CH2 4.24Å; M156-W175 HydrophobicContact CB-CZ3 3.99Å; M156-W175 HydrophobicContact CG-CZ3 4.23Å; M156-I179 HydrophobicContact CE-CD1 3.59Å; M156-I179 HydrophobicContact CG-CD1 4.47Å; M156-I179 HydrophobicContact SD-CD1 4.07Å |
| 157 | V | 95 | Very high | 93.7 | Very high | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 178 | 177.4 | 0 | 0 | 0 | 0 | 111 | Y153 R164 W175 | Y153-V157 WeakPolarHBondContact O-CG2 3.39Å; Y153-V157 PolarHBondContact O-N 2.81Å; Y153-V157 VanDerWaalsContact O-N 3.12Å; V157-R164 WeakPolarHBondContact O-CG 3.14Å; V157-W175 HydrophobicContact CG2-CH2 4.07Å; V157-W175 HydrophobicContact CG2-CZ2 4.04Å |
| 158 | K | 95.5 | Very high | 92.6 | Very high | 157 Ų | 157 | 62.9 Ų | 62.9 | 68% | 0.683 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68 | -48.8 | -177.8 | -173.6 | 173.1 | -176.7 | 173.7 | 0 | 113.4 | D154 W155 M156 R164 | D154-K158 WeakPolarHBondContact O-CB 3.41Å; D154-K158 PolarHBondContact O-N 3.46Å; D154-K158 VanDerWaalsContact O-N 3.07Å; W155-K158 PolarHBondContact O-N 3.3Å; M156-K158 VanDerWaalsContact C-N 3.34Å; M156-K158 PolarHBondContact O-N 2.87Å; K158-R164 PolarHBondContact O-NE 3.28Å; K158-R164 PolarHBondContact O-NH2 2.89Å |
| 159 | N | 96.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -93.1 | -28 | -166.6 | -64 | -87.6 | 0 | 0 | 0 | 113.7 | W155 | W155-N159 VanDerWaalsContact CD1-ND2 3.26Å; W155-N159 HydrophobicContact CD2-CB 4.16Å; W155-N159 HydrophobicContact CE3-CB 4.31Å; W155-N159 HydrophobicContact CH2-CB 4.09Å; W155-N159 HydrophobicContact CZ2-CB 3.94Å; W155-N159 HydrophobicContact CZ3-CB 4.28Å; W155-N159 PolarHBondContact NE1-ND2 3.02Å; W155-N159 WeakPolarHBondContact O-CB 3.47Å; W155-N159 PolarHBondContact O-N 2.67Å; W155-N159 PolarHBondContact O-ND2 2.98Å |
| 160 | V | 94.7 | Very high | 89.9 | Confident | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | trans | -104.5 | 111.6 | -176 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | W126 L134 W155 M156 Y162 F163 | W126-V160 HydrophobicContact CB-CG1 3.56Å; W126-V160 HydrophobicContact CG-CG1 4.47Å; L134-V160 HydrophobicContact CD1-CG2 4.33Å; L134-V160 HydrophobicContact CD2-CG2 3.84Å; W155-V160 HydrophobicContact CZ3-CG2 4.16Å; M156-V160 VanDerWaalsContact O-CB 3.29Å; M156-V160 WeakPolarHBondContact O-CB 3.48Å; M156-V160 PolarHBondContact O-N 2.82Å; V160-Y162 PolarHBondContact O-N 3.16Å; V160-Y162 VanDerWaalsContact O-N 3.08Å; V160-F163 HydrophobicContact CB-CD2 3.86Å; V160-F163 HydrophobicContact CG1-CD2 3.67Å; V160-F163 HydrophobicContact CG1-CE2 4.03Å; V160-F163 PolarHBondContact O-N 2.96Å | ||
| 161 | P | 93.1 | Very high | 88.3 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 59% | 0.591 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -54.9 | -35 | -172.7 | -29.6 | 36.5 | 0 | 0 | 0 | 114.8 | F163 R164 | P161-F163 PolarHBondContact O-N 3.35Å; P161-R164 PolarHBondContact O-N 3.48Å |
| 162 | Y | 92 | Very high | 87 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 38% | 0.376 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -66.1 | -12.6 | 179.1 | 179.3 | -99.3 | 0 | 0 | 0 | 115 | A125 W126 V160 K166 | A125-Y162 HydrophobicContact CB-CD1 4.32Å; A125-Y162 HydrophobicContact CB-CD2 3.66Å; A125-Y162 HydrophobicContact CB-CE1 4.11Å; A125-Y162 HydrophobicContact CB-CE2 3.42Å; A125-Y162 VanDerWaalsContact CB-CE2 3.42Å; A125-Y162 HydrophobicContact CB-CG 4.12Å; W126-Y162 HydrophobicContact CB-CD1 4.24Å; W126-Y162 HydrophobicContact CB-CG 4.36Å; W126-Y162 AromaticContact CE3-CD1 3.86Å; W126-Y162 HydrophobicContact CE3-CD1 3.86Å; W126-Y162 AromaticContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CE3-CE1 3.95Å; W126-Y162 HydrophobicContact CZ3-CE1 4.41Å; V160-Y162 PolarHBondContact O-N 3.16Å; V160-Y162 VanDerWaalsContact O-N 3.08Å; Y162-K166 WeakPolarHBondContact O-CE 3.05Å |
| 163 | F | 92.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -109.5 | 0.8 | 177.7 | -63.5 | -58 | 0 | 0 | 0 | 113.6 | W126 Y131 M156 V160 P161 D165 K166 W175 | W126-F163 HydrophobicContact CB-CE2 4.41Å; W126-F163 HydrophobicContact CD2-CE2 4.28Å; W126-F163 HydrophobicContact CD2-CZ 4.13Å; W126-F163 HydrophobicContact CE3-CE2 4.3Å; W126-F163 AromaticContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CE3-CZ 3.73Å; W126-F163 HydrophobicContact CG-CE2 4.36Å; W126-F163 HydrophobicContact CZ3-CZ 4.18Å; Y131-F163 HydrophobicContact CE1-CE2 4.46Å; Y131-F163 AromaticContact CE1-CZ 3.98Å; Y131-F163 HydrophobicContact CE1-CZ 3.98Å; M156-F163 HydrophobicContact CB-CD2 4.2Å; V160-F163 HydrophobicContact CB-CD2 3.86Å; V160-F163 HydrophobicContact CG1-CD2 3.67Å; V160-F163 HydrophobicContact CG1-CE2 4.03Å; V160-F163 PolarHBondContact O-N 2.96Å; P161-F163 PolarHBondContact O-N 3.35Å; F163-D165 PolarHBondContact O-N 3.26Å; F163-K166 HydrophobicContact CD1-CD 4.47Å; F163-K166 CarbonylContact O-C 3.46Å; F163-K166 PolarHBondContact O-N 3.04Å; F163-W175 HydrophobicContact CD1-CB 4.49Å; F163-W175 HydrophobicContact CD1-CD2 4.03Å; F163-W175 AromaticContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CE1-CB 3.77Å; F163-W175 HydrophobicContact CE1-CD2 4.11Å; F163-W175 AromaticContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CZ-CB 4.39Å |
| 164 | R | 90.1 | Very high | 86 | Confident | 152 Ų | 152 | 72.3 Ų | 72.3 | 57% | 0.574 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -62.7 | -43.2 | -177.3 | -76.6 | 178.1 | 176.9 | 177 | -1.4 | 113.2 | V157 K158 P161 K166 | V157-R164 WeakPolarHBondContact O-CG 3.14Å; K158-R164 PolarHBondContact O-NE 3.28Å; K158-R164 PolarHBondContact O-NH2 2.89Å; P161-R164 PolarHBondContact O-N 3.48Å; R164-K166 PolarHBondContact O-N 3.36Å |
| 165 | D | 87.6 | Confident | 85.9 | Confident | 116 Ų | 116 | 68.9 Ų | 68.9 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -80 | -3.4 | 175.5 | 64.8 | -55.7 | 0 | 0 | 0 | 113 | F163 | F163-D165 PolarHBondContact O-N 3.26Š|
| 166 | K | 86.1 | Confident | 85.8 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -118.5 | 28.1 | -172.5 | -41.8 | -167.5 | -165.8 | -54.3 | 0 | 112.3 | Y162 F163 R164 S172 W175 | Y162-K166 WeakPolarHBondContact O-CE 3.05Å; F163-K166 HydrophobicContact CD1-CD 4.47Å; F163-K166 CarbonylContact O-C 3.46Å; F163-K166 PolarHBondContact O-N 3.04Å; R164-K166 PolarHBondContact O-N 3.36Å; K166-S172 PolarHBondContact O-OG 3.39Å; K166-W175 VanDerWaalsContact O-CZ2 3.27Å; K166-W175 WeakPolarHBondContact O-CZ2 3.2Å; K166-W175 PolarHBondContact O-NE1 3.33Å |
| 167 | G | 78.5 | Confident | 85.8 | Confident | 7 Ų | 7 | 73.7 Ų | 73.7 | 7% | 0.072 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -74.5 | -60.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K176 | G167-K176 PolarHBondContact O-NZ 3.41Š|
| 168 | D | 74.8 | Confident | 85.8 | Confident | 164 Ų | 164 | 73.2 Ų | 73.2 | 88% | 0.877 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -98.4 | -22 | -157 | -48.1 | -64.4 | 0 | 0 | 0 | 114.4 | ||
| 169 | S | 68.8 | Low | 85.9 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 43% | 0.434 | 37% | 0.37 | S | S | . | . | trans | -65.9 | 142.2 | -178.1 | -180 | 0 | 0 | 0 | 0 | 112.8 | S171 S172 | S169-S171 PolarHBondContact O-N 3.37Å; S169-S171 WeakPolarHBondContact OG-CB 3.48Å; S169-S171 PolarHBondContact OG-N 2.93Å; S169-S171 PolarHBondContact OG-OG 3.08Å; S169-S172 WeakPolarHBondContact O-CB 3.47Å; S169-S172 PolarHBondContact O-N 2.96Å; S169-S172 PolarHBondContact O-OG 3.25Å | ||
| 170 | N | 68.1 | Low | 86 | Confident | 144 Ų | 144 | 67 Ų | 67 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -57.8 | -31.9 | 169.7 | -170.3 | 33 | 0 | 0 | 0 | 111.7 | S172 A173 | N170-S172 PolarHBondContact O-N 2.92Å; N170-A173 WeakPolarHBondContact O-CB 3.45Å; N170-A173 PolarHBondContact O-N 2.71Å |
| 171 | S | 60.8 | Low | 86.1 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 76% | 0.762 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -59.6 | -13.5 | 174.8 | -50.2 | 0 | 0 | 0 | 0 | 113.8 | S169 A173 | S169-S171 PolarHBondContact O-N 3.37Å; S169-S171 WeakPolarHBondContact OG-CB 3.48Å; S169-S171 PolarHBondContact OG-N 2.93Å; S169-S171 PolarHBondContact OG-OG 3.08Å; S171-A173 PolarHBondContact O-N 2.99Å; S171-A173 VanDerWaalsContact O-N 3.12Å |
| 172 | S | 71 | Confident | 86.4 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 3% | 0.028 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -63.3 | -9.2 | 169.9 | -52.7 | 0 | 0 | 0 | 0 | 114.2 | K166 S169 N170 G174 W175 K176 | K166-S172 PolarHBondContact O-OG 3.39Å; S169-S172 WeakPolarHBondContact O-CB 3.47Å; S169-S172 PolarHBondContact O-N 2.96Å; S169-S172 PolarHBondContact O-OG 3.25Å; N170-S172 PolarHBondContact O-N 2.92Å; S172-G174 PolarHBondContact O-N 3.45Å; S172-G174 VanDerWaalsContact O-N 3.14Å; S172-W175 PolarHBondContact O-N 3.16Å; S172-K176 WeakPolarHBondContact O-CB 3.5Å; S172-K176 WeakPolarHBondContact O-CG 3.43Å; S172-K176 PolarHBondContact O-N 2.93Å; S172-K176 VanDerWaalsContact O-N 3.07Å |
| 173 | A | 81.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -47.2 | -41 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N170 S171 N177 | N170-A173 WeakPolarHBondContact O-CB 3.45Å; N170-A173 PolarHBondContact O-N 2.71Å; S171-A173 PolarHBondContact O-N 2.99Å; S171-A173 VanDerWaalsContact O-N 3.12Å; A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.78Å |
| 174 | G | 90.5 | Very high | 86.8 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 55% | 0.546 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -56.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | S172 N177 S178 | S172-G174 PolarHBondContact O-N 3.45Å; S172-G174 VanDerWaalsContact O-N 3.14Å; G174-N177 WeakPolarHBondContact O-CB 3.5Å; G174-N177 PolarHBondContact O-N 3.34Å; G174-S178 PolarHBondContact O-N 3.28Å; G174-S178 VanDerWaalsContact O-N 3.13Å; G174-S178 PolarHBondContact O-OG 3.13Å |
| 175 | W | 93.8 | Very high | 87.1 | Confident | 19 Ų | 19 | 65 Ų | 65 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.3 | -37.6 | -178.5 | 74.3 | -103.8 | 0 | 0 | 0 | 111.9 | Y153 M156 V157 F163 K166 S172 N177 S178 I179 | Y153-W175 HydrophobicContact CD1-CH2 4.28Å; Y153-W175 AromaticContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CD1-CZ3 3.9Å; Y153-W175 HydrophobicContact CG-CH2 4.39Å; Y153-W175 HydrophobicContact CG-CZ3 4.45Å; M156-W175 HydrophobicContact CB-CH2 4.24Å; M156-W175 HydrophobicContact CB-CZ3 3.99Å; M156-W175 HydrophobicContact CG-CZ3 4.23Å; V157-W175 HydrophobicContact CG2-CH2 4.07Å; V157-W175 HydrophobicContact CG2-CZ2 4.04Å; F163-W175 HydrophobicContact CD1-CB 4.49Å; F163-W175 HydrophobicContact CD1-CD2 4.03Å; F163-W175 AromaticContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CD1-CG 3.99Å; F163-W175 HydrophobicContact CE1-CB 3.77Å; F163-W175 HydrophobicContact CE1-CD2 4.11Å; F163-W175 AromaticContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CE1-CG 3.76Å; F163-W175 HydrophobicContact CZ-CB 4.39Å; K166-W175 VanDerWaalsContact O-CZ2 3.27Å; K166-W175 WeakPolarHBondContact O-CZ2 3.2Å; K166-W175 PolarHBondContact O-NE1 3.33Å; S172-W175 PolarHBondContact O-N 3.16Å; W175-N177 PolarHBondContact O-N 3.45Å; W175-S178 WeakPolarHBondContact CA-OG 3.18Å; W175-S178 PolarHBondContact O-N 3.14Å; W175-S178 PolarHBondContact O-OG 2.93Å; W175-I179 HydrophobicContact CE3-CG1 4.12Å; W175-I179 HydrophobicContact CZ3-CG1 4.33Å; W175-I179 WeakPolarHBondContact O-CG1 3.45Å; W175-I179 PolarHBondContact O-N 3.43Å; W175-I179 VanDerWaalsContact O-N 3.07Å |
| 176 | K | 95.2 | Very high | 87.5 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 19% | 0.191 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -31.1 | 173.4 | -67 | 178.4 | -177.4 | 171.9 | 0 | 111.3 | Y153 G167 S172 R180 | Y153-K176 HydrophobicContact CD1-CB 4.27Å; Y153-K176 HydrophobicContact CD1-CD 4.49Å; Y153-K176 HydrophobicContact CD1-CG 3.86Å; Y153-K176 HydrophobicContact CD2-CD 4.29Å; Y153-K176 HydrophobicContact CE1-CB 3.71Å; Y153-K176 HydrophobicContact CE1-CG 3.83Å; Y153-K176 HydrophobicContact CE2-CD 4.35Å; Y153-K176 HydrophobicContact CE2-CG 4.49Å; Y153-K176 HydrophobicContact CG-CD 4.36Å; Y153-K176 HydrophobicContact CG-CG 4.21Å; G167-K176 PolarHBondContact O-NZ 3.41Å; S172-K176 WeakPolarHBondContact O-CB 3.5Å; S172-K176 WeakPolarHBondContact O-CG 3.43Å; S172-K176 PolarHBondContact O-N 2.93Å; S172-K176 VanDerWaalsContact O-N 3.07Å; K176-R180 WeakPolarHBondContact O-CG 3.35Å; K176-R180 PolarHBondContact O-N 3.31Å; K176-R180 PolarHBondContact O-NH1 3.45Å |
| 177 | N | 95.6 | Very high | 87.8 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.9 | -44.4 | 172.7 | -163.3 | 44.3 | 0 | 0 | 0 | 112.8 | A173 G174 W175 I179 R180 H181 | A173-N177 WeakPolarHBondContact O-CB 3.46Å; A173-N177 PolarHBondContact O-N 2.78Å; G174-N177 WeakPolarHBondContact O-CB 3.5Å; G174-N177 PolarHBondContact O-N 3.34Å; W175-N177 PolarHBondContact O-N 3.45Å; N177-I179 PolarHBondContact O-N 2.75Å; N177-R180 PolarHBondContact O-N 3.33Å; N177-R180 VanDerWaalsContact O-N 3.15Å; N177-R180 PolarHBondContact OD1-NH2 2.85Å; N177-H181 WeakPolarHBondContact O-CB 3.08Å; N177-H181 PolarHBondContact O-N 3.05Å |
| 178 | S | 96.4 | Very high | 88.6 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 17% | 0.168 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62 | -31.4 | 175.9 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | Y131 G174 W175 N182 | Y131-S178 VanDerWaalsContact CE2-OG 3.27Å; Y131-S178 WeakPolarHBondContact CE2-OG 3.4Å; Y131-S178 PolarHBondContact OH-OG 3.19Å; G174-S178 PolarHBondContact O-N 3.28Å; G174-S178 VanDerWaalsContact O-N 3.13Å; G174-S178 PolarHBondContact O-OG 3.13Å; W175-S178 WeakPolarHBondContact CA-OG 3.18Å; W175-S178 PolarHBondContact O-N 3.14Å; W175-S178 PolarHBondContact O-OG 2.93Å; S178-N182 WeakPolarHBondContact O-CB 3.39Å; S178-N182 PolarHBondContact O-N 3.07Å; S178-N182 PolarHBondContact O-ND2 3.06Å |
| 179 | I | 97.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 170.6 | -66.2 | -60.2 | 0 | 0 | 0 | 111.2 | Y131 I135 L149 I152 Y153 M156 W175 N177 H181 N182 L183 | Y131-I179 HydrophobicContact CD1-CD1 3.59Å; Y131-I179 HydrophobicContact CD1-CG1 4.48Å; Y131-I179 HydrophobicContact CE1-CD1 4.2Å; Y131-I179 HydrophobicContact CG-CD1 4.32Å; I135-I179 HydrophobicContact CD1-CD1 3.96Å; I135-I179 HydrophobicContact CD1-CG2 4.26Å; I135-I179 HydrophobicContact CG1-CD1 3.93Å; I135-I179 HydrophobicContact CG1-CG2 4.47Å; L149-I179 HydrophobicContact CD1-CG2 4.25Å; I152-I179 HydrophobicContact CG2-CG2 3.83Å; Y153-I179 HydrophobicContact CD1-CG2 4.36Å; Y153-I179 HydrophobicContact CE1-CB 4.23Å; Y153-I179 HydrophobicContact CE1-CG2 4.07Å; M156-I179 HydrophobicContact CE-CD1 3.59Å; M156-I179 HydrophobicContact CG-CD1 4.47Å; M156-I179 HydrophobicContact SD-CD1 4.07Å; W175-I179 HydrophobicContact CE3-CG1 4.12Å; W175-I179 HydrophobicContact CZ3-CG1 4.33Å; W175-I179 WeakPolarHBondContact O-CG1 3.45Å; W175-I179 PolarHBondContact O-N 3.43Å; W175-I179 VanDerWaalsContact O-N 3.07Å; N177-I179 PolarHBondContact O-N 2.75Å; I179-H181 VanDerWaalsContact C-N 3.3Å; I179-H181 PolarHBondContact O-N 3.15Å; I179-N182 PolarHBondContact O-N 3.29Å; I179-N182 VanDerWaalsContact O-N 3.16Å; I179-L183 HydrophobicContact CG2-CD1 4.01Å; I179-L183 WeakPolarHBondContact O-CG 3.44Å; I179-L183 PolarHBondContact O-N 3.3Å |
| 180 | R | 97.6 | Very high | 91 | Very high | 102 Ų | 102 | 61.3 Ų | 61.3 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.6 | -42.4 | 177.2 | -68.1 | -174.1 | -57 | -96.1 | 10 | 112.4 | L149 Y153 K176 N177 L183 S184 | L149-R180 HydrophobicContact CD1-CG 4.07Å; L149-R180 HydrophobicContact CD2-CG 3.98Å; Y153-R180 PolarHBondContact OH-NH1 3.44Å; K176-R180 WeakPolarHBondContact O-CG 3.35Å; K176-R180 PolarHBondContact O-N 3.31Å; K176-R180 PolarHBondContact O-NH1 3.45Å; N177-R180 PolarHBondContact O-N 3.33Å; N177-R180 VanDerWaalsContact O-N 3.15Å; N177-R180 PolarHBondContact OD1-NH2 2.85Å; R180-L183 PolarHBondContact O-N 2.79Å; R180-S184 PolarHBondContact O-N 3.24Å; R180-S184 PolarHBondContact O-OG 2.86Å |
| 181 | H | 97.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 61.5 Ų | 61.5 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.9 | 169 | 70.3 | 0 | 0 | 0 | 112.7 | N177 I179 L183 S184 L185 | N177-H181 WeakPolarHBondContact O-CB 3.08Å; N177-H181 PolarHBondContact O-N 3.05Å; I179-H181 VanDerWaalsContact C-N 3.3Å; I179-H181 PolarHBondContact O-N 3.15Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3Å; H181-S184 PolarHBondContact O-N 3.07Å; H181-S184 PolarHBondContact O-OG 2.84Å; H181-L185 VanDerWaalsContact CE1-CD1 3.45Å; H181-L185 WeakPolarHBondContact CE1-CD1 3.27Å; H181-L185 WeakPolarHBondContact O-CB 3.07Å; H181-L185 PolarHBondContact O-N 2.97Å |
| 182 | N | 98 | Very high | 93.9 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 177 | -87.1 | -107.9 | 0 | 0 | 0 | 112.4 | Y131 A132 I135 S178 I179 S184 H186 | Y131-N182 WeakPolarHBondContact CB-OD1 3.45Å; A132-N182 PolarHBondContact N-OD1 2.85Å; I135-N182 HydrophobicContact CD1-CB 3.64Å; S178-N182 WeakPolarHBondContact O-CB 3.39Å; S178-N182 PolarHBondContact O-N 3.07Å; S178-N182 PolarHBondContact O-ND2 3.06Å; I179-N182 PolarHBondContact O-N 3.29Å; I179-N182 VanDerWaalsContact O-N 3.16Å; N182-S184 VanDerWaalsContact C-N 3.34Å; N182-H186 PolarHBondContact O-N 3.32Å |
| 183 | L | 97.8 | Very high | 95 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.4 | -30 | 176.5 | -72.4 | 168.2 | 0 | 0 | 0 | 113.2 | I135 L149 I152 I179 R180 H181 F189 W203 | I135-L183 HydrophobicContact CD1-CD2 4.38Å; I135-L183 HydrophobicContact CD1-CG 4.2Å; I135-L183 HydrophobicContact CG2-CD2 3.67Å; L149-L183 HydrophobicContact CD1-CD1 3.66Å; I152-L183 HydrophobicContact CD1-CD1 4.22Å; I152-L183 HydrophobicContact CD1-CD2 4.25Å; I179-L183 HydrophobicContact CG2-CD1 4.01Å; I179-L183 WeakPolarHBondContact O-CG 3.44Å; I179-L183 PolarHBondContact O-N 3.3Å; R180-L183 PolarHBondContact O-N 2.79Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3Å; L183-F189 HydrophobicContact CD2-CB 4.13Å; L183-F189 HydrophobicContact CD2-CD2 4.26Å; L183-F189 HydrophobicContact CD2-CG 4.07Å; L183-W203 HydrophobicContact CB-CD2 4.3Å; L183-W203 HydrophobicContact CB-CE3 4.1Å; L183-W203 HydrophobicContact CB-CH2 3.9Å; L183-W203 HydrophobicContact CB-CZ2 4.12Å; L183-W203 HydrophobicContact CB-CZ3 3.88Å; L183-W203 HydrophobicContact CD1-CD2 4.12Å; L183-W203 HydrophobicContact CD1-CG 4.26Å; L183-W203 HydrophobicContact CD1-CZ2 4.44Å; L183-W203 HydrophobicContact CD2-CB 4.25Å; L183-W203 HydrophobicContact CD2-CD2 3.88Å; L183-W203 HydrophobicContact CD2-CE3 3.87Å; L183-W203 HydrophobicContact CD2-CG 4.05Å; L183-W203 HydrophobicContact CD2-CZ3 4.49Å; L183-W203 HydrophobicContact CG-CD2 4.33Å; L183-W203 HydrophobicContact CG-CE3 4.44Å; L183-W203 WeakPolarHBondContact O-CZ3 3.27Å |
| 184 | S | 96.1 | Very high | 95.4 | Very high | 96 Ų | 96 | 62.8 Ų | 62.8 | 67% | 0.671 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -93.8 | -28.1 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | R180 H181 N182 | R180-S184 PolarHBondContact O-N 3.24Å; R180-S184 PolarHBondContact O-OG 2.86Å; H181-S184 PolarHBondContact O-N 3.07Å; H181-S184 PolarHBondContact O-OG 2.84Å; N182-S184 VanDerWaalsContact C-N 3.34Å |
| 185 | L | 95.7 | Very high | 95.2 | Very high | 97 Ų | 97 | 67.3 Ų | 67.3 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -75.2 | -36.9 | -179.3 | -178.1 | 149.6 | 0 | 0 | 0 | 113 | H181 | H181-L185 VanDerWaalsContact CE1-CD1 3.45Å; H181-L185 WeakPolarHBondContact CE1-CD1 3.27Å; H181-L185 WeakPolarHBondContact O-CB 3.07Å; H181-L185 PolarHBondContact O-N 2.97Å |
| 186 | H | 95.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 30% | 0.296 | 35% | 0.345 | S | S | . | . | trans | -99.4 | 111.1 | -175.4 | -68.5 | -62.8 | 0 | 0 | 0 | 112 | N182 R188 F189 | N182-H186 PolarHBondContact O-N 3.32Å; H186-R188 HydrophobicContact CB-CG 4.1Å; H186-R188 PolarHBondContact O-N 2.79Å; H186-F189 HydrophobicContact CB-CD2 3.88Å; H186-F189 HydrophobicContact CB-CE2 3.95Å; H186-F189 PolarHBondContact O-N 3.14Å | ||
| 187 | S | 93.6 | Very high | 94.1 | Very high | 113 Ų | 113 | 72.1 Ų | 72.1 | 79% | 0.79 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -9.6 | 177.3 | 69.2 | 0 | 0 | 0 | 0 | 115.6 | F189 | S187-F189 PolarHBondContact O-N 3.3Š|
| 188 | R | 95.2 | Very high | 93.5 | Very high | 66 Ų | 66 | 72.1 Ų | 72.1 | 25% | 0.249 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.3 | 171.8 | 79.7 | -174.2 | -61 | -170 | -0.1 | 113.6 | T136 H186 I205 D206 A209 | T136-R188 VanDerWaalsContact OG1-CZ 3.32Å; T136-R188 PolarHBondContact OG1-NH1 2.92Å; H186-R188 HydrophobicContact CB-CG 4.1Å; H186-R188 PolarHBondContact O-N 2.79Å; R188-I205 WeakPolarHBondContact O-CA 3.29Å; R188-D206 PolarHBondContact O-N 3.38Å; R188-A209 HydrophobicContact CB-CB 3.73Å |
| 189 | F | 97.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 76.4 Ų | 76.4 | 5% | 0.048 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122 | 175.7 | -54.3 | -56.6 | 0 | 0 | 0 | 108.9 | A132 I135 I139 L183 H186 S187 W203 V204 I205 | A132-F189 HydrophobicContact CB-CE2 4.2Å; A132-F189 HydrophobicContact CB-CZ 4.32Å; A132-F189 WeakPolarHBondContact O-CZ 3.48Å; I135-F189 HydrophobicContact CB-CE1 4.25Å; I135-F189 HydrophobicContact CB-CE2 4.48Å; I135-F189 HydrophobicContact CB-CZ 3.92Å; I135-F189 HydrophobicContact CG2-CD1 3.99Å; I135-F189 HydrophobicContact CG2-CE1 3.54Å; I135-F189 HydrophobicContact CG2-CE2 4.14Å; I135-F189 HydrophobicContact CG2-CG 4.48Å; I135-F189 HydrophobicContact CG2-CZ 3.62Å; I139-F189 HydrophobicContact CD1-CD1 4.15Å; I139-F189 HydrophobicContact CD1-CE1 4.43Å; L183-F189 HydrophobicContact CD2-CB 4.13Å; L183-F189 HydrophobicContact CD2-CD2 4.26Å; L183-F189 HydrophobicContact CD2-CG 4.07Å; H186-F189 HydrophobicContact CB-CD2 3.88Å; H186-F189 HydrophobicContact CB-CE2 3.95Å; H186-F189 PolarHBondContact O-N 3.14Å; S187-F189 PolarHBondContact O-N 3.3Å; F189-W203 HydrophobicContact CB-CE3 4.33Å; F189-V204 WeakPolarHBondContact CA-O 3.37Å; F189-I205 HydrophobicContact CD1-CG1 4.37Å; F189-I205 HydrophobicContact CE1-CG1 4.3Å |
| 190 | M | 95.7 | Very high | 93 | Very high | 77 Ų | 77 | 79.5 Ų | 79.5 | 38% | 0.379 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.1 | 176.9 | 66.6 | -175.1 | -60.4 | 0 | 0 | 110.6 | I192 V204 D206 | M190-I192 HydrophobicContact CE-CD1 4.24Å; M190-I192 HydrophobicContact CE-CG1 4.2Å; M190-I192 HydrophobicContact CG-CG1 4.37Å; M190-I192 HydrophobicContact SD-CD1 4.5Å; M190-V204 HydrophobicContact CG-CB 3.9Å; M190-V204 PolarHBondContact N-O 3.4Å; M190-V204 PolarHBondContact O-N 3.4Å; M190-D206 HydrophobicContact SD-CB 4.42Å |
| 191 | R | 96.5 | Very high | 92.9 | Very high | 148 Ų | 148 | 75.6 Ų | 75.6 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.6 | 176.9 | -173 | -177.1 | 67.3 | 84 | 2.1 | 109.4 | S201 W202 W203 | R191-S201 VanDerWaalsContact CG-CB 3.43Å; R191-S201 PolarHBondContact NH1-OG 3.16Å; R191-W202 CarbonylContact C-O 3.59Å; R191-W202 WeakPolarHBondContact CA-O 3.47Å; R191-W203 HydrophobicContact CB-CE3 4.12Å; R191-W203 HydrophobicContact CB-CH2 3.97Å; R191-W203 HydrophobicContact CB-CZ2 4.35Å; R191-W203 HydrophobicContact CB-CZ3 3.84Å; R191-W203 HydrophobicContact CG-CH2 4.35Å; R191-W203 HydrophobicContact CG-CZ2 4.25Å |
| 192 | I | 95.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 72.5 Ų | 72.5 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.4 | 175.5 | -54.7 | -171.7 | 0 | 0 | 0 | 108.7 | M190 S201 W202 V204 | M190-I192 HydrophobicContact CE-CD1 4.24Å; M190-I192 HydrophobicContact CE-CG1 4.2Å; M190-I192 HydrophobicContact CG-CG1 4.37Å; M190-I192 HydrophobicContact SD-CD1 4.5Å; I192-S201 WeakPolarHBondContact O-CB 3.42Å; I192-W202 HydrophobicContact CB-CB 4.29Å; I192-W202 PolarHBondContact N-O 2.83Å; I192-W202 PolarHBondContact O-N 3.49Å; I192-V204 HydrophobicContact CD1-CB 4.15Å; I192-V204 HydrophobicContact CD1-CG2 3.57Å; I192-V204 HydrophobicContact CG1-CG2 3.93Å |
| 193 | Q | 93.5 | Very high | 92.9 | Very high | 98 Ų | 98 | 73.8 Ų | 73.8 | 46% | 0.458 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 150.5 | 177.6 | -173 | 46.9 | 41 | 0 | 0 | 110.7 | S201 | Q193-S201 PolarHBondContact OE1-OG 3Š|
| 194 | N | 90.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 74.8 Ų | 74.8 | 14% | 0.139 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 158 | -177.9 | -162 | -6.4 | 0 | 0 | 0 | 110.6 | G196 K199 S200 W202 | N194-G196 VanDerWaalsContact C-N 3.33Å; N194-G196 PolarHBondContact O-N 2.96Å; N194-K199 HydrophobicContact CB-CB 4.1Å; N194-S200 VanDerWaalsContact CB-O 3.23Å; N194-S200 WeakPolarHBondContact CB-O 3.38Å; N194-S200 PolarHBondContact ND2-O 3.21Å; N194-W202 PolarHBondContact OD1-NE1 3.24Å |
| 195 | E | 86.4 | Confident | 92.9 | Very high | 147 Ų | 147 | 71.8 Ų | 71.8 | 69% | 0.687 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -69.7 | 80.5 | -171.7 | -55.6 | -49.5 | 140.7 | 0 | 0 | 112.3 | K199 | E195-K199 WeakPolarHBondContact O-CD 3.36Å; E195-K199 WeakPolarHBondContact O-CE 3.44Å; E195-K199 PolarHBondContact O-NZ 3.28Å |
| 196 | G | 81.9 | Confident | 92.8 | Very high | 30 Ų | 30 | 69.3 Ų | 69.3 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 126.9 | 145.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N194 | N194-G196 VanDerWaalsContact C-N 3.33Å; N194-G196 PolarHBondContact O-N 2.96Å |
| 197 | P | 83.7 | Confident | 92.5 | Very high | 134 Ų | 134 | 71.2 Ų | 71.2 | 87% | 0.87 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 151.8 | 176.6 | 27.7 | -34.9 | 0 | 0 | 0 | 111.5 | K199 | P197-K199 PolarHBondContact O-N 3.18Š|
| 198 | G | 83.4 | Confident | 92 | Very high | 90 Ų | 90 | 71.6 Ų | 71.6 | 93% | 0.928 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -12.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 199 | K | 88.1 | Confident | 90.9 | Very high | 115 Ų | 115 | 69.8 Ų | 69.8 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -78.7 | 144.2 | 173.1 | -65.2 | 178.7 | -174 | 170.4 | 0 | 111.3 | N194 E195 P197 | N194-K199 HydrophobicContact CB-CB 4.1Å; E195-K199 WeakPolarHBondContact O-CD 3.36Å; E195-K199 WeakPolarHBondContact O-CE 3.44Å; E195-K199 PolarHBondContact O-NZ 3.28Å; P197-K199 PolarHBondContact O-N 3.18Å |
| 200 | S | 94.1 | Very high | 89.4 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 136.9 | 174.8 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | N194 | N194-S200 VanDerWaalsContact CB-O 3.23Å; N194-S200 WeakPolarHBondContact CB-O 3.38Å; N194-S200 PolarHBondContact ND2-O 3.21Å |
| 201 | S | 96 | Very high | 87.9 | Confident | 20 Ų | 20 | 78.3 Ų | 78.3 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 151.4 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | R191 I192 Q193 | R191-S201 VanDerWaalsContact CG-CB 3.43Å; R191-S201 PolarHBondContact NH1-OG 3.16Å; I192-S201 WeakPolarHBondContact O-CB 3.42Å; Q193-S201 PolarHBondContact OE1-OG 3Å |
| 202 | W | 96.9 | Very high | 86 | Confident | 37 Ų | 37 | 74 Ų | 74 | 14% | 0.14 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 142.3 | 168.8 | -64.8 | 107.9 | 0 | 0 | 0 | 110.6 | R146 T148 R191 I192 N194 | R146-W202 HydrophobicContact CB-CB 4.4Å; R146-W202 HydrophobicContact CB-CE3 4.12Å; R146-W202 HydrophobicContact CG-CD2 4.09Å; R146-W202 HydrophobicContact CG-CE3 3.73Å; R146-W202 HydrophobicContact CG-CZ3 4.16Å; T148-W202 HydrophobicContact CG2-CD2 4.29Å; T148-W202 HydrophobicContact CG2-CE3 3.79Å; T148-W202 HydrophobicContact CG2-CH2 4.08Å; T148-W202 HydrophobicContact CG2-CZ3 3.68Å; R191-W202 CarbonylContact C-O 3.59Å; R191-W202 WeakPolarHBondContact CA-O 3.47Å; I192-W202 HydrophobicContact CB-CB 4.29Å; I192-W202 PolarHBondContact N-O 2.83Å; I192-W202 PolarHBondContact O-N 3.49Å; N194-W202 PolarHBondContact OD1-NE1 3.24Å |
| 203 | W | 98 | Very high | 84.1 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 16% | 0.155 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.9 | 167.9 | -68.8 | 97.6 | 0 | 0 | 0 | 109.3 | I139 R146 L147 I152 L183 F189 R191 | I139-W203 HydrophobicContact CD1-CB 4.32Å; R146-W203 WeakPolarHBondContact CA-O 3.36Å; L147-W203 PolarHBondContact N-O 3.05Å; L147-W203 PolarHBondContact O-N 2.96Å; I152-W203 HydrophobicContact CD1-CB 4.03Å; I152-W203 HydrophobicContact CD1-CG 4.36Å; L183-W203 HydrophobicContact CB-CD2 4.3Å; L183-W203 HydrophobicContact CB-CE3 4.1Å; L183-W203 HydrophobicContact CB-CH2 3.9Å; L183-W203 HydrophobicContact CB-CZ2 4.12Å; L183-W203 HydrophobicContact CB-CZ3 3.88Å; L183-W203 HydrophobicContact CD1-CD2 4.12Å; L183-W203 HydrophobicContact CD1-CG 4.26Å; L183-W203 HydrophobicContact CD1-CZ2 4.44Å; L183-W203 HydrophobicContact CD2-CB 4.25Å; L183-W203 HydrophobicContact CD2-CD2 3.88Å; L183-W203 HydrophobicContact CD2-CE3 3.87Å; L183-W203 HydrophobicContact CD2-CG 4.05Å; L183-W203 HydrophobicContact CD2-CZ3 4.49Å; L183-W203 HydrophobicContact CG-CD2 4.33Å; L183-W203 HydrophobicContact CG-CE3 4.44Å; L183-W203 WeakPolarHBondContact O-CZ3 3.27Å; F189-W203 HydrophobicContact CB-CE3 4.33Å; R191-W203 HydrophobicContact CB-CE3 4.12Å; R191-W203 HydrophobicContact CB-CH2 3.97Å; R191-W203 HydrophobicContact CB-CZ2 4.35Å; R191-W203 HydrophobicContact CB-CZ3 3.84Å; R191-W203 HydrophobicContact CG-CH2 4.35Å; R191-W203 HydrophobicContact CG-CZ2 4.25Å |
| 204 | V | 96.8 | Very high | 82.2 | Confident | 24 Ų | 24 | 81 Ų | 81 | 15% | 0.145 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.8 | -173.1 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | R146 F189 M190 I192 | R146-V204 HydrophobicContact CB-CG2 3.62Å; F189-V204 WeakPolarHBondContact CA-O 3.37Å; M190-V204 HydrophobicContact CG-CB 3.9Å; M190-V204 PolarHBondContact N-O 3.4Å; M190-V204 PolarHBondContact O-N 3.4Å; I192-V204 HydrophobicContact CD1-CB 4.15Å; I192-V204 HydrophobicContact CD1-CG2 3.57Å; I192-V204 HydrophobicContact CG1-CG2 3.93Å |
| 205 | I | 96.1 | Very high | 80.3 | Confident | 33 Ų | 33 | 85 Ų | 85 | 17% | 0.169 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 122.5 | 168.1 | -64.1 | 156.4 | 0 | 0 | 0 | 107.4 | T136 I139 L140 R188 F189 | T136-I205 HydrophobicContact CG2-CD1 3.86Å; I139-I205 HydrophobicContact CB-CD1 3.88Å; I139-I205 HydrophobicContact CB-CG1 4.1Å; I139-I205 HydrophobicContact CD1-CG1 4.26Å; I139-I205 HydrophobicContact CG2-CD1 3.83Å; I139-I205 HydrophobicContact CG2-CG1 3.87Å; L140-I205 HydrophobicContact CD2-CD1 3.84Å; L140-I205 HydrophobicContact CG-CD1 3.67Å; R188-I205 WeakPolarHBondContact O-CA 3.29Å; F189-I205 HydrophobicContact CD1-CG1 4.37Å; F189-I205 HydrophobicContact CE1-CG1 4.3Å |
| 206 | D | 93.8 | Very high | 79.2 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 24% | 0.235 | 52% | 0.522 | C | S | . | . | trans | -55.2 | 120.1 | 173.9 | 168.3 | 15.9 | 0 | 0 | 0 | 109.9 | R188 M190 D208 A209 | R188-D206 PolarHBondContact O-N 3.38Å; M190-D206 HydrophobicContact SD-CB 4.42Å; D206-D208 PolarHBondContact O-N 3.07Å; D206-D208 PolarHBondContact OD1-N 3.12Å; D206-A209 HydrophobicContact CB-CB 3.82Å; D206-A209 WeakPolarHBondContact O-CB 3.42Å; D206-A209 PolarHBondContact O-N 3.12Å; D206-A209 VanDerWaalsContact O-N 3.16Å; D206-A209 PolarHBondContact OD2-N 3.09Å | ||
| 207 | P | 89.4 | Confident | 78.5 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 68% | 0.682 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -23.9 | -179.3 | 28 | -35.5 | 0 | 0 | 0 | 113 | ||
| 208 | D | 83.4 | Confident | 77.7 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 64% | 0.642 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -13.1 | 176.2 | -84.1 | -51.7 | 0 | 0 | 0 | 113.6 | D206 K210 | D206-D208 PolarHBondContact O-N 3.07Å; D206-D208 PolarHBondContact OD1-N 3.12Å; D208-K210 PolarHBondContact O-N 2.93Å; D208-K210 IonicContact OD1-NZ 3.78Å; D208-K210 PolarHBondContact OD1-NZ 3.34Å |
| 209 | A | 73.4 | Confident | 77.2 | Confident | 28 Ų | 28 | 103.9 Ų | 103.9 | 23% | 0.231 | 55% | 0.545 | C | S | . | . | S | Bend | trans | -72.8 | 57.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R188 D206 | R188-A209 HydrophobicContact CB-CB 3.73Å; D206-A209 HydrophobicContact CB-CB 3.82Å; D206-A209 WeakPolarHBondContact O-CB 3.42Å; D206-A209 PolarHBondContact O-N 3.12Å; D206-A209 VanDerWaalsContact O-N 3.16Å; D206-A209 PolarHBondContact OD2-N 3.09Å |
| 210 | K | 65.2 | Low | 76.2 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | trans | -47.1 | 129.5 | -176.1 | -73.3 | 176.1 | 176.1 | 67.5 | 0 | 111.4 | D208 G212 | D208-K210 PolarHBondContact O-N 2.93Å; D208-K210 IonicContact OD1-NZ 3.78Å; D208-K210 PolarHBondContact OD1-NZ 3.34Å; K210-G212 PolarHBondContact O-N 3.02Å | ||
| 211 | P | 62.8 | Low | 74.9 | Confident | 132 Ų | 132 | 104.2 Ų | 104.2 | 86% | 0.857 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -69 | -1.6 | -176.6 | 28.7 | -36.2 | 0 | 0 | 0 | 114.2 | ||
| 212 | G | 58.6 | Low | 73.4 | Confident | 57 Ų | 57 | 111.2 Ų | 111.2 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -103.6 | 85.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K210 | K210-G212 PolarHBondContact O-N 3.02Š|
| 213 | K | 53.3 | Low | 71.6 | Confident | 196 Ų | 196 | 115.6 Ų | 115.6 | 85% | 0.852 | 63% | 0.627 | S | S | * | * | trans | 46.6 | 84.2 | 161.6 | -57.2 | 164.4 | -172.3 | 163.6 | 0 | 113.8 | S215 | K213-S215 VanDerWaalsContact C-N 3.32Å; K213-S215 PolarHBondContact O-N 2.98Å | ||
| 214 | S | 54.9 | Low | 69.9 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 65% | 0.65 | S | S | * | * | trans | -55.2 | 100.6 | 159.9 | 43.9 | 0 | 0 | 0 | 0 | 108.5 | R216 | S214-R216 PolarHBondContact O-N 3.12Š| ||
| 215 | S | 50 | Low | 68 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | trans | -68.8 | 99.9 | -167.7 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | K213 R217 | K213-S215 VanDerWaalsContact C-N 3.32Å; K213-S215 PolarHBondContact O-N 2.98Å; S215-R217 PolarHBondContact O-N 2.99Å | ||
| 216 | R | 64.4 | Low | 66.2 | Low | 230 Ų | 230 | 127.7 Ų | 127.7 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | trans | -48.6 | 108 | 172.2 | 173.6 | -178.3 | -75.8 | -131.9 | -0.8 | 106.2 | S214 R218 | S214-R216 PolarHBondContact O-N 3.12Å; R216-R218 PolarHBondContact O-N 2.92Å | ||
| 217 | R | 66.1 | Low | 64.4 | Low | 237 Ų | 237 | 134.8 Ų | 134.8 | 89% | 0.894 | 72% | 0.72 | S | S | * | * | trans | -51 | 112.4 | -179.6 | -73.4 | -175.6 | 174 | -164.4 | -0.6 | 106.4 | S215 A219 | S215-R217 PolarHBondContact O-N 2.99Å; R217-A219 PolarHBondContact O-N 2.92Å | ||
| 218 | R | 66.7 | Low | 62.7 | Low | 236 Ų | 236 | 135.1 Ų | 135.1 | 89% | 0.891 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 128.8 | 167.3 | -59.1 | -175.3 | -159.4 | 148.7 | 5.1 | 104.7 | R216 G220 | R216-R218 PolarHBondContact O-N 2.92Å; R218-G220 PolarHBondContact O-N 2.86Å |
| 219 | A | 74 | Confident | 61.3 | Low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 133.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | R217 S221 | R217-A219 PolarHBondContact O-N 2.92Å; A219-S221 PolarHBondContact O-N 3.32Å |
| 220 | G | 65.6 | Low | 60.5 | Low | 70 Ų | 70 | 144.5 Ų | 144.5 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 129.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | R218 M222 | R218-G220 PolarHBondContact O-N 2.86Å; G220-M222 PolarHBondContact O-N 3.5Å |
| 221 | S | 67 | Low | 60 | Low | 117 Ų | 117 | 146.9 Ų | 146.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -62.7 | 103 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | A219 E223 | A219-S221 PolarHBondContact O-N 3.32Å; S221-E223 PolarHBondContact O-N 3.15Å | ||
| 222 | M | 64.1 | Low | 59.6 | Low | 167 Ų | 167 | 150.6 Ų | 150.6 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | trans | -59.2 | 121.6 | -170.5 | -164.9 | 160.9 | 65.2 | 0 | 0 | 110.3 | G220 I224 | G220-M222 PolarHBondContact O-N 3.5Å; M222-I224 PolarHBondContact O-N 3.1Å | ||
| 223 | E | 59.5 | Low | 59.3 | Low | 129 Ų | 129 | 150.5 Ų | 150.5 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | -73.4 | 86 | -169.1 | -71.9 | -178.3 | -160 | 0 | 0 | 112.8 | S221 S225 K226 | S221-E223 PolarHBondContact O-N 3.15Å; E223-S225 PolarHBondContact O-N 3.47Å; E223-S225 VanDerWaalsContact O-N 3.07Å; E223-K226 WeakPolarHBondContact OE2-CE 3.37Å; E223-K226 IonicContact OE2-NZ 3.58Å | ||
| 224 | I | 62.5 | Low | 59.3 | Low | 124 Ų | 124 | 152.1 Ų | 152.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -63.9 | -11.4 | 174.2 | -64.1 | 167.6 | 0 | 0 | 0 | 112.1 | M222 K226 L228 | M222-I224 PolarHBondContact O-N 3.1Å; I224-K226 PolarHBondContact O-N 3.14Å; I224-L228 HydrophobicContact CG2-CD1 4.01Å |
| 225 | S | 57.4 | Low | 59.2 | Low | 72 Ų | 72 | 151.9 Ų | 151.9 | 50% | 0.503 | 75% | 0.747 | S | S | . | * | G | 310 helix | trans | -52.5 | -46.2 | -178.5 | -49.1 | 0 | 0 | 0 | 0 | 114.4 | E223 K227 L228 | E223-S225 PolarHBondContact O-N 3.47Å; E223-S225 VanDerWaalsContact O-N 3.07Å; S225-K227 PolarHBondContact O-N 3.01Å; S225-L228 PolarHBondContact O-N 3.23Å |
| 226 | K | 57.4 | Low | 59.6 | Low | 155 Ų | 155 | 156.3 Ų | 156.3 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -69.3 | -7.5 | -166.8 | -65.8 | 179.7 | -175.1 | 168.9 | 0 | 115.1 | E223 I224 | E223-K226 WeakPolarHBondContact OE2-CE 3.37Å; E223-K226 IonicContact OE2-NZ 3.58Å; I224-K226 PolarHBondContact O-N 3.14Å |
| 227 | K | 55.9 | Low | 59.2 | Low | 194 Ų | 194 | 153.1 Ų | 153.1 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -105.9 | -11 | 173 | -121.2 | 178.8 | -176.7 | 177.5 | 0 | 114.6 | S225 | S225-K227 PolarHBondContact O-N 3.01Š|
| 228 | L | 54.6 | Low | 58.7 | Low | 112 Ų | 112 | 149.6 Ų | 149.6 | 59% | 0.586 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -30.5 | -174.6 | -70.4 | 175.9 | 0 | 0 | 0 | 114.3 | I224 S225 K230 K231 | I224-L228 HydrophobicContact CG2-CD1 4.01Å; S225-L228 PolarHBondContact O-N 3.23Å; L228-K230 VanDerWaalsContact C-N 3.31Å; L228-K230 PolarHBondContact O-N 3.24Å; L228-K231 PolarHBondContact O-N 2.79Å |
| 229 | E | 53.9 | Low | 58.3 | Low | 146 Ų | 146 | 145.4 Ų | 145.4 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -59.8 | -40.9 | 179.3 | -67.2 | -176.1 | 102.8 | 0 | 0 | 112.5 | K231 R232 | E229-K231 PolarHBondContact O-N 2.72Å; E229-R232 PolarHBondContact O-N 2.86Å; E229-R232 VanDerWaalsContact O-N 3.09Å |
| 230 | K | 56.3 | Low | 57.5 | Low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -60.6 | -11.4 | -180 | -75.1 | -176.4 | 174.5 | 178.4 | 0 | 114.7 | L228 | L228-K230 VanDerWaalsContact C-N 3.31Å; L228-K230 PolarHBondContact O-N 3.24Å |
| 231 | K | 54.5 | Low | 57 | Low | 186 Ų | 186 | 150 Ų | 150 | 81% | 0.809 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -103.7 | -14.7 | 175.9 | -155.5 | 169.4 | -177.8 | 179.2 | 0 | 114.5 | L228 E229 | L228-K231 PolarHBondContact O-N 2.79Å; E229-K231 PolarHBondContact O-N 2.72Å |
| 232 | R | 54.3 | Low | 56.4 | Low | 210 Ų | 210 | 150.6 Ų | 150.6 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.6 | -15.6 | 179.4 | -66.8 | -173.7 | 73.7 | 133.2 | -2 | 114.2 | E229 R234 | E229-R232 PolarHBondContact O-N 2.86Å; E229-R232 VanDerWaalsContact O-N 3.09Å; R232-R234 PolarHBondContact O-N 2.97Å |
| 233 | G | 53 | Low | 56.3 | Low | 54 Ų | 54 | 152.8 Ų | 152.8 | 56% | 0.557 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62.3 | -30.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | V235 | G233-V235 PolarHBondContact O-N 3.45Å |
| 234 | R | 52.9 | Low | 56.3 | Low | 231 Ų | 231 | 151.3 Ų | 151.3 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -72 | -27.3 | -175.6 | -72.3 | -168.2 | -178.1 | -173.3 | 1.2 | 114.5 | R232 | R232-R234 PolarHBondContact O-N 2.97Å |
| 235 | V | 53.8 | Low | 56 | Low | 117 Ų | 117 | 151 Ų | 151 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -78.9 | -41.9 | -178 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | G233 K237 K238 | G233-V235 PolarHBondContact O-N 3.45Å; V235-K237 VanDerWaalsContact C-N 3.31Å; V235-K237 PolarHBondContact O-N 2.95Å; V235-K238 PolarHBondContact O-N 3.31Å; V235-K238 VanDerWaalsContact O-N 3.08Å |
| 236 | R | 58.6 | Low | 55.6 | Low | 200 Ų | 200 | 153.2 Ų | 153.2 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -61.7 | -38.1 | -176.5 | -149 | 176.2 | -167.4 | 175 | 3.3 | 112.2 | K238 M239 E240 | R236-K238 PolarHBondContact O-N 3.4Å; R236-M239 PolarHBondContact O-N 3.31Å; R236-M239 VanDerWaalsContact O-N 3.08Å; R236-E240 PolarHBondContact O-N 3.39Å |
| 237 | K | 55.9 | Low | 54.8 | Low | 163 Ų | 163 | 149.5 Ų | 149.5 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -63.4 | -23.5 | 177.3 | -167.5 | 166.9 | -176.9 | 174.5 | 0 | 114 | V235 | V235-K237 VanDerWaalsContact C-N 3.31Å; V235-K237 PolarHBondContact O-N 2.95Å |
| 238 | K | 54.9 | Low | 54 | Low | 163 Ų | 163 | 143.6 Ų | 143.6 | 71% | 0.709 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -83.2 | -20.9 | 174.7 | -169.7 | 164.4 | -178.6 | 175.6 | 0 | 113.3 | V235 R236 | V235-K238 PolarHBondContact O-N 3.31Å; V235-K238 VanDerWaalsContact O-N 3.08Å; R236-K238 PolarHBondContact O-N 3.4Å |
| 239 | M | 59.1 | Low | 53.5 | Low | 148 Ų | 148 | 144.4 Ų | 144.4 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -77.1 | -41 | 172.2 | -166.2 | 70.9 | -177.7 | 0 | 0 | 111.3 | R236 Q241 L242 | R236-M239 PolarHBondContact O-N 3.31Å; R236-M239 VanDerWaalsContact O-N 3.08Å; M239-Q241 VanDerWaalsContact C-N 3.32Å; M239-Q241 PolarHBondContact O-N 3.46Å; M239-L242 PolarHBondContact O-N 2.86Å |
| 240 | E | 56.3 | Low | 53.1 | Low | 126 Ų | 126 | 145.2 Ų | 145.2 | 59% | 0.589 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -55.7 | -46 | 177.7 | -147.8 | 74.3 | -123.9 | 0 | 0 | 111.9 | R236 L242 R243 | R236-E240 PolarHBondContact O-N 3.39Å; E240-L242 PolarHBondContact O-N 2.83Å; E240-R243 WeakPolarHBondContact O-CB 3.5Å; E240-R243 PolarHBondContact O-N 3.48Å |
| 241 | Q | 54.9 | Low | 52.5 | Low | 137 Ų | 137 | 139.9 Ų | 139.9 | 64% | 0.64 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -72.5 | -10.8 | -172.8 | -161 | 170.7 | 9.2 | 0 | 0 | 114.3 | M239 S244 | M239-Q241 VanDerWaalsContact C-N 3.32Å; M239-Q241 PolarHBondContact O-N 3.46Å; Q241-S244 PolarHBondContact O-OG 3.06Å |
| 242 | L | 56.1 | Low | 51.9 | Low | 129 Ų | 129 | 139.3 Ų | 139.3 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -89.2 | -16.5 | 171 | -77.4 | 165.5 | 0 | 0 | 0 | 112.7 | M239 E240 | M239-L242 PolarHBondContact O-N 2.86Å; E240-L242 PolarHBondContact O-N 2.83Å |
| 243 | R | 61.1 | Low | 51.3 | Low | 213 Ų | 213 | 132.4 Ų | 132.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -83.3 | -16 | -179.3 | -158.5 | 174.2 | -170.9 | 177.6 | 3.8 | 113.4 | E240 | E240-R243 WeakPolarHBondContact O-CB 3.5Å; E240-R243 PolarHBondContact O-N 3.48Å |
| 244 | S | 58.7 | Low | 50.8 | Low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 14 | -174.1 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | Q241 | Q241-S244 PolarHBondContact O-OG 3.06Š|
| 245 | V | 57.5 | Low | 50.5 | Low | 117 Ų | 117 | 129.9 Ų | 129.9 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -113.2 | -26 | -173.3 | -178 | 0 | 0 | 0 | 0 | 113.3 | G247 | V245-G247 PolarHBondContact O-N 3.46Š|
| 246 | S | 48.9 | Very low | 50.1 | Low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -94.3 | 90.1 | 175.6 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 247 | G | 39.2 | Very low | 49.4 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | -109.5 | 147.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V245 | V245-G247 PolarHBondContact O-N 3.46Š| ||
| 248 | G | 40.4 | Very low | 48.9 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 92.4 | 146.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | T | 44.1 | Very low | 48.2 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | cis | -158 | 156.7 | -0.3 | -34.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | L | 44.7 | Very low | 47.4 | Very low | 163 Ų | 163 | 122.4 Ų | 122.4 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | 68.5 | 163.4 | 173.2 | -48.8 | 170.8 | 0 | 0 | 0 | 115.5 | ||||
| 251 | A | 43.1 | Very low | 46.5 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | 167.2 | 141.7 | -53.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 252 | D | 43 | Very low | 46 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | 72.3 | 158.3 | 167.4 | -157.2 | 23.6 | 0 | 0 | 0 | 119.5 | ||||
| 253 | G | 41.8 | Very low | 45.4 | Very low | 64 Ų | 64 | 121.7 Ų | 121.7 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | 99.1 | 87.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 254 | G | 41.6 | Very low | 44.2 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | 82.1 | 106.9 | 125.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 255 | I | 48.3 | Very low | 43.3 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | 44.4 | 116.1 | 133.8 | 59.2 | 163.1 | 0 | 0 | 0 | 123.4 | ||||
| 256 | S | 43.9 | Very low | 42.8 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | 67.2 | 107.5 | 122.2 | -57.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 257 | V | 44.3 | Very low | 42.5 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | 74.4 | 144.3 | 121.8 | -177.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 258 | L | 44.5 | Very low | 42.7 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 81.6 | 109.3 | 179.1 | -51.6 | -170.7 | 0 | 0 | 0 | 117.9 | ||||
| 259 | S | 41.3 | Very low | 42.9 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -84.8 | 154 | 145.8 | -49.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 260 | P | 42 | Very low | 42.9 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -140 | 175.5 | 92.9 | 36.9 | -22.4 | 0 | 0 | 0 | 114.3 | |||||
| 261 | S | 37.6 | Very low | 42.7 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -81.8 | 136.9 | -173.9 | -177.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 262 | I | 43.7 | Very low | 42.4 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -133.8 | 160.1 | 146.6 | 59.7 | 169.6 | 0 | 0 | 0 | 109.9 | ||||
| 263 | S | 43.4 | Very low | 42.4 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -91 | 148.1 | -179.2 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 264 | E | 35.5 | Very low | 42.2 | Very low | 181 Ų | 181 | 121.8 Ų | 121.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -169.2 | 138.1 | 142.8 | -100.8 | 161.3 | 144.7 | 0 | 0 | 106.3 | ||||
| 265 | S | 41 | Very low | 42 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | 93.8 | 166 | 51.4 | -158.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 266 | S | 46.8 | Very low | 41.5 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | 70.6 | 115.4 | 178.1 | -70.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 267 | D | 42.3 | Very low | 41.3 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 99 | 155.6 | 70.3 | -68.6 | -43.6 | 0 | 0 | 0 | 108.9 | |||||
| 268 | L | 44.1 | Very low | 41.3 | Very low | 143 Ų | 143 | 116.8 Ų | 116.8 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | cis | -154.2 | 168.3 | 35.2 | -71.8 | 157 | 0 | 0 | 0 | 111.6 | ||||
| 269 | L | 43.5 | Very low | 41.3 | Very low | 158 Ų | 158 | 114.3 Ų | 114.3 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | 57.6 | 151 | 146 | 73.7 | 83.7 | 0 | 0 | 0 | 120 | ||||
| 270 | D | 44.6 | Very low | 41.7 | Very low | 155 Ų | 155 | 116.5 Ų | 116.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | cis | -144.9 | 176.8 | 3.2 | -162 | 3.7 | 0 | 0 | 0 | 110.8 | ||||
| 271 | G | 41.2 | Very low | 42.2 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -77.8 | -175.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 272 | G | 36.9 | Very low | 42.7 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | 170.6 | 174.8 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 273 | A | 42 | Very low | 42.7 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | 67 | 123 | 168.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 274 | G | 38.2 | Very low | 42.6 | Very low | 85 Ų | 85 | 119.1 Ų | 119.1 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | 86.4 | 136.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 275 | G | 36.4 | Very low | 42.9 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | cis | 164.7 | 141.4 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 276 | G | 37.6 | Very low | 42.8 | Very low | 83 Ų | 83 | 119 Ų | 119 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 105.8 | 117.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 277 | G | 40.3 | Very low | 42.7 | Very low | 75 Ų | 75 | 120.4 Ų | 120.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 80.9 | 135.9 | 162 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 278 | S | 45.4 | Very low | 42.6 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | cis | -157.9 | 147.8 | -4.3 | -72 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 279 | S | 43.5 | Very low | 42.3 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | 44.5 | 105.5 | 158.7 | -140.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 280 | M | 50 | Low | 42.1 | Very low | 160 Ų | 160 | 119.3 Ų | 119.3 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | 58.3 | 126.5 | 80.2 | -67.5 | -170.9 | 172.6 | 0 | 0 | 114.8 | |||||
| 281 | M | 52 | Low | 41.8 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 77% | 0.768 | 81% | 0.805 | S | S | * | * | cis | -145.3 | 163.2 | 1.6 | -80.7 | -51.4 | -165.6 | 0 | 0 | 112.3 | ||||
| 282 | P | 49 | Very low | 41.9 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | -111.1 | 170 | 178.7 | 41.4 | -34 | 0 | 0 | 0 | 116 | ||||
| 283 | F | 43.4 | Very low | 42.2 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -139 | 135.8 | 153.2 | 65.6 | -82 | 0 | 0 | 0 | 107.4 | ||||
| 284 | T | 41.4 | Very low | 42 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | cis | 71.1 | 121.4 | 36.9 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 285 | L | 40.3 | Very low | 42.1 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | cis | -135.9 | -178.9 | 18.1 | -75.5 | 173.4 | 0 | 0 | 0 | 114 | ||||
| 286 | S | 39.3 | Very low | 42.2 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -103.2 | -158 | -174.9 | -157.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 287 | P | 45.2 | Very low | 42.4 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | -126.5 | 170.7 | -105.1 | 41.9 | -26.1 | 0 | 0 | 0 | 116 | |||||
| 288 | A | 40.3 | Very low | 42.6 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -148.3 | 155.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 289 | N | 38.9 | Very low | 42.7 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -58 | 147.4 | -172.7 | -56 | -35.1 | 0 | 0 | 0 | 114.8 | ||||
| 290 | D | 39.3 | Very low | 42.6 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | -159.9 | 155.3 | 105.4 | -136.4 | -32.9 | 0 | 0 | 0 | 114.5 | |||||
| 291 | F | 37.5 | Very low | 42.3 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -92.4 | 114.8 | -176.2 | -98.1 | -108.8 | 0 | 0 | 0 | 112.5 | ||||
| 292 | R | 43.3 | Very low | 41.8 | Very low | 244 Ų | 244 | 148.5 Ų | 148.5 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -139 | 148.8 | 154.9 | -61.9 | -154.6 | 96.6 | 154.7 | 11.5 | 113.3 | ||||
| 293 | H | 42.5 | Very low | 41.5 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -78.7 | 144.2 | -166.2 | -71.6 | -105.6 | 0 | 0 | 0 | 115.1 | ||||
| 294 | R | 37.4 | Very low | 41.5 | Very low | 233 Ų | 233 | 146.2 Ų | 146.2 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -61.7 | 142.7 | 160.1 | -79.9 | 176.2 | 155.1 | -136.2 | -0.6 | 111.8 | ||||
| 295 | S | 41.5 | Very low | 41.4 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -157.3 | 88.9 | 154.1 | -81.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 296 | N | 37.8 | Very low | 41.1 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | 27.3 | 100 | 162.5 | -61.8 | 3.7 | 0 | 0 | 0 | 119.6 | ||||
| 297 | S | 42.3 | Very low | 41.1 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -135.8 | 123.7 | 137 | 52.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 298 | A | 43.8 | Very low | 40.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -156.5 | 118.4 | 178 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 299 | V | 48.4 | Very low | 41 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | 80.5 | 131.9 | 97.2 | 98.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 300 | S | 41.8 | Very low | 40.9 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 62% | 0.622 | 83% | 0.826 | S | S | * | * | cis | -131.3 | 158.5 | 8.2 | -38.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 301 | S | 42.2 | Very low | 41.1 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | cis | 58.2 | 82.1 | 46.2 | -65.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 302 | Y | 43.5 | Very low | 41 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -140.9 | 108.1 | 147.5 | 64.3 | -84.9 | 0 | 0 | 0 | 105.9 | ||||
| 303 | S | 41.4 | Very low | 40.7 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | 63.4 | 89.3 | 79 | 73.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 304 | V | 42.8 | Very low | 40.2 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | 49.1 | 116.2 | 136 | -175.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 305 | G | 39.3 | Very low | 40.4 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 72.7 | 101.5 | 130.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 306 | G | 34.6 | Very low | 40 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 172.6 | 121.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 307 | A | 38.9 | Very low | 39.9 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -98.5 | 130 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | C | 40.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -161.5 | 120.5 | 157 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 309 | L | 43.5 | Very low | 39.5 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 62 | 112.7 | 140.8 | -54.6 | 173.9 | 0 | 0 | 0 | 120.2 | ||||
| 310 | S | 36.7 | Very low | 38.9 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 152.1 | 160.8 | -41.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 311 | P | 42.4 | Very low | 38.8 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 132.9 | 136 | -14 | 31.1 | 0 | 0 | 0 | 110.6 | ||
| 312 | K | 35.5 | Very low | 38.5 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 135.8 | 160.8 | -98.1 | -167.9 | 164.9 | -152.9 | 0 | 108.5 | E314 | K312-E314 IonicContact NZ-OE2 2.75Å; K312-E314 PolarHBondContact NZ-OE2 3.32Å |
| 313 | Y | 37.8 | Very low | 38.2 | Very low | 213 Ų | 213 | 141.2 Ų | 141.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -121.4 | 128.1 | 151.5 | 62.5 | -89.9 | 0 | 0 | 0 | 107.8 | ||||
| 314 | E | 31.3 | Very low | 38 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -131.9 | 100.6 | -176.6 | -163.2 | 163.6 | 154.2 | 0 | 0 | 105.1 | K312 | K312-E314 IonicContact NZ-OE2 2.75Å; K312-E314 PolarHBondContact NZ-OE2 3.32Å | ||
| 315 | S | 41.4 | Very low | 37.8 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -145.4 | 102.1 | -172.8 | 60.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 316 | H | 35 | Very low | 37.7 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -24.7 | 135 | 161.9 | -124.1 | -118.5 | 0 | 0 | 0 | 114.2 | E318 | H316-E318 IonicContact CE1-OE2 2.99Å; H316-E318 PolarHBondContact CE1-OE2 3.18Å; H316-E318 IonicContact ND1-OE2 3.78Å; H316-E318 IonicContact NE2-OE2 3Å | ||
| 317 | F | 35 | Very low | 37.9 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -138.2 | 76.4 | 156.4 | -172.4 | -98.4 | 0 | 0 | 0 | 107.9 | ||||
| 318 | E | 40.1 | Very low | 37.9 | Very low | 139 Ų | 139 | 150.4 Ų | 150.4 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -103.9 | 160.8 | 166.4 | -68 | -165.6 | 140.7 | 0 | 0 | 109.5 | H316 | H316-E318 IonicContact CE1-OE2 2.99Å; H316-E318 PolarHBondContact CE1-OE2 3.18Å; H316-E318 IonicContact ND1-OE2 3.78Å; H316-E318 IonicContact NE2-OE2 3Å | ||
| 319 | D | 36.8 | Very low | 37.6 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 50.4 | 113.7 | 175.3 | -69.3 | -17.3 | 0 | 0 | 0 | 119.8 | V321 | D319-V321 HydrophobicContact CB-CG2 4.37Š| ||
| 320 | W | 36.3 | Very low | 37.6 | Very low | 247 Ų | 247 | 146.7 Ų | 146.7 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -129.4 | 65 | 148.8 | -149 | 61.8 | 0 | 0 | 0 | 109.6 | ||||
| 321 | V | 39.4 | Very low | 37.7 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | trans | -131 | 158.9 | 172.3 | -68.1 | 0 | 0 | 0 | 0 | 109.7 | D319 | D319-V321 HydrophobicContact CB-CG2 4.37Š| ||
| 322 | D | 35.5 | Very low | 37.5 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | 54.7 | 85 | 171.3 | -63.4 | -52.7 | 0 | 0 | 0 | 118.6 | ||||
| 323 | D | 37.4 | Very low | 37.5 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -127.9 | 45.5 | 163.4 | -166.3 | 10.7 | 0 | 0 | 0 | 111.6 | ||||
| 324 | V | 38.3 | Very low | 37.7 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -148.9 | 70.7 | 173.5 | -162.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 325 | Q | 37.2 | Very low | 38.2 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -158.7 | 132.3 | 157.1 | -161.3 | 64 | 9.1 | 0 | 0 | 114 | ||||
| 326 | S | 37.1 | Very low | 38 | Very low | 89 Ų | 89 | 141.4 Ų | 141.4 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | 69.4 | 140.8 | 173.7 | -122.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 327 | M | 40.3 | Very low | 38.2 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 77% | 0.768 | 77% | 0.771 | S | S | * | * | cis | -144.8 | 113.5 | 33 | -82.3 | -164.8 | 160.7 | 0 | 0 | 115 | ||||
| 328 | H | 37.6 | Very low | 38.5 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | 9.6 | 134.7 | 146.1 | 45.4 | 52.2 | 0 | 0 | 0 | 122.8 | ||||
| 329 | G | 34.5 | Very low | 38.7 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -154.6 | 155.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 330 | P | 44.9 | Very low | 38.9 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -126.2 | 176.9 | -138.8 | 42.5 | -31.5 | 0 | 0 | 0 | 118.4 | ||||
| 331 | S | 38 | Very low | 39.5 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | 86.5 | 124.7 | 156.7 | -165.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 332 | G | 37.8 | Very low | 39.8 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 145.2 | 97.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 333 | G | 36.9 | Very low | 40.1 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | 98.6 | 113.7 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 334 | E | 41.3 | Very low | 40.2 | Very low | 173 Ų | 173 | 123 Ų | 123 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | trans | 67.7 | 139.2 | 148.6 | -56.2 | -49.2 | 96.1 | 0 | 0 | 123.5 | ||||
| 335 | P | 40.8 | Very low | 40.7 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | trans | -108.2 | 132.6 | -178.1 | 38.3 | -28 | 0 | 0 | 0 | 113.6 | ||||
| 336 | Y | 38.3 | Very low | 41 | Very low | 212 Ų | 212 | 116.6 Ų | 116.6 | 83% | 0.831 | 69% | 0.694 | S | S | * | * | trans | -136.9 | 125.9 | 167.9 | -88.1 | -76 | 0 | 0 | 0 | 115 | ||||
| 337 | S | 39.6 | Very low | 41.1 | Very low | 90 Ų | 90 | 116.8 Ų | 116.8 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | trans | 61.7 | 94.9 | 148.9 | -54.1 | 0 | 0 | 0 | 0 | 119.2 | E339 | S337-E339 PolarHBondContact O-N 3.26Š| ||
| 338 | A | 41.3 | Very low | 41.1 | Very low | 89 Ų | 89 | 117 Ų | 117 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 18 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 339 | E | 42.6 | Very low | 41.2 | Very low | 155 Ų | 155 | 116.2 Ų | 116.2 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -78.7 | -24.8 | -176.9 | -68.6 | -155.1 | 122.5 | 0 | 0 | 114.2 | S337 V341 E342 S343 | S337-E339 PolarHBondContact O-N 3.26Å; E339-V341 VanDerWaalsContact C-N 3.35Å; E339-V341 PolarHBondContact O-N 2.72Å; E339-E342 PolarHBondContact O-N 2.68Å; E339-S343 PolarHBondContact O-N 3.38Å |
| 340 | L | 42.1 | Very low | 41.1 | Very low | 138 Ų | 138 | 120.7 Ų | 120.7 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -71.8 | -26.8 | -172.4 | -115.7 | 169.3 | 0 | 0 | 0 | 113.7 | ||
| 341 | V | 49 | Very low | 41.2 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 66% | 0.655 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -76.9 | -31.8 | 172.9 | 69 | 0 | 0 | 0 | 0 | 111.7 | E339 M344 S345 | E339-V341 VanDerWaalsContact C-N 3.35Å; E339-V341 PolarHBondContact O-N 2.72Å; V341-M344 PolarHBondContact O-N 2.89Å; V341-S345 PolarHBondContact O-N 2.84Å |
| 342 | E | 44.4 | Very low | 41.4 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 49% | 0.491 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -75.7 | -28.1 | 176.3 | -149.5 | 61.1 | -106.6 | 0 | 0 | 111.9 | E339 M344 S345 H346 | E339-E342 PolarHBondContact O-N 2.68Å; E342-M344 VanDerWaalsContact C-N 3.26Å; E342-M344 PolarHBondContact O-N 3.24Å; E342-S345 PolarHBondContact O-N 3.37Å; E342-S345 PolarHBondContact O-OG 3.37Å; E342-S345 PolarHBondContact OE1-OG 2.84Å; E342-H346 PolarHBondContact O-N 2.89Å; E342-H346 PolarHBondContact O-ND1 3.38Å; E342-H346 IonicContact OE1-CE1 2.72Å; E342-H346 IonicContact OE1-ND1 3.37Å |
| 343 | S | 42.6 | Very low | 41.9 | Very low | 77 Ų | 77 | 125 Ų | 125 | 54% | 0.538 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -61 | -35.7 | 170.3 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | E339 S347 | E339-S343 PolarHBondContact O-N 3.38Å; S343-S347 PolarHBondContact O-N 3.34Å; S343-S347 PolarHBondContact O-OG 2.96Å |
| 344 | M | 39.5 | Very low | 42.7 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -78.7 | -22.2 | 178.8 | -66.2 | -172.2 | 70.1 | 0 | 0 | 114.3 | V341 E342 S347 | V341-M344 PolarHBondContact O-N 2.89Å; E342-M344 VanDerWaalsContact C-N 3.26Å; E342-M344 PolarHBondContact O-N 3.24Å; M344-S347 PolarHBondContact O-OG 3.21Å |
| 345 | S | 48.7 | Very low | 43.1 | Very low | 50 Ų | 50 | 123.4 Ų | 123.4 | 35% | 0.35 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -75.7 | -34.8 | 173.1 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | V341 E342 | V341-S345 PolarHBondContact O-N 2.84Å; E342-S345 PolarHBondContact O-N 3.37Å; E342-S345 PolarHBondContact O-OG 3.37Å; E342-S345 PolarHBondContact OE1-OG 2.84Å |
| 346 | H | 42.6 | Very low | 43.2 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 60% | 0.602 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -81.9 | -27.3 | -176.8 | -70.6 | 75.2 | 0 | 0 | 0 | 113.7 | E342 M348 N349 | E342-H346 PolarHBondContact O-N 2.89Å; E342-H346 PolarHBondContact O-ND1 3.38Å; E342-H346 IonicContact OE1-CE1 2.72Å; E342-H346 IonicContact OE1-ND1 3.37Å; H346-M348 PolarHBondContact O-N 2.82Å; H346-M348 VanDerWaalsContact O-N 3.11Å; H346-N349 PolarHBondContact O-N 3.33Å |
| 347 | S | 39.4 | Very low | 43.4 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -6.3 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | S343 M344 | S343-S347 PolarHBondContact O-N 3.34Å; S343-S347 PolarHBondContact O-OG 2.96Å; M344-S347 PolarHBondContact O-OG 3.21Å |
| 348 | M | 40.1 | Very low | 43.7 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 79% | 0.793 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 0.6 | 177.8 | -67.3 | -74.2 | -84.1 | 0 | 0 | 113.6 | H346 | H346-M348 PolarHBondContact O-N 2.82Å; H346-M348 VanDerWaalsContact O-N 3.11Å |
| 349 | N | 41.2 | Very low | 43.5 | Very low | 136 Ų | 136 | 126 Ų | 126 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -125.4 | 52 | -175.7 | -82.2 | -73.1 | 0 | 0 | 0 | 113.4 | H346 | H346-N349 PolarHBondContact O-N 3.33Š|
| 350 | L | 32.7 | Very low | 43.1 | Very low | 166 Ų | 166 | 123.7 Ų | 123.7 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -147.3 | 49.2 | 169.8 | -143.2 | 74.7 | 0 | 0 | 0 | 113.9 | E352 | L350-E352 PolarHBondContact O-N 3.43Š| ||
| 351 | V | 45.9 | Very low | 42.9 | Very low | 148 Ų | 148 | 121.6 Ų | 121.6 | 90% | 0.897 | 69% | 0.692 | S | S | * | * | trans | -85.5 | 102.7 | 162.1 | 150.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 352 | E | 41.7 | Very low | 42.3 | Very low | 174 Ų | 174 | 120.1 Ų | 120.1 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130.4 | 177.8 | -167.3 | 177.3 | 138.5 | 0 | 0 | 110.4 | L350 | L350-E352 PolarHBondContact O-N 3.43Š|
| 353 | P | 49.9 | Very low | 42.3 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128.4 | 180 | 29.5 | -33.1 | 0 | 0 | 0 | 110.8 | ||
| 354 | P | 53.8 | Low | 42 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -67 | 146.5 | 179.3 | 27.8 | -34.8 | 0 | 0 | 0 | 111.8 | ||
| 355 | P | 48.6 | Very low | 42 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145.2 | -177.1 | 28.7 | -35.5 | 0 | 0 | 0 | 112.4 | Y357 | P355-Y357 PolarHBondContact O-N 3.38Š|
| 356 | P | 42.7 | Very low | 41.4 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 117.2 | 179.1 | 31.1 | -33.3 | 0 | 0 | 0 | 111.5 | ||
| 357 | Y | 43.2 | Very low | 41 | Very low | 209 Ų | 209 | 135.1 Ų | 135.1 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 139.1 | 169.4 | -78.2 | -89.6 | 0 | 0 | 0 | 111.3 | P355 | P355-Y357 PolarHBondContact O-N 3.38Š|
| 358 | P | 45.3 | Very low | 40.9 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 150.9 | 179.7 | 30.4 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 359 | S | 37.6 | Very low | 41 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 58% | 0.58 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 157 | 175.4 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | T468 | S359-T468 WeakPolarHBondContact CB-OG1 3.13Š|
| 360 | N | 34.6 | Very low | 41.2 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 58% | 0.578 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145 | -169.5 | -164.3 | -12 | 0 | 0 | 0 | 112.8 | Q466 | N360-Q466 PolarHBondContact ND2-OE1 3.23Å; N360-Q466 VanDerWaalsContact ND2-OE1 3.13Å |
| 361 | A | 38.2 | Very low | 41.8 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -140.8 | 122.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 362 | A | 36.5 | Very low | 41.7 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | trans | -77.2 | 150.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 363 | Q | 43.4 | Very low | 41.7 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | -148.7 | 140.8 | 124.1 | -77.9 | -47.1 | -60.6 | 0 | 0 | 109.9 | |||||
| 364 | P | 37.1 | Very low | 41.6 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | -101.6 | 140.6 | 174.5 | 36.4 | -29.9 | 0 | 0 | 0 | 112.5 | ||||
| 365 | F | 39.6 | Very low | 41.2 | Very low | 209 Ų | 209 | 129.6 Ų | 129.6 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | trans | -149.9 | 173.8 | 158.1 | -95.6 | -66 | 0 | 0 | 0 | 111.3 | ||||
| 366 | L | 35.8 | Very low | 40.8 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | -131.1 | 144 | -138.2 | -116.8 | 162 | 0 | 0 | 0 | 115.2 | ||||
| 367 | F | 34 | Very low | 40.6 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 83.3 | 163 | 143.6 | -147.7 | -107.3 | 0 | 0 | 0 | 120.8 | ||||
| 368 | S | 37.6 | Very low | 40.4 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | 68.1 | 126.6 | 178.5 | -81 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 369 | A | 42.3 | Very low | 40 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | cis | 65.1 | 132.9 | 14.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 370 | E | 44.9 | Very low | 39.8 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | cis | -148.8 | 169.7 | 12.5 | -51.6 | 165.3 | 133.7 | 0 | 0 | 107.2 | ||||
| 371 | D | 45.6 | Very low | 39.8 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | cis | -160.8 | -171.6 | -3.4 | -153.2 | -9.3 | 0 | 0 | 0 | 110.4 | ||||
| 372 | D | 44.1 | Very low | 39.7 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 77.9 | 153.7 | 153.1 | -134.7 | -19 | 0 | 0 | 0 | 119.8 | ||||
| 373 | G | 41.9 | Very low | 40.2 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | 161.4 | -10.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 374 | V | 47.7 | Very low | 40 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 64.7 | 149.4 | 166.1 | 174.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 375 | P | 45.4 | Very low | 39.9 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -113.8 | 166.1 | -155.8 | 40.9 | -32.3 | 0 | 0 | 0 | 117.3 | ||||
| 376 | T | 39.4 | Very low | 39.6 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -161.1 | 155.7 | 146.1 | 1.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 377 | H | 39 | Very low | 39.7 | Very low | 168 Ų | 168 | 138 Ų | 138 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | 78 | 94.7 | 148.9 | -149.7 | -108.6 | 0 | 0 | 0 | 121.6 | ||||
| 378 | V | 38 | Very low | 40 | Very low | 99 Ų | 99 | 136 Ų | 136 | 60% | 0.6 | 78% | 0.777 | S | S | * | * | 96.8 | 151.7 | 122.1 | 154 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 379 | Q | 38.3 | Very low | 39.9 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 75.1 | 98.7 | 166.8 | -88.2 | 151.9 | 34.4 | 0 | 0 | 119.1 | A381 | Q379-A381 PolarHBondContact O-N 3.36Å; Q379-A381 VanDerWaalsContact O-N 3.15Å | ||
| 380 | H | 31.9 | Very low | 39.5 | Very low | 208 Ų | 208 | 138.7 Ų | 138.7 | 96% | 0.963 | 78% | 0.777 | S | S | * | * | trans | -60.7 | 107.4 | 152.5 | -80.9 | -124.5 | 0 | 0 | 0 | 109.9 | ||||
| 381 | A | 36.3 | Very low | 39.4 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -126.2 | 105.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q379 | Q379-A381 PolarHBondContact O-N 3.36Å; Q379-A381 VanDerWaalsContact O-N 3.15Å | ||
| 382 | S | 35.8 | Very low | 39.4 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 127 | 178.3 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 383 | P | 46.8 | Very low | 39.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72 | 154.6 | -172.9 | 27.7 | -34.4 | 0 | 0 | 0 | 113.9 | ||
| 384 | A | 38.8 | Very low | 39.8 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 140.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 385 | K | 34.9 | Very low | 39.7 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | 55.5 | 138.8 | 66.8 | -66.5 | -175.2 | 179.1 | 177.9 | 0 | 114.2 | |||||
| 386 | Y | 32.5 | Very low | 39.8 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 93.3 | 157.2 | 164.8 | -51.7 | -62.9 | 0 | 0 | 0 | 118.8 | ||||
| 387 | L | 39.8 | Very low | 40.3 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 71.4 | 57.1 | 172.8 | -66 | 163.3 | 0 | 0 | 0 | 118.6 | ||||
| 388 | V | 40.2 | Very low | 40.7 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -114.6 | 85.8 | 138.7 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 389 | V | 35.5 | Very low | 41 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -143.5 | 144.8 | 170.1 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 390 | N | 32.5 | Very low | 41.2 | Very low | 105 Ų | 105 | 144 Ų | 144 | 56% | 0.561 | 76% | 0.757 | S | S | * | * | trans | 76.2 | 52.4 | 172.6 | -154.2 | 17.4 | 0 | 0 | 0 | 118.4 | ||||
| 391 | T | 43.9 | Very low | 42 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -112.7 | -11 | 159.7 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 392 | Q | 45.2 | Very low | 42.7 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -100.5 | -8.8 | -175 | -158.1 | 170.1 | 86.3 | 0 | 0 | 114.3 | ||
| 393 | Q | 47.4 | Very low | 43.6 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -91.8 | -11.4 | -179.5 | -161.3 | 164.1 | 67 | 0 | 0 | 113.8 | ||
| 394 | Q | 47 | Very low | 44.2 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -84.9 | -14.8 | 179.7 | -93.3 | -176.7 | -1.2 | 0 | 0 | 115.2 | ||
| 395 | Q | 45.7 | Very low | 45.2 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -83.5 | -14.6 | -178.4 | -72.4 | -175.2 | -13.4 | 0 | 0 | 114.3 | ||
| 396 | Q | 48.2 | Very low | 46.4 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -87.2 | -2.9 | -177.5 | -71.9 | -173.2 | -9.4 | 0 | 0 | 115.2 | ||
| 397 | Q | 49.4 | Very low | 47.8 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -100.3 | -1.5 | -177 | -66.8 | -168 | 6.3 | 0 | 0 | 115.6 | ||
| 398 | Q | 47.1 | Very low | 48.9 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -99.4 | -6.8 | -175.5 | -64.6 | -166.4 | 46.2 | 0 | 0 | 115.6 | P400 | Q398-P400 VanDerWaalsContact C-CD 3.48Š|
| 399 | Q | 43.5 | Very low | 50 | Low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -21.1 | -173.2 | -66.6 | -166.9 | -5.5 | 0 | 0 | 118 | Q401 | Q399-Q401 PolarHBondContact O-N 2.93Š|
| 400 | P | 43.2 | Very low | 51.2 | Low | 95 Ų | 95 | 143 Ų | 143 | 62% | 0.617 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.7 | -24.5 | -177.3 | -26.1 | 35.9 | 0 | 0 | 0 | 116.9 | Q398 | Q398-P400 VanDerWaalsContact C-CD 3.48Å |
| 401 | Q | 49.2 | Very low | 52.5 | Low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -84.1 | -34.1 | -165.3 | -72.7 | -168 | -4.6 | 0 | 0 | 115.4 | Q399 Q403 | Q399-Q401 PolarHBondContact O-N 2.93Å; Q401-Q403 PolarHBondContact O-N 2.85Å |
| 402 | Q | 50.9 | Low | 53.1 | Low | 165 Ų | 165 | 141 Ų | 141 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.7 | -33.4 | -179.3 | -71 | -171.7 | -2 | 0 | 0 | 112.7 | Q404 Q405 Q406 | Q402-Q404 VanDerWaalsContact C-N 3.32Å; Q402-Q404 PolarHBondContact O-N 2.96Å; Q402-Q405 PolarHBondContact O-N 3.22Å; Q402-Q406 PolarHBondContact O-N 2.77Å |
| 403 | Q | 55.1 | Low | 53.6 | Low | 144 Ų | 144 | 140.1 Ų | 140.1 | 67% | 0.673 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.3 | -31.4 | -176.3 | -158.5 | 169.9 | 61.3 | 0 | 0 | 112.6 | Q401 Q407 | Q401-Q403 PolarHBondContact O-N 2.85Å; Q403-Q407 PolarHBondContact O-N 3.41Å |
| 404 | Q | 58.3 | Low | 53.9 | Low | 146 Ų | 146 | 143.1 Ų | 143.1 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.3 | -32.7 | 175.8 | -169.8 | 167.1 | 80.7 | 0 | 0 | 112.5 | Q402 Q407 Q408 | Q402-Q404 VanDerWaalsContact C-N 3.32Å; Q402-Q404 PolarHBondContact O-N 2.96Å; Q404-Q407 PolarHBondContact O-N 3.19Å; Q404-Q408 PolarHBondContact O-N 2.77Å |
| 405 | Q | 59.5 | Low | 54.2 | Low | 135 Ų | 135 | 143.6 Ų | 143.6 | 63% | 0.631 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.4 | -34.6 | 176.7 | -164.7 | 169.5 | 61.7 | 0 | 0 | 112.1 | Q402 Q408 Q409 | Q402-Q405 PolarHBondContact O-N 3.22Å; Q405-Q408 PolarHBondContact O-N 2.84Å; Q405-Q409 PolarHBondContact O-N 3.23Å |
| 406 | Q | 60.9 | Low | 54.2 | Low | 126 Ų | 126 | 144.6 Ų | 144.6 | 59% | 0.589 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.4 | -39.5 | 172.2 | -103.4 | -176.1 | 17.4 | 0 | 0 | 113 | Q402 Q408 Q409 Q410 | Q402-Q406 PolarHBondContact O-N 2.77Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 2.8Å; Q406-Q409 PolarHBondContact O-N 3.29Å; Q406-Q410 PolarHBondContact O-N 2.86Å; Q406-Q410 VanDerWaalsContact O-N 3.11Å |
| 407 | Q | 61.9 | Low | 53.9 | Low | 118 Ų | 118 | 140 Ų | 140 | 55% | 0.551 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -61.8 | -37.5 | 175 | -80.8 | -170 | 1.6 | 0 | 0 | 112.6 | Q403 Q404 Q410 Q411 | Q403-Q407 PolarHBondContact O-N 3.41Å; Q404-Q407 PolarHBondContact O-N 3.19Å; Q407-Q410 PolarHBondContact O-N 3.14Å; Q407-Q411 WeakPolarHBondContact O-CG 3.37Å; Q407-Q411 PolarHBondContact O-N 3.26Å |
| 408 | Q | 62.4 | Low | 53.6 | Low | 142 Ų | 142 | 136.4 Ų | 136.4 | 66% | 0.664 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -64.5 | -39 | 176 | -96 | -178.9 | 9.6 | 0 | 0 | 112.9 | Q404 Q405 Q406 Q411 A412 | Q404-Q408 PolarHBondContact O-N 2.77Å; Q405-Q408 PolarHBondContact O-N 2.84Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 2.8Å; Q408-Q411 PolarHBondContact O-N 3.41Å; Q408-A412 PolarHBondContact O-N 3.11Å |
| 409 | Q | 62.8 | Low | 53.4 | Low | 124 Ų | 124 | 136.7 Ų | 136.7 | 58% | 0.579 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.2 | -37.5 | 176.1 | -68.9 | -172.2 | 0.7 | 0 | 0 | 112.5 | Q405 Q406 A412 Q413 | Q405-Q409 PolarHBondContact O-N 3.23Å; Q406-Q409 PolarHBondContact O-N 3.29Å; Q409-A412 PolarHBondContact O-N 3.31Å; Q409-Q413 PolarHBondContact O-N 3.3Å |
| 410 | Q | 61.4 | Low | 53.1 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 58% | 0.584 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.1 | -36.4 | 175 | -68.3 | -177.9 | 22.9 | 0 | 0 | 112.3 | Q406 Q407 Q413 R414 | Q406-Q410 PolarHBondContact O-N 2.86Å; Q406-Q410 VanDerWaalsContact O-N 3.11Å; Q407-Q410 PolarHBondContact O-N 3.14Å; Q410-Q413 PolarHBondContact O-N 2.71Å; Q410-R414 VanDerWaalsContact O-CG 3.26Å; Q410-R414 WeakPolarHBondContact O-CG 3.37Å; Q410-R414 PolarHBondContact O-N 2.61Å |
| 411 | Q | 59.9 | Low | 52.9 | Low | 115 Ų | 115 | 139 Ų | 139 | 54% | 0.537 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -66.4 | -41.1 | 173.1 | -71.7 | 179.3 | 10.8 | 0 | 0 | 111.8 | Q407 Q408 Q413 R414 H415 | Q407-Q411 WeakPolarHBondContact O-CG 3.37Å; Q407-Q411 PolarHBondContact O-N 3.26Å; Q408-Q411 PolarHBondContact O-N 3.41Å; Q411-Q413 VanDerWaalsContact C-N 3.25Å; Q411-Q413 PolarHBondContact O-N 2.83Å; Q411-R414 PolarHBondContact O-N 2.95Å; Q411-R414 VanDerWaalsContact O-N 3.09Å; Q411-H415 PolarHBondContact O-CD2 3.33Å |
| 412 | A | 57.1 | Low | 52.6 | Low | 67 Ų | 67 | 136.6 Ų | 136.6 | 55% | 0.554 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -58.6 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q408 Q409 | Q408-A412 PolarHBondContact O-N 3.11Å; Q409-A412 PolarHBondContact O-N 3.31Å |
| 413 | Q | 55.2 | Low | 51.9 | Low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -78.3 | -22.9 | 177.5 | -66.2 | -178.4 | 10.7 | 0 | 0 | 113.7 | Q409 Q410 Q411 H415 | Q409-Q413 PolarHBondContact O-N 3.3Å; Q410-Q413 PolarHBondContact O-N 2.71Å; Q411-Q413 VanDerWaalsContact C-N 3.25Å; Q411-Q413 PolarHBondContact O-N 2.83Å; Q413-H415 PolarHBondContact O-N 2.8Å |
| 414 | R | 52.8 | Low | 51.2 | Low | 208 Ų | 208 | 133.7 Ų | 133.7 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -11.3 | 179.7 | -70.1 | -111.2 | -66.8 | -178.3 | -0.7 | 114.5 | Q410 Q411 | Q410-R414 VanDerWaalsContact O-CG 3.26Å; Q410-R414 WeakPolarHBondContact O-CG 3.37Å; Q410-R414 PolarHBondContact O-N 2.61Å; Q411-R414 PolarHBondContact O-N 2.95Å; Q411-R414 VanDerWaalsContact O-N 3.09Å |
| 415 | H | 52.7 | Low | 50.5 | Low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 8.2 | -175 | -65.3 | -63.2 | 0 | 0 | 0 | 114.8 | Q411 Q413 | Q411-H415 PolarHBondContact O-CD2 3.33Å; Q413-H415 PolarHBondContact O-N 2.8Å |
| 416 | M | 47 | Very low | 49.8 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -115.3 | 9.5 | -178.2 | -74.7 | -89.2 | -78.2 | 0 | 0 | 114.2 | ||
| 417 | G | 41.6 | Very low | 48.8 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -145.7 | 48.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 418 | A | 43.6 | Very low | 48.1 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -144.8 | 52.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 419 | N | 41.6 | Very low | 47.4 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -134.2 | 54.7 | -176.1 | -113.6 | -1.6 | 0 | 0 | 0 | 113.9 | ||||
| 420 | S | 38.3 | Very low | 46.6 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -170.5 | 139.2 | 157.1 | 47 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 421 | F | 39.4 | Very low | 45.8 | Very low | 209 Ų | 209 | 132.1 Ų | 132.1 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | 148.9 | 92.3 | 149.4 | -82.1 | -57.6 | 0 | 0 | 0 | 110.9 | ||||
| 422 | S | 41.8 | Very low | 45.1 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -134.1 | 98.6 | 164.9 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 423 | T | 37.3 | Very low | 44.4 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -15.9 | 122.6 | 163.9 | -51.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 424 | S | 40.3 | Very low | 43.9 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | -172.7 | 126.9 | 115.7 | 37.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 425 | A | 44.1 | Very low | 43.1 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | 47 | 130.5 | 136 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 426 | Q | 43.7 | Very low | 42.6 | Very low | 197 Ų | 197 | 127.2 Ų | 127.2 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | 88.4 | 116.1 | 150 | -44.7 | -152.1 | 21.1 | 0 | 0 | 120.4 | ||||
| 427 | G | 39.5 | Very low | 42.4 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | 119.4 | 99.6 | 125.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 428 | L | 48 | Very low | 42.5 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | 54.9 | 139 | 142.5 | -47.1 | 177.3 | 0 | 0 | 0 | 119 | ||||
| 429 | S | 47.5 | Very low | 42.8 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | cis | -163.4 | 162.2 | -6.1 | 50.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 430 | P | 45.9 | Very low | 42.8 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -104.9 | 134.3 | -171.3 | 36.7 | -31.6 | 0 | 0 | 0 | 115.7 | ||||
| 431 | S | 44.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -175.3 | 149.7 | 161.5 | -83.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 432 | S | 45.6 | Very low | 42.9 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | cis | -155.7 | 175.7 | -4 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 433 | L | 41 | Very low | 42.8 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -62.8 | 151.9 | 178.8 | -74.1 | 61 | 0 | 0 | 0 | 113.1 | ||||
| 434 | V | 44.8 | Very low | 43 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | -177.7 | 146.8 | 109.4 | 146 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 435 | S | 37.3 | Very low | 43.1 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -94.5 | 137.2 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 436 | G | 40.9 | Very low | 42.9 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -137.2 | 151.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 437 | K | 44.4 | Very low | 42.9 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -115.5 | 162.1 | -166.4 | -63.4 | 178 | 178.4 | 176 | 0 | 113.9 | ||||
| 438 | N | 43.1 | Very low | 42.9 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 89.8 | 149.2 | 155.1 | -61.1 | -20.3 | 0 | 0 | 0 | 119.1 | ||||
| 439 | P | 49.7 | Very low | 42.5 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -113 | 171.3 | -167.4 | 42.2 | -31.6 | 0 | 0 | 0 | 114.2 | ||||
| 440 | V | 42.5 | Very low | 42.1 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -131.5 | 132.3 | 169.2 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 441 | L | 39.6 | Very low | 41.7 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -55.5 | 162.4 | 178.1 | -168.3 | 148.6 | 0 | 0 | 0 | 115.7 | ||||
| 442 | Y | 39 | Very low | 41.3 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | 147.1 | 139.6 | 153.8 | -98.8 | -110.1 | 0 | 0 | 0 | 109.4 | ||||
| 443 | Q | 40 | Very low | 41 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -155.7 | 169.5 | -12.7 | -170.1 | 164.6 | 25.8 | 0 | 0 | 111.1 | ||||
| 444 | S | 40.7 | Very low | 40.7 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -80 | 153.4 | -162.8 | 54.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 445 | A | 43.3 | Very low | 40.6 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -175.6 | 110.7 | 131.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 446 | S | 40.6 | Very low | 40.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 68.9 | 101.5 | 69.1 | 73.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 447 | A | 42.6 | Very low | 40.1 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | 89.2 | 150.5 | 92.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 448 | K | 40.5 | Very low | 39.7 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | cis | -166.4 | 149.6 | -0.5 | -126.5 | 177.1 | -176.4 | -177 | 0 | 112 | ||||
| 449 | A | 38.7 | Very low | 39.2 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | trans | 59.6 | 145.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 450 | S | 38.5 | Very low | 38.7 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 59.5 | 160.3 | 157.3 | 86.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 451 | E | 38 | Very low | 38.2 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | cis | -146 | -171.1 | 11 | -150.4 | 140.9 | 118.3 | 0 | 0 | 115 | ||||
| 452 | Q | 37.3 | Very low | 37.8 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -72.2 | 158.8 | -164 | -53.6 | 167.5 | 5.3 | 0 | 0 | 116.4 | ||||
| 453 | H | 38.1 | Very low | 37.5 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | 179 | 152.8 | 111.9 | -166.5 | -103.2 | 0 | 0 | 0 | 112.5 | |||||
| 454 | L | 35.9 | Very low | 37.1 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -147 | 139.9 | 176.5 | -165.3 | 115.4 | 0 | 0 | 0 | 111.7 | Q456 | L454-Q456 HydrophobicContact CD2-CB 4.23Š| ||
| 455 | P | 42.1 | Very low | 36.7 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | -137.9 | 146.5 | 127.8 | 36.1 | -24.2 | 0 | 0 | 0 | 111.2 | |||||
| 456 | Q | 35.1 | Very low | 36.2 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | 87.9 | 116.8 | 32.7 | -154.2 | -167.2 | 26.5 | 0 | 0 | 115.1 | L454 | L454-Q456 HydrophobicContact CD2-CB 4.23Š| ||
| 457 | Y | 32.1 | Very low | 35.9 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | 63.6 | 152.9 | 175.8 | -62.7 | -52.3 | 0 | 0 | 0 | 115.3 | ||||
| 458 | R | 36.1 | Very low | 35.5 | Very low | 205 Ų | 205 | 139 Ų | 139 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | cis | -164.7 | 168.8 | -2.6 | -120.2 | 177.9 | 114.8 | 143 | 7.1 | 107.5 | ||||
| 459 | D | 33.4 | Very low | 35.4 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 53% | 0.529 | 74% | 0.739 | S | S | . | * | cis | -165.7 | -170.6 | -3.1 | -157.5 | -10 | 0 | 0 | 0 | 109.8 | ||||
| 460 | L | 39.3 | Very low | 35.4 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | 76.1 | 105.3 | 150.2 | -68.9 | 163.5 | 0 | 0 | 0 | 122.3 | ||||
| 461 | Y | 32.2 | Very low | 35.4 | Very low | 229 Ų | 229 | 137.1 Ų | 137.1 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | 30.8 | 128.7 | 126.5 | -78.1 | -99 | 0 | 0 | 0 | 123 | |||||
| 462 | G | 31.5 | Very low | 35.5 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | 124.9 | 101.5 | 115.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 463 | G | 31.3 | Very low | 35.5 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 88% | 0.876 | 73% | 0.734 | S | S | * | * | trans | 74.7 | 171.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 464 | S | 32 | Very low | 35.7 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | cis | -157.9 | 156.5 | -17 | -167.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 465 | Q | 33.1 | Very low | 35.8 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -29.9 | 140.1 | 172.8 | -59.3 | -94.5 | 24.2 | 0 | 0 | 119.3 | ||||
| 466 | Q | 30.9 | Very low | 35.8 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | 176.2 | 162.7 | 103.1 | -95.9 | -168.2 | 4 | 0 | 0 | 115.2 | N360 | N360-Q466 PolarHBondContact ND2-OE1 3.23Å; N360-Q466 VanDerWaalsContact ND2-OE1 3.13Å | |||
| 467 | A | 34.9 | Very low | 35.9 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | trans | -95.1 | 174.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 468 | T | 33.9 | Very low | 36.1 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 52% | 0.521 | 75% | 0.746 | S | S | . | * | -165.1 | 135.3 | 68.7 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | S359 | S359-T468 WeakPolarHBondContact CB-OG1 3.13Š| |||
| 469 | S | 39.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | 68.7 | 115.5 | 76 | -169.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 470 | S | 38.9 | Very low | 36.4 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -178.5 | 129.5 | 140.9 | -97.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 471 | N | 37.1 | Very low | 36.6 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 56.9 | 123.9 | 133.6 | -74.1 | -78.1 | 0 | 0 | 0 | 124.5 | ||||
| 472 | R | 40.3 | Very low | 36.8 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | -174 | 128.9 | 103.8 | -101.8 | -168.6 | 178.2 | -159.8 | -1.4 | 112.5 | |||||
| 473 | M | 39.1 | Very low | 37.1 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | 71.1 | 144.9 | 104 | -72.5 | -178 | -177.8 | 0 | 0 | 116.4 | |||||
| 474 | L | 41.6 | Very low | 37.3 | Very low | 149 Ų | 149 | 138 Ų | 138 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | cis | -151.9 | -177.6 | 12.1 | -125.4 | 165.1 | 0 | 0 | 0 | 113.4 | ||||
| 475 | R | 37.5 | Very low | 37.5 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -95.1 | 165.6 | -166.4 | -61.6 | 162.7 | 157.6 | -127.1 | -0.7 | 115.6 | ||||
| 476 | Q | 41.5 | Very low | 37.5 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | 175.9 | 177.2 | 126.8 | -94.5 | 178.3 | 109 | 0 | 0 | 111.1 | |||||
| 477 | V | 37 | Very low | 37.9 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 62% | 0.618 | 77% | 0.771 | S | S | * | * | -174.2 | 160.8 | -62.8 | 136.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 478 | L | 38.2 | Very low | 38 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 69.8 | 149.2 | 171.4 | -102.3 | 54.2 | 0 | 0 | 0 | 116.6 | ||||
| 479 | T | 40.8 | Very low | 38 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | cis | -159.4 | 171 | -18.1 | 0.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 480 | K | 34.7 | Very low | 38 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -90.7 | -169.9 | 171.9 | -49 | -179.4 | -179.4 | 179.2 | 0 | 111.3 | ||||
| 481 | P | 42 | Very low | 37.8 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | cis | -131 | -160.1 | -8.1 | 41.2 | -20.9 | 0 | 0 | 0 | 114 | ||||
| 482 | G | 36.3 | Very low | 37.9 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -135 | -170.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 483 | T | 39.5 | Very low | 37.7 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | trans | -148.7 | 159.6 | -176 | 37 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 484 | S | 34.3 | Very low | 37.8 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -98.2 | 164.3 | 179.8 | -46.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 485 | N | 36.5 | Very low | 37.9 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -163.4 | 175.8 | 140.8 | -105.5 | -33.5 | 0 | 0 | 0 | 113.5 | ||||
| 486 | S | 34.1 | Very low | 37.9 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -122.6 | -167.8 | -156.7 | -167.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 487 | V | 38.5 | Very low | 37.7 | Very low | 143 Ų | 143 | 137 Ų | 137 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | 73 | 143.2 | 174.4 | -48.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 488 | G | 37.2 | Very low | 37.8 | Very low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 173.5 | 153.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 489 | F | 33.4 | Very low | 37.9 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | 31.8 | 136.1 | 157.9 | -68.2 | -84.2 | 0 | 0 | 0 | 124.5 | ||||
| 490 | L | 39.2 | Very low | 37.8 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | 168.4 | 114.9 | 120.7 | -86.7 | 163.8 | 0 | 0 | 0 | 108.1 | |||||
| 491 | N | 34.2 | Very low | 37.9 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | 74.7 | 117.7 | 64.3 | 179.6 | 43 | 0 | 0 | 0 | 115.7 | N493 | N491-N493 PolarHBondContact OD1-ND2 2.87Š| |||
| 492 | Q | 40.9 | Very low | 37.4 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -148.9 | 145.3 | 136 | -83 | -132.2 | 60.8 | 0 | 0 | 110.4 | ||||
| 493 | N | 35 | Very low | 37.6 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -130.1 | 144.1 | -174.5 | -88.8 | -52.9 | 0 | 0 | 0 | 110.8 | N491 | N491-N493 PolarHBondContact OD1-ND2 2.87Š| ||
| 494 | S | 41 | Very low | 37.4 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 170.3 | 145.1 | 154.1 | -85.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 495 | V | 44.2 | Very low | 37.5 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 65% | 0.648 | 77% | 0.774 | S | S | * | * | cis | -155.9 | 151.3 | -1.3 | -107.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 496 | R | 38.5 | Very low | 37.5 | Very low | 221 Ų | 221 | 142.6 Ų | 142.6 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 62.5 | 126.9 | 152.3 | -64.1 | 161.2 | -177.4 | 164.4 | 0.3 | 118.6 | ||||
| 497 | S | 35.6 | Very low | 37.8 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | 97.6 | 142 | 14.8 | 84.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 498 | V | 40.3 | Very low | 37.8 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | 101.8 | 122.7 | 148.5 | 171.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 499 | L | 39.4 | Very low | 38.1 | Very low | 144 Ų | 144 | 153.9 Ų | 153.9 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 70.2 | 149.1 | 160 | -70.5 | 170.5 | 0 | 0 | 0 | 120 | ||||
| 500 | M | 39.8 | Very low | 38.4 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | cis | -155.1 | 117.3 | -15.4 | -164.2 | -169.6 | -61.7 | 0 | 0 | 106.5 | ||||
| 501 | Q | 36.4 | Very low | 38.9 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | 68.1 | 125.5 | 87.5 | -141.3 | -179.8 | 3.4 | 0 | 0 | 117.8 | |||||
| 502 | D | 31.9 | Very low | 39.2 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | 64 | 121.7 | 157.5 | -158.2 | 26 | 0 | 0 | 0 | 122.5 | S504 | D502-S504 PolarHBondContact OD1-N 3.07Š| ||
| 503 | L | 40.7 | Very low | 39.1 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | -162.1 | 104.3 | 122.4 | -114.2 | 165.7 | 0 | 0 | 0 | 111 | |||||
| 504 | S | 34.7 | Very low | 39.4 | Very low | 87 Ų | 87 | 147.2 Ų | 147.2 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -96 | 166.7 | 177.1 | -64.2 | 0 | 0 | 0 | 0 | 114 | D502 | D502-S504 PolarHBondContact OD1-N 3.07Š| ||
| 505 | Q | 36.6 | Very low | 39.1 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | 80.5 | 117.3 | 164.2 | -48.4 | -178.3 | 83.9 | 0 | 0 | 118.7 | ||||
| 506 | M | 35.6 | Very low | 39 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | -157.9 | 156.3 | 107.3 | -144.5 | 158.9 | -71.3 | 0 | 0 | 113.1 | |||||
| 507 | L | 40.3 | Very low | 38.9 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -21.7 | 137.2 | 179.1 | -79.3 | 55.5 | 0 | 0 | 0 | 118.4 | ||||
| 508 | R | 38.7 | Very low | 39 | Very low | 234 Ų | 234 | 148.7 Ų | 148.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | 81.1 | 156.6 | 57.2 | -76.8 | -169 | 175 | -165.1 | 0.5 | 115.1 | |||||
| 509 | I | 44.6 | Very low | 39 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | 81.9 | 136.7 | -173.1 | -49.4 | 161.4 | 0 | 0 | 0 | 112.1 | ||||
| 510 | G | 39.2 | Very low | 39.2 | Very low | 64 Ų | 64 | 154.3 Ų | 154.3 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | cis | 160.4 | 125.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 511 | P | 48.7 | Very low | 39 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | trans | -103.3 | 164.3 | -168.3 | 39.1 | -36.2 | 0 | 0 | 0 | 115.6 | ||||
| 512 | Q | 40.6 | Very low | 39.5 | Very low | 185 Ų | 185 | 159.2 Ų | 159.2 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -154.1 | 170.2 | 169.1 | -95.1 | -101.1 | 30.5 | 0 | 0 | 112 | ||||
| 513 | Q | 38.3 | Very low | 40 | Very low | 177 Ų | 177 | 161.7 Ų | 161.7 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | trans | -104.1 | 161.6 | -162.7 | -56 | 165.1 | -38 | 0 | 0 | 114.6 | ||||
| 514 | A | 41.6 | Very low | 40.1 | Very low | 105 Ų | 105 | 162.4 Ų | 162.4 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -176 | 143.3 | 136.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 515 | Q | 35.6 | Very low | 40.6 | Very low | 184 Ų | 184 | 165.8 Ų | 165.8 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -144.9 | 152.7 | 153.2 | -132.6 | -159.3 | 75 | 0 | 0 | 105.9 | ||||
| 516 | P | 41.5 | Very low | 40.7 | Very low | 110 Ų | 110 | 167.7 Ų | 167.7 | 71% | 0.714 | 84% | 0.837 | S | S | * | * | -162 | -180 | 80.9 | 43.5 | -22.3 | 0 | 0 | 0 | 118.1 | |||||
| 517 | S | 35.8 | Very low | 41.2 | Very low | 95 Ų | 95 | 165.2 Ų | 165.2 | 66% | 0.664 | 83% | 0.827 | S | S | * | * | trans | 52.4 | 121.1 | 140.6 | -66.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 518 | Q | 38.7 | Very low | 41.4 | Very low | 185 Ų | 185 | 164 Ų | 164 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | 51 | 120.4 | 135.4 | -57.1 | -171 | 18 | 0 | 0 | 122.4 | ||||
| 519 | Q | 41 | Very low | 41.5 | Very low | 194 Ų | 194 | 158.5 Ų | 158.5 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -162.6 | 170.5 | 135.3 | -117.6 | 178.3 | 16.2 | 0 | 0 | 114.5 | ||||
| 520 | M | 41.9 | Very low | 41.5 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | 63.1 | 96.1 | 173.8 | -70 | -156.8 | -74 | 0 | 0 | 119.8 | ||||
| 521 | R | 37.5 | Very low | 41.6 | Very low | 240 Ų | 240 | 158 Ų | 158 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -133.1 | 114.7 | 152.1 | -134.2 | -167.5 | -174 | -166.7 | 2.4 | 107.8 | ||||
| 522 | Q | 45.2 | Very low | 41.1 | Very low | 194 Ų | 194 | 157.2 Ų | 157.2 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -177.7 | 169.8 | 158.9 | -109.8 | 168.2 | 79.1 | 0 | 0 | 112.4 | ||||
| 523 | Q | 43.1 | Very low | 41.2 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 75.1 | 129.2 | -168.7 | -53 | -175.5 | 13.3 | 0 | 0 | 114.6 | ||||
| 524 | Q | 43.7 | Very low | 41.4 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | cis | -154 | 156 | -15.6 | -133.8 | 173.9 | 23.9 | 0 | 0 | 111.1 | ||||
| 525 | N | 45 | Very low | 41.4 | Very low | 159 Ų | 159 | 156 Ų | 156 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -87.9 | 139.1 | -172.6 | -73.3 | -18.7 | 0 | 0 | 0 | 114.5 | ||||
| 526 | R | 38.5 | Very low | 42.1 | Very low | 226 Ų | 226 | 152.6 Ų | 152.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -162.1 | 140.4 | 132.9 | -74.7 | -151.3 | 178.9 | -133.8 | -1 | 108.7 | ||||
| 527 | L | 46.2 | Very low | 42.2 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 64% | 0.644 | 81% | 0.808 | S | S | * | * | cis | -159.9 | 142.8 | -12 | -100.1 | 173 | 0 | 0 | 0 | 107.8 | ||||
| 528 | T | 44 | Very low | 42.5 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | trans | 52.2 | 138.7 | 142.8 | 60.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 529 | T | 40.5 | Very low | 42.6 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | cis | 139 | 140.3 | 28.5 | -86.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 530 | V | 45 | Very low | 42.8 | Very low | 120 Ų | 120 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -157.1 | 159.3 | -10.1 | -93.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 531 | S | 42 | Very low | 43.3 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 45.6 | 117.4 | 140.8 | -56.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 532 | S | 37.6 | Very low | 43.6 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -65 | 158.1 | 142.3 | -23.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 533 | S | 42 | Very low | 43.8 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -175 | 117.3 | 135.1 | -84.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 534 | L | 42.6 | Very low | 44.8 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | 69 | 159 | 134.3 | -57 | 174.1 | 0 | 0 | 0 | 122 | ||||
| 535 | L | 43 | Very low | 45.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -107.4 | -166.9 | -170.3 | -57.8 | 171.6 | 0 | 0 | 0 | 109.1 | ||||
| 536 | P | 50.3 | Low | 47.2 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -146.7 | -174.1 | 5.4 | 42.5 | -21.2 | 0 | 0 | 0 | 118.7 | ||||
| 537 | V | 43.3 | Very low | 48.9 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 100.2 | 135.5 | 139.6 | 94.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 538 | A | 41.9 | Very low | 49.8 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | 63.9 | 143.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 539 | Q | 41.4 | Very low | 51 | Low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -159.2 | -179 | -11.4 | -132.3 | 180 | -84.6 | 0 | 0 | 110.7 | ||||
| 540 | E | 44.2 | Very low | 51.1 | Low | 127 Ų | 127 | 130 Ų | 130 | 59% | 0.593 | 77% | 0.773 | S | S | * | * | trans | 69 | 105.9 | 166.1 | -56.9 | -42 | 92.5 | 0 | 0 | 123 | ||||
| 541 | L | 51.6 | Low | 51.2 | Low | 156 Ų | 156 | 130 Ų | 130 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 79.5 | 151.2 | 133.4 | -60.6 | 175.3 | 0 | 0 | 0 | 122 | ||||
| 542 | P | 44.5 | Very low | 51.6 | Low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -114.7 | 167.3 | -165.5 | 42.2 | -31.5 | 0 | 0 | 0 | 115.1 | ||||
| 543 | F | 49.7 | Very low | 52.3 | Low | 218 Ų | 218 | 133.2 Ų | 133.2 | 96% | 0.956 | 78% | 0.779 | S | S | * | * | trans | -141.1 | 154.5 | 161 | -146 | -98.9 | 0 | 0 | 0 | 112.7 | ||||
| 544 | A | 64.4 | Low | 52.2 | Low | 73 Ų | 73 | 133.9 Ų | 133.9 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 161 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 545 | P | 65.5 | Low | 52.3 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 158.3 | 175.7 | 29.9 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 546 | P | 72.9 | Confident | 52.3 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 147.7 | -169.8 | 31.2 | -36.4 | 0 | 0 | 0 | 114.7 | ||
| 547 | P | 73.6 | Confident | 51.9 | Low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 163.3 | 174.2 | 36.3 | -35.8 | 0 | 0 | 0 | 113.4 | ||
| 548 | P | 66.2 | Low | 51.7 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 150.9 | 173.3 | 33.8 | -35.1 | 0 | 0 | 0 | 112.7 | ||
| 549 | P | 69 | Low | 51.6 | Low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 136.5 | 178.5 | 33.4 | -33.5 | 0 | 0 | 0 | 113.3 | ||
| 550 | L | 41.6 | Very low | 51.5 | Low | 164 Ų | 164 | 141.6 Ų | 141.6 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -137.5 | 119.9 | 162.9 | -87.1 | 172.9 | 0 | 0 | 0 | 109 | ||||
| 551 | S | 47.3 | Very low | 51.2 | Low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -154.3 | 132.6 | 168.7 | -78.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 552 | H | 51.4 | Low | 50.5 | Low | 175 Ų | 175 | 141.9 Ų | 141.9 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -90.3 | -161 | 166.2 | -54.6 | -97.9 | 0 | 0 | 0 | 108.2 | ||||
| 553 | P | 52.2 | Low | 50.4 | Low | 115 Ų | 115 | 144.4 Ų | 144.4 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -135 | -179.4 | -12.4 | 42.2 | -26.4 | 0 | 0 | 0 | 114 | ||||
| 554 | S | 40 | Very low | 50.1 | Low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | -176 | 154.9 | 123.5 | -83.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 555 | A | 44.4 | Very low | 49 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -60.1 | 151.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 556 | Q | 42 | Very low | 47.8 | Very low | 201 Ų | 201 | 141.9 Ų | 141.9 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | -150 | 167.1 | 112.5 | -112.9 | 176.2 | -0.4 | 0 | 0 | 111.5 | |||||
| 557 | Q | 42.4 | Very low | 46.2 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -141.5 | 125.1 | -154.3 | 174.8 | -170.1 | 29.5 | 0 | 0 | 111.1 | ||||
| 558 | Q | 40.6 | Very low | 44.8 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -150.4 | 151.5 | 158.6 | -154.9 | 153.5 | 21.2 | 0 | 0 | 111.5 | ||||
| 559 | Q | 38 | Very low | 43.9 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | trans | -115 | 143.8 | -166.3 | -59 | 163.7 | -65.5 | 0 | 0 | 112.3 | ||||
| 560 | Q | 40 | Very low | 42.7 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -178.6 | 101.5 | 144.1 | -98 | 146.3 | 105.3 | 0 | 0 | 105.9 | ||||
| 561 | Q | 39 | Very low | 42.8 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | 67.8 | 100.5 | 73.7 | -69.8 | -158.7 | 36.1 | 0 | 0 | 115.3 | |||||
| 562 | L | 35.5 | Very low | 42.7 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | 63.5 | 156.8 | 145.2 | -50.3 | 170.8 | 0 | 0 | 0 | 116.3 | ||||
| 563 | H | 43.2 | Very low | 42.5 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | cis | -140 | 165.2 | 14.8 | -61.4 | -106 | 0 | 0 | 0 | 110.8 | ||||
| 564 | P | 43.2 | Very low | 42.2 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -88.1 | 174.7 | 171.5 | 36.6 | -35.7 | 0 | 0 | 0 | 113.8 | ||||
| 565 | N | 41.1 | Very low | 42.5 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | 82.1 | 121.8 | -177.3 | -55.8 | -36.5 | 0 | 0 | 0 | 115.5 | ||||
| 566 | G | 41 | Very low | 43 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 178.1 | 76.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 567 | Q | 38.5 | Very low | 43.2 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -61.8 | 129.2 | -174 | -170.7 | 79.1 | 3 | 0 | 0 | 112.8 | ||||
| 568 | L | 44 | Very low | 43.3 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | trans | -135.1 | 151.9 | 157 | -76.9 | 176.8 | 0 | 0 | 0 | 109.6 | ||||
| 569 | P | 47.3 | Very low | 43.5 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | trans | -88.3 | 146.6 | -149.9 | -13 | 31.2 | 0 | 0 | 0 | 115.8 | E571 | P569-E571 HydrophobicContact CB-CB 4.4Å; P569-E571 HydrophobicContact CB-CG 3.98Å; P569-E571 PolarHBondContact O-N 3.22Å | ||
| 570 | S | 45.1 | Very low | 43.9 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 58% | 0.58 | 72% | 0.721 | S | S | * | * | trans | -77.1 | 10.2 | 174.7 | -45.9 | 0 | 0 | 0 | 0 | 114.9 | L572 S573 | S570-L572 PolarHBondContact O-N 3.04Å; S570-S573 PolarHBondContact O-N 3.15Å; S570-S573 PolarHBondContact O-OG 3.47Å; S570-S573 VanDerWaalsContact O-OG 3.07Å | ||
| 571 | E | 41.9 | Very low | 44.6 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 3.9 | -170.1 | -72.5 | -90.4 | 103 | 0 | 0 | 115.5 | P569 M575 | P569-E571 HydrophobicContact CB-CB 4.4Å; P569-E571 HydrophobicContact CB-CG 3.98Å; P569-E571 PolarHBondContact O-N 3.22Å; E571-M575 WeakPolarHBondContact O-CE 3.24Å |
| 572 | L | 46.5 | Very low | 45 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -8.6 | 178.8 | -91.2 | 166.6 | 0 | 0 | 0 | 114.6 | S570 | S570-L572 PolarHBondContact O-N 3.04Š|
| 573 | S | 46.4 | Very low | 45.8 | Very low | 53 Ų | 53 | 131.1 Ų | 131.1 | 37% | 0.371 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -43.9 | 174.6 | 49.6 | 0 | 0 | 0 | 0 | 112 | S570 M576 Y577 | S570-S573 PolarHBondContact O-N 3.15Å; S570-S573 PolarHBondContact O-OG 3.47Å; S570-S573 VanDerWaalsContact O-OG 3.07Å; S573-M576 WeakPolarHBondContact O-CB 3.23Å; S573-M576 PolarHBondContact O-N 2.81Å; S573-M576 VanDerWaalsContact O-N 3.15Å; S573-Y577 WeakPolarHBondContact O-CD2 3.12Å |
| 574 | D | 46.6 | Very low | 46.4 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -81.2 | -29.5 | -162.1 | -61.6 | 6.6 | 0 | 0 | 0 | 111.7 | M576 Y577 D578 | D574-M576 PolarHBondContact O-N 2.78Å; D574-Y577 PolarHBondContact O-N 3.2Å; D574-D578 PolarHBondContact O-N 3.06Å |
| 575 | M | 46.4 | Very low | 47.6 | Very low | 151 Ų | 151 | 126 Ų | 126 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -66.9 | 0.4 | 168.7 | -68.3 | -163.8 | -64.9 | 0 | 0 | 114.3 | E571 | E571-M575 WeakPolarHBondContact O-CE 3.24Š|
| 576 | M | 55.3 | Low | 48.6 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 70% | 0.7 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -107.6 | -1.1 | 176.2 | -134.9 | 179.4 | 68.8 | 0 | 0 | 113.7 | S573 D574 | S573-M576 WeakPolarHBondContact O-CB 3.23Å; S573-M576 PolarHBondContact O-N 2.81Å; S573-M576 VanDerWaalsContact O-N 3.15Å; D574-M576 PolarHBondContact O-N 2.78Å |
| 577 | Y | 46.3 | Very low | 49.7 | Very low | 185 Ų | 185 | 124.5 Ų | 124.5 | 73% | 0.725 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | -27.6 | 179.8 | -70.8 | -71 | 0 | 0 | 0 | 114.2 | S573 D574 T579 | S573-Y577 WeakPolarHBondContact O-CD2 3.12Å; D574-Y577 PolarHBondContact O-N 3.2Å; Y577-T579 VanDerWaalsContact C-N 3.31Å; Y577-T579 PolarHBondContact O-N 2.76Å |
| 578 | D | 42.7 | Very low | 51.1 | Low | 144 Ų | 144 | 119.8 Ų | 119.8 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | trans | -83 | 73.9 | 169 | -85.8 | -37.8 | 0 | 0 | 0 | 111.9 | D574 | D574-D578 PolarHBondContact O-N 3.06Š| ||
| 579 | T | 46.5 | Very low | 51.9 | Low | 104 Ų | 104 | 116.1 Ų | 116.1 | 64% | 0.638 | 61% | 0.613 | S | S | * | * | trans | -141.7 | 92.1 | 146.9 | -51.1 | 0 | 0 | 0 | 0 | 108.7 | Y577 I581 | Y577-T579 VanDerWaalsContact C-N 3.31Å; Y577-T579 PolarHBondContact O-N 2.76Å; T579-I581 HydrophobicContact CG2-CD1 4.36Å; T579-I581 HydrophobicContact CG2-CG1 3.61Å; T579-I581 PolarHBondContact O-N 3Å | ||
| 580 | D | 46 | Very low | 52.9 | Low | 140 Ų | 140 | 118.2 Ų | 118.2 | 75% | 0.749 | 61% | 0.608 | S | S | * | * | trans | -60.7 | 87 | 160.3 | -103.4 | -45.2 | 0 | 0 | 0 | 108.5 | Q582 | D580-Q582 HydrophobicContact CB-CG 4.4Å; D580-Q582 PolarHBondContact O-N 2.76Å | ||
| 581 | I | 53.3 | Low | 53.8 | Low | 132 Ų | 132 | 120.5 Ų | 120.5 | 68% | 0.677 | 61% | 0.609 | S | S | * | * | trans | -74.4 | 59.7 | 162.2 | -47.9 | -179.5 | 0 | 0 | 0 | 107.4 | T579 C583 | T579-I581 HydrophobicContact CG2-CD1 4.36Å; T579-I581 HydrophobicContact CG2-CG1 3.61Å; T579-I581 PolarHBondContact O-N 3Å; I581-C583 HydrophobicContact CG2-CB 4.03Å; I581-C583 PolarHBondContact O-N 3.04Å | ||
| 582 | Q | 49 | Very low | 54.6 | Low | 163 Ų | 163 | 119.1 Ų | 119.1 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | trans | -66.2 | 71.1 | 147.2 | -64.7 | -162.4 | -70.9 | 0 | 0 | 107.1 | D580 D584 | D580-Q582 HydrophobicContact CB-CG 4.4Å; D580-Q582 PolarHBondContact O-N 2.76Å; Q582-D584 PolarHBondContact O-N 3.28Å | ||
| 583 | C | 52.3 | Low | 55.2 | Low | 88 Ų | 88 | 117.8 Ų | 117.8 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | trans | -63.2 | 81.4 | 154.6 | 53.9 | 0 | 0 | 0 | 0 | 106.2 | I581 I585 | I581-C583 HydrophobicContact CG2-CB 4.03Å; I581-C583 PolarHBondContact O-N 3.04Å; C583-I585 VanDerWaalsContact C-N 3.32Å; C583-I585 PolarHBondContact O-N 3.11Å | ||
| 584 | D | 56.1 | Low | 55.8 | Low | 54 Ų | 54 | 122 Ų | 122 | 29% | 0.289 | 61% | 0.614 | S | S | . | * | trans | -52 | 101.5 | 174.5 | 169.1 | 5.8 | 0 | 0 | 0 | 106.1 | Q582 D586 Q587 V588 R590 | Q582-D584 PolarHBondContact O-N 3.28Å; D584-D586 PolarHBondContact O-N 3.15Å; D584-D586 WeakPolarHBondContact OD1-CB 3.43Å; D584-D586 PolarHBondContact OD1-N 3.41Å; D584-D586 VanDerWaalsContact OD1-N 3.14Å; D584-Q587 HydrophobicContact CB-CB 3.92Å; D584-Q587 HydrophobicContact CB-CG 4.38Å; D584-Q587 CarbonylContact O-C 3.6Å; D584-Q587 WeakPolarHBondContact O-CA 3.24Å; D584-Q587 WeakPolarHBondContact O-CB 3.23Å; D584-Q587 PolarHBondContact O-N 3.31Å; D584-Q587 PolarHBondContact OD1-N 3.49Å; D584-Q587 VanDerWaalsContact OD2-CG 3.24Å; D584-Q587 WeakPolarHBondContact OD2-CG 3.24Å; D584-Q587 PolarHBondContact OD2-NE2 3.39Å; D584-V588 PolarHBondContact O-N 3.27Å; D584-R590 IonicContact OD1-NH2 3.79Å; D584-R590 IonicContact OD2-NH2 3.51Å; D584-R590 PolarHBondContact OD2-NH2 3.37Å | ||
| 585 | I | 68.1 | Low | 56.4 | Low | 112 Ų | 112 | 122.7 Ų | 122.7 | 57% | 0.574 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.1 | -26.7 | -169.3 | -162.4 | 166.1 | 0 | 0 | 0 | 109.6 | C583 V588 I589 | C583-I585 VanDerWaalsContact C-N 3.32Å; C583-I585 PolarHBondContact O-N 3.11Å; I585-V588 PolarHBondContact O-N 3.48Å; I585-I589 HydrophobicContact CG1-CD1 4.13Å; I585-I589 VanDerWaalsContact O-CB 3.24Å; I585-I589 WeakPolarHBondContact O-CB 3.13Å; I585-I589 WeakPolarHBondContact O-CD1 3.4Å; I585-I589 WeakPolarHBondContact O-CG1 3.15Å; I585-I589 PolarHBondContact O-N 3.24Å |
| 586 | D | 60.5 | Low | 56.7 | Low | 96 Ų | 96 | 118.5 Ų | 118.5 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.8 | -29.1 | 170.7 | -63.7 | -58.5 | 0 | 0 | 0 | 111.8 | D584 R590 | D584-D586 PolarHBondContact O-N 3.15Å; D584-D586 WeakPolarHBondContact OD1-CB 3.43Å; D584-D586 PolarHBondContact OD1-N 3.41Å; D584-D586 VanDerWaalsContact OD1-N 3.14Å; D586-R590 VanDerWaalsContact C-NE 3.31Å; D586-R590 VanDerWaalsContact C-NH2 3.34Å; D586-R590 WeakPolarHBondContact O-CB 3.34Å; D586-R590 WeakPolarHBondContact O-CG 3.36Å; D586-R590 PolarHBondContact O-N 3.24Å; D586-R590 PolarHBondContact O-NE 3.28Å |
| 587 | Q | 65 | Low | 56.1 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 56% | 0.556 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.6 | -41.6 | 169.4 | -97.3 | 177.5 | 88.5 | 0 | 0 | 112.1 | D584 I589 R590 H591 | D584-Q587 HydrophobicContact CB-CB 3.92Å; D584-Q587 HydrophobicContact CB-CG 4.38Å; D584-Q587 CarbonylContact O-C 3.6Å; D584-Q587 WeakPolarHBondContact O-CA 3.24Å; D584-Q587 WeakPolarHBondContact O-CB 3.23Å; D584-Q587 PolarHBondContact O-N 3.31Å; D584-Q587 PolarHBondContact OD1-N 3.49Å; D584-Q587 VanDerWaalsContact OD2-CG 3.24Å; D584-Q587 WeakPolarHBondContact OD2-CG 3.24Å; D584-Q587 PolarHBondContact OD2-NE2 3.39Å; Q587-I589 VanDerWaalsContact C-N 3.35Å; Q587-R590 PolarHBondContact O-N 3.46Å; Q587-H591 WeakPolarHBondContact O-CB 3.41Å; Q587-H591 PolarHBondContact O-N 3.09Å |
| 588 | V | 67.1 | Low | 56.2 | Low | 77 Ų | 77 | 113.6 Ų | 113.6 | 47% | 0.467 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.9 | -45.6 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | D584 I585 H591 E592 | D584-V588 PolarHBondContact O-N 3.27Å; I585-V588 PolarHBondContact O-N 3.48Å; V588-H591 PolarHBondContact O-N 3.46Å; V588-E592 HydrophobicContact CG1-CG 4.31Å; V588-E592 WeakPolarHBondContact O-CB 3.4Å; V588-E592 WeakPolarHBondContact O-CG 3.41Å; V588-E592 PolarHBondContact O-N 3.17Å |
| 589 | I | 62.5 | Low | 56.6 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 41% | 0.405 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.1 | -44.8 | 174.1 | -71.1 | 165.3 | 0 | 0 | 0 | 111 | I585 Q587 H591 L593 | I585-I589 HydrophobicContact CG1-CD1 4.13Å; I585-I589 VanDerWaalsContact O-CB 3.24Å; I585-I589 WeakPolarHBondContact O-CB 3.13Å; I585-I589 WeakPolarHBondContact O-CD1 3.4Å; I585-I589 WeakPolarHBondContact O-CG1 3.15Å; I585-I589 PolarHBondContact O-N 3.24Å; Q587-I589 VanDerWaalsContact C-N 3.35Å; I589-H591 VanDerWaalsContact C-N 3.29Å; I589-H591 PolarHBondContact O-N 3.01Å; I589-L593 HydrophobicContact CG2-CD1 3.58Å; I589-L593 HydrophobicContact CG2-CG 4.2Å; I589-L593 VanDerWaalsContact O-CB 3.23Å; I589-L593 WeakPolarHBondContact O-CB 3.34Å; I589-L593 VanDerWaalsContact O-CG 3.24Å; I589-L593 WeakPolarHBondContact O-CG 3.26Å; I589-L593 PolarHBondContact O-N 3.39Å |
| 590 | R | 67.4 | Low | 56.8 | Low | 144 Ų | 144 | 114.6 Ų | 114.6 | 54% | 0.543 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.3 | -32.4 | 175.1 | -82.6 | 171.6 | -81.1 | 158.3 | -2.3 | 112.8 | D584 D586 Q587 N594 | D584-R590 IonicContact OD1-NH2 3.79Å; D584-R590 IonicContact OD2-NH2 3.51Å; D584-R590 PolarHBondContact OD2-NH2 3.37Å; D586-R590 VanDerWaalsContact C-NE 3.31Å; D586-R590 VanDerWaalsContact C-NH2 3.34Å; D586-R590 WeakPolarHBondContact O-CB 3.34Å; D586-R590 WeakPolarHBondContact O-CG 3.36Å; D586-R590 PolarHBondContact O-N 3.24Å; D586-R590 PolarHBondContact O-NE 3.28Å; Q587-R590 PolarHBondContact O-N 3.46Å; R590-N594 WeakPolarHBondContact O-CB 3.41Å; R590-N594 PolarHBondContact O-N 3.33Å |
| 591 | H | 62.9 | Low | 57.1 | Low | 130 Ų | 130 | 116.3 Ų | 116.3 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.8 | -46.1 | -180 | -162.8 | -84.3 | 0 | 0 | 0 | 112.1 | Q587 V588 I589 N594 I595 | Q587-H591 WeakPolarHBondContact O-CB 3.41Å; Q587-H591 PolarHBondContact O-N 3.09Å; V588-H591 PolarHBondContact O-N 3.46Å; I589-H591 VanDerWaalsContact C-N 3.29Å; I589-H591 PolarHBondContact O-N 3.01Å; H591-N594 PolarHBondContact O-N 3.41Å; H591-I595 WeakPolarHBondContact O-CG1 3.44Å; H591-I595 PolarHBondContact O-N 3.38Å |
| 592 | E | 60.5 | Low | 56.7 | Low | 130 Ų | 130 | 114.5 Ų | 114.5 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.8 | -46.2 | 175.8 | -71.8 | -78.8 | 102.2 | 0 | 0 | 111.6 | V588 N594 I595 | V588-E592 HydrophobicContact CG1-CG 4.31Å; V588-E592 WeakPolarHBondContact O-CB 3.4Å; V588-E592 WeakPolarHBondContact O-CG 3.41Å; V588-E592 PolarHBondContact O-N 3.17Å; E592-N594 VanDerWaalsContact C-N 3.32Å; E592-N594 PolarHBondContact O-N 3.24Å; E592-I595 PolarHBondContact O-N 3.24Å |
| 593 | L | 58.8 | Low | 56.6 | Low | 123 Ų | 123 | 111.1 Ų | 111.1 | 64% | 0.644 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.3 | -23.6 | -179.6 | -66.2 | -179.7 | 0 | 0 | 0 | 113.5 | I589 I595 A596 | I589-L593 HydrophobicContact CG2-CD1 3.58Å; I589-L593 HydrophobicContact CG2-CG 4.2Å; I589-L593 VanDerWaalsContact O-CB 3.23Å; I589-L593 WeakPolarHBondContact O-CB 3.34Å; I589-L593 VanDerWaalsContact O-CG 3.24Å; I589-L593 WeakPolarHBondContact O-CG 3.26Å; I589-L593 PolarHBondContact O-N 3.39Å; L593-I595 VanDerWaalsContact C-N 3.34Å; L593-A596 PolarHBondContact O-N 3.28Å |
| 594 | N | 59.5 | Low | 56.5 | Low | 141 Ų | 141 | 114.7 Ų | 114.7 | 75% | 0.754 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -84.3 | -8.1 | 177.2 | -167 | 59.9 | 0 | 0 | 0 | 113.4 | R590 H591 E592 | R590-N594 WeakPolarHBondContact O-CB 3.41Å; R590-N594 PolarHBondContact O-N 3.33Å; H591-N594 PolarHBondContact O-N 3.41Å; E592-N594 VanDerWaalsContact C-N 3.32Å; E592-N594 PolarHBondContact O-N 3.24Å |
| 595 | I | 57.9 | Low | 56.1 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -83.9 | -28.8 | 167.2 | -65.3 | 167.9 | 0 | 0 | 0 | 110.5 | H591 E592 L593 G597 | H591-I595 WeakPolarHBondContact O-CG1 3.44Å; H591-I595 PolarHBondContact O-N 3.38Å; E592-I595 PolarHBondContact O-N 3.24Å; L593-I595 VanDerWaalsContact C-N 3.34Å; I595-G597 PolarHBondContact O-N 3.25Å |
| 596 | A | 52.9 | Low | 55 | Low | 62 Ų | 62 | 124.2 Ų | 124.2 | 51% | 0.512 | 67% | 0.666 | S | S | . | * | trans | -78.6 | 45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L593 N598 | L593-A596 PolarHBondContact O-N 3.28Å; A596-N598 PolarHBondContact O-N 3.35Å | ||
| 597 | G | 42.9 | Very low | 54.1 | Low | 65 Ų | 65 | 122.4 Ų | 122.4 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | trans | -62.5 | 132.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I595 | I595-G597 PolarHBondContact O-N 3.25Š| ||
| 598 | N | 47.5 | Very low | 53 | Low | 160 Ų | 160 | 124.7 Ų | 124.7 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 73.6 | 55.8 | 172.8 | -155.3 | 99.3 | 0 | 0 | 0 | 116.9 | A596 | A596-N598 PolarHBondContact O-N 3.35Š|
| 599 | L | 51.8 | Low | 51.9 | Low | 136 Ų | 136 | 132.7 Ų | 132.7 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | trans | -128 | 109.6 | 153.3 | -75.5 | 176.7 | 0 | 0 | 0 | 110.5 | F601 | L599-F601 HydrophobicContact CB-CE2 4.2Š| ||
| 600 | D | 51.5 | Low | 51.4 | Low | 132 Ų | 132 | 135.4 Ų | 135.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -79.3 | 132.2 | 170.1 | 176.5 | 32.9 | 0 | 0 | 0 | 110.3 | S602 | D600-S602 PolarHBondContact OD1-N 3.01Å; D600-S602 PolarHBondContact OD1-OG 3.14Å; D600-S602 PolarHBondContact OD2-OG 3.43Å | ||
| 601 | F | 51.1 | Low | 50.6 | Low | 176 Ų | 176 | 134.9 Ų | 134.9 | 77% | 0.772 | 75% | 0.75 | S | S | * | * | trans | -118.4 | 63.7 | 174.2 | -84.5 | -82.7 | 0 | 0 | 0 | 110.2 | L599 A603 | L599-F601 HydrophobicContact CB-CE2 4.2Å; F601-A603 PolarHBondContact O-N 3.13Å | ||
| 602 | S | 45.9 | Very low | 49.9 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -61.9 | 91.7 | 166.6 | -73.8 | 0 | 0 | 0 | 0 | 110.6 | D600 D604 | D600-S602 PolarHBondContact OD1-N 3.01Å; D600-S602 PolarHBondContact OD1-OG 3.14Å; D600-S602 PolarHBondContact OD2-OG 3.43Å; S602-D604 PolarHBondContact O-N 3.36Å; S602-D604 VanDerWaalsContact O-N 3.14Å | ||
| 603 | A | 47.2 | Very low | 49.3 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -89.8 | 50.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F601 | F601-A603 PolarHBondContact O-N 3.13Š| ||
| 604 | D | 50 | Low | 48.7 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | -130.7 | 50.3 | -172.4 | -85.2 | -54.2 | 0 | 0 | 0 | 114.3 | S602 | S602-D604 PolarHBondContact O-N 3.36Å; S602-D604 VanDerWaalsContact O-N 3.14Å | ||
| 605 | N | 47.2 | Very low | 47.9 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -156.2 | 77.1 | 163.9 | -164.3 | 15 | 0 | 0 | 0 | 115.7 | ||||
| 606 | F | 45.6 | Very low | 47.2 | Very low | 227 Ų | 227 | 136.9 Ų | 136.9 | 100% | 0.996 | 79% | 0.786 | S | S | * | * | trans | -137.7 | 83.5 | 159.9 | -87.8 | -74.4 | 0 | 0 | 0 | 110.4 | ||||
| 607 | G | 41.7 | Very low | 46.8 | Very low | 58 Ų | 58 | 142.7 Ų | 142.7 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | trans | -168.2 | 46.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 608 | N | 40 | Very low | 47.1 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | 178.4 | 86.7 | 155.5 | -92.9 | -31.7 | 0 | 0 | 0 | 111.8 | ||||
| 609 | I | 45.8 | Very low | 47.1 | Very low | 246 Ų | 246 | 148.2 Ų | 148.2 | 100% | 1.262 | 82% | 0.816 | S | S | * | * | trans | -143.9 | 0 | 142.8 | -55.3 | -174.8 | 0 | 0 | 0 | 106 |
Retrieved 609 of 609 residues in 62.8 ms
(Link to these results)