| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.6 | Very low | 46.4 | Very low | 241 Ų | 241 | 151.3 Ų | 151.3 | 100% | 1.187 | 84% | 0.842 | S | S | * | * | 0 | 139.5 | 0 | -66 | 174.9 | 72.8 | 0 | 0 | 108.2 | |||||
| 2 | S | 42.9 | Very low | 47.3 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -76.9 | 146.2 | -174.9 | -45.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3 | K | 49.5 | Very low | 48.2 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -115.5 | 113.3 | 159.7 | -75.6 | -175.3 | 174.2 | -177.6 | 0 | 107.5 | ||||
| 4 | G | 42.1 | Very low | 48.6 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 146.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | I | 46.6 | Very low | 49.7 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -90.6 | 122.5 | 168.8 | -64.3 | 166.4 | 0 | 0 | 0 | 107.1 | Q7 | I5-Q7 PolarHBondContact O-N 2.74Å; I5-Q7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | L | 45.8 | Very low | 49.5 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -74 | 102.4 | 174.1 | -94.1 | 160.2 | 0 | 0 | 0 | 109.5 | V8 | L6-V8 PolarHBondContact O-N 2.72Š| ||
| 7 | Q | 45.5 | Very low | 49.9 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -78.1 | 101.4 | 177.3 | -176.1 | 173.8 | 8.9 | 0 | 0 | 110 | I5 | I5-Q7 PolarHBondContact O-N 2.74Å; I5-Q7 VanDerWaalsContact O-N 3.15Å | ||
| 8 | V | 47.4 | Very low | 50 | Low | 132 Ų | 132 | 129.7 Ų | 129.7 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 121.4 | 175.6 | -158.5 | 0 | 0 | 0 | 0 | 109 | L6 | L6-V8 PolarHBondContact O-N 2.72Š|
| 9 | H | 45.3 | Very low | 50.1 | Low | 153 Ų | 153 | 135.7 Ų | 135.7 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 141.7 | 174.9 | -84 | -97.9 | 0 | 0 | 0 | 111 | ||
| 10 | P | 52.3 | Low | 50.1 | Low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69 | 149 | 170.8 | 30.3 | -34.6 | 0 | 0 | 0 | 110.8 | ||
| 11 | P | 53 | Low | 50.1 | Low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 140 | 178.5 | 28.9 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 12 | I | 56.6 | Low | 49.9 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 65% | 0.646 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 137.4 | 173.1 | -57.4 | 173.5 | 0 | 0 | 0 | 108 | ||
| 13 | C | 58.5 | Low | 50.3 | Low | 52 Ų | 52 | 125.6 Ų | 125.6 | 35% | 0.351 | 72% | 0.719 | S | S | . | * | trans | -105.4 | 105.8 | 176.9 | 139.5 | 0 | 0 | 0 | 0 | 109.4 | C15 | C13-C15 WeakPolarHBondContact CB-SG 3.47Å; C13-C15 PolarHBondContact O-N 2.68Å; C13-C15 WeakPolarHBondContact SG-CB 3.37Å; C13-C15 CovalentContact SG-SG 2.05Å; C13-C15 PolarHBondContact SG-SG 2.8Å | ||
| 14 | D | 54.9 | Low | 50.1 | Low | 153 Ų | 153 | 121.2 Ų | 121.2 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -79.9 | 47.5 | 174.8 | -66 | -51 | 0 | 0 | 0 | 111.3 | ||||
| 15 | C | 64.6 | Low | 49.7 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 44% | 0.439 | 71% | 0.712 | S | S | . | * | trans | -95.3 | 122.6 | -173.5 | -36.9 | 0 | 0 | 0 | 0 | 109.7 | C13 G17 C18 | C13-C15 WeakPolarHBondContact CB-SG 3.47Å; C13-C15 PolarHBondContact O-N 2.68Å; C13-C15 WeakPolarHBondContact SG-CB 3.37Å; C13-C15 CovalentContact SG-SG 2.05Å; C13-C15 PolarHBondContact SG-SG 2.8Å; C15-G17 PolarHBondContact O-N 3.05Å; C15-C18 HydrophobicContact CB-CB 4.2Å; C15-C18 WeakPolarHBondContact O-CB 3.47Å; C15-C18 PolarHBondContact O-N 3.18Å | ||
| 16 | P | 46.8 | Very low | 49.8 | Very low | 144 Ų | 144 | 129 Ų | 129 | 94% | 0.935 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 113 | -175.9 | 24.7 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 17 | G | 56 | Low | 49.6 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 81% | 0.814 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.6 | -13 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C15 R19 | C15-G17 PolarHBondContact O-N 3.05Å; G17-R19 PolarHBondContact O-N 2.76Å |
| 18 | C | 52.3 | Low | 49.4 | Very low | 52 Ų | 52 | 128.2 Ų | 128.2 | 35% | 0.351 | 72% | 0.716 | S | S | . | * | trans | -72.1 | 113.4 | 177.7 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | C15 | C15-C18 HydrophobicContact CB-CB 4.2Å; C15-C18 WeakPolarHBondContact O-CB 3.47Å; C15-C18 PolarHBondContact O-N 3.18Å | ||
| 19 | R | 51.8 | Low | 48.9 | Very low | 244 Ų | 244 | 129.3 Ų | 129.3 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 6 | -177.5 | -98.4 | -170.4 | 175.9 | -167.2 | 0.1 | 115.5 | G17 | G17-R19 PolarHBondContact O-N 2.76Š|
| 20 | I | 50.5 | Low | 48.8 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7.1 | -174 | -52.5 | -176.3 | 0 | 0 | 0 | 112.3 | ||
| 21 | S | 48.9 | Very low | 48.1 | Very low | 59 Ų | 59 | 128.2 Ų | 128.2 | 41% | 0.413 | 73% | 0.726 | S | S | . | * | trans | -138.8 | 67.6 | -178.8 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 22 | S | 36.3 | Very low | 47.3 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | trans | -100.4 | 112 | 166.3 | -170.2 | 0 | 0 | 0 | 0 | 111 | V24 | S22-V24 PolarHBondContact O-N 3.35Š| ||
| 23 | P | 52.7 | Low | 46.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | trans | -80.9 | 30.9 | -172.3 | 32.8 | -36.4 | 0 | 0 | 0 | 114.7 | N25 | P23-N25 VanDerWaalsContact C-N 3.29Å; P23-N25 PolarHBondContact O-N 3.43Å | ||
| 24 | V | 43.9 | Very low | 45.6 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 67.1 | -178.4 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | S22 | S22-V24 PolarHBondContact O-N 3.35Š|
| 25 | N | 34.4 | Very low | 44.5 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.5 | 21.6 | 153.3 | -106.9 | -48 | 0 | 0 | 0 | 114 | P23 G27 | P23-N25 VanDerWaalsContact C-N 3.29Å; P23-N25 PolarHBondContact O-N 3.43Å; N25-G27 PolarHBondContact O-N 3.47Å |
| 26 | R | 47.4 | Very low | 42.9 | Very low | 244 Ų | 244 | 141.1 Ų | 141.1 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -77.7 | 26.8 | 177.3 | -150 | 173.8 | -169.1 | 145.9 | 3.1 | 113.4 | ||||
| 27 | G | 41.7 | Very low | 42.3 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -123.8 | 16.6 | -157 | 0 | 0 | 0 | 0 | 0 | 116.6 | N25 | N25-G27 PolarHBondContact O-N 3.47Š| ||
| 28 | R | 42.4 | Very low | 41.2 | Very low | 244 Ų | 244 | 144.5 Ų | 144.5 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -153.7 | 156.2 | 166.3 | -114.5 | 173.1 | -168.4 | -92.4 | -1.6 | 112.3 | ||
| 29 | L | 36.6 | Very low | 40.3 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 63.1 | 40.2 | 174.5 | -146.3 | 70.1 | 0 | 0 | 0 | 117.3 | D31 | L29-D31 PolarHBondContact O-N 3.08Š| ||
| 30 | A | 42.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 139 Ų | 139 | 95% | 0.95 | 78% | 0.783 | S | S | * | * | trans | -74.2 | 53.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 31 | D | 38.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 65% | 0.647 | 79% | 0.789 | S | S | * | * | trans | -150.1 | 81 | 178.7 | -164 | -1.7 | 0 | 0 | 0 | 113.1 | L29 | L29-D31 PolarHBondContact O-N 3.08Š| ||
| 32 | K | 35.1 | Very low | 37.7 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | -167.7 | 120.2 | 117.9 | -107.4 | 178.8 | -180 | -179.4 | 0 | 111.1 | |||||
| 33 | R | 40.7 | Very low | 37.5 | Very low | 233 Ų | 233 | 151.6 Ų | 151.6 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -78.3 | 169.3 | 155.3 | -71 | 177.2 | 173.3 | 154.3 | -2.8 | 109 | ||||
| 34 | T | 38.9 | Very low | 36.4 | Very low | 133 Ų | 133 | 155.6 Ų | 155.6 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | 72.7 | 80.2 | 160.5 | -42 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 35 | V | 32.6 | Very low | 35.9 | Very low | 148 Ų | 148 | 158.4 Ų | 158.4 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -123.5 | 126.7 | 131.2 | -179.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 36 | A | 31.5 | Very low | 35.7 | Very low | 81 Ų | 81 | 157.5 Ų | 157.5 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | trans | -84.1 | 154.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 37 | L | 34.4 | Very low | 34.9 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -60.7 | 130.4 | 165.5 | -66 | 170.3 | 0 | 0 | 0 | 109.7 | A39 | L37-A39 PolarHBondContact O-N 3.2Š| ||
| 38 | P | 32.6 | Very low | 34.5 | Very low | 128 Ų | 128 | 159.3 Ų | 159.3 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -71.2 | 98.9 | 164.1 | 29.3 | -31.4 | 0 | 0 | 0 | 108.8 | ||||
| 39 | A | 32.2 | Very low | 34.9 | Very low | 88 Ų | 88 | 153.1 Ų | 153.1 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -60.1 | 148.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | L37 R41 | L37-A39 PolarHBondContact O-N 3.2Å; A39-R41 PolarHBondContact O-N 3.18Å | ||
| 40 | A | 31.7 | Very low | 34.6 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -56.4 | 131.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N42 | A40-N42 PolarHBondContact O-N 2.96Š| ||
| 41 | R | 35.7 | Very low | 34 | Very low | 251 Ų | 251 | 153.1 Ų | 153.1 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | trans | -84.9 | 111.2 | 170.3 | -78.1 | -172.5 | 165.8 | -170.6 | -4.7 | 109.7 | A39 | A39-R41 PolarHBondContact O-N 3.18Š| ||
| 42 | N | 30.9 | Very low | 33.6 | Very low | 145 Ų | 145 | 152.1 Ų | 152.1 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -55 | 144.5 | -172.5 | -63.6 | -84.9 | 0 | 0 | 0 | 114.9 | A40 K44 | A40-N42 PolarHBondContact O-N 2.96Å; N42-K44 PolarHBondContact O-N 3.12Å | ||
| 43 | L | 32.2 | Very low | 33.5 | Very low | 185 Ų | 185 | 147 Ų | 147 | 97% | 0.969 | 79% | 0.791 | S | S | * | * | trans | -54.8 | 128.5 | 146.5 | -96.6 | 147.8 | 0 | 0 | 0 | 108.9 | ||||
| 44 | K | 29.5 | Very low | 33.4 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -134.6 | 98.8 | -178.2 | -179.7 | -180 | 175.3 | 177 | 0 | 111.9 | N42 | N42-K44 PolarHBondContact O-N 3.12Š| ||
| 45 | K | 32.6 | Very low | 33.5 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 174.8 | 143.2 | 152.8 | -104.1 | -161.7 | 171.3 | -143.7 | 0 | 108.2 | ||||
| 46 | E | 30.1 | Very low | 33.7 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | cis | -125.4 | -161.4 | 0.3 | -81.6 | -72.1 | 33.5 | 0 | 0 | 111.9 | ||||
| 47 | R | 31.3 | Very low | 34 | Very low | 226 Ų | 226 | 141.3 Ų | 141.3 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -88 | 138.4 | -167.8 | -70.3 | 166.7 | 159.1 | -176.5 | -7.4 | 116 | ||||
| 48 | T | 31.9 | Very low | 34.3 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -10.4 | 166.3 | 130.9 | 56 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 49 | P | 51.1 | Low | 34.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -127.2 | -163.4 | -27.4 | 27.3 | -2 | 0 | 0 | 0 | 110.1 | ||||
| 50 | S | 29.9 | Very low | 34.8 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 53% | 0.531 | 77% | 0.769 | S | S | . | * | cis | -177.5 | 165.2 | 39.7 | -38.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 51 | F | 30.4 | Very low | 35.2 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 60.9 | 154 | 156.9 | -57.3 | -53 | 0 | 0 | 0 | 118.4 | ||||
| 52 | S | 31.3 | Very low | 35.1 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | 159.3 | 168.7 | -33 | 55.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 53 | A | 33.3 | Very low | 36.1 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 75.1 | 135.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 54 | S | 37.6 | Very low | 36.2 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | 100.4 | 156.5 | 28.2 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 55 | D | 41 | Very low | 36.3 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | 75.6 | 144.6 | 171.6 | -38.6 | -23.7 | 0 | 0 | 0 | 114 | ||||
| 56 | G | 36.8 | Very low | 36.3 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | cis | 150.7 | 144 | -4.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 57 | D | 37.8 | Very low | 36.3 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | 61.2 | 160.5 | 169.2 | -83.2 | -35.6 | 0 | 0 | 0 | 118.2 | ||||
| 58 | S | 40.8 | Very low | 36.4 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | cis | -159.6 | 172.8 | -32.5 | -124.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 59 | D | 38.1 | Very low | 37.1 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | 59.4 | 159.5 | 157.9 | -70.5 | -35.9 | 0 | 0 | 0 | 120.6 | ||||
| 60 | G | 37.1 | Very low | 35.9 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 134.8 | 48.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 61 | S | 39.9 | Very low | 36.2 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 32.1 | 114.6 | 150.4 | -54.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 62 | G | 33.7 | Very low | 36.7 | Very low | 72 Ų | 72 | 123.4 Ų | 123.4 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -73.5 | -169.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 63 | P | 51.7 | Low | 36.5 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -132.9 | -170.1 | 8 | 36.2 | -15.3 | 0 | 0 | 0 | 114.2 | ||||
| 64 | T | 33.6 | Very low | 36.6 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 71.5 | 148.8 | 169.6 | 73.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 65 | C | 32.6 | Very low | 36.4 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -159.2 | 162.8 | -26.1 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 66 | G | 32.8 | Very low | 35.8 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 75.5 | 97.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | R68 | G66-R68 PolarHBondContact O-N 2.72Š| ||
| 67 | R | 30.3 | Very low | 36.1 | Very low | 254 Ų | 254 | 129.7 Ų | 129.7 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | trans | -72.2 | 108.2 | 178.7 | -176.2 | 174.1 | -176.5 | -106.9 | 2.4 | 113.3 | ||||
| 68 | R | 32.3 | Very low | 35.8 | Very low | 220 Ų | 220 | 130.3 Ų | 130.3 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -77.5 | -177 | 158.1 | -87.9 | -170.7 | 170.2 | -140.8 | 3.7 | 111 | G66 | G66-R68 PolarHBondContact O-N 2.72Š| ||
| 69 | P | 46.8 | Very low | 35.4 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | -139.6 | -162 | -60.1 | 44 | -26.6 | 0 | 0 | 0 | 111.7 | |||||
| 70 | G | 26.3 | Very low | 35.2 | Very low | 62 Ų | 62 | 136.2 Ų | 136.2 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | 81.4 | 142 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 71 | L | 36.5 | Very low | 35.1 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | cis | 61.4 | 133.4 | 7.7 | -43.7 | 180 | 0 | 0 | 0 | 115.1 | ||||
| 72 | K | 39.5 | Very low | 34.6 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | cis | -169.3 | 137.5 | -7.7 | 172.2 | -168.8 | -179.9 | -145.9 | 0 | 109.8 | E74 | K72-E74 WeakPolarHBondContact CE-OE1 3.44Å; K72-E74 WeakPolarHBondContact CE-OE2 3.32Å; K72-E74 HydrophobicContact CG-CG 4.32Å; K72-E74 IonicContact NZ-OE1 2.91Å; K72-E74 IonicContact NZ-OE2 3.54Å; K72-E74 PolarHBondContact NZ-OE2 3.13Å | ||
| 73 | Q | 28.8 | Very low | 34.7 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -158.6 | 128.3 | 162.6 | -138.6 | 100.7 | 67 | 0 | 0 | 105.4 | ||||
| 74 | E | 35.7 | Very low | 33.9 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 59% | 0.593 | 78% | 0.777 | S | S | * | * | cis | 57 | 137.4 | 43.2 | -29.2 | -71.3 | 86.9 | 0 | 0 | 111.6 | K72 | K72-E74 WeakPolarHBondContact CE-OE1 3.44Å; K72-E74 WeakPolarHBondContact CE-OE2 3.32Å; K72-E74 HydrophobicContact CG-CG 4.32Å; K72-E74 IonicContact NZ-OE1 2.91Å; K72-E74 IonicContact NZ-OE2 3.54Å; K72-E74 PolarHBondContact NZ-OE2 3.13Å | ||
| 75 | D | 32.4 | Very low | 33.8 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | cis | -153 | 170.1 | 5.4 | -163 | -13.7 | 0 | 0 | 0 | 109.3 | ||||
| 76 | G | 28 | Very low | 33.8 | Very low | 65 Ų | 65 | 156.4 Ų | 156.4 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 176.5 | 104.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 77 | P | 43.1 | Very low | 33.8 | Very low | 106 Ų | 106 | 160.1 Ų | 160.1 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | trans | -106.6 | 140.3 | -165.4 | 36.7 | -33.6 | 0 | 0 | 0 | 117 | ||||
| 78 | H | 32.8 | Very low | 34 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 62.4 | 152.3 | 148 | -68.8 | 64.6 | 0 | 0 | 0 | 117.6 | ||||
| 79 | I | 30.9 | Very low | 34.2 | Very low | 161 Ų | 161 | 150 Ų | 150 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | cis | -141.3 | 161.1 | 42.4 | -76.6 | 174.1 | 0 | 0 | 0 | 112.8 | ||||
| 80 | R | 34.2 | Very low | 33.5 | Very low | 213 Ų | 213 | 155.8 Ų | 155.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -67.6 | 158.8 | -177.6 | -49.5 | 137.4 | 81.9 | -175.8 | 9.1 | 113.5 | ||||
| 81 | I | 36.2 | Very low | 33.7 | Very low | 158 Ų | 158 | 159.3 Ų | 159.3 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | -167.7 | 117.3 | 117.9 | -97.4 | 154.2 | 0 | 0 | 0 | 113.6 | |||||
| 82 | M | 29.1 | Very low | 33.7 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | trans | 28.3 | 124.8 | 147.7 | -56.1 | 177.6 | 51.4 | 0 | 0 | 122.7 | R84 | M82-R84 HydrophobicContact CE-CB 4.36Š| ||
| 83 | K | 35.4 | Very low | 33.2 | Very low | 220 Ų | 220 | 156.7 Ų | 156.7 | 96% | 0.957 | 77% | 0.768 | S | S | * | * | trans | -128.2 | 129 | 133.8 | -156.1 | 166 | -173.1 | 174.1 | 0 | 108.2 | ||||
| 84 | R | 34.8 | Very low | 33.3 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -136.1 | 108 | -163.3 | -177.8 | -150.8 | -77.8 | 177.1 | -2.6 | 112.7 | M82 | M82-R84 HydrophobicContact CE-CB 4.36Š| ||
| 85 | R | 32.2 | Very low | 33.2 | Very low | 217 Ų | 217 | 153.1 Ų | 153.1 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | trans | 58.7 | 160.2 | 169.1 | -102.6 | 172.8 | -92.4 | -152 | -4.7 | 114.2 | ||||
| 86 | V | 31.1 | Very low | 33 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | cis | -116.5 | 155.7 | 36.5 | 169.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 87 | H | 32.6 | Very low | 33.2 | Very low | 152 Ų | 152 | 162.1 Ų | 162.1 | 70% | 0.704 | 77% | 0.772 | S | S | * | * | trans | -90.4 | 150.1 | 167.3 | -75.8 | -17.3 | 0 | 0 | 0 | 111 | ||||
| 88 | T | 36.1 | Very low | 32.7 | Very low | 144 Ų | 144 | 165.2 Ų | 165.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | -142 | 145.6 | 123.6 | 26.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 89 | H | 36.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 161.5 Ų | 161.5 | 55% | 0.551 | 78% | 0.776 | S | S | * | * | trans | -110.7 | 145.5 | -172.6 | 131.9 | -55 | 0 | 0 | 0 | 110.4 | D91 | H89-D91 IonicContact CD2-OD2 2.68Å; H89-D91 PolarHBondContact CD2-OD2 3.19Å; H89-D91 IonicContact NE2-OD2 3.77Å | ||
| 90 | W | 30.9 | Very low | 32.4 | Very low | 236 Ų | 236 | 159 Ų | 159 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -148.1 | 72.6 | 158 | -74.1 | 119 | 0 | 0 | 0 | 109.6 | V92 | W90-V92 PolarHBondContact O-N 3.27Š| ||
| 91 | D | 32 | Very low | 32.1 | Very low | 135 Ų | 135 | 155 Ų | 155 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -74.1 | 113.2 | 170.4 | -74.8 | -55 | 0 | 0 | 0 | 110 | H89 | H89-D91 IonicContact CD2-OD2 2.68Å; H89-D91 PolarHBondContact CD2-OD2 3.19Å; H89-D91 IonicContact NE2-OD2 3.77Å | ||
| 92 | V | 35.4 | Very low | 31.8 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -107.2 | 97.3 | 163.5 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | W90 I94 | W90-V92 PolarHBondContact O-N 3.27Å; V92-I94 HydrophobicContact CG1-CG1 4.19Å; V92-I94 PolarHBondContact O-N 3.39Å | ||
| 93 | N | 28.7 | Very low | 32.4 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 87 | -175.9 | 179.6 | 23.8 | 0 | 0 | 0 | 111.9 | S95 | N93-S95 PolarHBondContact O-N 2.87Š| ||
| 94 | I | 31.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -88.5 | 84.5 | 168.5 | -54.6 | -179.8 | 0 | 0 | 0 | 108.5 | V92 F96 | V92-I94 HydrophobicContact CG1-CG1 4.19Å; V92-I94 PolarHBondContact O-N 3.39Å; I94-F96 VanDerWaalsContact C-N 3.3Å; I94-F96 PolarHBondContact O-N 3.25Å | ||
| 95 | S | 33 | Very low | 32.4 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -73.9 | 82.9 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | N93 R97 | N93-S95 PolarHBondContact O-N 2.87Å; S95-R97 PolarHBondContact O-N 3.16Å | ||
| 96 | F | 29 | Very low | 32.4 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -65.3 | 114.5 | 172.3 | -151.3 | -95.3 | 0 | 0 | 0 | 108.8 | I94 E98 | I94-F96 VanDerWaalsContact C-N 3.3Å; I94-F96 PolarHBondContact O-N 3.25Å; F96-E98 HydrophobicContact CD1-CG 4.01Å; F96-E98 HydrophobicContact CE1-CG 3.87Å | ||
| 97 | R | 31.7 | Very low | 32.7 | Very low | 238 Ų | 238 | 143 Ų | 143 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -113.4 | 100.5 | 171.7 | -114.4 | -173.5 | 178.9 | -123.4 | 0.1 | 108.3 | S95 A99 | S95-R97 PolarHBondContact O-N 3.16Å; R97-A99 PolarHBondContact O-N 2.91Å | ||
| 98 | E | 34 | Very low | 33.1 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -60.8 | 129.1 | 163.4 | -67.9 | 175.2 | 110.6 | 0 | 0 | 109 | F96 | F96-E98 HydrophobicContact CD1-CG 4.01Å; F96-E98 HydrophobicContact CE1-CG 3.87Å | ||
| 99 | A | 27.8 | Very low | 33.4 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -131.3 | 111.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | R97 | R97-A99 PolarHBondContact O-N 2.91Š| ||
| 100 | S | 29.4 | Very low | 33.9 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -68.7 | 179.2 | 174 | -49 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | C | 26.8 | Very low | 34.5 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | 72.5 | 151.9 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 102 | S | 31.3 | Very low | 35 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | -160.3 | 165.6 | -21.4 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | D104 | S102-D104 PolarHBondContact O-N 2.87Š| ||
| 103 | Q | 40.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -56.6 | 118.8 | 157.5 | 176 | 175.4 | -6.2 | 0 | 0 | 109.7 | ||||
| 104 | D | 32.6 | Very low | 35.9 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 177.7 | 145.7 | 131.1 | -95.5 | -26 | 0 | 0 | 0 | 114.6 | S102 | S102-D104 PolarHBondContact O-N 2.87Š| ||
| 105 | G | 38.6 | Very low | 36.3 | Very low | 59 Ų | 59 | 137.6 Ų | 137.6 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 74.3 | 105 | 138.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 106 | N | 31.4 | Very low | 36.8 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 75.2 | 102.1 | 140.3 | -50.1 | -62.6 | 0 | 0 | 0 | 120.4 | ||||
| 107 | L | 36.7 | Very low | 37.2 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 124.1 | 147 | -178.9 | 70.1 | 0 | 0 | 0 | 107.7 | ||||
| 108 | P | 42.8 | Very low | 37.7 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | -158.9 | 97.2 | 82.7 | 38.4 | -15 | 0 | 0 | 0 | 116.4 | |||||
| 109 | T | 42.3 | Very low | 38.2 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -131.6 | -3.5 | 173.9 | -29.5 | 0 | 0 | 0 | 0 | 114.8 | I111 | T109-I111 VanDerWaalsContact C-N 3.34Å; T109-I111 PolarHBondContact O-N 3.4Å | ||
| 110 | L | 45.2 | Very low | 38.4 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -86.4 | 9.1 | -173.2 | -67.4 | 176.5 | 0 | 0 | 0 | 115.4 | ||
| 111 | I | 44.8 | Very low | 38.8 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -115.8 | 38.8 | 179.2 | -37.3 | -177 | 0 | 0 | 0 | 112.2 | T109 | T109-I111 VanDerWaalsContact C-N 3.34Å; T109-I111 PolarHBondContact O-N 3.4Å |
| 112 | S | 41.6 | Very low | 39.1 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -134.8 | -6.1 | 171.8 | -71.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 113 | S | 40.5 | Very low | 39.5 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -90.1 | -20.6 | -178.1 | -152.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 114 | V | 42 | Very low | 39.2 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -18.2 | -172.3 | -179.1 | 0 | 0 | 0 | 0 | 113 | ||
| 115 | H | 41.2 | Very low | 39.2 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 9 | -169.2 | -129.1 | -75.5 | 0 | 0 | 0 | 116 | ||
| 116 | R | 42.7 | Very low | 38.9 | Very low | 234 Ų | 234 | 155.6 Ų | 155.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -113 | -3 | -175.8 | -145.6 | 172.9 | -171.3 | 162.8 | 3.6 | 115.7 | R118 | R116-R118 PolarHBondContact O-N 3.34Š|
| 117 | S | 36.7 | Very low | 38.9 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -97.6 | 58.6 | 178 | -156.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 118 | R | 43.7 | Very low | 38.6 | Very low | 236 Ų | 236 | 155.9 Ų | 155.9 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -141.7 | 42.9 | 171.9 | -76.6 | -162.1 | 177 | -161.8 | 0.7 | 112.3 | R116 | R116-R118 PolarHBondContact O-N 3.34Š| ||
| 119 | H | 43.1 | Very low | 37.8 | Very low | 169 Ų | 169 | 156.5 Ų | 156.5 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -155.6 | 82.6 | 169.6 | -120.3 | -80.4 | 0 | 0 | 0 | 111.8 | ||||
| 120 | L | 33.5 | Very low | 37 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -132.3 | 112.2 | 159.1 | -75.2 | 178.3 | 0 | 0 | 0 | 107.9 | ||||
| 121 | V | 37.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 157.8 Ų | 157.8 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 130.1 | 171.2 | 174.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 122 | M | 33.5 | Very low | 35.2 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 131 | 172.4 | -69.8 | -60.3 | -65.3 | 0 | 0 | 109.8 | E124 | M122-E124 PolarHBondContact O-N 3.29Š|
| 123 | P | 38.3 | Very low | 34.8 | Very low | 118 Ų | 118 | 163.2 Ų | 163.2 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.2 | 171.4 | -19 | 32.3 | 0 | 0 | 0 | 110.9 | ||
| 124 | E | 35.2 | Very low | 34.1 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69 | 141.8 | 167.6 | -59.5 | 173.3 | 123.8 | 0 | 0 | 109.6 | M122 | M122-E124 PolarHBondContact O-N 3.29Š|
| 125 | H | 32.6 | Very low | 33.5 | Very low | 189 Ų | 189 | 160.7 Ų | 160.7 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -132.5 | 126.6 | 163.2 | -148.6 | -71 | 0 | 0 | 0 | 110.9 | ||||
| 126 | Q | 32.4 | Very low | 33 | Very low | 179 Ų | 179 | 160 Ų | 160 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 145 | -176.4 | -62.5 | 171.6 | -4.6 | 0 | 0 | 111.5 | ||||
| 127 | S | 31.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -138.9 | 135.4 | 142.8 | 60.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 128 | R | 29.3 | Very low | 32.3 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | trans | -132.9 | 121.7 | -167.8 | 171.2 | -174.7 | 169.6 | -130.9 | -1.7 | 111.1 | E130 | R128-E130 IonicContact CZ-OE1 2.7Å; R128-E130 IonicContact CZ-OE2 2.71Å; R128-E130 IonicContact NE-OE1 3.8Å; R128-E130 PolarHBondContact NE-OE1 3.32Å; R128-E130 IonicContact NE-OE2 3.46Å; R128-E130 IonicContact NH2-OE1 3.4Å; R128-E130 PolarHBondContact NH2-OE1 3.07Å; R128-E130 IonicContact NH2-OE2 3.82Å; R128-E130 PolarHBondContact NH2-OE2 3.31Å | ||
| 129 | C | 25.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -161.9 | 115.7 | 152.3 | -85.2 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 130 | E | 26.1 | Very low | 30.9 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | 51.5 | 126.6 | 57.1 | -65.9 | 174.9 | -167.2 | 0 | 0 | 111.6 | R128 | R128-E130 IonicContact CZ-OE1 2.7Å; R128-E130 IonicContact CZ-OE2 2.71Å; R128-E130 IonicContact NE-OE1 3.8Å; R128-E130 PolarHBondContact NE-OE1 3.32Å; R128-E130 IonicContact NE-OE2 3.46Å; R128-E130 IonicContact NH2-OE1 3.4Å; R128-E130 PolarHBondContact NH2-OE1 3.07Å; R128-E130 IonicContact NH2-OE2 3.82Å; R128-E130 PolarHBondContact NH2-OE2 3.31Å | |||
| 131 | F | 25.7 | Very low | 30.6 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | cis | -152.5 | 144.5 | 41.7 | -171.2 | -120.3 | 0 | 0 | 0 | 114.2 | ||||
| 132 | Q | 27.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | trans | 54.1 | 108.9 | 153.8 | -123.8 | 75.7 | -30.8 | 0 | 0 | 121.9 | ||||
| 133 | R | 31.6 | Very low | 30.8 | Very low | 244 Ų | 244 | 151.1 Ų | 151.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -91.5 | 109.1 | 143.7 | 175.9 | 179.3 | -79 | 175.2 | -4.7 | 108.3 | ||||
| 134 | G | 26.4 | Very low | 30.5 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -70 | 133.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 135 | S | 29 | Very low | 30.4 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -103.9 | 136.9 | 171.3 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 136 | L | 30.6 | Very low | 30.6 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -145.6 | 132.3 | 162.6 | -166.4 | 63.8 | 0 | 0 | 0 | 109.6 | ||||
| 137 | E | 35.8 | Very low | 30.9 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -84 | -175.3 | 177.8 | -98.1 | -69.6 | 167.5 | 0 | 0 | 112.1 | ||||
| 138 | I | 30.4 | Very low | 30.9 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 82.4 | 130.7 | 175.5 | -45.2 | 151 | 0 | 0 | 0 | 113.4 | ||||
| 139 | G | 26.7 | Very low | 31.4 | Very low | 62 Ų | 62 | 143.8 Ų | 143.8 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | 161 | 152 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 140 | L | 30.5 | Very low | 31.8 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 97% | 0.969 | 80% | 0.802 | S | S | * | * | trans | 74.7 | 153 | 163.5 | -55.4 | 176.6 | 0 | 0 | 0 | 120.8 | ||||
| 141 | R | 26.7 | Very low | 32.1 | Very low | 239 Ų | 239 | 151.9 Ų | 151.9 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -100 | -174.3 | 178.1 | -124.3 | -174.6 | 167 | 169.6 | -5.1 | 108.8 | ||||
| 142 | P | 47.3 | Very low | 32.3 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | cis | -135.8 | -177.8 | -23.8 | 40.5 | -24 | 0 | 0 | 0 | 114.8 | ||||
| 143 | A | 28.4 | Very low | 32.3 | Very low | 108 Ų | 108 | 152 Ų | 152 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | 72.5 | 150.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 144 | G | 30.1 | Very low | 32.3 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 148.2 | 91.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 145 | D | 34.7 | Very low | 33 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -78.8 | 156.9 | 170.3 | -72.3 | -74.2 | 0 | 0 | 0 | 112.7 | ||||
| 146 | L | 37 | Very low | 32.9 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | 165 | 144 | 120.9 | -83.5 | 167.7 | 0 | 0 | 0 | 112.6 | |||||
| 147 | L | 37.8 | Very low | 32.8 | Very low | 161 Ų | 161 | 151 Ų | 151 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | 13.8 | 130.5 | 167.1 | -74 | 75.3 | 0 | 0 | 0 | 119.9 | ||||
| 148 | G | 31 | Very low | 32.2 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | cis | 112.2 | 112.2 | 6.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 149 | K | 40.5 | Very low | 32.1 | Very low | 217 Ų | 217 | 144.7 Ų | 144.7 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | trans | -142.1 | 147.9 | 170.4 | -65.1 | -174.6 | 178.4 | 175.1 | 0 | 110.1 | ||||
| 150 | R | 34.3 | Very low | 32.2 | Very low | 239 Ų | 239 | 148.6 Ų | 148.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -104.8 | 142 | -169.9 | -69 | 175.5 | -77.5 | -103.8 | -0.1 | 112.8 | ||||
| 151 | L | 33.2 | Very low | 32 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 97% | 0.969 | 80% | 0.801 | S | S | * | * | -158.7 | 158.1 | 122.5 | -134.7 | 80.1 | 0 | 0 | 0 | 110.4 | |||||
| 152 | G | 28.8 | Very low | 31.9 | Very low | 64 Ų | 64 | 144.7 Ų | 144.7 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | 172.7 | 167.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 153 | R | 28.8 | Very low | 31 | Very low | 249 Ų | 249 | 144.2 Ų | 144.2 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -163.4 | 132.6 | 166.2 | -108.8 | 166.5 | -161.6 | -97.4 | 2.8 | 111.4 | ||||
| 154 | S | 30.7 | Very low | 31.1 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | -92.1 | 167.8 | 152.2 | 163.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 155 | P | 40.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | -131 | 170.8 | 128.5 | 36.5 | -27.9 | 0 | 0 | 0 | 114.1 | |||||
| 156 | R | 26.9 | Very low | 31.1 | Very low | 213 Ų | 213 | 158.4 Ų | 158.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -143.3 | 144.7 | -177.6 | -92.6 | -91 | -142.7 | 163.5 | 5.9 | 108.8 | ||||
| 157 | I | 29.2 | Very low | 30.7 | Very low | 143 Ų | 143 | 155.9 Ų | 155.9 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 65.1 | 120.7 | 149.5 | -59.2 | 160.1 | 0 | 0 | 0 | 119.3 | ||||
| 158 | S | 23.5 | Very low | 30.4 | Very low | 100 Ų | 100 | 159.3 Ų | 159.3 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | -167 | 131.2 | 115.5 | -119 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 159 | S | 28.3 | Very low | 30.4 | Very low | 88 Ų | 88 | 160.8 Ų | 160.8 | 62% | 0.615 | 81% | 0.814 | S | S | * | * | 55.8 | 128.8 | 82.5 | 87.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 160 | D | 27.5 | Very low | 29.8 | Very low | 145 Ų | 145 | 159.1 Ų | 159.1 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | -153.4 | 175.6 | 64.4 | -70 | -26.3 | 0 | 0 | 0 | 114 | |||||
| 161 | C | 27.5 | Very low | 29.5 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -131.9 | 147.4 | 176.4 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 162 | F | 24.1 | Very low | 29.8 | Very low | 220 Ų | 220 | 149.6 Ų | 149.6 | 97% | 0.965 | 79% | 0.792 | S | S | * | * | trans | -147 | 154.7 | 160.6 | -104.4 | -75.8 | 0 | 0 | 0 | 112.7 | ||||
| 163 | S | 28.6 | Very low | 29.7 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -100.1 | 163.8 | -167.9 | -87.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 164 | E | 30.1 | Very low | 29.7 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 49.9 | 123.3 | 145.4 | -70.3 | 170 | 76.9 | 0 | 0 | 120.9 | ||||
| 165 | K | 30.9 | Very low | 29.6 | Very low | 217 Ų | 217 | 153.1 Ų | 153.1 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | -153.1 | 155.4 | 109.9 | -120.6 | 166 | -174.4 | 169.5 | 0 | 114.4 | |||||
| 166 | R | 33.8 | Very low | 29.1 | Very low | 246 Ų | 246 | 151.3 Ų | 151.3 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | -110.3 | 127.5 | -177.5 | -166.8 | -171.4 | -154.7 | -153 | 10.7 | 108.7 | ||||
| 167 | A | 28.8 | Very low | 29.3 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -139.3 | 162.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 168 | R | 31.1 | Very low | 29.3 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -147.4 | 160.9 | -169.5 | -161.5 | -176.4 | -166.4 | -178.9 | 3.4 | 108.5 | ||||
| 169 | S | 30.6 | Very low | 29.7 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | 68.7 | 160.9 | 178.7 | -34 | 0 | 0 | 0 | 0 | 114 | ||||
| 170 | E | 27.7 | Very low | 30 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | cis | -146.3 | -179 | -0.9 | -145.1 | 151.5 | 123.3 | 0 | 0 | 111.2 | ||||
| 171 | S | 29.2 | Very low | 30.3 | Very low | 97 Ų | 97 | 156.8 Ų | 156.8 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -129 | 136.4 | 178.7 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 172 | P | 38.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 159.9 Ų | 159.9 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -92.2 | 142.4 | 157.8 | -8 | 27.4 | 0 | 0 | 0 | 111.5 | ||||
| 173 | Q | 27.8 | Very low | 31.2 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -93.9 | 161.8 | 175.4 | -66.6 | -176.8 | -52.9 | 0 | 0 | 112.6 | ||||
| 174 | A | 28.9 | Very low | 31.6 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | 55.6 | 116.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 175 | E | 28.1 | Very low | 32.4 | Very low | 206 Ų | 206 | 151.3 Ų | 151.3 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | -141.7 | 145.2 | 113.5 | -115.4 | 173 | 122.2 | 0 | 0 | 109.5 | |||||
| 176 | A | 31.1 | Very low | 33.3 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -139.5 | 120.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 177 | L | 30.8 | Very low | 34.5 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -144.5 | 122.3 | 166.3 | -82.2 | -172.7 | 0 | 0 | 0 | 113 | ||||
| 178 | L | 29.2 | Very low | 36.2 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | 66.5 | 103.7 | 147.2 | -51.3 | -179.6 | 0 | 0 | 0 | 120.1 | ||||
| 179 | L | 30.5 | Very low | 37.6 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -74.6 | 149.4 | 140.7 | -71.6 | 171.8 | 0 | 0 | 0 | 110.1 | ||||
| 180 | P | 35.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | -96.4 | 160 | 129.3 | -22.1 | 36.1 | 0 | 0 | 0 | 112.9 | |||||
| 181 | R | 34.3 | Very low | 41 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -126.6 | 124.8 | -173.4 | 163.4 | -176.3 | 170.7 | 177.7 | -2.9 | 109 | ||||
| 182 | E | 31.2 | Very low | 43 | Very low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -117 | 150.6 | 167.8 | -86.5 | -58 | 158.4 | 0 | 0 | 112.2 | ||||
| 183 | L | 37.9 | Very low | 44.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | -119.4 | 92.4 | -151.9 | -162.9 | 79.8 | 0 | 0 | 0 | 113.6 | ||||
| 184 | G | 38.2 | Very low | 46.6 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | trans | -77.1 | 142.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S186 | G184-S186 PolarHBondContact O-N 3.34Š| ||
| 185 | P | 46.1 | Very low | 48.6 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | trans | -69.7 | 116.6 | -178.6 | 27.3 | -33.7 | 0 | 0 | 0 | 111.6 | M187 | P185-M187 PolarHBondContact O-N 2.85Š| ||
| 186 | S | 50.2 | Low | 50.9 | Low | 123 Ų | 123 | 123.8 Ų | 123.8 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | trans | -66.7 | 100.1 | 173.6 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | G184 | G184-S186 PolarHBondContact O-N 3.34Š| ||
| 187 | M | 58.7 | Low | 52.5 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 41% | 0.414 | 64% | 0.637 | S | S | . | * | trans | -63.7 | 134.3 | 169.1 | -70.6 | -64.5 | -37.8 | 0 | 0 | 109.6 | P185 D191 | P185-M187 PolarHBondContact O-N 2.85Å; M187-D191 HydrophobicContact CE-CB 3.51Å | ||
| 188 | A | 64.2 | Low | 54.1 | Low | 43 Ų | 43 | 117.9 Ų | 117.9 | 36% | 0.355 | 62% | 0.618 | S | S | . | * | trans | -61.5 | 142.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E190 D191 H192 | A188-E190 WeakPolarHBondContact CB-OE2 3.42Å; A188-E190 PolarHBondContact O-N 3.43Å; A188-E190 VanDerWaalsContact O-N 3.09Å; A188-D191 PolarHBondContact O-N 3.26Å; A188-H192 PolarHBondContact O-N 2.92Å | ||
| 189 | P | 60.5 | Low | 55.6 | Low | 96 Ų | 96 | 113.4 Ų | 113.4 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -52.4 | -33.7 | -179.7 | -28.1 | 35.5 | 0 | 0 | 0 | 113.8 | D191 H192 Y193 | P189-D191 VanDerWaalsContact C-N 3.33Å; P189-D191 PolarHBondContact O-N 2.87Å; P189-H192 PolarHBondContact O-N 3.15Å; P189-Y193 PolarHBondContact O-N 3.35Å |
| 190 | E | 65.7 | Low | 56.9 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 58% | 0.575 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.1 | -33.7 | -179.4 | -61.3 | 68.4 | -148.4 | 0 | 0 | 112.2 | A188 R194 | A188-E190 WeakPolarHBondContact CB-OE2 3.42Å; A188-E190 PolarHBondContact O-N 3.43Å; A188-E190 VanDerWaalsContact O-N 3.09Å; E190-R194 WeakPolarHBondContact O-CB 3.38Å; E190-R194 WeakPolarHBondContact O-CG 3.46Å; E190-R194 PolarHBondContact O-N 3.26Å |
| 191 | D | 63.9 | Low | 57.6 | Low | 52 Ų | 52 | 109.1 Ų | 109.1 | 28% | 0.278 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -81.8 | -27 | 176.5 | -77.4 | -23.3 | 0 | 0 | 0 | 112.5 | M187 A188 P189 R194 R195 | M187-D191 HydrophobicContact CE-CB 3.51Å; A188-D191 PolarHBondContact O-N 3.26Å; P189-D191 VanDerWaalsContact C-N 3.33Å; P189-D191 PolarHBondContact O-N 2.87Å; D191-R194 IonicContact OD1-CZ 3.84Å; D191-R194 IonicContact OD1-NE 3.51Å; D191-R194 PolarHBondContact OD1-NE 2.92Å; D191-R194 IonicContact OD1-NH2 2.64Å; D191-R194 PolarHBondContact OD1-NH2 3.25Å; D191-R195 WeakPolarHBondContact O-CB 3.46Å; D191-R195 VanDerWaalsContact O-CG 3.28Å; D191-R195 WeakPolarHBondContact O-CG 3.47Å; D191-R195 PolarHBondContact O-N 2.68Å |
| 192 | H | 71.7 | Confident | 58.2 | Low | 125 Ų | 125 | 106.6 Ų | 106.6 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65 | -48.2 | 166.2 | -174.6 | 87.5 | 0 | 0 | 0 | 110.3 | A188 P189 R194 R195 L196 | A188-H192 PolarHBondContact O-N 2.92Å; P189-H192 PolarHBondContact O-N 3.15Å; H192-R194 PolarHBondContact O-N 3.27Å; H192-R195 PolarHBondContact O-N 3.39Å; H192-L196 WeakPolarHBondContact O-CB 3.31Å; H192-L196 PolarHBondContact O-N 3.08Å |
| 193 | Y | 67.6 | Low | 58.9 | Low | 159 Ų | 159 | 101.6 Ų | 101.6 | 62% | 0.624 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60 | -45.6 | 176 | -175.7 | -100.9 | 0 | 0 | 0 | 112.3 | P189 R195 L196 V197 | P189-Y193 PolarHBondContact O-N 3.35Å; Y193-R195 PolarHBondContact O-N 3.22Å; Y193-L196 PolarHBondContact O-N 2.93Å; Y193-V197 HydrophobicContact CD1-CG2 4.12Å; Y193-V197 HydrophobicContact CE1-CG2 3.7Å; Y193-V197 HydrophobicContact CE2-CG2 4.15Å; Y193-V197 WeakPolarHBondContact O-CG2 3.25Å; Y193-V197 PolarHBondContact O-N 3.4Å |
| 194 | R | 72.9 | Confident | 59 | Low | 162 Ų | 162 | 100.4 Ų | 100.4 | 61% | 0.611 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.2 | -41 | 176.9 | -76.9 | -163.1 | -62.7 | 171.9 | -1.7 | 113 | E190 D191 H192 L196 V197 S198 | E190-R194 WeakPolarHBondContact O-CB 3.38Å; E190-R194 WeakPolarHBondContact O-CG 3.46Å; E190-R194 PolarHBondContact O-N 3.26Å; D191-R194 IonicContact OD1-CZ 3.84Å; D191-R194 IonicContact OD1-NE 3.51Å; D191-R194 PolarHBondContact OD1-NE 2.92Å; D191-R194 IonicContact OD1-NH2 2.64Å; D191-R194 PolarHBondContact OD1-NH2 3.25Å; H192-R194 PolarHBondContact O-N 3.27Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 2.9Å; R194-V197 PolarHBondContact O-N 3.05Å; R194-S198 WeakPolarHBondContact O-CB 3.25Å; R194-S198 PolarHBondContact O-N 3.19Å; R194-S198 PolarHBondContact O-OG 2.96Å |
| 195 | R | 72.2 | Confident | 59 | Low | 154 Ų | 154 | 103.2 Ų | 103.2 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.4 | -40.6 | 174.2 | -76.1 | 173.2 | -178.5 | 158.1 | 5.2 | 112 | D191 H192 Y193 S198 A199 | D191-R195 WeakPolarHBondContact O-CB 3.46Å; D191-R195 VanDerWaalsContact O-CG 3.28Å; D191-R195 WeakPolarHBondContact O-CG 3.47Å; D191-R195 PolarHBondContact O-N 2.68Å; H192-R195 PolarHBondContact O-N 3.39Å; Y193-R195 PolarHBondContact O-N 3.22Å; R195-S198 PolarHBondContact O-N 3.16Å; R195-A199 WeakPolarHBondContact O-CB 3.39Å; R195-A199 PolarHBondContact O-N 2.86Å |
| 196 | L | 75.7 | Confident | 59.1 | Low | 87 Ų | 87 | 106.7 Ų | 106.7 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.3 | -44.5 | 178.3 | -163.1 | 156.7 | 0 | 0 | 0 | 111.5 | H192 Y193 R194 A199 L200 | H192-L196 WeakPolarHBondContact O-CB 3.31Å; H192-L196 PolarHBondContact O-N 3.08Å; Y193-L196 PolarHBondContact O-N 2.93Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 2.9Å; L196-A199 PolarHBondContact O-N 3.16Å; L196-L200 HydrophobicContact CD2-CD1 3.71Å; L196-L200 HydrophobicContact CD2-CG 4.34Å; L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 2.97Å; L196-L200 VanDerWaalsContact O-N 3.09Å |
| 197 | V | 66 | Low | 58.6 | Low | 64 Ų | 64 | 108.5 Ų | 108.5 | 39% | 0.388 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.5 | -39.6 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 112 | Y193 R194 L200 S201 | Y193-V197 HydrophobicContact CD1-CG2 4.12Å; Y193-V197 HydrophobicContact CE1-CG2 3.7Å; Y193-V197 HydrophobicContact CE2-CG2 4.15Å; Y193-V197 WeakPolarHBondContact O-CG2 3.25Å; Y193-V197 PolarHBondContact O-N 3.4Å; R194-V197 PolarHBondContact O-N 3.05Å; V197-L200 PolarHBondContact O-N 3.15Å; V197-S201 PolarHBondContact O-N 2.61Å; V197-S201 VanDerWaalsContact O-N 3.09Å |
| 198 | S | 64.4 | Low | 57.5 | Low | 63 Ų | 63 | 108.1 Ų | 108.1 | 44% | 0.441 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.9 | -47.5 | 174.2 | -72.4 | 0 | 0 | 0 | 0 | 112 | R194 R195 L200 S201 E202 | R194-S198 WeakPolarHBondContact O-CB 3.25Å; R194-S198 PolarHBondContact O-N 3.19Å; R194-S198 PolarHBondContact O-OG 2.96Å; R195-S198 PolarHBondContact O-N 3.16Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 2.82Å; S198-S201 PolarHBondContact O-N 3.49Å; S198-S201 PolarHBondContact O-OG 2.94Å; S198-E202 PolarHBondContact O-N 3.36Å; S198-E202 VanDerWaalsContact O-N 3.07Å |
| 199 | A | 60.9 | Low | 56.6 | Low | 58 Ų | 58 | 111.7 Ų | 111.7 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.9 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R195 L196 S201 A203 | R195-A199 WeakPolarHBondContact O-CB 3.39Å; R195-A199 PolarHBondContact O-N 2.86Å; L196-A199 PolarHBondContact O-N 3.16Å; A199-S201 VanDerWaalsContact C-N 3.32Å; A199-S201 PolarHBondContact O-N 3.06Å; A199-A203 PolarHBondContact O-N 2.77Å |
| 200 | L | 56.5 | Low | 55.7 | Low | 125 Ų | 125 | 114.3 Ų | 114.3 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.3 | -27.7 | 173.5 | -70.3 | 174.5 | 0 | 0 | 0 | 113.3 | L196 V197 S198 | L196-L200 HydrophobicContact CD2-CD1 3.71Å; L196-L200 HydrophobicContact CD2-CG 4.34Å; L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 2.97Å; L196-L200 VanDerWaalsContact O-N 3.09Å; V197-L200 PolarHBondContact O-N 3.15Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 2.82Å |
| 201 | S | 51 | Low | 54.6 | Low | 74 Ų | 74 | 118.2 Ų | 118.2 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78.5 | -32.2 | 177 | 71.8 | 0 | 0 | 0 | 0 | 113.7 | V197 S198 A199 A203 S204 | V197-S201 PolarHBondContact O-N 2.61Å; V197-S201 VanDerWaalsContact O-N 3.09Å; S198-S201 PolarHBondContact O-N 3.49Å; S198-S201 PolarHBondContact O-OG 2.94Å; A199-S201 VanDerWaalsContact C-N 3.32Å; A199-S201 PolarHBondContact O-N 3.06Å; S201-A203 VanDerWaalsContact C-N 3.34Å; S201-S204 PolarHBondContact O-OG 3.45Å |
| 202 | E | 45.8 | Very low | 53.6 | Low | 149 Ų | 149 | 123.1 Ų | 123.1 | 70% | 0.696 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.1 | -24.8 | 177.8 | -69.8 | 178 | 167.6 | 0 | 0 | 112.4 | S198 S204 | S198-E202 PolarHBondContact O-N 3.36Å; S198-E202 VanDerWaalsContact O-N 3.07Å; E202-S204 PolarHBondContact O-N 2.84Å |
| 203 | A | 46.3 | Very low | 52.4 | Low | 82 Ų | 82 | 126.1 Ų | 126.1 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 20.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A199 S201 | A199-A203 PolarHBondContact O-N 2.77Å; S201-A203 VanDerWaalsContact C-N 3.34Å |
| 204 | S | 40.9 | Very low | 51.3 | Low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -3.2 | -175.3 | 58 | 0 | 0 | 0 | 0 | 115.1 | S201 E202 | S201-S204 PolarHBondContact O-OG 3.45Å; E202-S204 PolarHBondContact O-N 2.84Å |
| 205 | T | 37.1 | Very low | 50.1 | Low | 121 Ų | 121 | 126.5 Ų | 126.5 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -93.5 | 108.6 | 169.3 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | E207 | T205-E207 PolarHBondContact O-N 3.41Š|
| 206 | F | 48.8 | Very low | 48.6 | Very low | 194 Ų | 194 | 123.4 Ų | 123.4 | 85% | 0.851 | 67% | 0.671 | S | S | * | * | trans | -59.5 | 114.3 | 171.8 | 176.7 | -85.3 | 0 | 0 | 0 | 111.5 | ||||
| 207 | E | 39.8 | Very low | 46.8 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | trans | 173.3 | 158.7 | 145.1 | -92.3 | -75 | 57.6 | 0 | 0 | 110.3 | T205 | T205-E207 PolarHBondContact O-N 3.41Š| ||
| 208 | D | 36.3 | Very low | 45.6 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 41% | 0.406 | 70% | 0.703 | S | S | . | * | trans | 60.1 | 95.7 | 174.9 | -169.5 | 12.3 | 0 | 0 | 0 | 119.3 | Q210 R211 | D208-Q210 VanDerWaalsContact C-N 3.34Å; D208-Q210 PolarHBondContact O-N 2.81Å; D208-Q210 VanDerWaalsContact OD1-CB 3.3Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.32Å; D208-Q210 PolarHBondContact OD1-N 2.95Å; D208-R211 WeakPolarHBondContact OD2-CD 3.38Å; D208-R211 WeakPolarHBondContact OD2-CG 3.45Å; D208-R211 IonicContact OD2-NH1 2.63Å | ||
| 209 | P | 45.2 | Very low | 44.2 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -4.5 | 173 | -18.6 | 33 | 0 | 0 | 0 | 117.2 | ||
| 210 | Q | 42.1 | Very low | 43.2 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -13.1 | -164.5 | -69.9 | -88.7 | -60.3 | 0 | 0 | 115.5 | D208 | D208-Q210 VanDerWaalsContact C-N 3.34Å; D208-Q210 PolarHBondContact O-N 2.81Å; D208-Q210 VanDerWaalsContact OD1-CB 3.3Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.32Å; D208-Q210 PolarHBondContact OD1-N 2.95Å |
| 211 | R | 42.3 | Very low | 42.6 | Very low | 205 Ų | 205 | 134 Ų | 134 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -88.7 | -7.4 | -162.8 | -49.8 | -160.9 | 76.1 | 87.1 | 0.5 | 116.9 | D208 Y213 | D208-R211 WeakPolarHBondContact OD2-CD 3.38Å; D208-R211 WeakPolarHBondContact OD2-CG 3.45Å; D208-R211 IonicContact OD2-NH1 2.63Å; R211-Y213 PolarHBondContact O-N 2.99Å |
| 212 | L | 42.1 | Very low | 42.5 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -86.6 | 0.6 | -171.6 | -120.5 | 164.1 | 0 | 0 | 0 | 115.2 | H214 | L212-H214 PolarHBondContact O-N 3.35Š|
| 213 | Y | 46.9 | Very low | 42.4 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 74% | 0.737 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -83.4 | 3.7 | -174.4 | -68.8 | -77.9 | 0 | 0 | 0 | 116 | R211 | R211-Y213 PolarHBondContact O-N 2.99Š|
| 214 | H | 45.1 | Very low | 42.7 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -118.5 | 12.5 | -167.7 | -84.6 | 61.3 | 0 | 0 | 0 | 115.9 | L212 | L212-H214 PolarHBondContact O-N 3.35Š|
| 215 | L | 47.7 | Very low | 43.2 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -119.4 | 91.3 | 171.5 | -76.4 | 168.4 | 0 | 0 | 0 | 110.1 | L217 | L215-L217 PolarHBondContact O-N 3.28Š| ||
| 216 | G | 40.6 | Very low | 44.6 | Very low | 88 Ų | 88 | 142 Ų | 142 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | trans | -71.2 | 80 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 217 | L | 36.6 | Very low | 45.2 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -99.9 | 137.5 | 165.8 | -72.5 | 170.6 | 0 | 0 | 0 | 110.2 | L215 S219 | L215-L217 PolarHBondContact O-N 3.28Å; L217-S219 PolarHBondContact O-N 2.67Å; L217-S219 VanDerWaalsContact O-N 3.08Å | ||
| 218 | P | 41.6 | Very low | 46.2 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | -73.3 | 102.3 | -179.3 | 29.1 | -33.8 | 0 | 0 | 0 | 111.1 | H220 | P218-H220 PolarHBondContact O-N 2.82Š| ||
| 219 | S | 35 | Very low | 47.2 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -71.7 | 95.7 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | L217 | L217-S219 PolarHBondContact O-N 2.67Å; L217-S219 VanDerWaalsContact O-N 3.08Å | ||
| 220 | H | 40.4 | Very low | 48.5 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -78.2 | 117.4 | 170.6 | -89.5 | -96.2 | 0 | 0 | 0 | 111.3 | P218 | P218-H220 PolarHBondContact O-N 2.82Š| ||
| 221 | G | 42.8 | Very low | 50 | Low | 65 Ų | 65 | 129.3 Ų | 129.3 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 116.3 | -18.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 222 | Y | 50 | Low | 51.2 | Low | 232 Ų | 232 | 125.6 Ų | 125.6 | 91% | 0.91 | 70% | 0.703 | S | S | * | * | trans | -134.4 | 82.6 | 179.5 | -73.2 | -78.4 | 0 | 0 | 0 | 112.4 | ||||
| 223 | G | 42.7 | Very low | 52.8 | Low | 79 Ų | 79 | 123.6 Ų | 123.6 | 81% | 0.814 | 69% | 0.688 | S | S | * | * | trans | -141.4 | 32 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 224 | F | 53.9 | Low | 54.5 | Low | 200 Ų | 200 | 117.4 Ų | 117.4 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | trans | -141.8 | 55.2 | -176.5 | -155.5 | -97.1 | 0 | 0 | 0 | 114.2 | ||||
| 225 | L | 51.1 | Low | 56.3 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 53% | 0.534 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -142 | 129.6 | 158.8 | -64.6 | 176.7 | 0 | 0 | 0 | 107.9 | Q229 | L225-Q229 HydrophobicContact CB-CB 4.39Å; L225-Q229 HydrophobicContact CD2-CG 4.11Å |
| 226 | P | 66.6 | Low | 58.2 | Low | 82 Ų | 82 | 116.2 Ų | 116.2 | 53% | 0.532 | 66% | 0.659 | S | S | . | * | trans | -60.8 | 153.2 | 171.6 | -23.9 | 35.3 | 0 | 0 | 0 | 111.8 | A228 Q229 A230 | P226-A228 PolarHBondContact O-N 3.5Å; P226-Q229 WeakPolarHBondContact O-CA 3.37Å; P226-Q229 WeakPolarHBondContact O-CB 3.43Å; P226-Q229 PolarHBondContact O-N 2.87Å; P226-A230 PolarHBondContact O-N 3.4Å | ||
| 227 | P | 61.6 | Low | 60.3 | Low | 100 Ų | 100 | 116.3 Ų | 116.3 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.7 | -45.5 | -172 | -30.7 | 36.3 | 0 | 0 | 0 | 114.9 | Q229 A230 E231 | P227-Q229 PolarHBondContact O-N 3.01Å; P227-Q229 VanDerWaalsContact O-N 3.16Å; P227-A230 WeakPolarHBondContact O-CB 3.49Å; P227-A230 PolarHBondContact O-N 3.28Å; P227-E231 PolarHBondContact O-N 2.94Å |
| 228 | A | 60.7 | Low | 62.7 | Low | 58 Ų | 58 | 111.9 Ų | 111.9 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.6 | -27.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P226 M232 | P226-A228 PolarHBondContact O-N 3.5Å; A228-M232 WeakPolarHBondContact O-CB 3.48Å; A228-M232 WeakPolarHBondContact O-CE 3.37Å; A228-M232 WeakPolarHBondContact O-CG 3.22Å; A228-M232 PolarHBondContact O-N 3.5Å |
| 229 | Q | 56.3 | Low | 65 | Low | 98 Ų | 98 | 112 Ų | 112 | 46% | 0.458 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -80.8 | -32.9 | 177.2 | -165 | 172.8 | 13.4 | 0 | 0 | 111.9 | L225 P226 P227 F233 | L225-Q229 HydrophobicContact CB-CB 4.39Å; L225-Q229 HydrophobicContact CD2-CG 4.11Å; P226-Q229 WeakPolarHBondContact O-CA 3.37Å; P226-Q229 WeakPolarHBondContact O-CB 3.43Å; P226-Q229 PolarHBondContact O-N 2.87Å; P227-Q229 PolarHBondContact O-N 3.01Å; P227-Q229 VanDerWaalsContact O-N 3.16Å; Q229-F233 WeakPolarHBondContact O-CB 3.35Å; Q229-F233 PolarHBondContact O-N 3.49Å |
| 230 | A | 72.4 | Confident | 67.5 | Low | 49 Ų | 49 | 110.3 Ų | 110.3 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.2 | -41.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P226 P227 F233 A234 | P226-A230 PolarHBondContact O-N 3.4Å; P227-A230 WeakPolarHBondContact O-CB 3.49Å; P227-A230 PolarHBondContact O-N 3.28Å; A230-F233 PolarHBondContact O-N 3.42Å; A230-A234 WeakPolarHBondContact O-CB 3.45Å; A230-A234 PolarHBondContact O-N 3.4Å |
| 231 | E | 73.1 | Confident | 69.7 | Low | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.2 | -45.6 | 174.5 | -72.9 | 173.3 | -162.1 | 0 | 0 | 112.3 | P227 F233 A234 W235 | P227-E231 PolarHBondContact O-N 2.94Å; E231-F233 VanDerWaalsContact C-N 3.34Å; E231-F233 PolarHBondContact O-N 2.92Å; E231-A234 PolarHBondContact O-N 2.89Å; E231-W235 WeakPolarHBondContact O-CB 3.5Å; E231-W235 PolarHBondContact O-N 3.47Å |
| 232 | M | 67.8 | Low | 71.7 | Confident | 127 Ų | 127 | 110.5 Ų | 110.5 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -39 | 174.7 | -78.5 | -173.7 | -76 | 0 | 0 | 112.4 | A228 W235 Q236 | A228-M232 WeakPolarHBondContact O-CB 3.48Å; A228-M232 WeakPolarHBondContact O-CE 3.37Å; A228-M232 WeakPolarHBondContact O-CG 3.22Å; A228-M232 PolarHBondContact O-N 3.5Å; M232-W235 PolarHBondContact O-N 3.17Å; M232-Q236 WeakPolarHBondContact O-CB 3.24Å; M232-Q236 PolarHBondContact O-N 3.12Å |
| 233 | F | 76.6 | Confident | 73.3 | Confident | 114 Ų | 114 | 105.2 Ų | 105.2 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175 | -174.6 | -100.7 | 0 | 0 | 0 | 112 | Q229 A230 E231 W235 Q236 Q237 | Q229-F233 WeakPolarHBondContact O-CB 3.35Å; Q229-F233 PolarHBondContact O-N 3.49Å; A230-F233 PolarHBondContact O-N 3.42Å; E231-F233 VanDerWaalsContact C-N 3.34Å; E231-F233 PolarHBondContact O-N 2.92Å; F233-W235 PolarHBondContact O-N 3.26Å; F233-Q236 PolarHBondContact O-N 3.39Å; F233-Q237 HydrophobicContact CD1-CG 4.19Å; F233-Q237 HydrophobicContact CE1-CG 3.86Å; F233-Q237 HydrophobicContact CZ-CG 4.15Å; F233-Q237 WeakPolarHBondContact O-CG 3.47Å; F233-Q237 PolarHBondContact O-N 3.46Å |
| 234 | A | 81.5 | Confident | 75 | Confident | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A230 E231 Q237 E238 | A230-A234 WeakPolarHBondContact O-CB 3.45Å; A230-A234 PolarHBondContact O-N 3.4Å; E231-A234 PolarHBondContact O-N 2.89Å; A234-Q237 PolarHBondContact O-N 3.07Å; A234-E238 WeakPolarHBondContact O-CB 3.27Å; A234-E238 PolarHBondContact O-N 2.58Å |
| 235 | W | 84.4 | Confident | 76.2 | Confident | 179 Ų | 179 | 98.8 Ų | 98.8 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 172.6 | -104 | 101 | 0 | 0 | 0 | 112.9 | E231 M232 F233 E238 L239 | E231-W235 WeakPolarHBondContact O-CB 3.5Å; E231-W235 PolarHBondContact O-N 3.47Å; M232-W235 PolarHBondContact O-N 3.17Å; F233-W235 PolarHBondContact O-N 3.26Å; W235-E238 PolarHBondContact O-N 3.01Å; W235-L239 VanDerWaalsContact O-CB 3.26Å; W235-L239 WeakPolarHBondContact O-CB 3.17Å; W235-L239 PolarHBondContact O-N 3.22Å |
| 236 | Q | 85.7 | Confident | 77.2 | Confident | 126 Ų | 126 | 96.5 Ų | 96.5 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 175.6 | -175.7 | 179.4 | -44.4 | 0 | 0 | 111.6 | M232 F233 L240 | M232-Q236 WeakPolarHBondContact O-CB 3.24Å; M232-Q236 PolarHBondContact O-N 3.12Å; F233-Q236 PolarHBondContact O-N 3.39Å; Q236-L240 VanDerWaalsContact O-CB 3.31Å; Q236-L240 WeakPolarHBondContact O-CB 3.46Å; Q236-L240 PolarHBondContact O-N 3.31Å |
| 237 | Q | 85.9 | Confident | 77.3 | Confident | 89 Ų | 89 | 100.7 Ų | 100.7 | 42% | 0.416 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 174.9 | -68.5 | -62.8 | -23.5 | 0 | 0 | 111.8 | F233 A234 L240 R241 | F233-Q237 HydrophobicContact CD1-CG 4.19Å; F233-Q237 HydrophobicContact CE1-CG 3.86Å; F233-Q237 HydrophobicContact CZ-CG 4.15Å; F233-Q237 WeakPolarHBondContact O-CG 3.47Å; F233-Q237 PolarHBondContact O-N 3.46Å; A234-Q237 PolarHBondContact O-N 3.07Å; Q237-L240 PolarHBondContact O-N 3.09Å; Q237-R241 WeakPolarHBondContact O-CB 3.49Å; Q237-R241 PolarHBondContact O-N 2.81Å |
| 238 | E | 85.8 | Confident | 77.7 | Confident | 61 Ų | 61 | 101.9 Ų | 101.9 | 29% | 0.285 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | 178.5 | 179.1 | 59.9 | -171.9 | 0 | 0 | 112.3 | A234 W235 R241 K242 | A234-E238 WeakPolarHBondContact O-CB 3.27Å; A234-E238 PolarHBondContact O-N 2.58Å; W235-E238 PolarHBondContact O-N 3.01Å; E238-R241 VanDerWaalsContact CD-NH2 3.34Å; E238-R241 PolarHBondContact O-N 3.18Å; E238-R241 IonicContact OE1-CZ 3.05Å; E238-R241 IonicContact OE1-NE 3.2Å; E238-R241 IonicContact OE1-NH2 2.72Å; E238-R241 PolarHBondContact OE1-NH2 2.99Å; E238-R241 IonicContact OE2-CZ 2.8Å; E238-R241 IonicContact OE2-NE 3.78Å; E238-R241 PolarHBondContact OE2-NE 3.3Å; E238-R241 IonicContact OE2-NH2 3.99Å; E238-R241 PolarHBondContact OE2-NH2 3.12Å; E238-R241 VanDerWaalsContact OE2-NH2 3.11Å; E238-K242 WeakPolarHBondContact O-CB 3.31Å; E238-K242 WeakPolarHBondContact O-CG 3.37Å; E238-K242 PolarHBondContact O-N 3.3Å; E238-K242 WeakPolarHBondContact OE1-CE 3.38Å; E238-K242 IonicContact OE1-NZ 2.58Å |
| 239 | L | 90.9 | Very high | 78 | Confident | 110 Ų | 110 | 103.9 Ų | 103.9 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -41.4 | 174.1 | -174.5 | 63.4 | 0 | 0 | 0 | 111.6 | W235 K242 Q243 | W235-L239 VanDerWaalsContact O-CB 3.26Å; W235-L239 WeakPolarHBondContact O-CB 3.17Å; W235-L239 PolarHBondContact O-N 3.22Å; L239-K242 PolarHBondContact O-N 3.13Å; L239-Q243 WeakPolarHBondContact O-CB 3.38Å; L239-Q243 PolarHBondContact O-N 2.9Å |
| 240 | L | 87.3 | Confident | 78.6 | Confident | 81 Ų | 81 | 105.5 Ų | 105.5 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 174 | -176.2 | 61.9 | 0 | 0 | 0 | 111.7 | Q236 Q237 Q243 N244 | Q236-L240 VanDerWaalsContact O-CB 3.31Å; Q236-L240 WeakPolarHBondContact O-CB 3.46Å; Q236-L240 PolarHBondContact O-N 3.31Å; Q237-L240 PolarHBondContact O-N 3.09Å; L240-Q243 PolarHBondContact O-N 3.09Å; L240-N244 PolarHBondContact O-N 2.86Å; L240-N244 PolarHBondContact O-ND2 3.16Å |
| 241 | R | 86.4 | Confident | 78.3 | Confident | 140 Ų | 140 | 106.2 Ų | 106.2 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 174.2 | -165.3 | -175.6 | 70.5 | 83.5 | 3.7 | 111.3 | Q237 E238 N244 L245 | Q237-R241 WeakPolarHBondContact O-CB 3.49Å; Q237-R241 PolarHBondContact O-N 2.81Å; E238-R241 VanDerWaalsContact CD-NH2 3.34Å; E238-R241 PolarHBondContact O-N 3.18Å; E238-R241 IonicContact OE1-CZ 3.05Å; E238-R241 IonicContact OE1-NE 3.2Å; E238-R241 IonicContact OE1-NH2 2.72Å; E238-R241 PolarHBondContact OE1-NH2 2.99Å; E238-R241 IonicContact OE2-CZ 2.8Å; E238-R241 IonicContact OE2-NE 3.78Å; E238-R241 PolarHBondContact OE2-NE 3.3Å; E238-R241 IonicContact OE2-NH2 3.99Å; E238-R241 PolarHBondContact OE2-NH2 3.12Å; E238-R241 VanDerWaalsContact OE2-NH2 3.11Å; R241-N244 PolarHBondContact O-N 3.5Å; R241-L245 WeakPolarHBondContact O-CB 3.47Å; R241-L245 PolarHBondContact O-N 2.94Å |
| 242 | K | 86.3 | Confident | 77.9 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.3 | -73.4 | 178.2 | -173.2 | 178.6 | 0 | 112.6 | E238 L239 N244 L245 A246 | E238-K242 WeakPolarHBondContact O-CB 3.31Å; E238-K242 WeakPolarHBondContact O-CG 3.37Å; E238-K242 PolarHBondContact O-N 3.3Å; E238-K242 WeakPolarHBondContact OE1-CE 3.38Å; E238-K242 IonicContact OE1-NZ 2.58Å; L239-K242 PolarHBondContact O-N 3.13Å; K242-N244 VanDerWaalsContact C-N 3.35Å; K242-N244 PolarHBondContact O-N 3.29Å; K242-L245 PolarHBondContact O-N 2.68Å; K242-A246 PolarHBondContact O-N 3.35Å |
| 243 | Q | 82.4 | Confident | 77.9 | Confident | 121 Ų | 121 | 101.2 Ų | 101.2 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 176 | -174.5 | -176 | 93.1 | 0 | 0 | 111.7 | L239 L240 R247 | L239-Q243 WeakPolarHBondContact O-CB 3.38Å; L239-Q243 PolarHBondContact O-N 2.9Å; L240-Q243 PolarHBondContact O-N 3.09Å; Q243-R247 WeakPolarHBondContact O-CG 3.38Å; Q243-R247 PolarHBondContact O-N 3.08Å |
| 244 | N | 78 | Confident | 77.5 | Confident | 68 Ų | 68 | 101.1 Ų | 101.1 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 177.1 | -75.2 | -63 | 0 | 0 | 0 | 112.7 | L240 R241 K242 R247 L248 | L240-N244 PolarHBondContact O-N 2.86Å; L240-N244 PolarHBondContact O-ND2 3.16Å; R241-N244 PolarHBondContact O-N 3.5Å; K242-N244 VanDerWaalsContact C-N 3.35Å; K242-N244 PolarHBondContact O-N 3.29Å; N244-R247 PolarHBondContact O-N 3.42Å; N244-L248 WeakPolarHBondContact O-CG 3.44Å; N244-L248 PolarHBondContact O-N 2.91Å |
| 245 | L | 80.6 | Confident | 76.9 | Confident | 76 Ų | 76 | 104.3 Ų | 104.3 | 40% | 0.398 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 173.3 | -177.8 | 61.3 | 0 | 0 | 0 | 111.6 | R241 K242 R247 L248 E249 | R241-L245 WeakPolarHBondContact O-CB 3.47Å; R241-L245 PolarHBondContact O-N 2.94Å; K242-L245 PolarHBondContact O-N 2.68Å; L245-R247 PolarHBondContact O-N 3.12Å; L245-L248 CarbonylContact O-C 3.58Å; L245-L248 WeakPolarHBondContact O-CA 3.35Å; L245-L248 WeakPolarHBondContact O-CB 3.48Å; L245-L248 PolarHBondContact O-N 2.94Å; L245-E249 HydrophobicContact CD1-CG 4.35Å; L245-E249 HydrophobicContact CG-CG 4.37Å; L245-E249 WeakPolarHBondContact O-CG 3.48Å; L245-E249 PolarHBondContact O-N 2.63Å |
| 246 | A | 70.2 | Confident | 76.3 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -31.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | K242 L248 L250 | K242-A246 PolarHBondContact O-N 3.35Å; A246-L248 VanDerWaalsContact C-N 3.27Å; A246-L248 PolarHBondContact O-N 2.83Å; A246-L250 PolarHBondContact O-N 3.12Å |
| 247 | R | 69.4 | Low | 75.6 | Confident | 170 Ų | 170 | 103.4 Ų | 103.4 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.4 | -16.5 | 172.8 | -73.3 | -179 | 69.5 | -135.7 | -0.7 | 114.2 | Q243 N244 L245 P251 | Q243-R247 WeakPolarHBondContact O-CG 3.38Å; Q243-R247 PolarHBondContact O-N 3.08Å; N244-R247 PolarHBondContact O-N 3.42Å; L245-R247 PolarHBondContact O-N 3.12Å; R247-P251 VanDerWaalsContact O-CD 3.24Å; R247-P251 WeakPolarHBondContact O-CD 3.36Å; R247-P251 WeakPolarHBondContact O-CG 3.44Å |
| 248 | L | 69.8 | Low | 75 | Confident | 125 Ų | 125 | 106.4 Ų | 106.4 | 65% | 0.654 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -100.4 | -23.9 | 176.1 | -67.2 | 173.8 | 0 | 0 | 0 | 112.7 | N244 L245 A246 P251 | N244-L248 WeakPolarHBondContact O-CG 3.44Å; N244-L248 PolarHBondContact O-N 2.91Å; L245-L248 CarbonylContact O-C 3.58Å; L245-L248 WeakPolarHBondContact O-CA 3.35Å; L245-L248 WeakPolarHBondContact O-CB 3.48Å; L245-L248 PolarHBondContact O-N 2.94Å; A246-L248 VanDerWaalsContact C-N 3.27Å; A246-L248 PolarHBondContact O-N 2.83Å; L248-P251 WeakPolarHBondContact O-CD 3.16Å |
| 249 | E | 68.4 | Low | 74.3 | Confident | 100 Ų | 100 | 109.9 Ų | 109.9 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.6 | -45.9 | 174 | -71.1 | 168.5 | 156.6 | 0 | 0 | 111.5 | L245 A252 D253 | L245-E249 HydrophobicContact CD1-CG 4.35Å; L245-E249 HydrophobicContact CG-CG 4.37Å; L245-E249 WeakPolarHBondContact O-CG 3.48Å; L245-E249 PolarHBondContact O-N 2.63Å; E249-A252 WeakPolarHBondContact O-CA 3.19Å; E249-A252 WeakPolarHBondContact O-CB 3.37Å; E249-A252 PolarHBondContact O-N 2.98Å; E249-D253 PolarHBondContact O-N 3.14Å |
| 250 | L | 67.3 | Low | 73 | Confident | 133 Ų | 133 | 110 Ų | 110 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.8 | -42.3 | -178.3 | -151.8 | 91 | 0 | 0 | 0 | 114.2 | A246 L254 | A246-L250 PolarHBondContact O-N 3.12Å; L250-L254 PolarHBondContact O-N 2.85Å |
| 251 | P | 66.5 | Low | 71.8 | Confident | 64 Ų | 64 | 112.7 Ų | 112.7 | 42% | 0.416 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.1 | -31 | 172.8 | -20 | 34.4 | 0 | 0 | 0 | 113.8 | R247 L248 L255 | R247-P251 VanDerWaalsContact O-CD 3.24Å; R247-P251 WeakPolarHBondContact O-CD 3.36Å; R247-P251 WeakPolarHBondContact O-CG 3.44Å; L248-P251 WeakPolarHBondContact O-CD 3.16Å; P251-L255 WeakPolarHBondContact O-CG 3.38Å; P251-L255 PolarHBondContact O-N 3.29Å |
| 252 | A | 65.6 | Low | 70.5 | Confident | 54 Ų | 54 | 110.6 Ų | 110.6 | 45% | 0.446 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.8 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E249 L255 R256 | E249-A252 WeakPolarHBondContact O-CA 3.19Å; E249-A252 WeakPolarHBondContact O-CB 3.37Å; E249-A252 PolarHBondContact O-N 2.98Å; A252-L255 PolarHBondContact O-N 3Å; A252-R256 WeakPolarHBondContact O-CB 3.32Å; A252-R256 PolarHBondContact O-N 2.73Å |
| 253 | D | 66 | Low | 69.2 | Low | 97 Ų | 97 | 108.9 Ų | 108.9 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -37.9 | 173.7 | -80.3 | -39.4 | 0 | 0 | 0 | 111.9 | E249 L255 R256 Q257 | E249-D253 PolarHBondContact O-N 3.14Å; D253-L255 PolarHBondContact O-N 3.4Å; D253-R256 PolarHBondContact O-N 2.78Å; D253-Q257 VanDerWaalsContact O-CB 3.27Å; D253-Q257 WeakPolarHBondContact O-CB 3.49Å; D253-Q257 PolarHBondContact O-N 3Å |
| 254 | L | 69.5 | Low | 67.9 | Low | 112 Ų | 112 | 113 Ų | 113 | 59% | 0.586 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.1 | -42.1 | 172.7 | -103.1 | 164.1 | 0 | 0 | 0 | 112.7 | L250 K258 | L250-L254 PolarHBondContact O-N 2.85Å; L254-K258 WeakPolarHBondContact O-CB 3.39Å; L254-K258 PolarHBondContact O-N 3.08Å; L254-K258 VanDerWaalsContact O-N 3.08Å |
| 255 | L | 68.6 | Low | 66.7 | Low | 125 Ų | 125 | 115 Ų | 115 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.6 | -44.4 | 174.3 | -75.5 | 166.7 | 0 | 0 | 0 | 111.6 | P251 A252 D253 K258 E259 | P251-L255 WeakPolarHBondContact O-CG 3.38Å; P251-L255 PolarHBondContact O-N 3.29Å; A252-L255 PolarHBondContact O-N 3Å; D253-L255 PolarHBondContact O-N 3.4Å; L255-K258 PolarHBondContact O-N 2.86Å; L255-E259 PolarHBondContact O-N 2.91Å |
| 256 | R | 72.2 | Confident | 65.4 | Low | 157 Ų | 157 | 120.9 Ų | 120.9 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.5 | -33.6 | -179.3 | -151.5 | -175.5 | 77.5 | 156.4 | 4.5 | 112.9 | A252 D253 L260 | A252-R256 WeakPolarHBondContact O-CB 3.32Å; A252-R256 PolarHBondContact O-N 2.73Å; D253-R256 PolarHBondContact O-N 2.78Å; R256-L260 WeakPolarHBondContact O-CB 3.49Å; R256-L260 PolarHBondContact O-N 3.26Å |
| 257 | Q | 69.9 | Low | 64.2 | Low | 128 Ų | 128 | 126 Ų | 126 | 60% | 0.598 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.8 | -43.4 | 172.5 | -178 | 174.9 | -32.7 | 0 | 0 | 110.8 | D253 E259 L260 E261 | D253-Q257 VanDerWaalsContact O-CB 3.27Å; D253-Q257 WeakPolarHBondContact O-CB 3.49Å; D253-Q257 PolarHBondContact O-N 3Å; Q257-E259 VanDerWaalsContact C-N 3.32Å; Q257-E259 PolarHBondContact O-N 3Å; Q257-L260 PolarHBondContact O-N 3.11Å; Q257-E261 WeakPolarHBondContact O-CB 3.41Å; Q257-E261 PolarHBondContact O-N 3.38Å |
| 258 | K | 74.6 | Confident | 62.7 | Low | 152 Ų | 152 | 125.9 Ų | 125.9 | 66% | 0.661 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.6 | -37.8 | 175.3 | -174.1 | 177 | -179.2 | 179.3 | 0 | 112.4 | L254 L255 E261 S262 | L254-K258 WeakPolarHBondContact O-CB 3.39Å; L254-K258 PolarHBondContact O-N 3.08Å; L254-K258 VanDerWaalsContact O-N 3.08Å; L255-K258 PolarHBondContact O-N 2.86Å; K258-E261 PolarHBondContact O-N 3.43Å; K258-S262 WeakPolarHBondContact O-CB 3.48Å; K258-S262 PolarHBondContact O-N 3.28Å; K258-S262 PolarHBondContact O-OG 2.97Å |
| 259 | E | 69.8 | Low | 61.3 | Low | 134 Ų | 134 | 124.4 Ų | 124.4 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.1 | -48.6 | 174 | -167.5 | 178.6 | -155.7 | 0 | 0 | 111.1 | L255 Q257 E261 S262 A263 | L255-E259 PolarHBondContact O-N 2.91Å; Q257-E259 VanDerWaalsContact C-N 3.32Å; Q257-E259 PolarHBondContact O-N 3Å; E259-E261 VanDerWaalsContact C-N 3.29Å; E259-E261 PolarHBondContact O-N 3.38Å; E259-S262 PolarHBondContact O-N 3.04Å; E259-S262 VanDerWaalsContact O-N 3.14Å; E259-S262 PolarHBondContact O-OG 3.36Å; E259-A263 WeakPolarHBondContact O-CB 3.26Å; E259-A263 PolarHBondContact O-N 3.23Å |
| 260 | L | 64.3 | Low | 60 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 59% | 0.592 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -58.4 | -36.1 | 174.9 | -87.6 | 161 | 0 | 0 | 0 | 113.6 | R256 Q257 A263 | R256-L260 WeakPolarHBondContact O-CB 3.49Å; R256-L260 PolarHBondContact O-N 3.26Å; Q257-L260 PolarHBondContact O-N 3.11Å; L260-A263 PolarHBondContact O-N 3.34Å |
| 261 | E | 61.2 | Low | 58.4 | Low | 137 Ų | 137 | 127.3 Ų | 127.3 | 64% | 0.64 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.7 | -40.4 | 175.8 | -165.6 | 172.5 | 168 | 0 | 0 | 111.6 | Q257 K258 E259 A263 | Q257-E261 WeakPolarHBondContact O-CB 3.41Å; Q257-E261 PolarHBondContact O-N 3.38Å; K258-E261 PolarHBondContact O-N 3.43Å; E259-E261 VanDerWaalsContact C-N 3.29Å; E259-E261 PolarHBondContact O-N 3.38Å; E261-A263 VanDerWaalsContact C-N 3.26Å; E261-A263 PolarHBondContact O-N 3.36Å |
| 262 | S | 59.4 | Low | 56.7 | Low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -68.6 | -21.5 | 174.3 | 74.7 | 0 | 0 | 0 | 0 | 114.2 | K258 E259 | K258-S262 WeakPolarHBondContact O-CB 3.48Å; K258-S262 PolarHBondContact O-N 3.28Å; K258-S262 PolarHBondContact O-OG 2.97Å; E259-S262 PolarHBondContact O-N 3.04Å; E259-S262 VanDerWaalsContact O-N 3.14Å; E259-S262 PolarHBondContact O-OG 3.36Å |
| 263 | A | 59.8 | Low | 55.1 | Low | 70 Ų | 70 | 132.1 Ų | 132.1 | 58% | 0.579 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 2.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E259 L260 E261 P265 | E259-A263 WeakPolarHBondContact O-CB 3.26Å; E259-A263 PolarHBondContact O-N 3.23Å; L260-A263 PolarHBondContact O-N 3.34Å; E261-A263 VanDerWaalsContact C-N 3.26Å; E261-A263 PolarHBondContact O-N 3.36Å; A263-P265 VanDerWaalsContact O-CD 3.32Å; A263-P265 WeakPolarHBondContact O-CD 3.3Å |
| 264 | R | 55.6 | Low | 53.5 | Low | 209 Ų | 209 | 135.6 Ų | 135.6 | 79% | 0.789 | 72% | 0.721 | S | S | * | * | trans | -80.1 | 116.5 | 176.3 | -90.7 | -179.9 | 152.8 | 175.6 | -6.5 | 111.8 | ||||
| 265 | P | 52.1 | Low | 52 | Low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | trans | -68.6 | 146.7 | 173.6 | -17.5 | 32.8 | 0 | 0 | 0 | 112 | A263 L267 | A263-P265 VanDerWaalsContact O-CD 3.32Å; A263-P265 WeakPolarHBondContact O-CD 3.3Å; P265-L267 PolarHBondContact O-N 3.17Å | ||
| 266 | Q | 53.6 | Low | 50.7 | Low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | trans | -73 | 96.3 | 175.6 | -65.8 | 171.8 | 3.1 | 0 | 0 | 110.3 | ||||
| 267 | L | 45 | Very low | 48.8 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -118.9 | 82.2 | 171.7 | -80.7 | 175.9 | 0 | 0 | 0 | 110.9 | P265 | P265-L267 PolarHBondContact O-N 3.17Š| ||
| 268 | L | 37.7 | Very low | 46.9 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | trans | -162 | 86.1 | 154.1 | -112.5 | 166.2 | 0 | 0 | 0 | 110.3 | ||||
| 269 | A | 39.8 | Very low | 44.7 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | -128.9 | 130.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 270 | P | 41.5 | Very low | 42.9 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -109 | 146.6 | 150.2 | -4 | 24.6 | 0 | 0 | 0 | 110.3 | ||||
| 271 | E | 33.9 | Very low | 41.6 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -98 | -172.7 | -175.1 | -60.7 | -158.9 | 112 | 0 | 0 | 114.3 | ||||
| 272 | T | 30.7 | Very low | 40.3 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 77.7 | 84.9 | 150.7 | 46.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 273 | A | 32.7 | Very low | 39.2 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | 93.1 | 158.8 | 108.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 274 | L | 31.2 | Very low | 37.8 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | 77.4 | 104.6 | 169.3 | -52.2 | -175 | 0 | 0 | 0 | 119.1 | ||||
| 275 | R | 38.1 | Very low | 37 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -66 | 159.8 | 147 | -75.4 | -77.7 | 87.1 | 157.7 | 0.6 | 108.9 | ||||
| 276 | P | 41.1 | Very low | 36.4 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | -156.4 | 162.3 | 55.5 | 45.7 | -24.9 | 0 | 0 | 0 | 121.4 | |||||
| 277 | N | 31.8 | Very low | 35.3 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 74.9 | 147.8 | 141 | -139.9 | 25.9 | 0 | 0 | 0 | 125.4 | ||||
| 278 | D | 30.5 | Very low | 34.8 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 63.7 | 149 | 153.3 | -96.4 | -52.3 | 0 | 0 | 0 | 123.4 | ||||
| 279 | G | 28.5 | Very low | 34.9 | Very low | 69 Ų | 69 | 141.2 Ų | 141.2 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 123.5 | 107.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 280 | A | 33.3 | Very low | 34.9 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -68.3 | 158.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 281 | E | 35.3 | Very low | 34.9 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | -158.9 | 160.1 | 68.1 | -84.8 | -169.4 | 114.1 | 0 | 0 | 115.3 | |||||
| 282 | E | 34.4 | Very low | 34.8 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 37.4 | 125.7 | 162.1 | -145 | 59 | -164.9 | 0 | 0 | 123.2 | ||||
| 283 | L | 37.5 | Very low | 34.9 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | -113.2 | 153.8 | 177.4 | -164 | 86.1 | 0 | 0 | 0 | 110.9 | ||||
| 284 | Q | 30.6 | Very low | 35.1 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 50% | 0.495 | 78% | 0.78 | S | S | . | * | trans | 82.1 | 104 | 146.2 | -154.9 | 97.3 | -99.9 | 0 | 0 | 120.1 | ||||
| 285 | R | 36.9 | Very low | 35.1 | Very low | 228 Ų | 228 | 141.8 Ų | 141.8 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | 176 | 123.3 | 108.3 | -89.1 | 162.4 | -154.6 | -94.2 | 1.2 | 108.2 | |||||
| 286 | R | 39.4 | Very low | 34.8 | Very low | 217 Ų | 217 | 136.4 Ų | 136.4 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | 71.9 | 124.4 | 54.3 | -69.3 | -169.7 | 178.6 | -158.2 | -3.7 | 114.3 | |||||
| 287 | G | 31.6 | Very low | 34.4 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 103.6 | 106.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 288 | A | 34.9 | Very low | 35.4 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | cis | 94.7 | 124.4 | 33.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 289 | L | 39.1 | Very low | 35.4 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 27.7 | 130.9 | 166.3 | -95.7 | 71.4 | 0 | 0 | 0 | 121.2 | ||||
| 290 | L | 40.8 | Very low | 35.6 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | trans | -136.1 | 155.9 | 142.2 | -77.5 | -178.7 | 0 | 0 | 0 | 111 | ||||
| 291 | V | 39.7 | Very low | 35.4 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -143.6 | 164.2 | -172.5 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 292 | L | 33.7 | Very low | 35.2 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 86.7 | 125.5 | 179.8 | -53.1 | 163.4 | 0 | 0 | 0 | 113.7 | ||||
| 293 | N | 30.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | 97.2 | 151.8 | 30.1 | -162 | 7.5 | 0 | 0 | 0 | 113.3 | ||||
| 294 | H | 38.7 | Very low | 35.8 | Very low | 151 Ų | 151 | 133 Ų | 133 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 85.3 | 128.6 | 169.8 | -39.4 | -64.8 | 0 | 0 | 0 | 120.3 | ||||
| 295 | G | 30.3 | Very low | 36 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | 118.1 | 87.9 | 119.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 296 | A | 32.8 | Very low | 35.7 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 93% | 0.934 | 79% | 0.79 | S | S | * | * | trans | 62.3 | 173.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 297 | A | 32.3 | Very low | 36.4 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -128.4 | -165 | -175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 298 | P | 51.6 | Low | 37.6 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | cis | -143.2 | -161.9 | 2.5 | 29.9 | -1.9 | 0 | 0 | 0 | 115.9 | ||||
| 299 | L | 30.3 | Very low | 37.4 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 96.4 | 113.9 | 153.7 | -54.9 | -178.1 | 0 | 0 | 0 | 122.6 | ||||
| 300 | L | 32.8 | Very low | 37.2 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | 43.6 | 124.9 | 128.1 | -58.3 | 176.5 | 0 | 0 | 0 | 123 | |||||
| 301 | A | 29.1 | Very low | 36.7 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -148.4 | 154 | 144.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 302 | L | 31.5 | Very low | 37.4 | Very low | 169 Ų | 169 | 120 Ų | 120 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | trans | -126.2 | 167.8 | -177.7 | -89.1 | 174.3 | 0 | 0 | 0 | 111.7 | ||||
| 303 | P | 46.1 | Very low | 38.2 | Very low | 104 Ų | 104 | 119 Ų | 119 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -99 | 171.9 | -155.3 | 39.3 | -39.3 | 0 | 0 | 0 | 116 | ||||
| 304 | P | 38.6 | Very low | 38.5 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -82.2 | 162.5 | 166.3 | 34.6 | -35 | 0 | 0 | 0 | 113.8 | ||||
| 305 | Q | 34.9 | Very low | 39.4 | Very low | 197 Ų | 197 | 116.9 Ų | 116.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -109.3 | 174.8 | 175.4 | -50.7 | -167.9 | 17.5 | 0 | 0 | 110.3 | ||||
| 306 | G | 30.9 | Very low | 39.2 | Very low | 66 Ų | 66 | 118.6 Ų | 118.6 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | -171.6 | -111.4 | 8.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 307 | P | 53.3 | Low | 39.2 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | -118.6 | -159.7 | -125 | 45.4 | -34.4 | 0 | 0 | 0 | 113.3 | |||||
| 308 | P | 58.3 | Low | 39.1 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | cis | -139.3 | 179.5 | 0.1 | 43.3 | -24.9 | 0 | 0 | 0 | 117.9 | ||||
| 309 | G | 29.4 | Very low | 38.2 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -177.3 | 101.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 310 | S | 36 | Very low | 38.2 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | 35.7 | 119.9 | 158.4 | 58.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 311 | G | 29.6 | Very low | 38.3 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -93.7 | -146.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 312 | P | 54 | Low | 38.4 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -126.5 | -147.1 | -4.5 | 45.8 | -26.9 | 0 | 0 | 0 | 109.3 | ||||
| 313 | P | 51.3 | Low | 38.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -126.7 | -164.9 | 3.2 | 43.3 | -23.7 | 0 | 0 | 0 | 116.3 | ||||
| 314 | T | 36.2 | Very low | 38.5 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -137.4 | -150 | -156.8 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 315 | P | 57.1 | Low | 38.3 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | -130.2 | -146.5 | -78.2 | 39.9 | -21.5 | 0 | 0 | 0 | 113.7 | |||||
| 316 | S | 27.9 | Very low | 38.3 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 88.6 | 157 | 168.8 | 83.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 317 | R | 31.1 | Very low | 38 | Very low | 225 Ų | 225 | 136.8 Ų | 136.8 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | cis | -158 | 131 | 12.4 | -156.2 | 164.5 | 178 | -161.8 | -0.6 | 107.8 | ||||
| 318 | D | 30.7 | Very low | 37 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | cis | 98.4 | 131.5 | 47.6 | -169.1 | 12.7 | 0 | 0 | 0 | 114.8 | ||||
| 319 | S | 33.4 | Very low | 36.5 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | 68.8 | 96.2 | 156.8 | -74.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 320 | A | 31.1 | Very low | 36.6 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | 56.5 | 136.6 | 112.2 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 321 | R | 33.2 | Very low | 37.3 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -153.1 | 175.7 | 138.7 | -147.3 | 137.4 | -64.7 | -132.3 | 4.2 | 114.8 | ||||
| 322 | R | 31.2 | Very low | 37.4 | Very low | 227 Ų | 227 | 135.5 Ų | 135.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -109.6 | 148.5 | -153.1 | -48.5 | 167.8 | -176.5 | -165.4 | -1.8 | 114.1 | ||||
| 323 | A | 32.5 | Very low | 36.3 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 54.3 | 154.7 | 130.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 324 | P | 47.3 | Very low | 35.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -117.5 | 173.8 | -161.6 | 43 | -32.1 | 0 | 0 | 0 | 116.5 | ||||
| 325 | R | 34.2 | Very low | 35.3 | Very low | 247 Ų | 247 | 139.1 Ų | 139.1 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -152.1 | 151.9 | 164 | -71.6 | -169 | 173.3 | -159.5 | -4.8 | 108.1 | ||||
| 326 | K | 34.7 | Very low | 34.9 | Very low | 206 Ų | 206 | 139.2 Ų | 139.2 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | cis | -168.8 | 135.3 | -11.7 | 164 | -170.7 | 174.7 | -170.9 | 0 | 107.4 | ||||
| 327 | G | 26.6 | Very low | 34.9 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 142.3 | 116 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 328 | G | 31.6 | Very low | 34.9 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -113.3 | -153.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 329 | P | 47.5 | Very low | 34.9 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | cis | -100.4 | 178.8 | 5.1 | 40 | -34.3 | 0 | 0 | 0 | 112.9 | ||||
| 330 | G | 32.3 | Very low | 34.7 | Very low | 60 Ų | 60 | 139.8 Ų | 139.8 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | cis | 100.8 | 159.1 | 10.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 331 | P | 50.5 | Low | 34.5 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | cis | -84.4 | -151.6 | -7.5 | 38.7 | -36.2 | 0 | 0 | 0 | 111.7 | ||||
| 332 | A | 30.3 | Very low | 34.2 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | cis | -148 | 165.9 | 1.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 333 | S | 31.3 | Very low | 33.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | cis | 84.1 | 120.3 | 24.7 | -146.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 334 | A | 28.5 | Very low | 33.7 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -159.5 | 171.5 | -11.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 335 | R | 37.7 | Very low | 32.8 | Very low | 240 Ų | 240 | 131.9 Ų | 131.9 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -95.4 | -166.3 | 167.3 | -71.3 | -177.7 | 165.5 | -168.3 | -4.6 | 109.4 | ||||
| 336 | P | 49.3 | Very low | 32.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -151.1 | -165.9 | 11.5 | 40.4 | -14.4 | 0 | 0 | 0 | 118.9 | ||||
| 337 | S | 29.1 | Very low | 32.2 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | 63.5 | 121.3 | 141.3 | 63.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 338 | E | 30.9 | Very low | 32.4 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | 44.7 | 112.8 | 126.9 | -58.6 | -177.7 | 99 | 0 | 0 | 124.1 | |||||
| 339 | S | 29.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -167.1 | 132.2 | 137.4 | 58.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 340 | K | 28.9 | Very low | 31.7 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | 68.8 | 93 | 63.1 | -166.7 | 166.4 | -176.4 | 172.8 | 0 | 116.2 | |||||
| 341 | E | 27.5 | Very low | 31.6 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 67% | 0.673 | 79% | 0.791 | S | S | * | * | trans | 46.8 | 122.7 | 130.7 | -162.2 | -169.1 | 149.4 | 0 | 0 | 121.2 | ||||
| 342 | M | 26.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 139 Ų | 139 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | 147.2 | 148.4 | 127 | -171.3 | 52.7 | 75.7 | 0 | 0 | 114.3 | |||||
| 343 | T | 25.2 | Very low | 31 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | 81.4 | 134.8 | 168.4 | -28.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 344 | G | 27.6 | Very low | 31.3 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 154.3 | 27.9 | 165 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 345 | A | 29.1 | Very low | 31.6 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -96.9 | 117.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 346 | R | 26.3 | Very low | 31.5 | Very low | 230 Ų | 230 | 142.1 Ų | 142.1 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -170.1 | 134.9 | 148.5 | -110.7 | 168.8 | 171 | 162.4 | -4.3 | 108.1 | ||||
| 347 | L | 29.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | cis | 72.4 | 130.1 | 43.4 | -100.5 | 90.5 | 0 | 0 | 0 | 115.9 | ||||
| 348 | W | 31.7 | Very low | 33.2 | Very low | 232 Ų | 232 | 142.3 Ų | 142.3 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | 72.1 | 158.4 | 178.1 | -46.7 | 99.2 | 0 | 0 | 0 | 116.2 | ||||
| 349 | A | 33.6 | Very low | 33.6 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | cis | 168.5 | 164.9 | -41.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 350 | Q | 30.9 | Very low | 33.8 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 70.5 | 165.1 | 170.6 | -61.7 | -175.5 | 127.3 | 0 | 0 | 117.3 | ||||
| 351 | D | 29.5 | Very low | 34.6 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | cis | -174.3 | 152.1 | -34.4 | -174.7 | 50.9 | 0 | 0 | 0 | 110 | ||||
| 352 | G | 32.6 | Very low | 35.1 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 62.3 | 167.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 353 | S | 34.8 | Very low | 35.6 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | -155 | 160.3 | -31.2 | 81.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 354 | E | 38.2 | Very low | 36 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 40.3 | 127.5 | 145.5 | -60.5 | 149.3 | 145.4 | 0 | 0 | 123.6 | ||||
| 355 | D | 34 | Very low | 36.5 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | -166.7 | 157.4 | 125.4 | -147.5 | -129.5 | 0 | 0 | 0 | 112.9 | |||||
| 356 | E | 36.4 | Very low | 37.5 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -167.9 | 169.3 | -178.1 | -118 | -109.3 | 112.6 | 0 | 0 | 108.6 | ||||
| 357 | P | 63.6 | Low | 37.7 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 56% | 0.558 | 76% | 0.758 | S | S | * | * | cis | -124.4 | -162.3 | -7.5 | 44.1 | -27.2 | 0 | 0 | 0 | 111.8 | ||||
| 358 | P | 51.4 | Low | 37.8 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | -153.6 | -173.3 | 78.1 | 41.1 | -21.3 | 0 | 0 | 0 | 115.8 | |||||
| 359 | K | 39.1 | Very low | 37.7 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | cis | -178 | 148.9 | -48.4 | -162 | -171.2 | 176.5 | -73.1 | 0 | 108.4 | ||||
| 360 | D | 32.7 | Very low | 37.5 | Very low | 119 Ų | 119 | 131 Ų | 131 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | 79.7 | 158.5 | 159.2 | -66.6 | -28.3 | 0 | 0 | 0 | 123.8 | ||||
| 361 | S | 46.4 | Very low | 37.5 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 89.1 | 81.7 | 166 | -62.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 362 | D | 37 | Very low | 37.4 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 26.2 | 147 | 104.8 | -39.8 | -60.7 | 0 | 0 | 0 | 119.3 | |||||
| 363 | G | 37.2 | Very low | 37.2 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | cis | 116.8 | 92.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 364 | E | 33.4 | Very low | 36.8 | Very low | 206 Ų | 206 | 135 Ų | 135 | 96% | 0.963 | 78% | 0.777 | S | S | * | * | trans | -153.7 | 158.2 | 176.2 | -118.8 | 173.6 | 160.8 | 0 | 0 | 113.9 | ||||
| 365 | D | 37.9 | Very low | 36.2 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -106.5 | 174.8 | -178.7 | -171.5 | 24.8 | 0 | 0 | 0 | 110.6 | ||||
| 366 | P | 50.5 | Low | 36.5 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -144.1 | 125.5 | 127.8 | 34.4 | -18.7 | 0 | 0 | 0 | 116 | |||||
| 367 | E | 31.1 | Very low | 36.3 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | -88.4 | 175.7 | 166.5 | -149.7 | -148.7 | 94.3 | 0 | 0 | 112.9 | ||||
| 368 | T | 32.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | 92.9 | 105.6 | 162.4 | 71.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 369 | A | 29.5 | Very low | 34 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | 74.7 | 110 | 119.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 370 | A | 29.5 | Very low | 33.4 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | 91.1 | 167.4 | 122.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 371 | V | 30.7 | Very low | 33.2 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | 78.3 | 122.2 | -169.7 | -172.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 372 | G | 27.5 | Very low | 33.1 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | cis | 167.9 | 155 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 373 | C | 27.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 92% | 0.919 | 80% | 0.803 | S | S | * | * | trans | 57.9 | 142.8 | 168.5 | -56.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 374 | R | 27.7 | Very low | 32.2 | Very low | 239 Ų | 239 | 125.7 Ų | 125.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | cis | -165.7 | 154.4 | 23.4 | -153.5 | 176 | -163.6 | -107.4 | 5.9 | 109.2 | ||||
| 375 | G | 25.6 | Very low | 32 | Very low | 59 Ų | 59 | 119.9 Ų | 119.9 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -75.6 | -178 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 376 | P | 39.3 | Very low | 31.7 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | -146.1 | 170.6 | 53.9 | 43 | -25.7 | 0 | 0 | 0 | 118.3 | |||||
| 377 | T | 31.6 | Very low | 30.7 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -83.7 | 158.9 | 157.6 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 378 | P | 40 | Very low | 31.1 | Very low | 135 Ų | 135 | 113.5 Ų | 113.5 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | -140.7 | -175.7 | 70 | 36.7 | -16.9 | 0 | 0 | 0 | 113.1 | |||||
| 379 | G | 26.9 | Very low | 31 | Very low | 70 Ų | 70 | 115.9 Ų | 115.9 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 177.1 | 123.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 380 | Q | 27.1 | Very low | 31.2 | Very low | 194 Ų | 194 | 114.3 Ų | 114.3 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | 64.3 | 90.4 | 88.5 | -163.8 | 169.2 | 41.4 | 0 | 0 | 117.2 | |||||
| 381 | A | 28.7 | Very low | 31.5 | Very low | 91 Ų | 91 | 117.9 Ų | 117.9 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | 68.8 | 174.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 382 | P | 44.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 114 Ų | 114 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -135 | 163.9 | -1.2 | 42.4 | -25.8 | 0 | 0 | 0 | 118.3 | ||||
| 383 | A | 27.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | 40.4 | 136.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 384 | G | 27.7 | Very low | 31.8 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 136 | 115.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 385 | G | 28 | Very low | 32.4 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | cis | 132.6 | 77.7 | -15.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 386 | A | 31.2 | Very low | 32.7 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -165.4 | 151.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 387 | G | 31.1 | Very low | 32.5 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 87.8 | 105.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 388 | A | 39.1 | Very low | 32.6 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | 69.1 | 119.9 | 29.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 389 | E | 30.1 | Very low | 32.4 | Very low | 162 Ų | 162 | 118.8 Ų | 118.8 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | cis | -139.5 | 158.7 | 9.3 | -68 | -164.8 | 74.6 | 0 | 0 | 115 | K391 | E389-K391 IonicContact OE1-NZ 3.58Å; E389-K391 PolarHBondContact OE1-NZ 3.26Å | ||
| 390 | G | 32.4 | Very low | 32.8 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | trans | -85.2 | -158.1 | 155 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 391 | K | 35.8 | Very low | 33.4 | Very low | 171 Ų | 171 | 118.8 Ų | 118.8 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | cis | -171.8 | 143.5 | 37 | 3 | 176.2 | -171.4 | -45.8 | 0 | 110.1 | E389 | E389-K391 IonicContact OE1-NZ 3.58Å; E389-K391 PolarHBondContact OE1-NZ 3.26Å | ||
| 392 | G | 29.7 | Very low | 33.5 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 83.7 | 146.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 393 | L | 31.1 | Very low | 33 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | cis | -139.7 | 173 | 9.3 | -72.6 | 169 | 0 | 0 | 0 | 112.8 | ||||
| 394 | F | 32 | Very low | 33.6 | Very low | 197 Ų | 197 | 121.4 Ų | 121.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -75.7 | -172.4 | 177.2 | -63.6 | -84.9 | 0 | 0 | 0 | 114.2 | ||||
| 395 | P | 41.1 | Very low | 34 | Very low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | cis | -130.7 | -175.2 | -32 | 25.4 | -3.3 | 0 | 0 | 0 | 113.3 | ||||
| 396 | G | 31 | Very low | 34.6 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 166 | 120.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 397 | S | 35.8 | Very low | 35 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -113.1 | 133.3 | -178.7 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 398 | T | 33.9 | Very low | 35 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -143.5 | 133.2 | 160.9 | 38.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 399 | L | 35.4 | Very low | 35.3 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -115.6 | 128.9 | 172 | -72.3 | 173.3 | 0 | 0 | 0 | 109.6 | L401 | L399-L401 PolarHBondContact O-N 2.86Š| ||
| 400 | P | 35 | Very low | 35.8 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | trans | -88.7 | 80.9 | 168.5 | 34.1 | -31.3 | 0 | 0 | 0 | 110.7 | G402 | P400-G402 VanDerWaalsContact C-N 3.34Å; P400-G402 PolarHBondContact O-N 3.08Å | ||
| 401 | L | 39.4 | Very low | 35.8 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 71% | 0.707 | 79% | 0.785 | S | S | * | * | trans | -75 | 85.1 | 169.5 | -88 | 168.3 | 0 | 0 | 0 | 110.5 | L399 F403 | L399-L401 PolarHBondContact O-N 2.86Å; L401-F403 PolarHBondContact O-N 2.9Å; L401-F403 VanDerWaalsContact O-N 3.13Å | ||
| 402 | G | 31.8 | Very low | 35.9 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -74.4 | 93.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | P400 | P400-G402 VanDerWaalsContact C-N 3.34Å; P400-G402 PolarHBondContact O-N 3.08Å | ||
| 403 | F | 34.1 | Very low | 36.2 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | -83.3 | 129.7 | 168.2 | -83 | -89 | 0 | 0 | 0 | 111.3 | L401 Y405 | L401-F403 PolarHBondContact O-N 2.9Å; L401-F403 VanDerWaalsContact O-N 3.13Å; F403-Y405 PolarHBondContact O-N 3.05Å | ||
| 404 | P | 40.9 | Very low | 36.3 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -79.9 | 98.8 | 173.5 | 31.4 | -32.3 | 0 | 0 | 0 | 110.3 | ||||
| 405 | Y | 35.2 | Very low | 36.6 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -94.2 | 121.4 | -179.9 | -148.7 | -92.8 | 0 | 0 | 0 | 112.7 | F403 | F403-Y405 PolarHBondContact O-N 3.05Š| ||
| 406 | A | 41.6 | Very low | 36.8 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | trans | 33.4 | 107.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | S408 | A406-S408 PolarHBondContact O-N 2.91Å; A406-S408 VanDerWaalsContact O-N 3.09Å | ||
| 407 | V | 38.3 | Very low | 36.9 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -62.1 | 108.6 | 152.9 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 408 | S | 31.8 | Very low | 36.7 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -87.3 | 123.4 | 169.9 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | A406 Y410 | A406-S408 PolarHBondContact O-N 2.91Å; A406-S408 VanDerWaalsContact O-N 3.09Å; S408-Y410 PolarHBondContact O-N 3.06Å | ||
| 409 | P | 44.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -82.5 | 34.3 | -168.6 | 35 | -38.2 | 0 | 0 | 0 | 113.8 | ||
| 410 | Y | 41.6 | Very low | 37.4 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 59% | 0.592 | 80% | 0.801 | S | S | * | * | trans | -132.3 | 136.7 | -180 | -71.2 | -86.2 | 0 | 0 | 0 | 110.7 | S408 | S408-Y410 PolarHBondContact O-N 3.06Š| ||
| 411 | F | 32.1 | Very low | 37.7 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | 76 | 80 | 179.6 | -47 | -70.1 | 0 | 0 | 0 | 116.9 | ||||
| 412 | H | 37.5 | Very low | 37.6 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | -108.7 | 100.2 | 147.9 | -71.9 | -46.9 | 0 | 0 | 0 | 109.4 | ||||
| 413 | T | 36.2 | Very low | 38.3 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -140.5 | 109.3 | 174 | -49.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 414 | G | 34.3 | Very low | 38.9 | Very low | 84 Ų | 84 | 134 Ų | 134 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 128.2 | 72.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 415 | A | 36.8 | Very low | 38.8 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -140.8 | 129.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 416 | V | 46.3 | Very low | 39 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -115.4 | 133.6 | -179.3 | -72.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 417 | G | 33.5 | Very low | 38.8 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | 109.2 | 132.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 418 | G | 31.8 | Very low | 39.3 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 132.5 | 105.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 419 | L | 45.3 | Very low | 40.5 | Very low | 169 Ų | 169 | 126.4 Ų | 126.4 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -73.6 | 162.6 | -179.8 | -66 | 166.4 | 0 | 0 | 0 | 111.9 | ||||
| 420 | S | 38.8 | Very low | 41.4 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 57.1 | 99.6 | 170.4 | 54.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 421 | M | 39.6 | Very low | 43.4 | Very low | 187 Ų | 187 | 123 Ų | 123 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -112.2 | 151 | 132.5 | -87.1 | -73.5 | 96.8 | 0 | 0 | 109.1 | ||||
| 422 | D | 37.6 | Very low | 46.1 | Very low | 157 Ų | 157 | 114.2 Ų | 114.2 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -73.1 | 167.4 | 179.3 | -168.7 | -153 | 0 | 0 | 0 | 111.3 | E424 | D422-E424 PolarHBondContact O-N 3.16Š| ||
| 423 | G | 46.6 | Very low | 48.6 | Very low | 75 Ų | 75 | 108.1 Ų | 108.1 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | -73.9 | 53.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E425 | G423-E425 PolarHBondContact O-N 3.05Š| ||
| 424 | E | 47.4 | Very low | 51.3 | Low | 167 Ų | 167 | 108.8 Ų | 108.8 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | trans | -77 | 103.5 | 161.1 | -163.2 | -163.5 | 132.7 | 0 | 0 | 109.1 | D422 A426 | D422-E424 PolarHBondContact O-N 3.16Å; E424-A426 PolarHBondContact O-N 3.23Å | ||
| 425 | E | 37.7 | Very low | 54.2 | Low | 161 Ų | 161 | 105.8 Ų | 105.8 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | trans | -68.1 | 97.9 | 166.2 | -177.9 | 163.5 | 100.8 | 0 | 0 | 108.7 | G423 P427 | G423-E425 PolarHBondContact O-N 3.05Å; E425-P427 WeakPolarHBondContact O-CA 3.4Å | ||
| 426 | A | 39.3 | Very low | 57 | Low | 78 Ų | 78 | 104.4 Ų | 104.4 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 118.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | E424 A428 | E424-A426 PolarHBondContact O-N 3.23Å; A426-A428 PolarHBondContact O-N 2.91Å; A426-A428 VanDerWaalsContact O-N 3.12Å |
| 427 | P | 37.4 | Very low | 59.4 | Low | 92 Ų | 92 | 99 Ų | 99 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 120.1 | -148.9 | 13.9 | -29.9 | 0 | 0 | 0 | 111.4 | E425 | E425-P427 WeakPolarHBondContact O-CA 3.4Š|
| 428 | A | 48.8 | Very low | 62.5 | Low | 61 Ų | 61 | 99.1 Ų | 99.1 | 50% | 0.504 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -46.9 | 129.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | A426 E430 | A426-A428 PolarHBondContact O-N 2.91Å; A426-A428 VanDerWaalsContact O-N 3.12Å; A428-E430 WeakPolarHBondContact O-CA 2.96Å; A428-E430 PolarHBondContact O-N 3.49Å |
| 429 | P | 56.8 | Low | 65.5 | Low | 107 Ų | 107 | 98.7 Ų | 98.7 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | trans | -54.8 | 106.3 | -158.2 | 21.4 | -34.3 | 0 | 0 | 0 | 109.8 | D431 | P429-D431 PolarHBondContact O-N 2.89Å; P429-D431 VanDerWaalsContact O-N 3.12Å | ||
| 430 | E | 64 | Low | 68 | Low | 101 Ų | 101 | 90.7 Ų | 90.7 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | trans | -48.8 | 121.2 | -165.6 | -67.3 | 170.7 | 179.9 | 0 | 0 | 110 | A428 V432 W435 | A428-E430 WeakPolarHBondContact O-CA 2.96Å; A428-E430 PolarHBondContact O-N 3.49Å; E430-V432 PolarHBondContact O-N 3.42Å; E430-W435 PolarHBondContact OE2-NE1 3.44Å | ||
| 431 | D | 83.6 | Confident | 70.7 | Confident | 89 Ų | 89 | 86 Ų | 86 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | trans | -56.1 | 107.3 | 178.6 | -64.5 | -65.3 | 0 | 0 | 0 | 107.6 | P429 T433 K434 | P429-D431 PolarHBondContact O-N 2.89Å; P429-D431 VanDerWaalsContact O-N 3.12Å; D431-T433 PolarHBondContact O-N 2.93Å; D431-K434 HydrophobicContact CB-CD 3.93Å; D431-K434 HydrophobicContact CB-CG 4.08Å; D431-K434 WeakPolarHBondContact O-CB 3.34Å; D431-K434 PolarHBondContact O-N 3.47Å; D431-K434 VanDerWaalsContact OD2-CE 3.31Å; D431-K434 WeakPolarHBondContact OD2-CE 3.19Å; D431-K434 IonicContact OD2-NZ 2.68Å; D431-K434 PolarHBondContact OD2-NZ 2.88Å | ||
| 432 | V | 88.4 | Confident | 73.4 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.024 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -56 | -29.6 | -171 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | E430 K434 W435 G464 L467 P468 R496 L497 | E430-V432 PolarHBondContact O-N 3.42Å; V432-K434 PolarHBondContact O-N 3.32Å; V432-W435 HydrophobicContact CG1-CD2 4.33Å; V432-W435 HydrophobicContact CG1-CE3 3.84Å; V432-W435 HydrophobicContact CG1-CZ3 4.17Å; V432-W435 WeakPolarHBondContact O-CB 3.36Å; V432-W435 PolarHBondContact O-N 3.31Å; V432-W435 VanDerWaalsContact O-N 3.16Å; V432-G464 CarbonylContact C-O 3.56Å; V432-G464 CarbonylContact O-C 3.35Å; V432-G464 WeakPolarHBondContact O-CA 3.25Å; V432-L467 HydrophobicContact CG1-CD2 4.15Å; V432-P468 HydrophobicContact CG1-CG 4.24Å; V432-R496 HydrophobicContact CG2-CB 3.67Å; V432-L497 HydrophobicContact CB-CD2 3.83Å; V432-L497 HydrophobicContact CB-CG 4.48Å; V432-L497 HydrophobicContact CG1-CD2 4.44Å; V432-L497 HydrophobicContact CG2-CD2 4.06Å; V432-L497 HydrophobicContact CG2-CG 4.31Å |
| 433 | T | 89.7 | Confident | 76.2 | Confident | 72 Ų | 72 | 74.8 Ų | 74.8 | 44% | 0.442 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -58.8 | -20.5 | 173.6 | 50.8 | 0 | 0 | 0 | 0 | 115.1 | D431 G464 E465 | D431-T433 PolarHBondContact O-N 2.93Å; T433-G464 WeakPolarHBondContact CA-O 3.49Å; T433-E465 WeakPolarHBondContact O-CG 3.46Å |
| 434 | K | 92.9 | Very high | 78.5 | Confident | 153 Ų | 153 | 71.2 Ų | 71.2 | 67% | 0.665 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -88.9 | -8.9 | 178.6 | -62.9 | 175.5 | -177 | 159.8 | 0 | 113.7 | D431 V432 | D431-K434 HydrophobicContact CB-CD 3.93Å; D431-K434 HydrophobicContact CB-CG 4.08Å; D431-K434 WeakPolarHBondContact O-CB 3.34Å; D431-K434 PolarHBondContact O-N 3.47Å; D431-K434 VanDerWaalsContact OD2-CE 3.31Å; D431-K434 WeakPolarHBondContact OD2-CE 3.19Å; D431-K434 IonicContact OD2-NZ 2.68Å; D431-K434 PolarHBondContact OD2-NZ 2.88Å; V432-K434 PolarHBondContact O-N 3.32Å |
| 435 | W | 95.4 | Very high | 80.9 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 8% | 0.076 | 38% | 0.384 | C | S | . | . | trans | -68.8 | 135.9 | -177.3 | -73.9 | -8.8 | 0 | 0 | 0 | 112.1 | E430 V432 D439 V440 F443 G464 L467 | E430-W435 PolarHBondContact OE2-NE1 3.44Å; V432-W435 HydrophobicContact CG1-CD2 4.33Å; V432-W435 HydrophobicContact CG1-CE3 3.84Å; V432-W435 HydrophobicContact CG1-CZ3 4.17Å; V432-W435 WeakPolarHBondContact O-CB 3.36Å; V432-W435 PolarHBondContact O-N 3.31Å; V432-W435 VanDerWaalsContact O-N 3.16Å; W435-D439 HydrophobicContact CB-CB 3.91Å; W435-D439 HydrophobicContact CG-CB 4.06Å; W435-V440 HydrophobicContact CB-CG2 4.19Å; W435-V440 HydrophobicContact CE3-CG2 4.26Å; W435-F443 HydrophobicContact CH2-CB 3.92Å; W435-F443 HydrophobicContact CH2-CD1 4.11Å; W435-F443 AromaticContact CH2-CD2 3.76Å; W435-F443 HydrophobicContact CH2-CD2 3.76Å; W435-F443 HydrophobicContact CH2-CE2 4.29Å; W435-F443 AromaticContact CH2-CG 3.65Å; W435-F443 HydrophobicContact CH2-CG 3.65Å; W435-F443 HydrophobicContact CZ3-CB 3.86Å; W435-F443 AromaticContact CZ3-CD1 3.61Å; W435-F443 HydrophobicContact CZ3-CD1 3.61Å; W435-F443 HydrophobicContact CZ3-CD2 4.14Å; W435-F443 HydrophobicContact CZ3-CE1 4.14Å; W435-F443 AromaticContact CZ3-CG 3.59Å; W435-F443 HydrophobicContact CZ3-CG 3.59Å; W435-G464 WeakPolarHBondContact O-CA 3.42Å; W435-G464 PolarHBondContact O-N 2.88Å; W435-L467 HydrophobicContact CE3-CD2 3.89Å; W435-L467 HydrophobicContact CZ3-CD2 3.85Å | ||
| 436 | T | 96.4 | Very high | 83.6 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | trans | -79.2 | 169.3 | 169.8 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | D438 D439 V440 | T436-D438 PolarHBondContact O-N 2.91Å; T436-D438 PolarHBondContact OG1-N 3.33Å; T436-D439 VanDerWaalsContact CB-OD2 3.31Å; T436-D439 WeakPolarHBondContact CB-OD2 3.19Å; T436-D439 WeakPolarHBondContact CG2-OD2 3.48Å; T436-D439 PolarHBondContact N-OD2 3.35Å; T436-D439 PolarHBondContact O-N 2.83Å; T436-D439 VanDerWaalsContact OG1-CG 3.3Å; T436-D439 PolarHBondContact OG1-N 3.36Å; T436-D439 PolarHBondContact OG1-OD2 2.92Å; T436-V440 WeakPolarHBondContact O-CG2 3.31Å; T436-V440 PolarHBondContact O-N 3.28Å | ||
| 437 | V | 97.1 | Very high | 86.2 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.1 | -34.1 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | C441 G461 I462 D463 | V437-C441 WeakPolarHBondContact O-CB 3.4Å; V437-C441 PolarHBondContact O-N 3.09Å; V437-C441 PolarHBondContact O-SG 3.45Å; V437-G461 WeakPolarHBondContact CG2-O 3.43Å; V437-I462 WeakPolarHBondContact CA-O 3.03Å; V437-D463 HydrophobicContact CG2-CB 4.14Å |
| 438 | D | 97.5 | Very high | 88.9 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 176 | -85.5 | -82.6 | 0 | 0 | 0 | 112.6 | T436 C441 S442 R458 | T436-D438 PolarHBondContact O-N 2.91Å; T436-D438 PolarHBondContact OG1-N 3.33Å; D438-C441 PolarHBondContact O-N 2.99Å; D438-S442 WeakPolarHBondContact O-CB 3.37Å; D438-S442 PolarHBondContact O-N 3.02Å; D438-R458 IonicContact OD1-CZ 2.73Å; D438-R458 IonicContact OD1-NH1 3.34Å; D438-R458 PolarHBondContact OD1-NH1 2.92Å; D438-R458 IonicContact OD1-NH2 2.78Å; D438-R458 PolarHBondContact OD1-NH2 3.46Å; D438-R458 IonicContact OD2-NH1 3.69Å; D438-R458 PolarHBondContact OD2-NH1 3.4Å |
| 439 | D | 96.2 | Very high | 90.9 | Very high | 73 Ų | 73 | 58 Ų | 58 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 175.3 | -55.2 | -54.9 | 0 | 0 | 0 | 111.3 | W435 T436 C441 S442 F443 | W435-D439 HydrophobicContact CB-CB 3.91Å; W435-D439 HydrophobicContact CG-CB 4.06Å; T436-D439 VanDerWaalsContact CB-OD2 3.31Å; T436-D439 WeakPolarHBondContact CB-OD2 3.19Å; T436-D439 WeakPolarHBondContact CG2-OD2 3.48Å; T436-D439 PolarHBondContact N-OD2 3.35Å; T436-D439 PolarHBondContact O-N 2.83Å; T436-D439 VanDerWaalsContact OG1-CG 3.3Å; T436-D439 PolarHBondContact OG1-N 3.36Å; T436-D439 PolarHBondContact OG1-OD2 2.92Å; D439-C441 VanDerWaalsContact C-N 3.34Å; D439-C441 PolarHBondContact O-N 2.85Å; D439-S442 WeakPolarHBondContact O-CB 3.47Å; D439-S442 PolarHBondContact O-N 3.01Å; D439-F443 WeakPolarHBondContact O-CB 3.27Å; D439-F443 PolarHBondContact O-N 3.02Å |
| 440 | V | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 172.2 | 174.1 | 0 | 0 | 0 | 0 | 111 | W435 T436 F443 V444 F457 I462 L467 | W435-V440 HydrophobicContact CB-CG2 4.19Å; W435-V440 HydrophobicContact CE3-CG2 4.26Å; T436-V440 WeakPolarHBondContact O-CG2 3.31Å; T436-V440 PolarHBondContact O-N 3.28Å; V440-F443 PolarHBondContact O-N 3.4Å; V440-V444 HydrophobicContact CG1-CG2 4.45Å; V440-V444 WeakPolarHBondContact O-CB 3.33Å; V440-V444 WeakPolarHBondContact O-CG2 3.5Å; V440-V444 PolarHBondContact O-N 3.29Å; V440-F457 HydrophobicContact CG1-CD1 3.75Å; V440-F457 HydrophobicContact CG1-CE1 4.47Å; V440-I462 WeakPolarHBondContact CB-O 3.49Å; V440-I462 HydrophobicContact CG1-CB 4.44Å; V440-I462 HydrophobicContact CG1-CG2 4.11Å; V440-L467 HydrophobicContact CG1-CD1 4.3Å; V440-L467 HydrophobicContact CG1-CD2 4.12Å; V440-L467 HydrophobicContact CG2-CB 4.43Å; V440-L467 HydrophobicContact CG2-CD2 3.99Å |
| 441 | C | 96.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.054 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 175.3 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | V437 D438 D439 G445 T454 | V437-C441 WeakPolarHBondContact O-CB 3.4Å; V437-C441 PolarHBondContact O-N 3.09Å; V437-C441 PolarHBondContact O-SG 3.45Å; D438-C441 PolarHBondContact O-N 2.99Å; D439-C441 VanDerWaalsContact C-N 3.34Å; D439-C441 PolarHBondContact O-N 2.85Å; C441-G445 PolarHBondContact O-N 3.21Å; C441-T454 WeakPolarHBondContact O-CG2 3.29Å; C441-T454 PolarHBondContact SG-O 3.33Å |
| 442 | S | 96.3 | Very high | 94.6 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.4 | -47.4 | 175.5 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | D438 D439 G445 G446 | D438-S442 WeakPolarHBondContact O-CB 3.37Å; D438-S442 PolarHBondContact O-N 3.02Å; D439-S442 WeakPolarHBondContact O-CB 3.47Å; D439-S442 PolarHBondContact O-N 3.01Å; S442-G445 PolarHBondContact O-N 2.92Å; S442-G446 PolarHBondContact O-N 3.33Å |
| 443 | F | 95.4 | Very high | 94.9 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 175.5 | 163.9 | -111.6 | 0 | 0 | 0 | 112.5 | W435 D439 V440 G445 G446 L447 L467 Q492 V493 | W435-F443 HydrophobicContact CH2-CB 3.92Å; W435-F443 HydrophobicContact CH2-CD1 4.11Å; W435-F443 AromaticContact CH2-CD2 3.76Å; W435-F443 HydrophobicContact CH2-CD2 3.76Å; W435-F443 HydrophobicContact CH2-CE2 4.29Å; W435-F443 AromaticContact CH2-CG 3.65Å; W435-F443 HydrophobicContact CH2-CG 3.65Å; W435-F443 HydrophobicContact CZ3-CB 3.86Å; W435-F443 AromaticContact CZ3-CD1 3.61Å; W435-F443 HydrophobicContact CZ3-CD1 3.61Å; W435-F443 HydrophobicContact CZ3-CD2 4.14Å; W435-F443 HydrophobicContact CZ3-CE1 4.14Å; W435-F443 AromaticContact CZ3-CG 3.59Å; W435-F443 HydrophobicContact CZ3-CG 3.59Å; D439-F443 WeakPolarHBondContact O-CB 3.27Å; D439-F443 PolarHBondContact O-N 3.02Å; V440-F443 PolarHBondContact O-N 3.4Å; F443-G445 VanDerWaalsContact C-N 3.29Å; F443-G445 PolarHBondContact O-N 3.31Å; F443-G446 PolarHBondContact O-N 2.87Å; F443-L447 HydrophobicContact CE1-CD1 4.38Å; F443-L447 HydrophobicContact CE2-CD1 4.25Å; F443-L447 HydrophobicContact CE2-CD2 4.44Å; F443-L447 HydrophobicContact CE2-CG 4.48Å; F443-L447 HydrophobicContact CZ-CD1 4.01Å; F443-L447 PolarHBondContact O-N 3.48Å; F443-L467 HydrophobicContact CD1-CD2 4.17Å; F443-L467 HydrophobicContact CE1-CD2 4.17Å; F443-Q492 HydrophobicContact CE2-CB 4.02Å; F443-Q492 HydrophobicContact CZ-CB 3.68Å; F443-V493 HydrophobicContact CE1-CG2 3.74Å; F443-V493 HydrophobicContact CZ-CG2 4.07Å |
| 444 | V | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | V440 L447 C450 T454 F457 I489 | V440-V444 HydrophobicContact CG1-CG2 4.45Å; V440-V444 WeakPolarHBondContact O-CB 3.33Å; V440-V444 WeakPolarHBondContact O-CG2 3.5Å; V440-V444 PolarHBondContact O-N 3.29Å; V444-L447 PolarHBondContact O-N 3.38Å; V444-C450 HydrophobicContact CG1-CB 4.16Å; V444-C450 WeakPolarHBondContact O-CB 3.39Å; V444-T454 HydrophobicContact CB-CG2 4.19Å; V444-T454 HydrophobicContact CG1-CG2 3.99Å; V444-F457 HydrophobicContact CG1-CD2 4.26Å; V444-F457 HydrophobicContact CG1-CE2 4.32Å; V444-F457 HydrophobicContact CG2-CD1 4.11Å; V444-F457 HydrophobicContact CG2-CD2 4.42Å; V444-F457 HydrophobicContact CG2-CE1 4.08Å; V444-F457 HydrophobicContact CG2-CE2 4.4Å; V444-F457 HydrophobicContact CG2-CG 4.29Å; V444-F457 HydrophobicContact CG2-CZ 4.24Å; V444-I489 HydrophobicContact CG1-CD1 4.08Å; V444-I489 HydrophobicContact CG2-CD1 4.38Å; V444-I489 HydrophobicContact CG2-CG1 4.5Å |
| 445 | G | 96.2 | Very high | 95.3 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C441 S442 F443 L447 T454 | C441-G445 PolarHBondContact O-N 3.21Å; S442-G445 PolarHBondContact O-N 2.92Å; F443-G445 VanDerWaalsContact C-N 3.29Å; F443-G445 PolarHBondContact O-N 3.31Å; G445-L447 PolarHBondContact O-N 3.44Å; G445-T454 VanDerWaalsContact CA-CG2 3.41Å; G445-T454 VanDerWaalsContact N-CG2 3.29Å |
| 446 | G | 94.6 | Very high | 95.4 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -10.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | S442 F443 | S442-G446 PolarHBondContact O-N 3.33Å; F443-G446 PolarHBondContact O-N 2.87Å |
| 447 | L | 95.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 48 Ų | 48 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -86.4 | 127.6 | 177.6 | -65.2 | -178.6 | 0 | 0 | 0 | 111.6 | F443 V444 G445 G449 C450 I489 Q492 | F443-L447 HydrophobicContact CE1-CD1 4.38Å; F443-L447 HydrophobicContact CE2-CD1 4.25Å; F443-L447 HydrophobicContact CE2-CD2 4.44Å; F443-L447 HydrophobicContact CE2-CG 4.48Å; F443-L447 HydrophobicContact CZ-CD1 4.01Å; F443-L447 PolarHBondContact O-N 3.48Å; V444-L447 PolarHBondContact O-N 3.38Å; G445-L447 PolarHBondContact O-N 3.44Å; L447-G449 PolarHBondContact O-N 3.21Å; L447-G449 VanDerWaalsContact O-N 3.15Å; L447-C450 HydrophobicContact CB-CB 3.77Å; L447-C450 WeakPolarHBondContact O-CB 3.46Å; L447-C450 PolarHBondContact O-N 3.38Å; L447-I489 HydrophobicContact CD1-CG1 3.9Å; L447-Q492 HydrophobicContact CD1-CB 4.27Å; L447-Q492 HydrophobicContact CD1-CG 4.24Å; L447-Q492 HydrophobicContact CD2-CB 4.39Å; L447-Q492 HydrophobicContact CD2-CG 3.82Å |
| 448 | S | 93.6 | Very high | 95.3 | Very high | 95 Ų | 95 | 52 Ų | 52 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 116.8 | -174.1 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | C450 K488 | S448-C450 VanDerWaalsContact C-N 3.34Å; S448-K488 PolarHBondContact O-NZ 3.09Å |
| 449 | G | 91.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 17.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L447 | L447-G449 PolarHBondContact O-N 3.21Å; L447-G449 VanDerWaalsContact O-N 3.15Å |
| 450 | C | 94.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -12.2 | 171.9 | -60 | 0 | 0 | 0 | 0 | 113.4 | V444 L447 S448 E452 Y453 I489 | V444-C450 HydrophobicContact CG1-CB 4.16Å; V444-C450 WeakPolarHBondContact O-CB 3.39Å; L447-C450 HydrophobicContact CB-CB 3.77Å; L447-C450 WeakPolarHBondContact O-CB 3.46Å; L447-C450 PolarHBondContact O-N 3.38Å; S448-C450 VanDerWaalsContact C-N 3.34Å; C450-E452 PolarHBondContact O-N 3.42Å; C450-E452 VanDerWaalsContact O-N 3.12Å; C450-Y453 WeakPolarHBondContact O-CD2 3.45Å; C450-Y453 PolarHBondContact O-N 2.91Å; C450-I489 HydrophobicContact CB-CD1 4.41Å |
| 451 | G | 93 | Very high | 95.2 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -53.7 | -33.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y453 T454 | G451-Y453 PolarHBondContact O-N 3.02Å; G451-T454 WeakPolarHBondContact O-CG2 3.31Å; G451-T454 PolarHBondContact O-N 3.24Å; G451-T454 PolarHBondContact O-OG1 2.9Å |
| 452 | E | 94.2 | Very high | 95.2 | Very high | 120 Ų | 120 | 56.5 Ų | 56.5 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -60.2 | -23.2 | 176.4 | 66.5 | -171.8 | -151.1 | 0 | 0 | 113.6 | C450 K482 | C450-E452 PolarHBondContact O-N 3.42Å; C450-E452 VanDerWaalsContact O-N 3.12Å; E452-K482 IonicContact OE1-NZ 2.75Å; E452-K482 PolarHBondContact OE1-NZ 3.41Å; E452-K482 IonicContact OE2-NZ 3.11Å |
| 453 | Y | 94.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -94.7 | -8.6 | -179.7 | -53.7 | -76.2 | 0 | 0 | 0 | 114.2 | C450 G451 R455 V456 F457 L481 K482 P485 | C450-Y453 WeakPolarHBondContact O-CD2 3.45Å; C450-Y453 PolarHBondContact O-N 2.91Å; G451-Y453 PolarHBondContact O-N 3.02Å; Y453-R455 PolarHBondContact O-N 3.11Å; Y453-V456 WeakPolarHBondContact O-CA 3.48Å; Y453-V456 WeakPolarHBondContact O-CB 3.48Å; Y453-V456 PolarHBondContact O-N 2.71Å; Y453-F457 WeakPolarHBondContact O-CD2 3.43Å; Y453-F457 PolarHBondContact O-N 2.7Å; Y453-F457 VanDerWaalsContact O-N 3.16Å; Y453-L481 HydrophobicContact CD1-CB 4.42Å; Y453-L481 HydrophobicContact CD1-CD1 3.53Å; Y453-L481 HydrophobicContact CD1-CG 3.51Å; Y453-L481 HydrophobicContact CD2-CG 4.12Å; Y453-L481 HydrophobicContact CE1-CB 4.27Å; Y453-L481 HydrophobicContact CE1-CD1 4.17Å; Y453-L481 HydrophobicContact CE1-CG 3.82Å; Y453-L481 HydrophobicContact CE2-CG 4.42Å; Y453-L481 HydrophobicContact CG-CD1 3.88Å; Y453-L481 HydrophobicContact CG-CD2 4.31Å; Y453-L481 HydrophobicContact CG-CG 3.68Å; Y453-K482 VanDerWaalsContact OH-CD 3.25Å; Y453-K482 WeakPolarHBondContact OH-CD 3.43Å; Y453-K482 VanDerWaalsContact OH-CE 3.31Å; Y453-K482 WeakPolarHBondContact OH-CE 3.26Å; Y453-K482 WeakPolarHBondContact OH-CG 3.38Å; Y453-K482 PolarHBondContact OH-NZ 3.46Å; Y453-P485 HydrophobicContact CD2-CB 3.98Å; Y453-P485 HydrophobicContact CD2-CG 4.42Å; Y453-P485 HydrophobicContact CE2-CB 3.55Å; Y453-P485 HydrophobicContact CE2-CG 3.55Å |
| 454 | T | 96 | Very high | 95.1 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 24% | 0.239 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.6 | -38.3 | -178.7 | 52 | 0 | 0 | 0 | 0 | 113 | C441 V444 G445 G451 V456 F457 R458 | C441-T454 WeakPolarHBondContact O-CG2 3.29Å; C441-T454 PolarHBondContact SG-O 3.33Å; V444-T454 HydrophobicContact CB-CG2 4.19Å; V444-T454 HydrophobicContact CG1-CG2 3.99Å; G445-T454 VanDerWaalsContact CA-CG2 3.41Å; G445-T454 VanDerWaalsContact N-CG2 3.29Å; G451-T454 WeakPolarHBondContact O-CG2 3.31Å; G451-T454 PolarHBondContact O-N 3.24Å; G451-T454 PolarHBondContact O-OG1 2.9Å; T454-V456 VanDerWaalsContact C-N 3.32Å; T454-V456 PolarHBondContact O-N 3.48Å; T454-F457 PolarHBondContact O-N 3.05Å; T454-R458 PolarHBondContact O-N 3.49Å; T454-R458 VanDerWaalsContact O-N 3.08Å |
| 455 | R | 95.9 | Very high | 95 | Very high | 171 Ų | 171 | 60.1 Ų | 60.1 | 65% | 0.645 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.1 | -41 | 173.6 | 179.1 | 177 | 168.7 | 176.4 | -2.8 | 112.2 | Y453 R458 E459 | Y453-R455 PolarHBondContact O-N 3.11Å; R455-R458 WeakPolarHBondContact O-CB 3.36Å; R455-R458 PolarHBondContact O-N 3.4Å; R455-E459 HydrophobicContact CG-CG 4.3Å; R455-E459 IonicContact CZ-OE1 3.17Å; R455-E459 IonicContact NE-OE1 3.16Å; R455-E459 PolarHBondContact NE-OE1 3.28Å; R455-E459 IonicContact NE-OE2 3.64Å; R455-E459 IonicContact NH2-OE1 2.72Å; R455-E459 PolarHBondContact NH2-OE1 2.75Å; R455-E459 WeakPolarHBondContact O-CB 3.41Å; R455-E459 WeakPolarHBondContact O-CG 3.44Å; R455-E459 PolarHBondContact O-N 3.35Å |
| 456 | V | 96 | Very high | 94.9 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 180 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | Y453 T454 R458 E459 Q460 M479 | Y453-V456 WeakPolarHBondContact O-CA 3.48Å; Y453-V456 WeakPolarHBondContact O-CB 3.48Å; Y453-V456 PolarHBondContact O-N 2.71Å; T454-V456 VanDerWaalsContact C-N 3.32Å; T454-V456 PolarHBondContact O-N 3.48Å; V456-R458 VanDerWaalsContact C-N 3.27Å; V456-R458 PolarHBondContact O-N 2.99Å; V456-E459 PolarHBondContact O-N 2.95Å; V456-Q460 HydrophobicContact CG1-CG 4.27Å; V456-Q460 WeakPolarHBondContact O-CB 3.36Å; V456-Q460 WeakPolarHBondContact O-CG 3.49Å; V456-Q460 PolarHBondContact O-N 2.89Å; V456-M479 HydrophobicContact CG1-CB 3.81Å; V456-M479 HydrophobicContact CG1-CG 3.81Å |
| 457 | F | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 174.2 | -81.1 | -105.7 | 0 | 0 | 0 | 111.8 | V440 V444 Y453 T454 G461 I462 L467 L470 L475 M479 L481 I489 | V440-F457 HydrophobicContact CG1-CD1 3.75Å; V440-F457 HydrophobicContact CG1-CE1 4.47Å; V444-F457 HydrophobicContact CG1-CD2 4.26Å; V444-F457 HydrophobicContact CG1-CE2 4.32Å; V444-F457 HydrophobicContact CG2-CD1 4.11Å; V444-F457 HydrophobicContact CG2-CD2 4.42Å; V444-F457 HydrophobicContact CG2-CE1 4.08Å; V444-F457 HydrophobicContact CG2-CE2 4.4Å; V444-F457 HydrophobicContact CG2-CG 4.29Å; V444-F457 HydrophobicContact CG2-CZ 4.24Å; Y453-F457 WeakPolarHBondContact O-CD2 3.43Å; Y453-F457 PolarHBondContact O-N 2.7Å; Y453-F457 VanDerWaalsContact O-N 3.16Å; T454-F457 PolarHBondContact O-N 3.05Å; F457-G461 PolarHBondContact O-N 2.95Å; F457-I462 HydrophobicContact CB-CB 4.47Å; F457-I462 HydrophobicContact CB-CG1 4.48Å; F457-I462 HydrophobicContact CD1-CB 3.84Å; F457-I462 HydrophobicContact CD1-CG1 3.94Å; F457-I462 HydrophobicContact CD1-CG2 3.87Å; F457-I462 HydrophobicContact CE1-CG2 4.25Å; F457-I462 HydrophobicContact CG-CG1 4.43Å; F457-I462 PolarHBondContact O-N 2.93Å; F457-L467 HydrophobicContact CE1-CD1 3.96Å; F457-L470 HydrophobicContact CE1-CD1 3.82Å; F457-L470 HydrophobicContact CZ-CD1 4.44Å; F457-L475 HydrophobicContact CE1-CD2 4.48Å; F457-L475 HydrophobicContact CE2-CD2 4.37Å; F457-L475 HydrophobicContact CZ-CD2 3.65Å; F457-M479 HydrophobicContact CD2-SD 4.32Å; F457-M479 HydrophobicContact CE1-SD 4.46Å; F457-M479 HydrophobicContact CE2-SD 4.03Å; F457-M479 HydrophobicContact CZ-SD 4.11Å; F457-L481 HydrophobicContact CE2-CD1 4.32Å; F457-L481 HydrophobicContact CE2-CD2 4.22Å; F457-I489 HydrophobicContact CE2-CD1 4.03Å; F457-I489 HydrophobicContact CZ-CD1 3.92Å; F457-I489 HydrophobicContact CZ-CG2 4.27Å |
| 458 | R | 96.6 | Very high | 94.8 | Very high | 120 Ų | 120 | 58.8 Ų | 58.8 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 173.4 | -169 | 175.8 | -67 | -88.3 | 1.2 | 113 | D438 T454 R455 V456 Q460 G461 | D438-R458 IonicContact OD1-CZ 2.73Å; D438-R458 IonicContact OD1-NH1 3.34Å; D438-R458 PolarHBondContact OD1-NH1 2.92Å; D438-R458 IonicContact OD1-NH2 2.78Å; D438-R458 PolarHBondContact OD1-NH2 3.46Å; D438-R458 IonicContact OD2-NH1 3.69Å; D438-R458 PolarHBondContact OD2-NH1 3.4Å; T454-R458 PolarHBondContact O-N 3.49Å; T454-R458 VanDerWaalsContact O-N 3.08Å; R455-R458 WeakPolarHBondContact O-CB 3.36Å; R455-R458 PolarHBondContact O-N 3.4Å; V456-R458 VanDerWaalsContact C-N 3.27Å; V456-R458 PolarHBondContact O-N 2.99Å; R458-Q460 VanDerWaalsContact C-N 3.34Å; R458-G461 PolarHBondContact O-N 2.97Å; R458-G461 VanDerWaalsContact O-N 3.13Å |
| 459 | E | 96.2 | Very high | 94.7 | Very high | 117 Ų | 117 | 60.6 Ų | 60.6 | 55% | 0.547 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.6 | -31.4 | -179.4 | -75.4 | 174 | 157.3 | 0 | 0 | 112.7 | R455 V456 G461 | R455-E459 HydrophobicContact CG-CG 4.3Å; R455-E459 IonicContact CZ-OE1 3.17Å; R455-E459 IonicContact NE-OE1 3.16Å; R455-E459 PolarHBondContact NE-OE1 3.28Å; R455-E459 IonicContact NE-OE2 3.64Å; R455-E459 IonicContact NH2-OE1 2.72Å; R455-E459 PolarHBondContact NH2-OE1 2.75Å; R455-E459 WeakPolarHBondContact O-CB 3.41Å; R455-E459 WeakPolarHBondContact O-CG 3.44Å; R455-E459 PolarHBondContact O-N 3.35Å; V456-E459 PolarHBondContact O-N 2.95Å; E459-G461 VanDerWaalsContact C-N 3.32Å |
| 460 | Q | 95.4 | Very high | 94.9 | Very high | 104 Ų | 104 | 58.8 Ų | 58.8 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.8 | 171.8 | -62.5 | -65.3 | -24.1 | 0 | 0 | 113.3 | V456 R458 I462 M479 | V456-Q460 HydrophobicContact CG1-CG 4.27Å; V456-Q460 WeakPolarHBondContact O-CB 3.36Å; V456-Q460 WeakPolarHBondContact O-CG 3.49Å; V456-Q460 PolarHBondContact O-N 2.89Å; R458-Q460 VanDerWaalsContact C-N 3.34Å; Q460-I462 VanDerWaalsContact C-N 3.33Å; Q460-I462 HydrophobicContact CB-CD1 3.77Å; Q460-I462 HydrophobicContact CB-CG1 3.91Å; Q460-I462 PolarHBondContact O-N 3.27Å; Q460-M479 HydrophobicContact CG-CG 4.12Å |
| 461 | G | 95 | Very high | 94.9 | Very high | 38 Ų | 38 | 62.3 Ų | 62.3 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 30.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V437 F457 R458 E459 D463 | V437-G461 WeakPolarHBondContact CG2-O 3.43Å; F457-G461 PolarHBondContact O-N 2.95Å; R458-G461 PolarHBondContact O-N 2.97Å; R458-G461 VanDerWaalsContact O-N 3.13Å; E459-G461 VanDerWaalsContact C-N 3.32Å; G461-D463 PolarHBondContact O-N 3.08Å; G461-D463 VanDerWaalsContact O-N 3.16Å |
| 462 | I | 96.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | trans | -69.2 | 112.5 | -174.4 | -53.5 | -52.7 | 0 | 0 | 0 | 110.7 | V437 V440 F457 Q460 T466 L467 L470 | V437-I462 WeakPolarHBondContact CA-O 3.03Å; V440-I462 WeakPolarHBondContact CB-O 3.49Å; V440-I462 HydrophobicContact CG1-CB 4.44Å; V440-I462 HydrophobicContact CG1-CG2 4.11Å; F457-I462 HydrophobicContact CB-CB 4.47Å; F457-I462 HydrophobicContact CB-CG1 4.48Å; F457-I462 HydrophobicContact CD1-CB 3.84Å; F457-I462 HydrophobicContact CD1-CG1 3.94Å; F457-I462 HydrophobicContact CD1-CG2 3.87Å; F457-I462 HydrophobicContact CE1-CG2 4.25Å; F457-I462 HydrophobicContact CG-CG1 4.43Å; F457-I462 PolarHBondContact O-N 2.93Å; Q460-I462 VanDerWaalsContact C-N 3.33Å; Q460-I462 HydrophobicContact CB-CD1 3.77Å; Q460-I462 HydrophobicContact CB-CG1 3.91Å; Q460-I462 PolarHBondContact O-N 3.27Å; I462-T466 HydrophobicContact CD1-CG2 4.34Å; I462-L467 HydrophobicContact CG2-CB 4.07Å; I462-L467 HydrophobicContact CG2-CD1 4.43Å; I462-L470 HydrophobicContact CD1-CD2 4.11Å; I462-L470 HydrophobicContact CG2-CD1 3.84Å | ||
| 463 | D | 96.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | trans | -99 | -177.5 | 174.2 | 65.3 | 11.9 | 0 | 0 | 0 | 112.7 | V437 G461 E465 T466 L467 | V437-D463 HydrophobicContact CG2-CB 4.14Å; G461-D463 PolarHBondContact O-N 3.08Å; G461-D463 VanDerWaalsContact O-N 3.16Å; D463-E465 VanDerWaalsContact C-N 3.35Å; D463-E465 PolarHBondContact O-N 3.31Å; D463-E465 PolarHBondContact OD1-N 3.06Å; D463-T466 PolarHBondContact O-N 3.3Å; D463-T466 WeakPolarHBondContact OD1-CB 3.24Å; D463-T466 PolarHBondContact OD1-N 3.47Å; D463-T466 PolarHBondContact OD1-OG1 3.25Å; D463-L467 WeakPolarHBondContact O-CB 3.49Å; D463-L467 PolarHBondContact O-N 3.05Å | ||
| 464 | G | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V432 T433 W435 P468 | V432-G464 CarbonylContact C-O 3.56Å; V432-G464 CarbonylContact O-C 3.35Å; V432-G464 WeakPolarHBondContact O-CA 3.25Å; T433-G464 WeakPolarHBondContact CA-O 3.49Å; W435-G464 WeakPolarHBondContact O-CA 3.42Å; W435-G464 PolarHBondContact O-N 2.88Å; G464-P468 WeakPolarHBondContact O-CD 3.39Å |
| 465 | E | 93.1 | Very high | 95 | Very high | 132 Ų | 132 | 64.7 Ų | 64.7 | 62% | 0.617 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -35.4 | 175.2 | -60.2 | -162.5 | 156.3 | 0 | 0 | 111.4 | T433 D463 | T433-E465 WeakPolarHBondContact O-CG 3.46Å; D463-E465 VanDerWaalsContact C-N 3.35Å; D463-E465 PolarHBondContact O-N 3.31Å; D463-E465 PolarHBondContact OD1-N 3.06Å |
| 466 | T | 93.9 | Very high | 95 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -35.1 | -178.6 | -49.5 | 0 | 0 | 0 | 0 | 112.6 | I462 D463 L469 L470 | I462-T466 HydrophobicContact CD1-CG2 4.34Å; D463-T466 PolarHBondContact O-N 3.3Å; D463-T466 WeakPolarHBondContact OD1-CB 3.24Å; D463-T466 PolarHBondContact OD1-N 3.47Å; D463-T466 PolarHBondContact OD1-OG1 3.25Å; T466-L469 WeakPolarHBondContact O-CA 3.46Å; T466-L469 WeakPolarHBondContact O-CB 3.49Å; T466-L469 PolarHBondContact O-N 2.96Å; T466-L470 HydrophobicContact CG2-CD2 3.99Å; T466-L470 PolarHBondContact O-N 2.94Å |
| 467 | L | 94.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -53 | -40.6 | -178.3 | 175.8 | 66.2 | 0 | 0 | 0 | 114.7 | V432 W435 V440 F443 F457 I462 D463 L469 L470 I489 V493 | V432-L467 HydrophobicContact CG1-CD2 4.15Å; W435-L467 HydrophobicContact CE3-CD2 3.89Å; W435-L467 HydrophobicContact CZ3-CD2 3.85Å; V440-L467 HydrophobicContact CG1-CD1 4.3Å; V440-L467 HydrophobicContact CG1-CD2 4.12Å; V440-L467 HydrophobicContact CG2-CB 4.43Å; V440-L467 HydrophobicContact CG2-CD2 3.99Å; F443-L467 HydrophobicContact CD1-CD2 4.17Å; F443-L467 HydrophobicContact CE1-CD2 4.17Å; F457-L467 HydrophobicContact CE1-CD1 3.96Å; I462-L467 HydrophobicContact CG2-CB 4.07Å; I462-L467 HydrophobicContact CG2-CD1 4.43Å; D463-L467 WeakPolarHBondContact O-CB 3.49Å; D463-L467 PolarHBondContact O-N 3.05Å; L467-L469 VanDerWaalsContact C-N 3.28Å; L467-L469 PolarHBondContact O-N 3.47Å; L467-L470 HydrophobicContact CD1-CD1 3.89Å; L467-I489 HydrophobicContact CD1-CG2 4.32Å; L467-V493 HydrophobicContact CD1-CG2 3.82Å; L467-V493 HydrophobicContact CD2-CG2 3.81Å; L467-V493 HydrophobicContact CG-CG1 4.35Å; L467-V493 HydrophobicContact CG-CG2 3.69Å |
| 468 | P | 92.5 | Very high | 94.7 | Very high | 46 Ų | 46 | 67.5 Ų | 67.5 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -64.6 | -25 | 172.2 | -26.6 | 37.2 | 0 | 0 | 0 | 115.3 | V432 G464 L497 | V432-P468 HydrophobicContact CG1-CG 4.24Å; G464-P468 WeakPolarHBondContact O-CD 3.39Å; P468-L497 HydrophobicContact CB-CD1 3.76Å; P468-L497 HydrophobicContact CG-CD1 3.99Å; P468-L497 HydrophobicContact CG-CD2 4.08Å |
| 469 | L | 93 | Very high | 94.5 | Very high | 133 Ų | 133 | 62.2 Ų | 62.2 | 70% | 0.696 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -87.6 | -12.3 | -173.5 | -53.9 | 178.3 | 0 | 0 | 0 | 112.9 | T466 L467 T471 | T466-L469 WeakPolarHBondContact O-CA 3.46Å; T466-L469 WeakPolarHBondContact O-CB 3.49Å; T466-L469 PolarHBondContact O-N 2.96Å; L467-L469 VanDerWaalsContact C-N 3.28Å; L467-L469 PolarHBondContact O-N 3.47Å; L469-T471 PolarHBondContact O-N 3.4Å |
| 470 | L | 93.9 | Very high | 94.4 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -66.7 | 113.8 | -176.6 | -49.2 | 178.3 | 0 | 0 | 0 | 111.2 | F457 I462 T466 L467 L475 M479 | F457-L470 HydrophobicContact CE1-CD1 3.82Å; F457-L470 HydrophobicContact CZ-CD1 4.44Å; I462-L470 HydrophobicContact CD1-CD2 4.11Å; I462-L470 HydrophobicContact CG2-CD1 3.84Å; T466-L470 HydrophobicContact CG2-CD2 3.99Å; T466-L470 PolarHBondContact O-N 2.94Å; L467-L470 HydrophobicContact CD1-CD1 3.89Å; L470-L475 HydrophobicContact CB-CD1 4.41Å; L470-L475 HydrophobicContact CB-CG 4.29Å; L470-L475 HydrophobicContact CD1-CD2 4.23Å; L470-M479 HydrophobicContact CD1-CE 3.98Å; L470-M479 HydrophobicContact CD2-CE 4.18Å; L470-M479 HydrophobicContact CG-CE 4.5Å | ||
| 471 | T | 94.3 | Very high | 94.4 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | trans | -72.6 | 163 | 173.3 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | L469 E473 H474 L475 | L469-T471 PolarHBondContact O-N 3.4Å; T471-E473 VanDerWaalsContact C-N 3.34Å; T471-H474 PolarHBondContact O-N 3.49Å; T471-H474 VanDerWaalsContact OG1-CB 3.3Å; T471-H474 WeakPolarHBondContact OG1-CB 3.42Å; T471-H474 PolarHBondContact OG1-N 3.09Å; T471-H474 VanDerWaalsContact OG1-N 3.07Å; T471-L475 WeakPolarHBondContact O-CG 3.34Å; T471-L475 PolarHBondContact O-N 3.33Å; T471-L475 VanDerWaalsContact O-N 3.12Å | ||
| 472 | E | 94.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 173.8 | -168.4 | 163.5 | 129.9 | 0 | 0 | 111.7 | H474 L475 L476 L483 L487 R490 | E472-H474 VanDerWaalsContact C-N 3.31Å; E472-H474 PolarHBondContact O-N 2.97Å; E472-L475 PolarHBondContact O-N 3.4Å; E472-L476 HydrophobicContact CG-CD1 4.04Å; E472-L476 HydrophobicContact CG-CG 4.44Å; E472-L476 WeakPolarHBondContact O-CB 3.46Å; E472-L476 VanDerWaalsContact O-CG 3.26Å; E472-L476 WeakPolarHBondContact O-CG 3.28Å; E472-L476 PolarHBondContact O-N 2.7Å; E472-L483 HydrophobicContact CG-CD1 4.44Å; E472-L483 WeakPolarHBondContact OE1-CD1 3.33Å; E472-L487 WeakPolarHBondContact OE2-CD2 3.27Å; E472-R490 IonicContact OE2-CZ 2.74Å; E472-R490 IonicContact OE2-NH1 3.19Å; E472-R490 PolarHBondContact OE2-NH1 3.34Å |
| 473 | E | 94.3 | Very high | 94.4 | Very high | 141 Ų | 141 | 62.6 Ų | 62.6 | 66% | 0.659 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.1 | -42.4 | 174.3 | -179.1 | 176 | -160.6 | 0 | 0 | 112 | T471 L476 T477 | T471-E473 VanDerWaalsContact C-N 3.34Å; E473-L476 PolarHBondContact O-N 2.98Å; E473-T477 WeakPolarHBondContact O-CA 3.5Å; E473-T477 WeakPolarHBondContact O-CB 2.98Å; E473-T477 PolarHBondContact O-N 3.47Å; E473-T477 PolarHBondContact O-OG1 2.88Å |
| 474 | H | 95.5 | Very high | 94.4 | Very high | 53 Ų | 53 | 62 Ų | 62 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -67.4 | -39.4 | 179.5 | -176.6 | 68 | 0 | 0 | 0 | 112.4 | T471 E472 N478 M479 | T471-H474 PolarHBondContact O-N 3.49Å; T471-H474 VanDerWaalsContact OG1-CB 3.3Å; T471-H474 WeakPolarHBondContact OG1-CB 3.42Å; T471-H474 PolarHBondContact OG1-N 3.09Å; T471-H474 VanDerWaalsContact OG1-N 3.07Å; E472-H474 VanDerWaalsContact C-N 3.31Å; E472-H474 PolarHBondContact O-N 2.97Å; H474-N478 WeakPolarHBondContact ND1-CB 3.37Å; H474-N478 VanDerWaalsContact ND1-CG 3.34Å; H474-N478 PolarHBondContact ND1-OD1 3.26Å; H474-N478 WeakPolarHBondContact O-CB 3.41Å; H474-N478 PolarHBondContact O-N 3.2Å; H474-M479 WeakPolarHBondContact CD2-CE 3.49Å; H474-M479 WeakPolarHBondContact NE2-CE 3.44Å; H474-M479 PolarHBondContact O-N 2.79Å; H474-M479 VanDerWaalsContact O-N 3.16Å |
| 475 | L | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -63.8 | -43.8 | 173.5 | -71.3 | 158.5 | 0 | 0 | 0 | 111.9 | F457 L470 T471 E472 M479 G480 L481 A486 R490 | F457-L475 HydrophobicContact CE1-CD2 4.48Å; F457-L475 HydrophobicContact CE2-CD2 4.37Å; F457-L475 HydrophobicContact CZ-CD2 3.65Å; L470-L475 HydrophobicContact CB-CD1 4.41Å; L470-L475 HydrophobicContact CB-CG 4.29Å; L470-L475 HydrophobicContact CD1-CD2 4.23Å; T471-L475 WeakPolarHBondContact O-CG 3.34Å; T471-L475 PolarHBondContact O-N 3.33Å; T471-L475 VanDerWaalsContact O-N 3.12Å; E472-L475 PolarHBondContact O-N 3.4Å; L475-M479 HydrophobicContact CD2-CE 3.61Å; L475-M479 HydrophobicContact CD2-SD 4.13Å; L475-M479 HydrophobicContact CG-CE 4.11Å; L475-M479 WeakPolarHBondContact O-CB 3.45Å; L475-G480 PolarHBondContact O-N 3.45Å; L475-L481 HydrophobicContact CB-CD2 4.48Å; L475-L481 HydrophobicContact CD2-CD2 3.96Å; L475-L481 WeakPolarHBondContact O-CB 3.4Å; L475-L481 PolarHBondContact O-N 3.07Å; L475-A486 HydrophobicContact CB-CB 3.89Å; L475-A486 HydrophobicContact CD1-CB 4.35Å; L475-R490 HydrophobicContact CD1-CG 3.51Å |
| 476 | L | 96.1 | Very high | 94.6 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -71.1 | -50.5 | 179.9 | -67.4 | 174.3 | 0 | 0 | 0 | 112.6 | E472 E473 G480 L481 L483 A486 | E472-L476 HydrophobicContact CG-CD1 4.04Å; E472-L476 HydrophobicContact CG-CG 4.44Å; E472-L476 WeakPolarHBondContact O-CB 3.46Å; E472-L476 VanDerWaalsContact O-CG 3.26Å; E472-L476 WeakPolarHBondContact O-CG 3.28Å; E472-L476 PolarHBondContact O-N 2.7Å; E473-L476 PolarHBondContact O-N 2.98Å; L476-G480 VanDerWaalsContact O-CA 3.25Å; L476-G480 WeakPolarHBondContact O-CA 3.49Å; L476-G480 PolarHBondContact O-N 2.9Å; L476-L481 VanDerWaalsContact CD2-O 3.24Å; L476-L481 WeakPolarHBondContact CD2-O 3.4Å; L476-L483 HydrophobicContact CD1-CD1 4.32Å; L476-L483 HydrophobicContact CD2-CB 4.19Å; L476-L483 HydrophobicContact CD2-CD1 4.32Å; L476-A486 HydrophobicContact CD2-CB 4.29Å |
| 477 | T | 93.2 | Very high | 94.7 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 63% | 0.632 | 32% | 0.319 | S | S | * | . | I | π-helix | trans | -91.6 | -43.8 | -166 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | E473 | E473-T477 WeakPolarHBondContact O-CA 3.5Å; E473-T477 WeakPolarHBondContact O-CB 2.98Å; E473-T477 PolarHBondContact O-N 3.47Å; E473-T477 PolarHBondContact O-OG1 2.88Å |
| 478 | N | 92.7 | Very high | 94.7 | Very high | 100 Ų | 100 | 61 Ų | 61 | 54% | 0.535 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -88.2 | -36.7 | -177.9 | -61.4 | 106 | 0 | 0 | 0 | 112.6 | H474 | H474-N478 WeakPolarHBondContact ND1-CB 3.37Å; H474-N478 VanDerWaalsContact ND1-CG 3.34Å; H474-N478 PolarHBondContact ND1-OD1 3.26Å; H474-N478 WeakPolarHBondContact O-CB 3.41Å; H474-N478 PolarHBondContact O-N 3.2Å |
| 479 | M | 93.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -98 | -6.7 | 178.6 | -72.4 | -178.3 | -102 | 0 | 0 | 114.3 | V456 F457 Q460 L470 H474 L475 L481 | V456-M479 HydrophobicContact CG1-CB 3.81Å; V456-M479 HydrophobicContact CG1-CG 3.81Å; F457-M479 HydrophobicContact CD2-SD 4.32Å; F457-M479 HydrophobicContact CE1-SD 4.46Å; F457-M479 HydrophobicContact CE2-SD 4.03Å; F457-M479 HydrophobicContact CZ-SD 4.11Å; Q460-M479 HydrophobicContact CG-CG 4.12Å; L470-M479 HydrophobicContact CD1-CE 3.98Å; L470-M479 HydrophobicContact CD2-CE 4.18Å; L470-M479 HydrophobicContact CG-CE 4.5Å; H474-M479 WeakPolarHBondContact CD2-CE 3.49Å; H474-M479 WeakPolarHBondContact NE2-CE 3.44Å; H474-M479 PolarHBondContact O-N 2.79Å; H474-M479 VanDerWaalsContact O-N 3.16Å; L475-M479 HydrophobicContact CD2-CE 3.61Å; L475-M479 HydrophobicContact CD2-SD 4.13Å; L475-M479 HydrophobicContact CG-CE 4.11Å; L475-M479 WeakPolarHBondContact O-CB 3.45Å; M479-L481 VanDerWaalsContact C-N 3.28Å; M479-L481 HydrophobicContact CB-CD1 3.55Å; M479-L481 PolarHBondContact O-N 2.99Å |
| 480 | G | 93.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | trans | 67.9 | 21.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L475 L476 | L475-G480 PolarHBondContact O-N 3.45Å; L476-G480 VanDerWaalsContact O-CA 3.25Å; L476-G480 WeakPolarHBondContact O-CA 3.49Å; L476-G480 PolarHBondContact O-N 2.9Å | ||
| 481 | L | 95.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | trans | -68.7 | 145.9 | 177.8 | -86.2 | 68 | 0 | 0 | 0 | 111.1 | Y453 F457 L475 L476 M479 P485 A486 I489 | Y453-L481 HydrophobicContact CD1-CB 4.42Å; Y453-L481 HydrophobicContact CD1-CD1 3.53Å; Y453-L481 HydrophobicContact CD1-CG 3.51Å; Y453-L481 HydrophobicContact CD2-CG 4.12Å; Y453-L481 HydrophobicContact CE1-CB 4.27Å; Y453-L481 HydrophobicContact CE1-CD1 4.17Å; Y453-L481 HydrophobicContact CE1-CG 3.82Å; Y453-L481 HydrophobicContact CE2-CG 4.42Å; Y453-L481 HydrophobicContact CG-CD1 3.88Å; Y453-L481 HydrophobicContact CG-CD2 4.31Å; Y453-L481 HydrophobicContact CG-CG 3.68Å; F457-L481 HydrophobicContact CE2-CD1 4.32Å; F457-L481 HydrophobicContact CE2-CD2 4.22Å; L475-L481 HydrophobicContact CB-CD2 4.48Å; L475-L481 HydrophobicContact CD2-CD2 3.96Å; L475-L481 WeakPolarHBondContact O-CB 3.4Å; L475-L481 PolarHBondContact O-N 3.07Å; L476-L481 VanDerWaalsContact CD2-O 3.24Å; L476-L481 WeakPolarHBondContact CD2-O 3.4Å; M479-L481 VanDerWaalsContact C-N 3.28Å; M479-L481 HydrophobicContact CB-CD1 3.55Å; M479-L481 PolarHBondContact O-N 2.99Å; L481-P485 HydrophobicContact CD2-CB 4.29Å; L481-A486 HydrophobicContact CB-CB 4.17Å; L481-A486 HydrophobicContact CD2-CB 4.31Å; L481-I489 HydrophobicContact CD2-CD1 3.63Å | ||
| 482 | K | 96.6 | Very high | 94.7 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | trans | -69.7 | 149.2 | 163.3 | -60 | 159.5 | -160.7 | 152.5 | 0 | 109 | E452 Y453 G484 P485 A486 | E452-K482 IonicContact OE1-NZ 2.75Å; E452-K482 PolarHBondContact OE1-NZ 3.41Å; E452-K482 IonicContact OE2-NZ 3.11Å; Y453-K482 VanDerWaalsContact OH-CD 3.25Å; Y453-K482 WeakPolarHBondContact OH-CD 3.43Å; Y453-K482 VanDerWaalsContact OH-CE 3.31Å; Y453-K482 WeakPolarHBondContact OH-CE 3.26Å; Y453-K482 WeakPolarHBondContact OH-CG 3.38Å; Y453-K482 PolarHBondContact OH-NZ 3.46Å; K482-G484 VanDerWaalsContact C-N 3.29Å; K482-G484 PolarHBondContact O-N 3.32Å; K482-P485 HydrophobicContact CB-CG 4.2Å; K482-P485 VanDerWaalsContact O-CD 3.22Å; K482-P485 WeakPolarHBondContact O-CD 3.43Å; K482-A486 PolarHBondContact O-N 3.29Å | ||
| 483 | L | 95 | Very high | 94.6 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.2 | -39.3 | -177.5 | -177.7 | 63.4 | 0 | 0 | 0 | 113.9 | E472 L476 A486 L487 | E472-L483 HydrophobicContact CG-CD1 4.44Å; E472-L483 WeakPolarHBondContact OE1-CD1 3.33Å; L476-L483 HydrophobicContact CD1-CD1 4.32Å; L476-L483 HydrophobicContact CD2-CB 4.19Å; L476-L483 HydrophobicContact CD2-CD1 4.32Å; L483-A486 PolarHBondContact O-N 3.04Å; L483-L487 HydrophobicContact CD1-CD1 3.86Å; L483-L487 HydrophobicContact CD1-CD2 4.49Å; L483-L487 HydrophobicContact CD1-CG 3.9Å; L483-L487 HydrophobicContact CD2-CD1 4.48Å; L483-L487 HydrophobicContact CG-CD1 3.82Å; L483-L487 HydrophobicContact CG-CG 4.27Å; L483-L487 WeakPolarHBondContact O-CB 3.48Å; L483-L487 VanDerWaalsContact O-CG 3.32Å; L483-L487 WeakPolarHBondContact O-CG 3.04Å; L483-L487 PolarHBondContact O-N 2.05Å |
| 484 | G | 95.6 | Very high | 94.4 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.6 | -59.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | K482 A486 L487 K488 | K482-G484 VanDerWaalsContact C-N 3.29Å; K482-G484 PolarHBondContact O-N 3.32Å; G484-A486 PolarHBondContact O-N 3.45Å; G484-L487 PolarHBondContact O-N 2.94Å; G484-K488 WeakPolarHBondContact O-CB 3.45Å; G484-K488 WeakPolarHBondContact O-CG 3.49Å; G484-K488 PolarHBondContact O-N 2.96Å |
| 485 | P | 96 | Very high | 94 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.2 | -46.2 | 170.1 | -31.1 | 35.2 | 0 | 0 | 0 | 114.6 | Y453 L481 K482 L487 K488 I489 | Y453-P485 HydrophobicContact CD2-CB 3.98Å; Y453-P485 HydrophobicContact CD2-CG 4.42Å; Y453-P485 HydrophobicContact CE2-CB 3.55Å; Y453-P485 HydrophobicContact CE2-CG 3.55Å; L481-P485 HydrophobicContact CD2-CB 4.29Å; K482-P485 HydrophobicContact CB-CG 4.2Å; K482-P485 VanDerWaalsContact O-CD 3.22Å; K482-P485 WeakPolarHBondContact O-CD 3.43Å; P485-L487 PolarHBondContact O-N 3.38Å; P485-K488 WeakPolarHBondContact O-CB 3.48Å; P485-K488 PolarHBondContact O-N 3.14Å; P485-I489 WeakPolarHBondContact O-CG1 3.39Å; P485-I489 PolarHBondContact O-N 2.72Å |
| 486 | A | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L475 L476 L481 K482 L483 G484 K488 I489 R490 | L475-A486 HydrophobicContact CB-CB 3.89Å; L475-A486 HydrophobicContact CD1-CB 4.35Å; L476-A486 HydrophobicContact CD2-CB 4.29Å; L481-A486 HydrophobicContact CB-CB 4.17Å; L481-A486 HydrophobicContact CD2-CB 4.31Å; K482-A486 PolarHBondContact O-N 3.29Å; L483-A486 PolarHBondContact O-N 3.04Å; G484-A486 PolarHBondContact O-N 3.45Å; A486-K488 PolarHBondContact O-N 2.99Å; A486-I489 PolarHBondContact O-N 2.9Å; A486-R490 WeakPolarHBondContact O-CG 3.41Å; A486-R490 PolarHBondContact O-N 3.45Å |
| 487 | L | 95.4 | Very high | 93.1 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.4 | -70.1 | 175.1 | 0 | 0 | 0 | 112.5 | E472 L483 G484 P485 A491 | E472-L487 WeakPolarHBondContact OE2-CD2 3.27Å; L483-L487 HydrophobicContact CD1-CD1 3.86Å; L483-L487 HydrophobicContact CD1-CD2 4.49Å; L483-L487 HydrophobicContact CD1-CG 3.9Å; L483-L487 HydrophobicContact CD2-CD1 4.48Å; L483-L487 HydrophobicContact CG-CD1 3.82Å; L483-L487 HydrophobicContact CG-CG 4.27Å; L483-L487 WeakPolarHBondContact O-CB 3.48Å; L483-L487 VanDerWaalsContact O-CG 3.32Å; L483-L487 WeakPolarHBondContact O-CG 3.04Å; L483-L487 PolarHBondContact O-N 2.05Å; G484-L487 PolarHBondContact O-N 2.94Å; P485-L487 PolarHBondContact O-N 3.38Å; L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 2.91Å |
| 488 | K | 95.4 | Very high | 92.1 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 174.5 | -80 | 176 | 176.3 | -179.6 | 0 | 111.8 | S448 G484 P485 A486 Q492 | S448-K488 PolarHBondContact O-NZ 3.09Å; G484-K488 WeakPolarHBondContact O-CB 3.45Å; G484-K488 WeakPolarHBondContact O-CG 3.49Å; G484-K488 PolarHBondContact O-N 2.96Å; P485-K488 WeakPolarHBondContact O-CB 3.48Å; P485-K488 PolarHBondContact O-N 3.14Å; A486-K488 PolarHBondContact O-N 2.99Å; K488-Q492 WeakPolarHBondContact O-CB 3.15Å; K488-Q492 VanDerWaalsContact O-CG 3.25Å; K488-Q492 WeakPolarHBondContact O-CG 3.32Å; K488-Q492 PolarHBondContact O-N 2.95Å; K488-Q492 VanDerWaalsContact O-N 3.08Å |
| 489 | I | 95 | Very high | 90.4 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -53.1 | -179.4 | -68 | 161 | 0 | 0 | 0 | 109.6 | V444 L447 C450 F457 L467 L481 P485 A486 A491 Q492 V493 | V444-I489 HydrophobicContact CG1-CD1 4.08Å; V444-I489 HydrophobicContact CG2-CD1 4.38Å; V444-I489 HydrophobicContact CG2-CG1 4.5Å; L447-I489 HydrophobicContact CD1-CG1 3.9Å; C450-I489 HydrophobicContact CB-CD1 4.41Å; F457-I489 HydrophobicContact CE2-CD1 4.03Å; F457-I489 HydrophobicContact CZ-CD1 3.92Å; F457-I489 HydrophobicContact CZ-CG2 4.27Å; L467-I489 HydrophobicContact CD1-CG2 4.32Å; L481-I489 HydrophobicContact CD2-CD1 3.63Å; P485-I489 WeakPolarHBondContact O-CG1 3.39Å; P485-I489 PolarHBondContact O-N 2.72Å; A486-I489 PolarHBondContact O-N 2.9Å; I489-A491 VanDerWaalsContact C-N 3.31Å; I489-A491 PolarHBondContact O-N 3.34Å; I489-Q492 PolarHBondContact O-N 3.32Å; I489-Q492 VanDerWaalsContact O-N 3.09Å; I489-V493 HydrophobicContact CG2-CG2 4.25Å; I489-V493 WeakPolarHBondContact O-CG2 3.16Å; I489-V493 PolarHBondContact O-N 3.41Å |
| 490 | R | 93.5 | Very high | 88.3 | Confident | 86 Ų | 86 | 68.7 Ų | 68.7 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.5 | -44.5 | 177.7 | -67.9 | -179.1 | 76.9 | -132.8 | -5.6 | 112.5 | E472 L475 A486 Q492 A494 | E472-R490 IonicContact OE2-CZ 2.74Å; E472-R490 IonicContact OE2-NH1 3.19Å; E472-R490 PolarHBondContact OE2-NH1 3.34Å; L475-R490 HydrophobicContact CD1-CG 3.51Å; A486-R490 WeakPolarHBondContact O-CG 3.41Å; A486-R490 PolarHBondContact O-N 3.45Å; R490-Q492 PolarHBondContact O-N 2.98Å; R490-A494 VanDerWaalsContact O-CB 3.27Å; R490-A494 WeakPolarHBondContact O-CB 3.3Å; R490-A494 PolarHBondContact O-N 3.2Å |
| 491 | A | 92.5 | Very high | 86.1 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L487 I489 R495 Y502 | L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 2.91Å; I489-A491 VanDerWaalsContact C-N 3.31Å; I489-A491 PolarHBondContact O-N 3.34Å; A491-R495 VanDerWaalsContact O-CG 3.29Å; A491-R495 WeakPolarHBondContact O-CG 3.07Å; A491-R495 PolarHBondContact O-N 3.02Å; A491-Y502 HydrophobicContact CB-CE2 4.39Å |
| 492 | Q | 92.6 | Very high | 83.9 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -75.4 | -36.5 | 179.8 | -67.8 | -73.2 | 12.9 | 0 | 0 | 112.6 | F443 L447 K488 I489 R490 R495 R496 | F443-Q492 HydrophobicContact CE2-CB 4.02Å; F443-Q492 HydrophobicContact CZ-CB 3.68Å; L447-Q492 HydrophobicContact CD1-CB 4.27Å; L447-Q492 HydrophobicContact CD1-CG 4.24Å; L447-Q492 HydrophobicContact CD2-CB 4.39Å; L447-Q492 HydrophobicContact CD2-CG 3.82Å; K488-Q492 WeakPolarHBondContact O-CB 3.15Å; K488-Q492 VanDerWaalsContact O-CG 3.25Å; K488-Q492 WeakPolarHBondContact O-CG 3.32Å; K488-Q492 PolarHBondContact O-N 2.95Å; K488-Q492 VanDerWaalsContact O-N 3.08Å; I489-Q492 PolarHBondContact O-N 3.32Å; I489-Q492 VanDerWaalsContact O-N 3.09Å; R490-Q492 PolarHBondContact O-N 2.98Å; Q492-R495 PolarHBondContact O-N 2.93Å; Q492-R496 PolarHBondContact O-N 3.19Å; Q492-R496 VanDerWaalsContact O-N 3.12Å |
| 493 | V | 92.9 | Very high | 81.4 | Confident | 8 Ų | 8 | 80.7 Ų | 80.7 | 5% | 0.048 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 170.2 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | F443 L467 I489 R495 R496 L497 | F443-V493 HydrophobicContact CE1-CG2 3.74Å; F443-V493 HydrophobicContact CZ-CG2 4.07Å; L467-V493 HydrophobicContact CD1-CG2 3.82Å; L467-V493 HydrophobicContact CD2-CG2 3.81Å; L467-V493 HydrophobicContact CG-CG1 4.35Å; L467-V493 HydrophobicContact CG-CG2 3.69Å; I489-V493 HydrophobicContact CG2-CG2 4.25Å; I489-V493 WeakPolarHBondContact O-CG2 3.16Å; I489-V493 PolarHBondContact O-N 3.41Å; V493-R495 VanDerWaalsContact C-N 3.27Å; V493-R495 PolarHBondContact O-N 2.96Å; V493-R496 PolarHBondContact O-N 3.48Å; V493-R496 VanDerWaalsContact O-N 3.08Å; V493-L497 HydrophobicContact CG1-CD1 3.62Å; V493-L497 HydrophobicContact CG1-CG 4.31Å; V493-L497 WeakPolarHBondContact O-CG 3.19Å; V493-L497 PolarHBondContact O-N 3.29Å |
| 494 | A | 89 | Confident | 79 | Confident | 24 Ų | 24 | 80.6 Ų | 80.6 | 20% | 0.198 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.2 | -25.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R490 Y502 | R490-A494 VanDerWaalsContact O-CB 3.27Å; R490-A494 WeakPolarHBondContact O-CB 3.3Å; R490-A494 PolarHBondContact O-N 3.2Å; A494-Y502 HydrophobicContact CB-CD2 3.44Å; A494-Y502 VanDerWaalsContact CB-CD2 3.44Å; A494-Y502 HydrophobicContact CB-CE2 4.17Å; A494-Y502 HydrophobicContact CB-CG 4.04Å |
| 495 | R | 88 | Confident | 76.6 | Confident | 159 Ų | 159 | 83.3 Ų | 83.3 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -71.2 | -38.5 | 170.3 | -77.4 | 175.9 | 78.6 | -121.7 | 1.3 | 112.4 | A491 Q492 V493 | A491-R495 VanDerWaalsContact O-CG 3.29Å; A491-R495 WeakPolarHBondContact O-CG 3.07Å; A491-R495 PolarHBondContact O-N 3.02Å; Q492-R495 PolarHBondContact O-N 2.93Å; V493-R495 VanDerWaalsContact C-N 3.27Å; V493-R495 PolarHBondContact O-N 2.96Å |
| 496 | R | 87.3 | Confident | 73.6 | Confident | 111 Ų | 111 | 90.4 Ų | 90.4 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.8 | -40.6 | -179.4 | -72.6 | 179.5 | 173.4 | -92.2 | 6.6 | 112.8 | V432 Q492 V493 G498 | V432-R496 HydrophobicContact CG2-CB 3.67Å; Q492-R496 PolarHBondContact O-N 3.19Å; Q492-R496 VanDerWaalsContact O-N 3.12Å; V493-R496 PolarHBondContact O-N 3.48Å; V493-R496 VanDerWaalsContact O-N 3.08Å; R496-G498 PolarHBondContact O-N 3.06Å; R496-G498 VanDerWaalsContact O-N 3.14Å |
| 497 | L | 85.9 | Confident | 71.1 | Confident | 83 Ų | 83 | 96.2 Ų | 96.2 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -67.2 | -7.7 | 176.8 | -68.5 | 168.6 | 0 | 0 | 0 | 114.7 | V432 P468 V493 | V432-L497 HydrophobicContact CB-CD2 3.83Å; V432-L497 HydrophobicContact CB-CG 4.48Å; V432-L497 HydrophobicContact CG1-CD2 4.44Å; V432-L497 HydrophobicContact CG2-CD2 4.06Å; V432-L497 HydrophobicContact CG2-CG 4.31Å; P468-L497 HydrophobicContact CB-CD1 3.76Å; P468-L497 HydrophobicContact CG-CD1 3.99Å; P468-L497 HydrophobicContact CG-CD2 4.08Å; V493-L497 HydrophobicContact CG1-CD1 3.62Å; V493-L497 HydrophobicContact CG1-CG 4.31Å; V493-L497 WeakPolarHBondContact O-CG 3.19Å; V493-L497 PolarHBondContact O-N 3.29Å |
| 498 | G | 70.9 | Confident | 68.6 | Low | 39 Ų | 39 | 100 Ų | 100 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | trans | 78.5 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | R496 V500 | R496-G498 PolarHBondContact O-N 3.06Å; R496-G498 VanDerWaalsContact O-N 3.14Å; G498-V500 PolarHBondContact O-N 3.04Å | ||
| 499 | R | 56.7 | Low | 66 | Low | 261 Ų | 261 | 100 Ų | 100 | 99% | 0.985 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 81.9 | -166.2 | -63.8 | -179.5 | -179 | 176 | 0.7 | 113.1 | ||
| 500 | V | 49.4 | Very low | 63.5 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 62% | 0.624 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | -44.2 | 165.6 | -167.6 | 0 | 0 | 0 | 0 | 113.4 | G498 | G498-V500 PolarHBondContact O-N 3.04Š|
| 501 | F | 49.2 | Very low | 60.8 | Low | 176 Ų | 176 | 108.8 Ų | 108.8 | 77% | 0.772 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -119.3 | -18 | -166.7 | -65.2 | -68.4 | 0 | 0 | 0 | 117.8 | V503 | F501-V503 PolarHBondContact O-N 3.25Š|
| 502 | Y | 49.5 | Very low | 58.2 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 45% | 0.451 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | 31.4 | -170.7 | -142.3 | -95.6 | 0 | 0 | 0 | 116.1 | A491 A494 | A491-Y502 HydrophobicContact CB-CE2 4.39Å; A494-Y502 HydrophobicContact CB-CD2 3.44Å; A494-Y502 VanDerWaalsContact CB-CD2 3.44Å; A494-Y502 HydrophobicContact CB-CE2 4.17Å; A494-Y502 HydrophobicContact CB-CG 4.04Å |
| 503 | V | 43.4 | Very low | 55.9 | Low | 147 Ų | 147 | 121.7 Ų | 121.7 | 89% | 0.891 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 3.6 | 173.9 | -140.9 | 0 | 0 | 0 | 0 | 112.7 | F501 | F501-V503 PolarHBondContact O-N 3.25Š|
| 504 | A | 44.5 | Very low | 53.3 | Low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -125.4 | 35 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 505 | S | 44.3 | Very low | 50.9 | Low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -154.5 | 46.1 | 175 | -72.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 506 | F | 33.1 | Very low | 48.4 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | trans | -143.8 | 96.3 | 160.2 | -88.5 | -71.8 | 0 | 0 | 0 | 110.4 | V508 | F506-V508 PolarHBondContact O-N 3.15Š| ||
| 507 | P | 45.3 | Very low | 45.7 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 122.7 | 160.4 | 28.6 | -31.3 | 0 | 0 | 0 | 108.3 | A509 | P507-A509 PolarHBondContact O-N 3.03Š|
| 508 | V | 43.1 | Very low | 43.4 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125 | 166.7 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | F506 L510 | F506-V508 PolarHBondContact O-N 3.15Å; V508-L510 PolarHBondContact O-N 3.39Å; V508-L510 VanDerWaalsContact O-N 3.11Å |
| 509 | A | 40 | Very low | 41.5 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P507 | P507-A509 PolarHBondContact O-N 3.03Š|
| 510 | L | 41.7 | Very low | 40.7 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.4 | 162.4 | -75.9 | 163.6 | 0 | 0 | 0 | 108.6 | V508 L512 | V508-L510 PolarHBondContact O-N 3.39Å; V508-L510 VanDerWaalsContact O-N 3.11Å; L510-L512 PolarHBondContact O-N 3.45Å |
| 511 | P | 38.3 | Very low | 40 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130 | 177.4 | 25.8 | -33.4 | 0 | 0 | 0 | 110.2 | Q513 | P511-Q513 PolarHBondContact O-N 2.64Š|
| 512 | L | 37.6 | Very low | 39.4 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.6 | -177.5 | -64.6 | 168.8 | 0 | 0 | 0 | 111 | L510 | L510-L512 PolarHBondContact O-N 3.45Š|
| 513 | Q | 44.2 | Very low | 38.5 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 136.2 | 161.3 | -69.8 | -170.8 | -14.2 | 0 | 0 | 109.3 | P511 | P511-Q513 PolarHBondContact O-N 2.64Š|
| 514 | P | 38.2 | Very low | 38 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 147 | 177.3 | 30.4 | -34.7 | 0 | 0 | 0 | 111.2 | T516 | P514-T516 PolarHBondContact O-N 3.47Š|
| 515 | P | 38.5 | Very low | 37.3 | Very low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73 | 122.4 | -179.5 | 29 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 516 | T | 35 | Very low | 36.5 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 129 | 168.6 | 22.2 | 0 | 0 | 0 | 0 | 111 | P514 R518 | P514-T516 PolarHBondContact O-N 3.47Å; T516-R518 PolarHBondContact O-N 3.24Å |
| 517 | L | 31.8 | Very low | 36.4 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -77.4 | 114.9 | -179.1 | -84.8 | 168 | 0 | 0 | 0 | 112.4 | ||||
| 518 | R | 37.5 | Very low | 35.7 | Very low | 228 Ų | 228 | 150 Ų | 150 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | 35.3 | 117.5 | 143.8 | -68 | -74 | 177.7 | 91.2 | -3.2 | 118.7 | T516 | T516-R518 PolarHBondContact O-N 3.24Š| ||
| 519 | A | 29.4 | Very low | 35.2 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 74% | 0.736 | 84% | 0.84 | S | S | * | * | trans | -108.6 | 143.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 520 | P | 41.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | trans | -98 | 107.4 | 178.5 | 34.4 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 521 | E | 32.9 | Very low | 34.8 | Very low | 194 Ų | 194 | 152.2 Ų | 152.2 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 155.8 | 164.7 | -66.4 | -159 | 89.3 | 0 | 0 | 111.1 | ||
| 522 | R | 36.5 | Very low | 34.3 | Very low | 242 Ų | 242 | 152.3 Ų | 152.3 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 151.7 | -151.6 | -46.9 | -169.9 | 86.2 | 163.7 | 5.8 | 112.6 | ||
| 523 | E | 32.4 | Very low | 34.7 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.7 | 175.9 | -56.1 | -176.1 | 126.8 | 0 | 0 | 111.4 | ||
| 524 | L | 31.8 | Very low | 34.1 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -134.5 | 103.6 | 162.1 | -164 | 73.3 | 0 | 0 | 0 | 107.9 | ||||
| 525 | G | 29.5 | Very low | 33.8 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | -74.6 | 156.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 526 | T | 28.4 | Very low | 33.5 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | trans | -115 | 110.2 | 168.2 | -61.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 527 | G | 30.4 | Very low | 33.3 | Very low | 72 Ų | 72 | 145.8 Ų | 145.8 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | -169.7 | 78 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 528 | E | 31.2 | Very low | 33.1 | Very low | 201 Ų | 201 | 142.9 Ų | 142.9 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | 52.9 | 129.1 | 165.3 | -59 | -167 | 89.9 | 0 | 0 | 120.7 | ||||
| 529 | Q | 32.7 | Very low | 33.7 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -99.8 | 171.7 | 159.3 | -120 | -156.5 | -18.6 | 0 | 0 | 107.7 | ||||
| 530 | P | 42.5 | Very low | 33.8 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | cis | -150.6 | -169.4 | 37.5 | 42 | -19.3 | 0 | 0 | 0 | 117.6 | ||||
| 531 | L | 30.2 | Very low | 33.2 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | 76.4 | 114.8 | 157.3 | -63.8 | 172.4 | 0 | 0 | 0 | 120.8 | ||||
| 532 | S | 28.1 | Very low | 33 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -153 | 140.4 | 137.8 | -78.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 533 | P | 46.2 | Very low | 32.8 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -104.4 | 153.2 | -166.2 | 38.8 | -36.2 | 0 | 0 | 0 | 116.6 | ||||
| 534 | T | 31.6 | Very low | 32.9 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | 40.5 | 103.8 | 131.5 | -47.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 535 | T | 32.3 | Very low | 32.9 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 28.3 | 121.4 | 144.6 | 59.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 536 | A | 32.6 | Very low | 33.3 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 65.9 | 129.9 | 134 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 537 | T | 29.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | -175.8 | 163.9 | 103.2 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 538 | S | 27.9 | Very low | 33.5 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -80.9 | -172.5 | 175.8 | -143.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 539 | P | 50.5 | Low | 33.5 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | cis | -144.5 | -175.5 | -0.3 | 43.7 | -23.9 | 0 | 0 | 0 | 118.4 | ||||
| 540 | Y | 31.1 | Very low | 33.3 | Very low | 232 Ų | 232 | 121.1 Ų | 121.1 | 91% | 0.91 | 79% | 0.785 | S | S | * | * | trans | 80.4 | 124.8 | 145.7 | -99.9 | -71.9 | 0 | 0 | 0 | 123.5 | ||||
| 541 | G | 28.4 | Very low | 32.8 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 87.7 | 128.6 | 153 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 542 | G | 30.1 | Very low | 33.7 | Very low | 84 Ų | 84 | 119 Ų | 119 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | cis | 157.7 | 127.8 | -7.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 543 | G | 31.9 | Very low | 33.9 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 157.4 | 123.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 544 | H | 33.7 | Very low | 33.4 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -71.8 | 142.8 | -172.1 | -65.2 | -108.9 | 0 | 0 | 0 | 114.7 | ||||
| 545 | A | 32.6 | Very low | 33.4 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -143.2 | 121.5 | 137.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 546 | L | 36.9 | Very low | 33.7 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -88.3 | 169.3 | 171.4 | -79.6 | 93.5 | 0 | 0 | 0 | 109.8 | ||||
| 547 | A | 33.3 | Very low | 33.8 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -175.3 | 170.7 | -29 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 548 | G | 29.4 | Very low | 33.8 | Very low | 63 Ų | 63 | 125.8 Ų | 125.8 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | 131 | 113.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 549 | Q | 31.3 | Very low | 34.2 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | 60.7 | 122.4 | 36.5 | -41.7 | -89.8 | -11.5 | 0 | 0 | 110.5 | ||||
| 550 | T | 29.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | cis | -162.2 | 168.9 | 5.6 | -1.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 551 | S | 31.7 | Very low | 33.9 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -66.3 | 175.2 | 158.1 | -141.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 552 | P | 48.3 | Very low | 34.3 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -147.9 | -175.7 | 15.9 | 45.2 | -24.5 | 0 | 0 | 0 | 118.1 | ||||
| 553 | K | 32.5 | Very low | 35.2 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 32 | 130.1 | 144 | -86.4 | -177 | 59.4 | 179 | 0 | 122.5 | ||||
| 554 | Q | 35.9 | Very low | 35.1 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | 85.5 | 146.5 | 125 | -174.7 | 177.1 | -20.4 | 0 | 0 | 120.2 | |||||
| 555 | E | 32.1 | Very low | 35.4 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 120.6 | 157.8 | 153.7 | -154 | 138.4 | 105.5 | 0 | 0 | 115.4 | ||||
| 556 | N | 37.4 | Very low | 36.4 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -137.4 | 125.7 | -159 | 170.9 | 42.3 | 0 | 0 | 0 | 112.5 | ||||
| 557 | G | 35.2 | Very low | 36.5 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | 88.7 | 132.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 558 | T | 30.6 | Very low | 37.5 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -159.3 | 148.7 | 147.5 | -79.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 559 | L | 36.1 | Very low | 38.1 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -108.3 | 140.1 | -170.1 | -176.6 | 153.9 | 0 | 0 | 0 | 110.5 | L561 | L559-L561 HydrophobicContact CD2-CD2 4.24Å; L559-L561 HydrophobicContact CD2-CG 4.13Å | ||
| 560 | A | 37.7 | Very low | 38.9 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -104.2 | 134.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 561 | L | 37.1 | Very low | 40.2 | Very low | 149 Ų | 149 | 129 Ų | 129 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -98.2 | 151.2 | -178 | -74 | 158.3 | 0 | 0 | 0 | 111.4 | L559 | L559-L561 HydrophobicContact CD2-CD2 4.24Å; L559-L561 HydrophobicContact CD2-CG 4.13Å | ||
| 562 | L | 36.7 | Very low | 40.7 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | -175 | 145.3 | 120 | -96.4 | 175.3 | 0 | 0 | 0 | 110.9 | |||||
| 563 | P | 49 | Very low | 40.5 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -117 | 164.6 | -174.9 | 41.3 | -32.6 | 0 | 0 | 0 | 116 | ||||
| 564 | G | 29.9 | Very low | 40.9 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -175.4 | 148.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 565 | A | 40.5 | Very low | 41.2 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -151 | -171.3 | -174 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 566 | P | 54.3 | Low | 41.7 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | cis | -137 | 163.6 | -10.4 | 41.7 | -25.4 | 0 | 0 | 0 | 116.6 | ||||
| 567 | D | 37.1 | Very low | 41.9 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | 51.6 | 175.2 | 149.3 | -119.7 | 29.3 | 0 | 0 | 0 | 120.9 | ||||
| 568 | P | 54.7 | Low | 42.3 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 84% | 0.837 | S | S | * | * | cis | -131.2 | -178 | -2.9 | 42.9 | -25.1 | 0 | 0 | 0 | 118.3 | ||||
| 569 | S | 42.6 | Very low | 43.1 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 83% | 0.831 | S | S | * | * | trans | -38.9 | 152.2 | -178.6 | 59.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 570 | Q | 47.5 | Very low | 43.6 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | 71.2 | 150.3 | 147.6 | -76.2 | -176.5 | 3.3 | 0 | 0 | 120.8 | ||||
| 571 | P | 57.6 | Low | 44.1 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | -130.3 | 160.2 | 117.6 | 38.6 | -33.1 | 0 | 0 | 0 | 114.5 | |||||
| 572 | L | 42.4 | Very low | 44.7 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 84% | 0.843 | S | S | * | * | trans | -91.5 | 140.4 | 162.8 | -78.4 | 160.4 | 0 | 0 | 0 | 110.4 | ||||
| 573 | C | 43.7 | Very low | 45.4 | Very low | 208 Ų | 208 | 130.4 Ų | 130.4 | 100% | 1.405 | 84% | 0.838 | S | S | * | * | trans | -164.7 | 0 | 142.8 | -92.9 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 573 of 573 residues in 275.9 ms
(Link to these results)