| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46 | Very low | 47.4 | Very low | 252 Ų | 252 | 150.2 Ų | 150.2 | 100% | 1.241 | 80% | 0.804 | S | S | * | * | 0 | 105.6 | 0 | -66.4 | 175 | 80.5 | 0 | 0 | 107.1 | |||||
| 2 | S | 47 | Very low | 47.2 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -141.5 | 131.1 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | G | 42.3 | Very low | 46.8 | Very low | 75 Ų | 75 | 148.7 Ų | 148.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -65.3 | 130.5 | -157.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R5 | G3-R5 PolarHBondContact O-N 2.81Š| ||
| 4 | V | 51.2 | Low | 46.6 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -76.5 | 103.8 | 159.1 | 177.5 | 0 | 0 | 0 | 0 | 106.7 | P6 | V4-P6 WeakPolarHBondContact O-CD 3.44Š| ||
| 5 | R | 53.3 | Low | 46.2 | Very low | 225 Ų | 225 | 146.5 Ų | 146.5 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | trans | -86.9 | 114.8 | 166.2 | -177.5 | 176.8 | -110.4 | 179.5 | -5.3 | 107 | G3 I7 | G3-R5 PolarHBondContact O-N 2.81Å; R5-I7 PolarHBondContact O-N 3.09Å | ||
| 6 | P | 46.2 | Very low | 45.9 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -68.9 | 121 | 166.7 | 27.6 | -28.8 | 0 | 0 | 0 | 107.5 | V4 S8 | V4-P6 WeakPolarHBondContact O-CD 3.44Å; P6-S8 PolarHBondContact O-N 2.85Å; P6-S8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | I | 45.5 | Very low | 45.5 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | -63 | 111.7 | 167.5 | -78.3 | 151.8 | 0 | 0 | 0 | 106.4 | R5 R9 | R5-I7 PolarHBondContact O-N 3.09Å; I7-R9 PolarHBondContact O-N 3.28Å | ||
| 8 | S | 45.4 | Very low | 45.1 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 50% | 0.503 | 77% | 0.769 | S | S | . | * | trans | -54.2 | 132.7 | 175.1 | 143.1 | 0 | 0 | 0 | 0 | 109.2 | P6 D10 | P6-S8 PolarHBondContact O-N 2.85Å; P6-S8 VanDerWaalsContact O-N 3.14Å; S8-D10 VanDerWaalsContact C-N 3.28Å; S8-D10 PolarHBondContact O-N 3.47Å; S8-D10 WeakPolarHBondContact OG-CB 3.32Å; S8-D10 PolarHBondContact OG-N 3.32Å; S8-D10 PolarHBondContact OG-OD2 3.36Å | ||
| 9 | R | 50.6 | Low | 44.9 | Very low | 243 Ų | 243 | 150.6 Ų | 150.6 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -93.6 | 43.4 | 176.3 | -81.5 | -175.7 | 167.8 | 161.7 | -3.9 | 110.8 | I7 | I7-R9 PolarHBondContact O-N 3.28Š| ||
| 10 | D | 44.8 | Very low | 44.8 | Very low | 108 Ų | 108 | 151.3 Ų | 151.3 | 58% | 0.578 | 78% | 0.775 | S | S | * | * | trans | -102.9 | 11.8 | -175.9 | -61.3 | -45.3 | 0 | 0 | 0 | 114.5 | S8 L12 M13 | S8-D10 VanDerWaalsContact C-N 3.28Å; S8-D10 PolarHBondContact O-N 3.47Å; S8-D10 WeakPolarHBondContact OG-CB 3.32Å; S8-D10 PolarHBondContact OG-N 3.32Å; S8-D10 PolarHBondContact OG-OD2 3.36Å; D10-L12 VanDerWaalsContact C-N 3.25Å; D10-L12 PolarHBondContact O-N 2.83Å; D10-M13 PolarHBondContact O-N 3.4Å | ||
| 11 | I | 49 | Very low | 44.7 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -14.3 | 179.5 | -56.5 | 175.2 | 0 | 0 | 0 | 112.2 | ||
| 12 | L | 45.7 | Very low | 44.5 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -2.8 | 177.6 | -71.6 | 179.1 | 0 | 0 | 0 | 114.4 | D10 | D10-L12 VanDerWaalsContact C-N 3.25Å; D10-L12 PolarHBondContact O-N 2.83Å |
| 13 | M | 42 | Very low | 44.1 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -103.6 | 1.6 | 178.1 | -114.1 | -166.5 | 89.9 | 0 | 0 | 114.3 | D10 | D10-M13 PolarHBondContact O-N 3.4Š|
| 14 | E | 42.8 | Very low | 44 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -97.5 | -21.1 | 177 | -109.4 | 166.5 | 167.3 | 0 | 0 | 113 | ||
| 15 | T | 41.2 | Very low | 43.4 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -87.5 | -12.8 | -179.9 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 16 | L | 41.6 | Very low | 42.8 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -94.9 | -6.4 | 176.7 | -65.4 | 180 | 0 | 0 | 0 | 113.8 | ||
| 17 | L | 38.9 | Very low | 42.5 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 58% | 0.576 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -104.3 | 9.2 | -177.2 | -90.5 | 177.6 | 0 | 0 | 0 | 114.5 | ||
| 18 | Y | 38.8 | Very low | 42.1 | Very low | 222 Ų | 222 | 150.6 Ų | 150.6 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -97.6 | -3 | 175.1 | -147.6 | -93.9 | 0 | 0 | 0 | 113.8 | ||
| 19 | E | 39.8 | Very low | 42.2 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -114 | 17.3 | -177.8 | -143 | 165.6 | -161.8 | 0 | 0 | 113.1 | ||
| 20 | Q | 43.5 | Very low | 41.3 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -122.3 | 13 | 177.5 | -161.6 | 151.7 | 42.3 | 0 | 0 | 113.9 | ||
| 21 | L | 43.4 | Very low | 41.1 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 71% | 0.707 | 77% | 0.766 | S | S | * | * | trans | -124.6 | 49.7 | -177.5 | -140.8 | 164 | 0 | 0 | 0 | 112.1 | ||||
| 22 | L | 41.2 | Very low | 40.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -120.1 | 95.9 | 153 | -126.7 | 77.5 | 0 | 0 | 0 | 107.4 | ||
| 23 | E | 39.8 | Very low | 40.3 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -34.2 | 139.8 | 174.7 | -145.2 | 90.2 | -175.7 | 0 | 0 | 113.6 | L25 | E23-L25 PolarHBondContact O-N 3.27Š| ||
| 24 | P | 39 | Very low | 40.5 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -65.1 | 122.5 | 165.9 | 27.2 | -31.5 | 0 | 0 | 0 | 109 | T26 | P24-T26 PolarHBondContact O-N 3.31Š| ||
| 25 | L | 38.8 | Very low | 40.6 | Very low | 165 Ų | 165 | 143 Ų | 143 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -61.9 | 102.5 | 169.9 | -170.8 | 74.5 | 0 | 0 | 0 | 108.1 | E23 M27 | E23-L25 PolarHBondContact O-N 3.27Å; L25-M27 PolarHBondContact O-N 2.84Å | ||
| 26 | T | 40.4 | Very low | 41 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -52 | 100.5 | 166.3 | 44.5 | 0 | 0 | 0 | 0 | 109.7 | P24 | P24-T26 PolarHBondContact O-N 3.31Š| ||
| 27 | M | 39.6 | Very low | 41 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -93 | 112.9 | 159.1 | -166 | 86.7 | -169.8 | 0 | 0 | 106.8 | L25 | L25-M27 PolarHBondContact O-N 2.84Š| ||
| 28 | E | 38.6 | Very low | 41.5 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -59.5 | 133 | -172.1 | -60.6 | 177 | 160 | 0 | 0 | 112.1 | L30 | E28-L30 PolarHBondContact O-N 3.2Å; E28-L30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | V | 46.3 | Very low | 41.8 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -69.7 | 102 | 165.3 | 171.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 30 | L | 33.2 | Very low | 42.1 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -97.8 | 90.1 | 162 | -168.7 | 75.8 | 0 | 0 | 0 | 108.3 | E28 | E28-L30 PolarHBondContact O-N 3.2Å; E28-L30 VanDerWaalsContact O-N 3.15Å | ||
| 31 | G | 39.6 | Very low | 42.7 | Very low | 51 Ų | 51 | 143.1 Ų | 143.1 | 53% | 0.526 | 78% | 0.783 | S | S | . | * | trans | -78.7 | 155.3 | 159 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 32 | V | 41.3 | Very low | 43.1 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 86.8 | 106.6 | -174.1 | -170 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 33 | T | 35.6 | Very low | 43.5 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | -162.1 | 140.4 | 57.1 | -24.4 | 0 | 0 | 0 | 0 | 108.6 | P35 | T33-P35 WeakPolarHBondContact O-CD 3.4Š| |||
| 34 | D | 47 | Very low | 44.1 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 139.6 | 161.7 | -155 | 2.3 | 0 | 0 | 0 | 109.2 | ||||
| 35 | P | 44.7 | Very low | 44.5 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | trans | -131.9 | 122.3 | 133.1 | 32.6 | -18.7 | 0 | 0 | 0 | 111 | T33 E37 | T33-P35 WeakPolarHBondContact O-CD 3.4Å; P35-E37 PolarHBondContact O-N 3.32Å | ||
| 36 | E | 50 | Low | 45.1 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -27.6 | 103.6 | 145.6 | -60.3 | -86.3 | 169.3 | 0 | 0 | 111 | ||||
| 37 | E | 41.3 | Very low | 45.6 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -126.2 | 110.8 | 156.7 | -75.4 | -168.8 | 170 | 0 | 0 | 107.7 | P35 L39 | P35-E37 PolarHBondContact O-N 3.32Å; E37-L39 PolarHBondContact O-N 3.44Å | ||
| 38 | D | 50.5 | Low | 46.1 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -36.1 | 105.7 | 170 | -68.5 | -56.6 | 0 | 0 | 0 | 111.5 | D40 | D38-D40 PolarHBondContact O-N 2.87Š| ||
| 39 | L | 44.3 | Very low | 46.7 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | trans | -86.1 | 100.2 | 168.6 | -67.5 | 177.9 | 0 | 0 | 0 | 108.3 | E37 | E37-L39 PolarHBondContact O-N 3.44Š| ||
| 40 | D | 46.6 | Very low | 46.9 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -49 | 149 | 164.4 | -111.7 | -26.8 | 0 | 0 | 0 | 110.8 | D38 M42 | D38-D40 PolarHBondContact O-N 2.87Å; D40-M42 PolarHBondContact O-N 3.36Å | ||
| 41 | P | 55 | Low | 47.9 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -80.8 | 127.9 | -165.3 | 31.2 | -31.1 | 0 | 0 | 0 | 111.7 | ||
| 42 | M | 52.3 | Low | 48.8 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 63.5 | 71.2 | 146 | -125.7 | -80.6 | -138.7 | 0 | 0 | 114.2 | D40 D44 | D40-M42 PolarHBondContact O-N 3.36Å; M42-D44 PolarHBondContact O-N 3.46Å | ||
| 43 | E | 50.1 | Low | 49.8 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -79.3 | 103.8 | 149.9 | -89 | -175.2 | 159.5 | 0 | 0 | 107.8 | F45 | E43-F45 PolarHBondContact O-N 2.89Š| ||
| 44 | D | 51.5 | Low | 51.5 | Low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | -6.1 | 84.6 | 161.9 | -67.9 | -39.7 | 0 | 0 | 0 | 115.3 | M42 D46 | M42-D44 PolarHBondContact O-N 3.46Å; D44-D46 VanDerWaalsContact C-N 3.26Å; D44-D46 PolarHBondContact O-N 3.22Å; D44-D46 VanDerWaalsContact O-N 3.07Å | ||
| 45 | F | 48.4 | Very low | 53 | Low | 197 Ų | 197 | 136.2 Ų | 136.2 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | -75.2 | 90.7 | 154.8 | -79.5 | -83.5 | 0 | 0 | 0 | 106.7 | E43 P47 | E43-F45 PolarHBondContact O-N 2.89Å; F45-P47 WeakPolarHBondContact O-CD 3.38Å; F45-P47 WeakPolarHBondContact O-CG 3.29Å | ||
| 46 | D | 50.2 | Low | 54.7 | Low | 102 Ų | 102 | 136.7 Ų | 136.7 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | trans | -63.7 | 104.3 | 176.7 | -134.7 | -18.3 | 0 | 0 | 0 | 108.1 | D44 L48 E49 | D44-D46 VanDerWaalsContact C-N 3.26Å; D44-D46 PolarHBondContact O-N 3.22Å; D44-D46 VanDerWaalsContact O-N 3.07Å; D46-L48 PolarHBondContact O-N 3.35Å; D46-E49 PolarHBondContact O-N 3.45Å; D46-E49 VanDerWaalsContact O-N 3.15Å | ||
| 47 | P | 52 | Low | 56.3 | Low | 95 Ų | 95 | 133.3 Ų | 133.3 | 62% | 0.617 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -66.5 | -13.9 | -172.4 | -18 | 33.4 | 0 | 0 | 0 | 112.4 | F45 | F45-P47 WeakPolarHBondContact O-CD 3.38Å; F45-P47 WeakPolarHBondContact O-CG 3.29Å |
| 48 | L | 50.4 | Low | 58.4 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.3 | -32.9 | 177.7 | -76.9 | 162.3 | 0 | 0 | 0 | 112.5 | D46 E52 | D46-L48 PolarHBondContact O-N 3.35Å; L48-E52 PolarHBondContact O-N 3.18Å |
| 49 | E | 50.2 | Low | 60.1 | Low | 152 Ų | 152 | 125.6 Ų | 125.6 | 71% | 0.71 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75 | -33.3 | -178.7 | -139.4 | 176.4 | -164 | 0 | 0 | 111.5 | D46 E52 D53 | D46-E49 PolarHBondContact O-N 3.45Å; D46-E49 VanDerWaalsContact O-N 3.15Å; E49-E52 PolarHBondContact O-N 3.49Å; E49-D53 PolarHBondContact O-N 2.9Å |
| 50 | C | 51.1 | Low | 62.1 | Low | 97 Ų | 97 | 125.1 Ų | 125.1 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.6 | -28.7 | 177.7 | -159.8 | 0 | 0 | 0 | 0 | 113 | S54 | C50-S54 WeakPolarHBondContact O-CB 3.35Å; C50-S54 PolarHBondContact O-N 3.35Å; C50-S54 VanDerWaalsContact O-N 3.09Å |
| 51 | M | 53.1 | Low | 64.2 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 64% | 0.64 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.3 | -38.9 | 174.1 | -81.7 | 176.8 | 60.2 | 0 | 0 | 112.2 | S54 D55 | M51-S54 WeakPolarHBondContact O-CB 3.4Å; M51-S54 PolarHBondContact O-N 3.02Å; M51-D55 PolarHBondContact O-N 3.39Å |
| 52 | E | 58.5 | Low | 65.9 | Low | 154 Ų | 154 | 120.7 Ų | 120.7 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.1 | -35.2 | -179.2 | -163.6 | 144.6 | -163.4 | 0 | 0 | 111.9 | L48 E49 M56 | L48-E52 PolarHBondContact O-N 3.18Å; E49-E52 PolarHBondContact O-N 3.49Å; E52-M56 PolarHBondContact O-N 2.97Å |
| 53 | D | 63.7 | Low | 67.4 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 58% | 0.578 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.8 | -31.7 | 169.4 | -96 | -0.3 | 0 | 0 | 0 | 112.7 | E49 D55 M56 L57 | E49-D53 PolarHBondContact O-N 2.9Å; D53-D55 VanDerWaalsContact C-N 3.33Å; D53-D55 PolarHBondContact O-N 3.39Å; D53-M56 WeakPolarHBondContact O-CB 3.47Å; D53-M56 PolarHBondContact O-N 2.88Å; D53-L57 WeakPolarHBondContact O-CB 3.45Å; D53-L57 WeakPolarHBondContact O-CG 3.32Å; D53-L57 PolarHBondContact O-N 3.37Å |
| 54 | S | 71.2 | Confident | 69.1 | Low | 66 Ų | 66 | 111.6 Ų | 111.6 | 46% | 0.462 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.8 | -37.8 | 178 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | C50 M51 L57 A58 | C50-S54 WeakPolarHBondContact O-CB 3.35Å; C50-S54 PolarHBondContact O-N 3.35Å; C50-S54 VanDerWaalsContact O-N 3.09Å; M51-S54 WeakPolarHBondContact O-CB 3.4Å; M51-S54 PolarHBondContact O-N 3.02Å; S54-L57 PolarHBondContact O-N 2.84Å; S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 3.15Å |
| 55 | D | 77.4 | Confident | 70.8 | Confident | 122 Ų | 122 | 106.4 Ų | 106.4 | 65% | 0.652 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.8 | -39.7 | 176.7 | -74.9 | -16.8 | 0 | 0 | 0 | 111.2 | M51 D53 L57 A58 L59 | M51-D55 PolarHBondContact O-N 3.39Å; D53-D55 VanDerWaalsContact C-N 3.33Å; D53-D55 PolarHBondContact O-N 3.39Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.41Å; D55-A58 PolarHBondContact O-N 3.03Å; D55-L59 WeakPolarHBondContact O-CB 3.29Å; D55-L59 PolarHBondContact O-N 3.47Å |
| 56 | M | 80.4 | Confident | 72.4 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 53% | 0.527 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 172.8 | -178.4 | 66.8 | 67.5 | 0 | 0 | 111.7 | E52 D53 L59 R60 | E52-M56 PolarHBondContact O-N 2.97Å; D53-M56 WeakPolarHBondContact O-CB 3.47Å; D53-M56 PolarHBondContact O-N 2.88Å; M56-L59 PolarHBondContact O-N 3.38Å; M56-R60 WeakPolarHBondContact O-CG 3.31Å; M56-R60 PolarHBondContact O-N 3.46Å |
| 57 | L | 83.8 | Confident | 74 | Confident | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -40.7 | 176 | -71.8 | 172.7 | 0 | 0 | 0 | 111.9 | D53 S54 D55 L59 R60 L61 | D53-L57 WeakPolarHBondContact O-CB 3.45Å; D53-L57 WeakPolarHBondContact O-CG 3.32Å; D53-L57 PolarHBondContact O-N 3.37Å; S54-L57 PolarHBondContact O-N 2.84Å; D55-L57 VanDerWaalsContact C-N 3.34Å; D55-L57 PolarHBondContact O-N 3.41Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 2.99Å; L57-R60 PolarHBondContact O-N 3.48Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.26Å; L57-L61 PolarHBondContact O-N 3.32Å |
| 58 | A | 86.4 | Confident | 75.5 | Confident | 54 Ų | 54 | 104.5 Ų | 104.5 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.5 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S54 D55 L61 A62 | S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 3.15Å; D55-A58 PolarHBondContact O-N 3.03Å; A58-L61 PolarHBondContact O-N 3.07Å; A58-A62 WeakPolarHBondContact O-CB 3.28Å; A58-A62 PolarHBondContact O-N 3.45Å |
| 59 | L | 85.1 | Confident | 77 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 176 | -164.9 | 152.1 | 0 | 0 | 0 | 111.4 | D55 M56 L57 L61 A62 C63 | D55-L59 WeakPolarHBondContact O-CB 3.29Å; D55-L59 PolarHBondContact O-N 3.47Å; M56-L59 PolarHBondContact O-N 3.38Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 2.99Å; L59-L61 PolarHBondContact O-N 3Å; L59-A62 PolarHBondContact O-N 3.47Å; L59-C63 PolarHBondContact O-N 3.05Å; L59-C63 PolarHBondContact O-SG 3.49Å |
| 60 | R | 87.8 | Confident | 78 | Confident | 162 Ų | 162 | 99.3 Ų | 99.3 | 61% | 0.611 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.6 | -43 | 174.5 | -78.3 | -178.8 | 176.1 | -121.1 | 3 | 112.4 | M56 L57 C63 I64 | M56-R60 WeakPolarHBondContact O-CG 3.31Å; M56-R60 PolarHBondContact O-N 3.46Å; L57-R60 PolarHBondContact O-N 3.48Å; R60-C63 PolarHBondContact O-N 3.43Å; R60-I64 WeakPolarHBondContact O-CD1 3.29Å; R60-I64 VanDerWaalsContact O-CG1 3.24Å; R60-I64 WeakPolarHBondContact O-CG1 3.36Å; R60-I64 PolarHBondContact O-N 2.9Å |
| 61 | L | 90.4 | Very high | 78.9 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.1 | -36.1 | 177.7 | -73.4 | 171.3 | 0 | 0 | 0 | 112.1 | L57 A58 L59 I64 G65 | L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.26Å; L57-L61 PolarHBondContact O-N 3.32Å; A58-L61 PolarHBondContact O-N 3.07Å; L59-L61 PolarHBondContact O-N 3Å; L61-I64 PolarHBondContact O-N 3.37Å; L61-G65 PolarHBondContact O-N 3.47Å |
| 62 | A | 90.9 | Very high | 79.5 | Confident | 54 Ų | 54 | 96.8 Ų | 96.8 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A58 L59 I64 G65 D66 | A58-A62 WeakPolarHBondContact O-CB 3.28Å; A58-A62 PolarHBondContact O-N 3.45Å; L59-A62 PolarHBondContact O-N 3.47Å; A62-I64 PolarHBondContact O-N 2.85Å; A62-G65 PolarHBondContact O-N 2.85Å; A62-G65 VanDerWaalsContact O-N 3.16Å; A62-D66 PolarHBondContact O-N 3.19Å |
| 63 | C | 83.6 | Confident | 79.8 | Confident | 69 Ų | 69 | 96.4 Ų | 96.4 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 175.5 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | L59 R60 G65 D66 E67 | L59-C63 PolarHBondContact O-N 3.05Å; L59-C63 PolarHBondContact O-SG 3.49Å; R60-C63 PolarHBondContact O-N 3.43Å; C63-G65 VanDerWaalsContact C-N 3.33Å; C63-D66 PolarHBondContact O-N 2.87Å; C63-E67 PolarHBondContact O-N 2.85Å |
| 64 | I | 85.3 | Confident | 79.7 | Confident | 82 Ų | 82 | 94.1 Ų | 94.1 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.5 | -67.2 | 163.8 | 0 | 0 | 0 | 110.4 | R60 L61 A62 E67 M68 | R60-I64 WeakPolarHBondContact O-CD1 3.29Å; R60-I64 VanDerWaalsContact O-CG1 3.24Å; R60-I64 WeakPolarHBondContact O-CG1 3.36Å; R60-I64 PolarHBondContact O-N 2.9Å; L61-I64 PolarHBondContact O-N 3.37Å; A62-I64 PolarHBondContact O-N 2.85Å; I64-E67 PolarHBondContact O-N 2.87Å; I64-M68 HydrophobicContact CG2-CE 3.97Å; I64-M68 HydrophobicContact CG2-CG 4.33Å; I64-M68 HydrophobicContact CG2-SD 4.17Å; I64-M68 WeakPolarHBondContact O-CB 3.46Å; I64-M68 VanDerWaalsContact O-CG 3.26Å; I64-M68 WeakPolarHBondContact O-CG 3.48Å; I64-M68 PolarHBondContact O-N 3.22Å |
| 65 | G | 87 | Confident | 79.2 | Confident | 30 Ų | 30 | 94.6 Ų | 94.6 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L61 A62 C63 M68 D69 | L61-G65 PolarHBondContact O-N 3.47Å; A62-G65 PolarHBondContact O-N 2.85Å; A62-G65 VanDerWaalsContact O-N 3.16Å; C63-G65 VanDerWaalsContact C-N 3.33Å; G65-M68 PolarHBondContact O-N 2.88Å; G65-D69 PolarHBondContact O-N 3.16Å |
| 66 | D | 82.5 | Confident | 78.3 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 61% | 0.61 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 176.8 | -70.8 | -20.4 | 0 | 0 | 0 | 111.7 | A62 C63 D69 V70 | A62-D66 PolarHBondContact O-N 3.19Å; C63-D66 PolarHBondContact O-N 2.87Å; D66-D69 PolarHBondContact O-N 2.8Å; D66-V70 WeakPolarHBondContact O-CG2 3.37Å; D66-V70 PolarHBondContact O-N 2.83Å; D66-V70 VanDerWaalsContact O-N 3.16Å |
| 67 | E | 82.5 | Confident | 77.2 | Confident | 136 Ų | 136 | 97.5 Ų | 97.5 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 176.6 | -172.6 | 174 | 175.9 | 0 | 0 | 111.8 | C63 I64 S71 | C63-E67 PolarHBondContact O-N 2.85Å; I64-E67 PolarHBondContact O-N 2.87Å; E67-S71 VanDerWaalsContact O-CB 3.25Å; E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.14Å; E67-S71 PolarHBondContact O-OG 2.8Å |
| 68 | M | 84.5 | Confident | 76 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 175.8 | -71.8 | -171.1 | -52.6 | 0 | 0 | 112.6 | I64 G65 V70 S71 L72 | I64-M68 HydrophobicContact CG2-CE 3.97Å; I64-M68 HydrophobicContact CG2-CG 4.33Å; I64-M68 HydrophobicContact CG2-SD 4.17Å; I64-M68 WeakPolarHBondContact O-CB 3.46Å; I64-M68 VanDerWaalsContact O-CG 3.26Å; I64-M68 WeakPolarHBondContact O-CG 3.48Å; I64-M68 PolarHBondContact O-N 3.22Å; G65-M68 PolarHBondContact O-N 2.88Å; M68-V70 VanDerWaalsContact C-N 3.35Å; M68-V70 PolarHBondContact O-N 3.49Å; M68-S71 PolarHBondContact O-N 3.38Å; M68-L72 WeakPolarHBondContact O-CB 3.05Å; M68-L72 VanDerWaalsContact O-CG 3.22Å; M68-L72 WeakPolarHBondContact O-CG 3.24Å; M68-L72 PolarHBondContact O-N 3.44Å |
| 69 | D | 81.3 | Confident | 74.6 | Confident | 69 Ų | 69 | 98.8 Ų | 98.8 | 37% | 0.369 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.6 | -177.4 | 53.7 | 0 | 0 | 0 | 111 | G65 D66 L72 R73 | G65-D69 PolarHBondContact O-N 3.16Å; D66-D69 PolarHBondContact O-N 2.8Å; D69-L72 PolarHBondContact O-N 2.79Å; D69-R73 VanDerWaalsContact CG-NE 3.32Å; D69-R73 WeakPolarHBondContact O-CB 3.22Å; D69-R73 VanDerWaalsContact O-CG 3.23Å; D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 2.82Å; D69-R73 IonicContact OD1-CZ 2.98Å; D69-R73 VanDerWaalsContact OD1-CZ 3.29Å; D69-R73 IonicContact OD1-NE 3.11Å; D69-R73 PolarHBondContact OD1-NE 2.82Å; D69-R73 IonicContact OD1-NH2 2.9Å; D69-R73 PolarHBondContact OD1-NH2 2.99Å; D69-R73 IonicContact OD2-CZ 2.84Å; D69-R73 IonicContact OD2-NE 3.64Å; D69-R73 PolarHBondContact OD2-NE 3.47Å; D69-R73 VanDerWaalsContact OD2-NE 3.11Å; D69-R73 IonicContact OD2-NH1 3.02Å; D69-R73 IonicContact OD2-NH2 3.29Å; D69-R73 PolarHBondContact OD2-NH2 3.44Å |
| 70 | V | 72 | Confident | 73.3 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 173.6 | 175.9 | 0 | 0 | 0 | 0 | 111 | D66 M68 L72 R73 A74 | D66-V70 WeakPolarHBondContact O-CG2 3.37Å; D66-V70 PolarHBondContact O-N 2.83Å; D66-V70 VanDerWaalsContact O-N 3.16Å; M68-V70 VanDerWaalsContact C-N 3.35Å; M68-V70 PolarHBondContact O-N 3.49Å; V70-L72 VanDerWaalsContact C-N 3.3Å; V70-L72 PolarHBondContact O-N 3.43Å; V70-R73 PolarHBondContact O-N 3.35Å; V70-A74 WeakPolarHBondContact O-CB 3.22Å; V70-A74 PolarHBondContact O-N 3.44Å |
| 71 | S | 68.8 | Low | 71.7 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -24.5 | -178 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | E67 M68 P75 | E67-S71 VanDerWaalsContact O-CB 3.25Å; E67-S71 WeakPolarHBondContact O-CB 3.43Å; E67-S71 PolarHBondContact O-N 3.14Å; E67-S71 PolarHBondContact O-OG 2.8Å; M68-S71 PolarHBondContact O-N 3.38Å; S71-P75 WeakPolarHBondContact O-CD 3.14Å; S71-P75 WeakPolarHBondContact O-CG 3.32Å |
| 72 | L | 66.5 | Low | 70.1 | Confident | 106 Ų | 106 | 93.7 Ų | 93.7 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -89.1 | -29.9 | 174.9 | -70 | 172.6 | 0 | 0 | 0 | 112.4 | M68 D69 V70 R76 | M68-L72 WeakPolarHBondContact O-CB 3.05Å; M68-L72 VanDerWaalsContact O-CG 3.22Å; M68-L72 WeakPolarHBondContact O-CG 3.24Å; M68-L72 PolarHBondContact O-N 3.44Å; D69-L72 PolarHBondContact O-N 2.79Å; V70-L72 VanDerWaalsContact C-N 3.3Å; V70-L72 PolarHBondContact O-N 3.43Å; L72-R76 WeakPolarHBondContact O-CD 3.32Å; L72-R76 WeakPolarHBondContact O-CG 3.23Å |
| 73 | R | 64.5 | Low | 68.6 | Low | 147 Ų | 147 | 95.5 Ų | 95.5 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -73.5 | -38.4 | 174.2 | -74.7 | 177.7 | -167.9 | -167.4 | 7.6 | 112.2 | D69 V70 R76 L77 | D69-R73 VanDerWaalsContact CG-NE 3.32Å; D69-R73 WeakPolarHBondContact O-CB 3.22Å; D69-R73 VanDerWaalsContact O-CG 3.23Å; D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 2.82Å; D69-R73 IonicContact OD1-CZ 2.98Å; D69-R73 VanDerWaalsContact OD1-CZ 3.29Å; D69-R73 IonicContact OD1-NE 3.11Å; D69-R73 PolarHBondContact OD1-NE 2.82Å; D69-R73 IonicContact OD1-NH2 2.9Å; D69-R73 PolarHBondContact OD1-NH2 2.99Å; D69-R73 IonicContact OD2-CZ 2.84Å; D69-R73 IonicContact OD2-NE 3.64Å; D69-R73 PolarHBondContact OD2-NE 3.47Å; D69-R73 VanDerWaalsContact OD2-NE 3.11Å; D69-R73 IonicContact OD2-NH1 3.02Å; D69-R73 IonicContact OD2-NH2 3.29Å; D69-R73 PolarHBondContact OD2-NH2 3.44Å; V70-R73 PolarHBondContact O-N 3.35Å; R73-R76 PolarHBondContact O-N 2.79Å; R73-L77 WeakPolarHBondContact O-CB 3.38Å; R73-L77 VanDerWaalsContact O-CG 3.28Å; R73-L77 WeakPolarHBondContact O-CG 3.32Å; R73-L77 PolarHBondContact O-N 3.48Å |
| 74 | A | 61.4 | Low | 67.4 | Low | 59 Ų | 59 | 94.9 Ų | 94.9 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V70 L77 A78 | V70-A74 WeakPolarHBondContact O-CB 3.22Å; V70-A74 PolarHBondContact O-N 3.44Å; A74-L77 PolarHBondContact O-N 3.37Å; A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 3.39Å |
| 75 | P | 60.9 | Low | 66.1 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 49% | 0.494 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 177.8 | -18.5 | 30.8 | 0 | 0 | 0 | 112.4 | S71 A78 Q79 | S71-P75 WeakPolarHBondContact O-CD 3.14Å; S71-P75 WeakPolarHBondContact O-CG 3.32Å; P75-A78 PolarHBondContact O-N 3.06Å; P75-Q79 WeakPolarHBondContact O-CB 3.35Å; P75-Q79 PolarHBondContact O-N 3.42Å |
| 76 | R | 59.8 | Low | 64.8 | Low | 176 Ų | 176 | 101.4 Ų | 101.4 | 66% | 0.664 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -37.6 | 179.1 | -69.1 | 179.8 | -178.7 | -170.5 | 2 | 111.8 | L72 R73 L80 | L72-R76 WeakPolarHBondContact O-CD 3.32Å; L72-R76 WeakPolarHBondContact O-CG 3.23Å; R73-R76 PolarHBondContact O-N 2.79Å; R76-L80 WeakPolarHBondContact O-CB 3.4Å; R76-L80 VanDerWaalsContact O-CG 3.27Å; R76-L80 WeakPolarHBondContact O-CG 3.32Å; R76-L80 PolarHBondContact O-N 2.87Å |
| 77 | L | 56.6 | Low | 63.5 | Low | 114 Ų | 114 | 99.9 Ų | 99.9 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.4 | -38.7 | 174.3 | -70.1 | 173.6 | 0 | 0 | 0 | 112 | R73 A74 L80 S81 | R73-L77 WeakPolarHBondContact O-CB 3.38Å; R73-L77 VanDerWaalsContact O-CG 3.28Å; R73-L77 WeakPolarHBondContact O-CG 3.32Å; R73-L77 PolarHBondContact O-N 3.48Å; A74-L77 PolarHBondContact O-N 3.37Å; L77-L80 PolarHBondContact O-N 3.15Å; L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.38Å; L77-S81 PolarHBondContact O-N 2.71Å; L77-S81 PolarHBondContact O-OG 2.85Å |
| 78 | A | 59.3 | Low | 62.3 | Low | 52 Ų | 52 | 99.7 Ų | 99.7 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A74 P75 S81 E82 | A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 3.39Å; P75-A78 PolarHBondContact O-N 3.06Å; A78-S81 PolarHBondContact O-N 3.3Å; A78-S81 PolarHBondContact O-OG 2.9Å; A78-E82 WeakPolarHBondContact O-CB 3.16Å; A78-E82 PolarHBondContact O-N 2.78Å |
| 79 | Q | 57.1 | Low | 61 | Low | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.5 | -37 | -179.7 | -161.5 | 171.4 | 16.5 | 0 | 0 | 112.8 | P75 E82 V83 | P75-Q79 WeakPolarHBondContact O-CB 3.35Å; P75-Q79 PolarHBondContact O-N 3.42Å; Q79-E82 PolarHBondContact O-N 3.43Å; Q79-V83 VanDerWaalsContact O-CG2 3.3Å; Q79-V83 WeakPolarHBondContact O-CG2 3.17Å; Q79-V83 PolarHBondContact O-N 3.43Å |
| 80 | L | 57.1 | Low | 59.7 | Low | 118 Ų | 118 | 98.4 Ų | 98.4 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67 | -37.9 | 171.9 | -75.6 | 171.5 | 0 | 0 | 0 | 112.2 | R76 L77 E82 A84 | R76-L80 WeakPolarHBondContact O-CB 3.4Å; R76-L80 VanDerWaalsContact O-CG 3.27Å; R76-L80 WeakPolarHBondContact O-CG 3.32Å; R76-L80 PolarHBondContact O-N 2.87Å; L77-L80 PolarHBondContact O-N 3.15Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-A84 WeakPolarHBondContact O-CB 3.35Å; L80-A84 PolarHBondContact O-N 2.91Å |
| 81 | S | 54.4 | Low | 58.8 | Low | 52 Ų | 52 | 96.5 Ų | 96.5 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 177.5 | 78.7 | 0 | 0 | 0 | 0 | 112.2 | L77 A78 M85 | L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.38Å; L77-S81 PolarHBondContact O-N 2.71Å; L77-S81 PolarHBondContact O-OG 2.85Å; A78-S81 PolarHBondContact O-N 3.3Å; A78-S81 PolarHBondContact O-OG 2.9Å; S81-M85 VanDerWaalsContact O-CB 3.32Å; S81-M85 WeakPolarHBondContact O-CB 3.34Å; S81-M85 WeakPolarHBondContact O-CG 3.07Å; S81-M85 PolarHBondContact O-N 3.01Å |
| 82 | E | 56.1 | Low | 58 | Low | 112 Ų | 112 | 98.7 Ų | 98.7 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.6 | -48.4 | 178.1 | -172.2 | 172.4 | -172.6 | 0 | 0 | 110.5 | A78 Q79 L80 A84 M85 H86 | A78-E82 WeakPolarHBondContact O-CB 3.16Å; A78-E82 PolarHBondContact O-N 2.78Å; Q79-E82 PolarHBondContact O-N 3.43Å; L80-E82 VanDerWaalsContact C-N 3.34Å; E82-A84 VanDerWaalsContact C-N 3.35Å; E82-A84 PolarHBondContact O-N 3.4Å; E82-M85 PolarHBondContact O-N 2.88Å; E82-H86 PolarHBondContact O-CD2 3.42Å; E82-H86 PolarHBondContact O-N 3.35Å |
| 83 | V | 59.3 | Low | 57.5 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.7 | -39.4 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | Q79 H86 S87 | Q79-V83 VanDerWaalsContact O-CG2 3.3Å; Q79-V83 WeakPolarHBondContact O-CG2 3.17Å; Q79-V83 PolarHBondContact O-N 3.43Å; V83-H86 PolarHBondContact O-N 2.84Å; V83-S87 WeakPolarHBondContact O-CB 3.34Å; V83-S87 PolarHBondContact O-N 3.18Å |
| 84 | A | 59.3 | Low | 56.9 | Low | 56 Ų | 56 | 99.9 Ų | 99.9 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L80 E82 S87 L88 | L80-A84 WeakPolarHBondContact O-CB 3.35Å; L80-A84 PolarHBondContact O-N 2.91Å; E82-A84 VanDerWaalsContact C-N 3.35Å; E82-A84 PolarHBondContact O-N 3.4Å; A84-S87 PolarHBondContact O-N 3.29Å; A84-L88 WeakPolarHBondContact O-CB 3.14Å; A84-L88 PolarHBondContact O-N 3.17Å |
| 85 | M | 57.5 | Low | 56.6 | Low | 130 Ų | 130 | 103.4 Ų | 103.4 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | 175.4 | -83.4 | -169.5 | -108.4 | 0 | 0 | 112.1 | S81 E82 G89 | S81-M85 VanDerWaalsContact O-CB 3.32Å; S81-M85 WeakPolarHBondContact O-CB 3.34Å; S81-M85 WeakPolarHBondContact O-CG 3.07Å; S81-M85 PolarHBondContact O-N 3.01Å; E82-M85 PolarHBondContact O-N 2.88Å; M85-G89 WeakPolarHBondContact O-CA 3.27Å; M85-G89 PolarHBondContact O-N 2.68Å |
| 86 | H | 58.6 | Low | 56.4 | Low | 118 Ų | 118 | 101.4 Ų | 101.4 | 55% | 0.546 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 176.9 | -73.2 | -58.9 | 0 | 0 | 0 | 112.5 | E82 V83 L90 | E82-H86 PolarHBondContact O-CD2 3.42Å; E82-H86 PolarHBondContact O-N 3.35Å; V83-H86 PolarHBondContact O-N 2.84Å; H86-L90 WeakPolarHBondContact O-CB 3.37Å; H86-L90 PolarHBondContact O-N 3.37Å; H86-L90 VanDerWaalsContact O-N 3.15Å |
| 87 | S | 56.1 | Low | 56.3 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 57% | 0.573 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -76.6 | -45.5 | 179.8 | -177.4 | 0 | 0 | 0 | 0 | 113 | V83 A84 A91 | V83-S87 WeakPolarHBondContact O-CB 3.34Å; V83-S87 PolarHBondContact O-N 3.18Å; A84-S87 PolarHBondContact O-N 3.29Å; S87-A91 WeakPolarHBondContact O-CB 2.95Å; S87-A91 PolarHBondContact O-N 3.44Å |
| 88 | L | 58.4 | Low | 56.6 | Low | 133 Ų | 133 | 94.9 Ų | 94.9 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.4 | -40.7 | 177.3 | -162.7 | 95 | 0 | 0 | 0 | 110.7 | A84 A91 F92 | A84-L88 WeakPolarHBondContact O-CB 3.14Å; A84-L88 PolarHBondContact O-N 3.17Å; L88-A91 PolarHBondContact O-N 2.91Å; L88-F92 WeakPolarHBondContact O-CB 3.25Å; L88-F92 PolarHBondContact O-N 3.12Å |
| 89 | G | 55.9 | Low | 56.9 | Low | 34 Ų | 34 | 95.9 Ų | 95.9 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M85 I93 | M85-G89 WeakPolarHBondContact O-CA 3.27Å; M85-G89 PolarHBondContact O-N 2.68Å; G89-I93 VanDerWaalsContact O-CB 3.3Å; G89-I93 WeakPolarHBondContact O-CB 3.43Å; G89-I93 WeakPolarHBondContact O-CG1 3.3Å; G89-I93 PolarHBondContact O-N 3.27Å; G89-I93 VanDerWaalsContact O-N 3.16Å |
| 90 | L | 55.2 | Low | 57.2 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.2 | -40.3 | 176.9 | -94.3 | 157.6 | 0 | 0 | 0 | 113.3 | H86 Y94 | H86-L90 WeakPolarHBondContact O-CB 3.37Å; H86-L90 PolarHBondContact O-N 3.37Å; H86-L90 VanDerWaalsContact O-N 3.15Å; L90-Y94 HydrophobicContact CD2-CD2 4.42Å; L90-Y94 PolarHBondContact O-N 2.81Å; L90-Y94 VanDerWaalsContact O-N 3.12Å |
| 91 | A | 53.2 | Low | 57.8 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S87 L88 D95 | S87-A91 WeakPolarHBondContact O-CB 2.95Å; S87-A91 PolarHBondContact O-N 3.44Å; L88-A91 PolarHBondContact O-N 2.91Å; A91-D95 PolarHBondContact O-N 3.26Å |
| 92 | F | 51 | Low | 58.5 | Low | 112 Ų | 112 | 95.1 Ų | 95.1 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 176.6 | -173.4 | -101.1 | 0 | 0 | 0 | 112.1 | L88 Q96 | L88-F92 WeakPolarHBondContact O-CB 3.25Å; L88-F92 PolarHBondContact O-N 3.12Å; F92-Q96 VanDerWaalsContact CE2-CD 3.49Å; F92-Q96 VanDerWaalsContact CZ-CD 3.5Å; F92-Q96 WeakPolarHBondContact O-CB 3.28Å; F92-Q96 PolarHBondContact O-N 2.7Å; F92-Q96 VanDerWaalsContact O-N 3.17Å |
| 93 | I | 55.5 | Low | 59.2 | Low | 98 Ų | 98 | 92.7 Ų | 92.7 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.7 | -34.7 | 179.8 | -65.3 | -76.1 | 0 | 0 | 0 | 111.7 | G89 T97 | G89-I93 VanDerWaalsContact O-CB 3.3Å; G89-I93 WeakPolarHBondContact O-CB 3.43Å; G89-I93 WeakPolarHBondContact O-CG1 3.3Å; G89-I93 PolarHBondContact O-N 3.27Å; G89-I93 VanDerWaalsContact O-N 3.16Å; I93-T97 HydrophobicContact CG2-CG2 4.23Å; I93-T97 VanDerWaalsContact O-CB 3.28Å; I93-T97 WeakPolarHBondContact O-CB 3.3Å; I93-T97 WeakPolarHBondContact O-CG2 3.24Å; I93-T97 PolarHBondContact O-OG1 2.81Å |
| 94 | Y | 53 | Low | 59.6 | Low | 181 Ų | 181 | 93.2 Ų | 93.2 | 71% | 0.71 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -80.7 | -37.4 | -178.5 | -105.5 | -84.8 | 0 | 0 | 0 | 114.2 | L90 | L90-Y94 HydrophobicContact CD2-CD2 4.42Å; L90-Y94 PolarHBondContact O-N 2.81Å; L90-Y94 VanDerWaalsContact O-N 3.12Å |
| 95 | D | 55 | Low | 60.3 | Low | 133 Ų | 133 | 97.2 Ų | 97.2 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -84.7 | -33.9 | -177.4 | -163.6 | 52.8 | 0 | 0 | 0 | 112.2 | A91 | A91-D95 PolarHBondContact O-N 3.26Å |
| 96 | Q | 55.5 | Low | 61 | Low | 33 Ų | 33 | 95 Ų | 95 | 15% | 0.154 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -90.2 | -19.3 | -173 | -144.5 | -173.9 | 42 | 0 | 0 | 114 | F92 D98 I100 L157 | F92-Q96 VanDerWaalsContact CE2-CD 3.49Å; F92-Q96 VanDerWaalsContact CZ-CD 3.5Å; F92-Q96 WeakPolarHBondContact O-CB 3.28Å; F92-Q96 PolarHBondContact O-N 2.7Å; F92-Q96 VanDerWaalsContact O-N 3.17Å; Q96-D98 PolarHBondContact O-N 2.96Å; Q96-I100 HydrophobicContact CB-CD1 4.09Å; Q96-I100 HydrophobicContact CG-CD1 3.63Å; Q96-I100 HydrophobicContact CG-CG1 4.05Å; Q96-I100 VanDerWaalsContact O-CB 3.25Å; Q96-I100 WeakPolarHBondContact O-CB 3.3Å; Q96-I100 WeakPolarHBondContact O-CD1 3.26Å; Q96-I100 WeakPolarHBondContact O-CG1 3.08Å; Q96-I100 PolarHBondContact O-N 3.4Å; Q96-L157 HydrophobicContact CG-CD2 4.39Å |
| 97 | T | 57.6 | Low | 61.7 | Low | 54 Ų | 54 | 93 Ų | 93 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.2 | -28.9 | -175.7 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | I93 R101 | I93-T97 HydrophobicContact CG2-CG2 4.23Å; I93-T97 VanDerWaalsContact O-CB 3.28Å; I93-T97 WeakPolarHBondContact O-CB 3.3Å; I93-T97 WeakPolarHBondContact O-CG2 3.24Å; I93-T97 PolarHBondContact O-OG1 2.81Å; T97-R101 WeakPolarHBondContact O-CB 3.34Å; T97-R101 PolarHBondContact O-N 3.37Å |
| 98 | D | 63 | Low | 62.5 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -77.2 | -45.4 | 175.4 | -76.6 | -25.1 | 0 | 0 | 0 | 111.2 | Q96 I100 R101 D102 | Q96-D98 PolarHBondContact O-N 2.96Å; D98-I100 PolarHBondContact O-N 2.86Å; D98-R101 PolarHBondContact O-N 3.47Å; D98-D102 PolarHBondContact O-N 3.07Å |
| 99 | D | 65.3 | Low | 63.2 | Low | 74 Ų | 74 | 91.9 Ų | 91.9 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 174.5 | -99.6 | 0.1 | 0 | 0 | 0 | 111.4 | V103 K160 | D99-V103 VanDerWaalsContact O-CG2 3.32Å; D99-V103 WeakPolarHBondContact O-CG2 3.43Å; D99-V103 PolarHBondContact O-N 3.4Å; D99-K160 IonicContact OD2-NZ 3.66Å; D99-K160 PolarHBondContact OD2-NZ 3.32Å |
| 100 | I | 64.5 | Low | 64 | Low | 47 Ų | 47 | 92.2 Ų | 92.2 | 24% | 0.241 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176 | -70.7 | 164.1 | 0 | 0 | 0 | 111.2 | Q96 D98 D102 V103 L104 L157 | Q96-I100 HydrophobicContact CB-CD1 4.09Å; Q96-I100 HydrophobicContact CG-CD1 3.63Å; Q96-I100 HydrophobicContact CG-CG1 4.05Å; Q96-I100 VanDerWaalsContact O-CB 3.25Å; Q96-I100 WeakPolarHBondContact O-CB 3.3Å; Q96-I100 WeakPolarHBondContact O-CD1 3.26Å; Q96-I100 WeakPolarHBondContact O-CG1 3.08Å; Q96-I100 PolarHBondContact O-N 3.4Å; D98-I100 PolarHBondContact O-N 2.86Å; I100-D102 VanDerWaalsContact C-N 3.33Å; I100-D102 PolarHBondContact O-N 2.97Å; I100-V103 PolarHBondContact O-N 3.19Å; I100-L104 HydrophobicContact CG2-CD1 3.69Å; I100-L104 HydrophobicContact CG2-CG 4.05Å; I100-L104 WeakPolarHBondContact O-CB 3.27Å; I100-L104 VanDerWaalsContact O-CG 3.27Å; I100-L104 WeakPolarHBondContact O-CG 3.49Å; I100-L104 PolarHBondContact O-N 2.8Å; I100-L157 HydrophobicContact CD1-CD2 4.01Å; I100-L157 HydrophobicContact CG1-CD1 4.16Å; I100-L157 HydrophobicContact CG1-CD2 3.36Å; I100-L157 HydrophobicContact CG1-CG 4.41Å |
| 101 | R | 68.8 | Low | 64.8 | Low | 146 Ų | 146 | 92.2 Ų | 92.2 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | -177.9 | 180 | -176.7 | -59.3 | -156.6 | 1.7 | 111.6 | T97 D98 L104 R105 | T97-R101 WeakPolarHBondContact O-CB 3.34Å; T97-R101 PolarHBondContact O-N 3.37Å; D98-R101 PolarHBondContact O-N 3.47Å; R101-L104 PolarHBondContact O-N 3.41Å; R101-R105 VanDerWaalsContact O-CB 3.26Å; R101-R105 WeakPolarHBondContact O-CB 3.42Å; R101-R105 PolarHBondContact O-N 2.87Å |
| 102 | D | 70.4 | Confident | 65.8 | Low | 91 Ų | 91 | 91.9 Ų | 91.9 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.6 | -37.3 | 177.6 | -76.9 | -21.9 | 0 | 0 | 0 | 112.2 | D98 I100 R105 S106 | D98-D102 PolarHBondContact O-N 3.07Å; I100-D102 VanDerWaalsContact C-N 3.33Å; I100-D102 PolarHBondContact O-N 2.97Å; D102-R105 PolarHBondContact O-N 2.87Å; D102-R105 IonicContact OD1-NH1 2.85Å; D102-S106 PolarHBondContact O-N 2.87Å |
| 103 | V | 71 | Confident | 66.8 | Low | 62 Ų | 62 | 90.2 Ų | 90.2 | 38% | 0.376 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 171.7 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | D99 I100 R105 S106 F107 | D99-V103 VanDerWaalsContact O-CG2 3.32Å; D99-V103 WeakPolarHBondContact O-CG2 3.43Å; D99-V103 PolarHBondContact O-N 3.4Å; I100-V103 PolarHBondContact O-N 3.19Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 3.08Å; V103-S106 PolarHBondContact O-N 2.83Å; V103-F107 WeakPolarHBondContact O-CB 3.42Å; V103-F107 PolarHBondContact O-N 2.83Å |
| 104 | L | 67.8 | Low | 67.5 | Low | 104 Ų | 104 | 87.3 Ų | 87.3 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 176.2 | -73.6 | 176.3 | 0 | 0 | 0 | 111.9 | I100 R101 F107 M108 | I100-L104 HydrophobicContact CG2-CD1 3.69Å; I100-L104 HydrophobicContact CG2-CG 4.05Å; I100-L104 WeakPolarHBondContact O-CB 3.27Å; I100-L104 VanDerWaalsContact O-CG 3.27Å; I100-L104 WeakPolarHBondContact O-CG 3.49Å; I100-L104 PolarHBondContact O-N 2.8Å; R101-L104 PolarHBondContact O-N 3.41Å; L104-F107 PolarHBondContact O-N 2.9Å; L104-M108 VanDerWaalsContact O-CB 3.28Å; L104-M108 WeakPolarHBondContact O-CB 3.41Å; L104-M108 PolarHBondContact O-N 2.97Å |
| 105 | R | 73.8 | Confident | 68.5 | Low | 139 Ų | 139 | 85.5 Ų | 85.5 | 53% | 0.525 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 174.2 | 179.1 | -179 | -92.2 | 154.9 | -11.8 | 110.9 | R101 D102 V103 F107 M108 D109 | R101-R105 VanDerWaalsContact O-CB 3.26Å; R101-R105 WeakPolarHBondContact O-CB 3.42Å; R101-R105 PolarHBondContact O-N 2.87Å; D102-R105 PolarHBondContact O-N 2.87Å; D102-R105 IonicContact OD1-NH1 2.85Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 3.08Å; R105-F107 VanDerWaalsContact C-N 3.27Å; R105-F107 PolarHBondContact O-N 2.85Å; R105-M108 PolarHBondContact O-N 3.16Å; R105-M108 VanDerWaalsContact O-N 3.16Å; R105-D109 PolarHBondContact O-N 3.35Å |
| 106 | S | 71.1 | Confident | 69.6 | Low | 83 Ų | 83 | 84 Ų | 84 | 58% | 0.58 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.6 | -37.5 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | D102 V103 G110 | D102-S106 PolarHBondContact O-N 2.87Å; V103-S106 PolarHBondContact O-N 2.83Å; S106-G110 PolarHBondContact O-N 3.46Å |
| 107 | F | 73.4 | Confident | 70.3 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 34% | 0.338 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 174.7 | 175.1 | -97.3 | 0 | 0 | 0 | 111.7 | V103 L104 R105 D109 G110 F111 L146 A149 | V103-F107 WeakPolarHBondContact O-CB 3.42Å; V103-F107 PolarHBondContact O-N 2.83Å; L104-F107 PolarHBondContact O-N 2.9Å; R105-F107 VanDerWaalsContact C-N 3.27Å; R105-F107 PolarHBondContact O-N 2.85Å; F107-D109 VanDerWaalsContact C-N 3.32Å; F107-D109 PolarHBondContact O-N 3.02Å; F107-G110 PolarHBondContact O-N 3.15Å; F107-F111 PolarHBondContact O-N 2.87Å; F107-L146 HydrophobicContact CE2-CD1 3.72Å; F107-L146 HydrophobicContact CE2-CG 4.41Å; F107-L146 HydrophobicContact CZ-CD1 3.67Å; F107-L146 HydrophobicContact CZ-CG 4.46Å; F107-A149 HydrophobicContact CD2-CB 4.43Å |
| 108 | M | 72.6 | Confident | 70.9 | Confident | 107 Ų | 107 | 87.1 Ų | 87.1 | 53% | 0.527 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 177 | -173.6 | 171.4 | 56.8 | 0 | 0 | 111.5 | L104 R105 F111 T112 | L104-M108 VanDerWaalsContact O-CB 3.28Å; L104-M108 WeakPolarHBondContact O-CB 3.41Å; L104-M108 PolarHBondContact O-N 2.97Å; R105-M108 PolarHBondContact O-N 3.16Å; R105-M108 VanDerWaalsContact O-N 3.16Å; M108-F111 CarbonylContact O-C 3.6Å; M108-F111 WeakPolarHBondContact O-CB 3.36Å; M108-F111 PolarHBondContact O-N 3.49Å; M108-T112 WeakPolarHBondContact O-CG2 3.48Å; M108-T112 PolarHBondContact O-N 3.06Å; M108-T112 PolarHBondContact O-OG1 2.98Å |
| 109 | D | 73.6 | Confident | 71.3 | Confident | 85 Ų | 85 | 87.3 Ų | 87.3 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 174.8 | -70.4 | -21.8 | 0 | 0 | 0 | 112.5 | R105 F107 F111 T112 T113 | R105-D109 PolarHBondContact O-N 3.35Å; F107-D109 VanDerWaalsContact C-N 3.32Å; F107-D109 PolarHBondContact O-N 3.02Å; D109-F111 VanDerWaalsContact C-N 3.34Å; D109-T112 WeakPolarHBondContact CA-OG1 3.33Å; D109-T112 PolarHBondContact O-OG1 3.46Å; D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.44Å; D109-T113 VanDerWaalsContact O-N 3.09Å; D109-T113 PolarHBondContact O-OG1 2.88Å |
| 110 | G | 72.3 | Confident | 71.5 | Confident | 41 Ų | 41 | 91.6 Ų | 91.6 | 42% | 0.423 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | S106 F107 T113 L114 | S106-G110 PolarHBondContact O-N 3.46Å; F107-G110 PolarHBondContact O-N 3.15Å; G110-T113 PolarHBondContact O-N 3.43Å; G110-L114 VanDerWaalsContact O-CB 3.29Å; G110-L114 WeakPolarHBondContact O-CB 3.34Å; G110-L114 PolarHBondContact O-N 2.88Å |
| 111 | F | 73.1 | Confident | 71.5 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 178.1 | -174.8 | -98.4 | 0 | 0 | 0 | 112.8 | F107 M108 D109 L114 R115 | F107-F111 PolarHBondContact O-N 2.87Å; M108-F111 CarbonylContact O-C 3.6Å; M108-F111 WeakPolarHBondContact O-CB 3.36Å; M108-F111 PolarHBondContact O-N 3.49Å; D109-F111 VanDerWaalsContact C-N 3.34Å; F111-L114 PolarHBondContact O-N 3.07Å; F111-R115 VanDerWaalsContact O-CB 3.22Å; F111-R115 WeakPolarHBondContact O-CB 3.36Å; F111-R115 PolarHBondContact O-N 2.88Å |
| 112 | T | 72.9 | Confident | 71.2 | Confident | 54 Ų | 54 | 97 Ų | 97 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 175 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | M108 D109 L114 R115 E116 | M108-T112 WeakPolarHBondContact O-CG2 3.48Å; M108-T112 PolarHBondContact O-N 3.06Å; M108-T112 PolarHBondContact O-OG1 2.98Å; D109-T112 WeakPolarHBondContact CA-OG1 3.33Å; D109-T112 PolarHBondContact O-OG1 3.46Å; T112-L114 VanDerWaalsContact C-N 3.29Å; T112-L114 PolarHBondContact O-N 3.44Å; T112-R115 WeakPolarHBondContact O-CB 2.94Å; T112-R115 PolarHBondContact O-N 2.71Å; T112-E116 WeakPolarHBondContact O-CG 3.3Å; T112-E116 PolarHBondContact O-N 3.49Å |
| 113 | T | 72.4 | Confident | 70.9 | Confident | 77 Ų | 77 | 103 Ų | 103 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 174.3 | -56 | 0 | 0 | 0 | 0 | 111.4 | D109 G110 E116 N117 | D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.44Å; D109-T113 VanDerWaalsContact O-N 3.09Å; D109-T113 PolarHBondContact O-OG1 2.88Å; G110-T113 PolarHBondContact O-N 3.43Å; T113-E116 PolarHBondContact O-N 2.94Å; T113-N117 PolarHBondContact O-N 3.3Å; T113-N117 PolarHBondContact O-ND2 2.9Å |
| 114 | L | 70 | Confident | 70.2 | Confident | 37 Ų | 37 | 103.6 Ų | 103.6 | 19% | 0.194 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 175.8 | 177.8 | 55.7 | 0 | 0 | 0 | 111.9 | G110 F111 T112 E116 N117 I118 L142 | G110-L114 VanDerWaalsContact O-CB 3.29Å; G110-L114 WeakPolarHBondContact O-CB 3.34Å; G110-L114 PolarHBondContact O-N 2.88Å; F111-L114 PolarHBondContact O-N 3.07Å; T112-L114 VanDerWaalsContact C-N 3.29Å; T112-L114 PolarHBondContact O-N 3.44Å; L114-E116 VanDerWaalsContact C-N 3.25Å; L114-E116 PolarHBondContact O-N 3.5Å; L114-N117 PolarHBondContact O-N 2.95Å; L114-N117 VanDerWaalsContact O-N 3.15Å; L114-I118 HydrophobicContact CD1-CD1 3.88Å; L114-I118 HydrophobicContact CD1-CG1 4.07Å; L114-I118 HydrophobicContact CD2-CD1 4.41Å; L114-I118 HydrophobicContact CG-CD1 3.78Å; L114-I118 HydrophobicContact CG-CG1 4.4Å; L114-I118 WeakPolarHBondContact O-CB 3.1Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3.22Å; L114-L142 HydrophobicContact CD1-CD1 3.61Å; L114-L142 HydrophobicContact CD1-CD2 3.17Å; L114-L142 HydrophobicContact CD1-CG 3.92Å; L114-L142 HydrophobicContact CD2-CD2 4.05Å; L114-L142 HydrophobicContact CG-CD2 4.23Å |
| 115 | R | 74.9 | Confident | 69.4 | Low | 142 Ų | 142 | 104.2 Ų | 104.2 | 54% | 0.536 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -39.2 | 176.8 | 177.4 | -179.1 | 173.7 | -128.1 | 1.4 | 111.2 | F111 T112 M119 | F111-R115 VanDerWaalsContact O-CB 3.22Å; F111-R115 WeakPolarHBondContact O-CB 3.36Å; F111-R115 PolarHBondContact O-N 2.88Å; T112-R115 WeakPolarHBondContact O-CB 2.94Å; T112-R115 PolarHBondContact O-N 2.71Å; R115-M119 HydrophobicContact CG-CE 4.43Å; R115-M119 VanDerWaalsContact O-CB 3.32Å; R115-M119 WeakPolarHBondContact O-CB 3.13Å; R115-M119 WeakPolarHBondContact O-CG 3.13Å; R115-M119 PolarHBondContact O-N 3.11Å |
| 116 | E | 77.4 | Confident | 68.3 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 174.8 | -76 | -177.1 | -169.1 | 0 | 0 | 112.2 | T112 T113 L114 M119 R120 | T112-E116 WeakPolarHBondContact O-CG 3.3Å; T112-E116 PolarHBondContact O-N 3.49Å; T113-E116 PolarHBondContact O-N 2.94Å; L114-E116 VanDerWaalsContact C-N 3.25Å; L114-E116 PolarHBondContact O-N 3.5Å; E116-M119 PolarHBondContact O-N 2.93Å; E116-R120 WeakPolarHBondContact O-CB 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.32Å; E116-R120 PolarHBondContact O-N 3.34Å; E116-R120 IonicContact OE2-NH2 3.87Å |
| 117 | N | 71 | Confident | 67.3 | Low | 87 Ų | 87 | 106 Ų | 106 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.1 | -76.7 | -34.3 | 0 | 0 | 0 | 111.8 | T113 L114 R120 F121 | T113-N117 PolarHBondContact O-N 3.3Å; T113-N117 PolarHBondContact O-ND2 2.9Å; L114-N117 PolarHBondContact O-N 2.95Å; L114-N117 VanDerWaalsContact O-N 3.15Å; N117-R120 PolarHBondContact O-N 3.44Å; N117-F121 WeakPolarHBondContact O-CB 3.33Å; N117-F121 PolarHBondContact O-N 2.95Å |
| 118 | I | 69 | Low | 66.2 | Low | 65 Ų | 65 | 113.1 Ų | 113.1 | 33% | 0.333 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63 | -50.1 | 173.5 | -69.7 | 172.3 | 0 | 0 | 0 | 109.9 | L114 R120 F121 W122 L142 | L114-I118 HydrophobicContact CD1-CD1 3.88Å; L114-I118 HydrophobicContact CD1-CG1 4.07Å; L114-I118 HydrophobicContact CD2-CD1 4.41Å; L114-I118 HydrophobicContact CG-CD1 3.78Å; L114-I118 HydrophobicContact CG-CG1 4.4Å; L114-I118 WeakPolarHBondContact O-CB 3.1Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3.22Å; I118-R120 VanDerWaalsContact C-N 3.35Å; I118-R120 PolarHBondContact O-N 3.02Å; I118-F121 WeakPolarHBondContact O-CA 3.27Å; I118-F121 VanDerWaalsContact O-CB 3.29Å; I118-F121 WeakPolarHBondContact O-CB 3.42Å; I118-F121 PolarHBondContact O-N 3.32Å; I118-W122 PolarHBondContact O-N 2.83Å; I118-L142 HydrophobicContact CD1-CD1 4.42Å |
| 119 | M | 71.8 | Confident | 65.2 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 50% | 0.502 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.2 | -42.5 | 177.7 | -85.7 | -168.8 | -179.2 | 0 | 0 | 112.5 | R115 E116 F121 W122 R123 | R115-M119 HydrophobicContact CG-CE 4.43Å; R115-M119 VanDerWaalsContact O-CB 3.32Å; R115-M119 WeakPolarHBondContact O-CB 3.13Å; R115-M119 WeakPolarHBondContact O-CG 3.13Å; R115-M119 PolarHBondContact O-N 3.11Å; E116-M119 PolarHBondContact O-N 2.93Å; M119-F121 VanDerWaalsContact C-N 3.27Å; M119-F121 PolarHBondContact O-N 3.49Å; M119-W122 PolarHBondContact O-N 3.37Å; M119-R123 WeakPolarHBondContact O-CB 3.3Å; M119-R123 PolarHBondContact O-N 2.94Å |
| 120 | R | 70.9 | Confident | 64.1 | Low | 164 Ų | 164 | 119.6 Ų | 119.6 | 62% | 0.619 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.8 | -38.3 | 174.8 | -76.7 | 178.9 | -175 | 147.5 | 7.3 | 111.4 | E116 N117 I118 R123 S124 | E116-R120 WeakPolarHBondContact O-CB 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.32Å; E116-R120 PolarHBondContact O-N 3.34Å; E116-R120 IonicContact OE2-NH2 3.87Å; N117-R120 PolarHBondContact O-N 3.44Å; I118-R120 VanDerWaalsContact C-N 3.35Å; I118-R120 PolarHBondContact O-N 3.02Å; R120-R123 PolarHBondContact O-N 2.85Å; R120-S124 PolarHBondContact O-N 3Å |
| 121 | F | 63.2 | Low | 63.4 | Low | 103 Ų | 103 | 122.5 Ų | 122.5 | 45% | 0.452 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.3 | -47.7 | 175.6 | -175.2 | -96.7 | 0 | 0 | 0 | 112.1 | N117 I118 M119 R123 S124 Q135 | N117-F121 WeakPolarHBondContact O-CB 3.33Å; N117-F121 PolarHBondContact O-N 2.95Å; I118-F121 WeakPolarHBondContact O-CA 3.27Å; I118-F121 VanDerWaalsContact O-CB 3.29Å; I118-F121 WeakPolarHBondContact O-CB 3.42Å; I118-F121 PolarHBondContact O-N 3.32Å; M119-F121 VanDerWaalsContact C-N 3.27Å; M119-F121 PolarHBondContact O-N 3.49Å; F121-R123 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 2.92Å; F121-S124 WeakPolarHBondContact O-CB 3.37Å; F121-S124 PolarHBondContact O-N 3.38Å; F121-Q135 HydrophobicContact CE1-CG 4.19Å; F121-Q135 HydrophobicContact CZ-CG 3.67Å |
| 122 | W | 62.5 | Low | 62.9 | Low | 203 Ų | 203 | 118.8 Ų | 118.8 | 77% | 0.769 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.7 | -26.4 | 176.7 | -71 | 102.9 | 0 | 0 | 0 | 113.8 | I118 M119 S124 | I118-W122 PolarHBondContact O-N 2.83Å; M119-W122 PolarHBondContact O-N 3.37Å; W122-S124 VanDerWaalsContact C-N 3.25Å; W122-S124 PolarHBondContact O-N 3.4Å |
| 123 | R | 64.9 | Low | 62.2 | Low | 219 Ų | 219 | 126.7 Ų | 126.7 | 83% | 0.826 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -11.6 | 176.7 | -164.3 | 174.1 | -172 | 172.3 | 2.5 | 112.6 | M119 R120 F121 P125 | M119-R123 WeakPolarHBondContact O-CB 3.3Å; M119-R123 PolarHBondContact O-N 2.94Å; R120-R123 PolarHBondContact O-N 2.85Å; F121-R123 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 2.92Å; R123-P125 VanDerWaalsContact O-CD 3.29Å; R123-P125 WeakPolarHBondContact O-CD 3.45Å |
| 124 | S | 56.1 | Low | 61.7 | Low | 73 Ų | 73 | 129.6 Ų | 129.6 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -71.4 | 113.2 | 170.5 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | R120 F121 W122 N126 | R120-S124 PolarHBondContact O-N 3Å; F121-S124 WeakPolarHBondContact O-CB 3.37Å; F121-S124 PolarHBondContact O-N 3.38Å; W122-S124 VanDerWaalsContact C-N 3.25Å; W122-S124 PolarHBondContact O-N 3.4Å; S124-N126 VanDerWaalsContact C-N 3.31Å; S124-N126 PolarHBondContact O-N 2.91Å |
| 125 | P | 51.6 | Low | 61.5 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 61% | 0.607 | S | S | * | * | trans | -85.2 | 75.7 | -176 | 34.3 | -29.5 | 0 | 0 | 0 | 108.9 | R123 | R123-P125 VanDerWaalsContact O-CD 3.29Å; R123-P125 WeakPolarHBondContact O-CD 3.45Å | ||
| 126 | N | 50.5 | Low | 61.2 | Low | 131 Ų | 131 | 127.9 Ų | 127.9 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | -119.1 | 86.7 | 169.3 | -122.6 | -15.3 | 0 | 0 | 0 | 110.1 | S124 R128 | S124-N126 VanDerWaalsContact C-N 3.31Å; S124-N126 PolarHBondContact O-N 2.91Å; N126-R128 PolarHBondContact O-N 3.16Å | ||
| 127 | P | 48.5 | Very low | 61 | Low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 30.1 | -169.1 | 35.6 | -36.7 | 0 | 0 | 0 | 113.1 | ||
| 128 | R | 50.4 | Low | 61.3 | Low | 227 Ų | 227 | 128 Ų | 128 | 86% | 0.857 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | -12 | -166.6 | -128 | 178.4 | -166.9 | 176.5 | 3.8 | 117.5 | N126 | N126-R128 PolarHBondContact O-N 3.16Š|
| 129 | S | 51.5 | Low | 61.5 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 57% | 0.566 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -121.5 | 96.3 | 176.1 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | V131 | S129-V131 PolarHBondContact O-N 3.49Š|
| 130 | W | 51.2 | Low | 61.8 | Low | 246 Ų | 246 | 127.9 Ų | 127.9 | 93% | 0.932 | 62% | 0.619 | S | S | * | * | trans | -41.5 | 123.9 | 164.6 | -70.6 | 48.2 | 0 | 0 | 0 | 109.7 | S132 | W130-S132 PolarHBondContact O-N 3.38Š| ||
| 131 | V | 57.3 | Low | 62.1 | Low | 102 Ų | 102 | 125.1 Ų | 125.1 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 13.3 | 82.2 | 169.5 | -167.7 | 0 | 0 | 0 | 0 | 113.3 | S129 Q135 V136 | S129-V131 PolarHBondContact O-N 3.49Å; V131-Q135 HydrophobicContact CG1-CB 4.46Å; V131-V136 HydrophobicContact CG1-CG2 3.65Å |
| 132 | S | 63 | Low | 62.9 | Low | 33 Ų | 33 | 123.1 Ų | 123.1 | 23% | 0.231 | 61% | 0.609 | C | S | . | * | trans | -61.4 | 147.1 | 175.6 | 86.4 | 0 | 0 | 0 | 0 | 108.8 | W130 E134 Q135 V136 | W130-S132 PolarHBondContact O-N 3.38Å; S132-E134 PolarHBondContact O-N 2.74Å; S132-E134 WeakPolarHBondContact OG-CB 3.28Å; S132-E134 PolarHBondContact OG-N 3.26Å; S132-E134 PolarHBondContact OG-OE2 2.9Å; S132-Q135 WeakPolarHBondContact O-CB 3.36Å; S132-Q135 PolarHBondContact O-N 3.29Å; S132-V136 PolarHBondContact O-N 3.16Å | ||
| 133 | R | 57.7 | Low | 63.7 | Low | 220 Ų | 220 | 118.5 Ų | 118.5 | 83% | 0.83 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -47.4 | -32.6 | 173.8 | -109.6 | 178.6 | 179.8 | 173 | -0.5 | 112.2 | Q135 V136 L137 | R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.89Å; R133-V136 PolarHBondContact O-N 2.82Å; R133-L137 WeakPolarHBondContact O-CB 3.49Å; R133-L137 VanDerWaalsContact O-CG 3.3Å; R133-L137 WeakPolarHBondContact O-CG 3.36Å; R133-L137 PolarHBondContact O-N 2.93Å |
| 134 | E | 62.8 | Low | 64.4 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.4 | -32.4 | 178.6 | -56.3 | 163.7 | 158.9 | 0 | 0 | 112.2 | S132 L137 L138 | S132-E134 PolarHBondContact O-N 2.74Å; S132-E134 WeakPolarHBondContact OG-CB 3.28Å; S132-E134 PolarHBondContact OG-N 3.26Å; S132-E134 PolarHBondContact OG-OE2 2.9Å; E134-L137 PolarHBondContact O-N 2.94Å; E134-L138 VanDerWaalsContact O-CB 3.32Å; E134-L138 WeakPolarHBondContact O-CB 3.38Å; E134-L138 WeakPolarHBondContact O-CG 3.36Å; E134-L138 PolarHBondContact O-N 3.37Å |
| 135 | Q | 64.9 | Low | 65.5 | Low | 58 Ų | 58 | 111.6 Ų | 111.6 | 27% | 0.271 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.7 | -40.6 | 175.3 | -61.7 | -178.2 | 11.4 | 0 | 0 | 111.9 | F121 V131 S132 R133 L138 A139 | F121-Q135 HydrophobicContact CE1-CG 4.19Å; F121-Q135 HydrophobicContact CZ-CG 3.67Å; V131-Q135 HydrophobicContact CG1-CB 4.46Å; S132-Q135 WeakPolarHBondContact O-CB 3.36Å; S132-Q135 PolarHBondContact O-N 3.29Å; R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.89Å; Q135-L138 PolarHBondContact O-N 3.4Å; Q135-A139 WeakPolarHBondContact O-CB 3.23Å; Q135-A139 PolarHBondContact O-N 3.47Å |
| 136 | V | 68.9 | Low | 66.7 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -43 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 110 | V131 S132 R133 A139 L140 | V131-V136 HydrophobicContact CG1-CG2 3.65Å; S132-V136 PolarHBondContact O-N 3.16Å; R133-V136 PolarHBondContact O-N 2.82Å; V136-A139 PolarHBondContact O-N 3.44Å; V136-L140 VanDerWaalsContact O-CB 3.27Å; V136-L140 WeakPolarHBondContact O-CB 3.34Å; V136-L140 PolarHBondContact O-N 3.43Å |
| 137 | L | 73.8 | Confident | 68.1 | Low | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 175.9 | -73.3 | 169.7 | 0 | 0 | 0 | 112.2 | R133 E134 L140 L141 | R133-L137 WeakPolarHBondContact O-CB 3.49Å; R133-L137 VanDerWaalsContact O-CG 3.3Å; R133-L137 WeakPolarHBondContact O-CG 3.36Å; R133-L137 PolarHBondContact O-N 2.93Å; E134-L137 PolarHBondContact O-N 2.94Å; L137-L140 PolarHBondContact O-N 2.9Å; L137-L141 VanDerWaalsContact O-CB 3.32Å; L137-L141 WeakPolarHBondContact O-CB 3.22Å; L137-L141 VanDerWaalsContact O-CG 3.22Å; L137-L141 WeakPolarHBondContact O-CG 2.85Å; L137-L141 PolarHBondContact O-N 3.03Å |
| 138 | L | 75.8 | Confident | 69.5 | Low | 94 Ų | 94 | 106 Ų | 106 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 174.7 | -85.4 | 163.2 | 0 | 0 | 0 | 111.5 | E134 Q135 L140 L141 L142 | E134-L138 VanDerWaalsContact O-CB 3.32Å; E134-L138 WeakPolarHBondContact O-CB 3.38Å; E134-L138 WeakPolarHBondContact O-CG 3.36Å; E134-L138 PolarHBondContact O-N 3.37Å; Q135-L138 PolarHBondContact O-N 3.4Å; L138-L140 VanDerWaalsContact C-N 3.28Å; L138-L140 PolarHBondContact O-N 3.02Å; L138-L141 PolarHBondContact O-N 3.37Å; L138-L142 WeakPolarHBondContact O-CB 3.17Å; L138-L142 WeakPolarHBondContact O-CG 3.43Å; L138-L142 PolarHBondContact O-N 3.29Å |
| 139 | A | 73.8 | Confident | 70.6 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q135 V136 L142 L143 | Q135-A139 WeakPolarHBondContact O-CB 3.23Å; Q135-A139 PolarHBondContact O-N 3.47Å; V136-A139 PolarHBondContact O-N 3.44Å; A139-L142 PolarHBondContact O-N 3.34Å; A139-L143 WeakPolarHBondContact O-CB 3.26Å; A139-L143 PolarHBondContact O-N 2.98Å |
| 140 | L | 77.5 | Confident | 71.7 | Confident | 106 Ų | 106 | 98.2 Ų | 98.2 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 175.9 | -161.1 | 88.4 | 0 | 0 | 0 | 111.8 | V136 L137 L138 L142 L143 L144 | V136-L140 VanDerWaalsContact O-CB 3.27Å; V136-L140 WeakPolarHBondContact O-CB 3.34Å; V136-L140 PolarHBondContact O-N 3.43Å; L137-L140 PolarHBondContact O-N 2.9Å; L138-L140 VanDerWaalsContact C-N 3.28Å; L138-L140 PolarHBondContact O-N 3.02Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L143 PolarHBondContact O-N 3.47Å; L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 PolarHBondContact O-N 2.88Å |
| 141 | L | 78.4 | Confident | 72.6 | Confident | 105 Ų | 105 | 91.9 Ų | 91.9 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.9 | -77.4 | 169 | 0 | 0 | 0 | 111.6 | L137 L138 L144 A145 | L137-L141 VanDerWaalsContact O-CB 3.32Å; L137-L141 WeakPolarHBondContact O-CB 3.22Å; L137-L141 VanDerWaalsContact O-CG 3.22Å; L137-L141 WeakPolarHBondContact O-CG 2.85Å; L137-L141 PolarHBondContact O-N 3.03Å; L138-L141 PolarHBondContact O-N 3.37Å; L141-L144 PolarHBondContact O-N 2.86Å; L141-A145 VanDerWaalsContact O-CB 3.23Å; L141-A145 WeakPolarHBondContact O-CB 3.33Å; L141-A145 PolarHBondContact O-N 2.99Å |
| 142 | L | 78.9 | Confident | 73.1 | Confident | 61 Ų | 61 | 90.5 Ų | 90.5 | 32% | 0.319 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 175.4 | -72.5 | 170.8 | 0 | 0 | 0 | 112 | L114 I118 L138 A139 L140 L144 A145 L146 | L114-L142 HydrophobicContact CD1-CD1 3.61Å; L114-L142 HydrophobicContact CD1-CD2 3.17Å; L114-L142 HydrophobicContact CD1-CG 3.92Å; L114-L142 HydrophobicContact CD2-CD2 4.05Å; L114-L142 HydrophobicContact CG-CD2 4.23Å; I118-L142 HydrophobicContact CD1-CD1 4.42Å; L138-L142 WeakPolarHBondContact O-CB 3.17Å; L138-L142 WeakPolarHBondContact O-CG 3.43Å; L138-L142 PolarHBondContact O-N 3.29Å; A139-L142 PolarHBondContact O-N 3.34Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-A145 PolarHBondContact O-N 3.31Å; L142-L146 WeakPolarHBondContact O-CB 3.41Å; L142-L146 PolarHBondContact O-N 3.23Å |
| 143 | L | 79.5 | Confident | 73.3 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 172.4 | -173.8 | 76.3 | 0 | 0 | 0 | 110.7 | A139 L140 L146 L147 | A139-L143 WeakPolarHBondContact O-CB 3.26Å; A139-L143 PolarHBondContact O-N 2.98Å; L140-L143 PolarHBondContact O-N 3.47Å; L143-L146 WeakPolarHBondContact O-CB 3.25Å; L143-L146 PolarHBondContact O-N 3.45Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 PolarHBondContact O-N 3.35Å |
| 144 | L | 80.1 | Confident | 73.4 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.4 | -175.3 | 68.5 | 0 | 0 | 0 | 111.5 | L140 L141 L142 L147 L148 | L140-L144 VanDerWaalsContact O-CB 3.24Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 PolarHBondContact O-N 2.88Å; L141-L144 PolarHBondContact O-N 2.86Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L144-L147 PolarHBondContact O-N 3.32Å; L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.49Å; L144-L148 PolarHBondContact O-N 3.48Å |
| 145 | A | 78.4 | Confident | 73.1 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 44% | 0.438 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L141 L142 L147 L148 A149 | L141-A145 VanDerWaalsContact O-CB 3.23Å; L141-A145 WeakPolarHBondContact O-CB 3.33Å; L141-A145 PolarHBondContact O-N 2.99Å; L142-A145 PolarHBondContact O-N 3.31Å; A145-L147 VanDerWaalsContact C-N 3.33Å; A145-L148 PolarHBondContact O-N 3.15Å; A145-A149 VanDerWaalsContact O-CB 3.32Å; A145-A149 WeakPolarHBondContact O-CB 3.24Å; A145-A149 PolarHBondContact O-N 2.85Å |
| 146 | L | 77.8 | Confident | 72.7 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 30% | 0.304 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 173.1 | -166.2 | 87.5 | 0 | 0 | 0 | 110.8 | F107 L142 L143 A149 L150 | F107-L146 HydrophobicContact CE2-CD1 3.72Å; F107-L146 HydrophobicContact CE2-CG 4.41Å; F107-L146 HydrophobicContact CZ-CD1 3.67Å; F107-L146 HydrophobicContact CZ-CG 4.46Å; L142-L146 WeakPolarHBondContact O-CB 3.41Å; L142-L146 PolarHBondContact O-N 3.23Å; L143-L146 WeakPolarHBondContact O-CB 3.25Å; L143-L146 PolarHBondContact O-N 3.45Å; L146-A149 PolarHBondContact O-N 3.4Å; L146-L150 HydrophobicContact CD2-CD1 4.26Å; L146-L150 HydrophobicContact CG-CD1 4.12Å; L146-L150 WeakPolarHBondContact O-CB 3.45Å; L146-L150 WeakPolarHBondContact O-CD1 3.41Å; L146-L150 WeakPolarHBondContact O-CG 3.36Å; L146-L150 PolarHBondContact O-N 3.09Å |
| 147 | L | 79.1 | Confident | 72 | Confident | 101 Ų | 101 | 81 Ų | 81 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 179.8 | -152.3 | 119.2 | 0 | 0 | 0 | 111.3 | L143 L144 A145 L150 L151 | L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 PolarHBondContact O-N 3.35Å; L144-L147 PolarHBondContact O-N 3.32Å; A145-L147 VanDerWaalsContact C-N 3.33Å; L147-L150 PolarHBondContact O-N 2.86Å; L147-L151 VanDerWaalsContact O-CB 3.26Å; L147-L151 WeakPolarHBondContact O-CB 3.44Å; L147-L151 PolarHBondContact O-N 3.31Å |
| 148 | L | 79.3 | Confident | 71 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 173.5 | -75.5 | 166.8 | 0 | 0 | 0 | 112.1 | L144 A145 L151 S152 | L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.49Å; L144-L148 PolarHBondContact O-N 3.48Å; A145-L148 PolarHBondContact O-N 3.15Å; L148-L151 PolarHBondContact O-N 3.5Å; L148-S152 VanDerWaalsContact O-CB 3.24Å; L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 2.95Å; L148-S152 PolarHBondContact O-OG 3.43Å |
| 149 | A | 73.6 | Confident | 69.9 | Low | 42 Ų | 42 | 86 Ų | 86 | 35% | 0.347 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F107 A145 L146 S152 G153 | F107-A149 HydrophobicContact CD2-CB 4.43Å; A145-A149 VanDerWaalsContact O-CB 3.32Å; A145-A149 WeakPolarHBondContact O-CB 3.24Å; A145-A149 PolarHBondContact O-N 2.85Å; L146-A149 PolarHBondContact O-N 3.4Å; A149-S152 WeakPolarHBondContact CA-OG 3.44Å; A149-S152 PolarHBondContact O-OG 3.44Å; A149-G153 PolarHBondContact O-N 3.46Å |
| 150 | L | 73.4 | Confident | 68.6 | Low | 102 Ų | 102 | 91.8 Ų | 91.8 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 172.8 | -77.9 | 156.9 | 0 | 0 | 0 | 111.7 | L146 L147 G154 | L146-L150 HydrophobicContact CD2-CD1 4.26Å; L146-L150 HydrophobicContact CG-CD1 4.12Å; L146-L150 WeakPolarHBondContact O-CB 3.45Å; L146-L150 WeakPolarHBondContact O-CD1 3.41Å; L146-L150 WeakPolarHBondContact O-CG 3.36Å; L146-L150 PolarHBondContact O-N 3.09Å; L147-L150 PolarHBondContact O-N 2.86Å; L150-G154 WeakPolarHBondContact O-CA 3.2Å; L150-G154 PolarHBondContact O-N 3.17Å |
| 151 | L | 70.3 | Confident | 68.1 | Low | 114 Ų | 114 | 91.1 Ų | 91.1 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.5 | -43.4 | 179.4 | -150 | 84.2 | 0 | 0 | 0 | 111.2 | L147 L148 L155 | L147-L151 VanDerWaalsContact O-CB 3.26Å; L147-L151 WeakPolarHBondContact O-CB 3.44Å; L147-L151 PolarHBondContact O-N 3.31Å; L148-L151 PolarHBondContact O-N 3.5Å; L151-L155 WeakPolarHBondContact O-CB 3.48Å; L151-L155 PolarHBondContact O-N 3.29Å |
| 152 | S | 68.6 | Low | 67.6 | Low | 72 Ų | 72 | 90.4 Ų | 90.4 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 178.2 | 54.3 | 0 | 0 | 0 | 0 | 112 | L148 A149 H156 | L148-S152 VanDerWaalsContact O-CB 3.24Å; L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 2.95Å; L148-S152 PolarHBondContact O-OG 3.43Å; A149-S152 WeakPolarHBondContact CA-OG 3.44Å; A149-S152 PolarHBondContact O-OG 3.44Å; S152-H156 WeakPolarHBondContact O-CB 3.41Å; S152-H156 PolarHBondContact O-N 3.02Å |
| 153 | G | 65.7 | Low | 67 | Low | 17 Ų | 17 | 92 Ų | 92 | 18% | 0.175 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A149 H156 L157 | A149-G153 PolarHBondContact O-N 3.46Å; G153-H156 PolarHBondContact O-N 3.01Å; G153-L157 WeakPolarHBondContact O-CG 3.5Å; G153-L157 PolarHBondContact O-N 3.07Å |
| 154 | G | 61 | Low | 66.2 | Low | 39 Ų | 39 | 91.1 Ų | 91.1 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L150 L157 L158 | L150-G154 WeakPolarHBondContact O-CA 3.2Å; L150-G154 PolarHBondContact O-N 3.17Å; G154-L157 PolarHBondContact O-N 3.15Å; G154-L158 WeakPolarHBondContact O-CB 2.97Å; G154-L158 PolarHBondContact O-N 3.05Å; G154-L158 VanDerWaalsContact O-N 3.08Å |
| 155 | L | 57.2 | Low | 65.4 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 176 | -159.2 | 79.5 | 0 | 0 | 0 | 111.3 | L151 L157 L158 L159 | L151-L155 WeakPolarHBondContact O-CB 3.48Å; L151-L155 PolarHBondContact O-N 3.29Å; L155-L157 VanDerWaalsContact C-N 3.27Å; L155-L157 PolarHBondContact O-N 2.92Å; L155-L158 PolarHBondContact O-N 3.36Å; L155-L159 VanDerWaalsContact O-CB 3.3Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 PolarHBondContact O-N 3.49Å |
| 156 | H | 55 | Low | 64.5 | Low | 114 Ų | 114 | 93.5 Ų | 93.5 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -30.3 | 175.7 | -170.3 | -84.5 | 0 | 0 | 0 | 112.6 | S152 G153 | S152-H156 WeakPolarHBondContact O-CB 3.41Å; S152-H156 PolarHBondContact O-N 3.02Å; G153-H156 PolarHBondContact O-N 3.01Å |
| 157 | L | 54.2 | Low | 63.6 | Low | 61 Ų | 61 | 96 Ų | 96 | 32% | 0.319 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -80.5 | -22.3 | 173.2 | -71.3 | 168.2 | 0 | 0 | 0 | 113.8 | Q96 I100 G153 G154 L155 | Q96-L157 HydrophobicContact CG-CD2 4.39Å; I100-L157 HydrophobicContact CD1-CD2 4.01Å; I100-L157 HydrophobicContact CG1-CD1 4.16Å; I100-L157 HydrophobicContact CG1-CD2 3.36Å; I100-L157 HydrophobicContact CG1-CG 4.41Å; G153-L157 WeakPolarHBondContact O-CG 3.5Å; G153-L157 PolarHBondContact O-N 3.07Å; G154-L157 PolarHBondContact O-N 3.15Å; L155-L157 VanDerWaalsContact C-N 3.27Å; L155-L157 PolarHBondContact O-N 2.92Å |
| 158 | L | 52.5 | Low | 62.4 | Low | 144 Ų | 144 | 95.6 Ų | 95.6 | 75% | 0.754 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -90.6 | -24.6 | -179.7 | -158.4 | 91.1 | 0 | 0 | 0 | 113 | G154 L155 | G154-L158 WeakPolarHBondContact O-CB 2.97Å; G154-L158 PolarHBondContact O-N 3.05Å; G154-L158 VanDerWaalsContact O-N 3.08Å; L155-L158 PolarHBondContact O-N 3.36Å |
| 159 | L | 54.5 | Low | 61 | Low | 151 Ų | 151 | 95.3 Ų | 95.3 | 79% | 0.791 | 52% | 0.524 | S | S | * | . | trans | -97.7 | 4.2 | -174.5 | -146.5 | 83.5 | 0 | 0 | 0 | 113.8 | L155 | L155-L159 VanDerWaalsContact O-CB 3.3Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 PolarHBondContact O-N 3.49Å | ||
| 160 | K | 45.3 | Very low | 59.8 | Low | 183 Ų | 183 | 100.1 Ų | 100.1 | 80% | 0.796 | 54% | 0.54 | S | S | * | . | trans | -121.1 | 0 | 179.3 | -162.5 | 178 | 178 | -176 | 0 | 108.7 | D99 | D99-K160 IonicContact OD2-NZ 3.66Å; D99-K160 PolarHBondContact OD2-NZ 3.32Å |
Retrieved 160 of 160 residues in 103.7 ms
(Link to these results)