| 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 | 52 | Low | 41 | Very low | 238 Ų | 238 | 130.9 Ų | 130.9 | 100% | 1.172 | 81% | 0.813 | S | S | * | * | 0 | 104.6 | 0 | -82.3 | 172.1 | 156.7 | 0 | 0 | 108.4 | |||||
| 2 | T | 39.1 | Very low | 40.8 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -173.9 | 118.7 | 158.6 | 15.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | S | 37.5 | Very low | 40.6 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -101.3 | 137.3 | 164.2 | -58.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | V | 45.9 | Very low | 40.5 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -133.2 | 129.2 | 163.1 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 5 | V | 43.2 | Very low | 40 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -131.1 | 113.2 | 173.8 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 6 | L | 41.2 | Very low | 39.8 | Very low | 156 Ų | 156 | 142 Ų | 142 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | trans | -145.2 | 101.2 | 161.4 | -82.2 | 174 | 0 | 0 | 0 | 105 | ||||
| 7 | V | 40.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 71% | 0.709 | 82% | 0.817 | S | S | * | * | 82.8 | 124.1 | 78.1 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 8 | D | 41.3 | Very low | 39.4 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | -59.5 | 144.8 | -177.2 | 172.5 | 34 | 0 | 0 | 0 | 113.6 | G10 | D8-G10 PolarHBondContact OD1-N 3Š| ||
| 9 | T | 40.7 | Very low | 39.5 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -153.2 | 67.5 | 160.2 | -31.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 10 | G | 35.1 | Very low | 39.4 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -62.4 | 161.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | D8 | D8-G10 PolarHBondContact OD1-N 3Š| ||
| 11 | G | 34.7 | Very low | 39.3 | Very low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 167.3 | 119.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 12 | T | 38.7 | Very low | 38.3 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | 67.6 | 82.5 | 152.8 | -36.9 | 0 | 0 | 0 | 0 | 119.1 | V14 | T12-V14 PolarHBondContact O-N 3.41Š| ||
| 13 | M | 37.5 | Very low | 38.3 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | 30.4 | 92.7 | 121.4 | -172.4 | -172.1 | 179.8 | 0 | 0 | 118.4 | |||||
| 14 | V | 39.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | -150.8 | 130.1 | 129.5 | -128.4 | 0 | 0 | 0 | 0 | 108.6 | T12 Y16 | T12-V14 PolarHBondContact O-N 3.41Å; V14-Y16 HydrophobicContact CG1-CD2 4.28Å; V14-Y16 HydrophobicContact CG1-CE2 4.12Å | |||
| 15 | E | 33.4 | Very low | 38.2 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -132.1 | 111.6 | 167.1 | -170.8 | 168.8 | -155.9 | 0 | 0 | 107.8 | V17 | E15-V17 HydrophobicContact CG-CG2 4.36Š| ||
| 16 | Y | 36.3 | Very low | 38.1 | Very low | 205 Ų | 205 | 146.5 Ų | 146.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 127.6 | 165.9 | -84.6 | -108.5 | 0 | 0 | 0 | 106.8 | V14 | V14-Y16 HydrophobicContact CG1-CD2 4.28Å; V14-Y16 HydrophobicContact CG1-CE2 4.12Å | ||
| 17 | V | 36.4 | Very low | 37.8 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | trans | -107.3 | 105.2 | 164.6 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | E15 | E15-V17 HydrophobicContact CG-CG2 4.36Š| ||
| 18 | T | 36.3 | Very low | 37.7 | Very low | 114 Ų | 114 | 148 Ų | 148 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 155.9 | 167.4 | 40.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 19 | E | 41.1 | Very low | 37.8 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -67.1 | 140.2 | 172.1 | -58.3 | 176.4 | 127.8 | 0 | 0 | 110.4 | ||||
| 20 | E | 37.5 | Very low | 37.9 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -108.2 | 126.5 | 162.8 | -75.5 | -166.5 | 153.8 | 0 | 0 | 109.9 | ||||
| 21 | V | 37.1 | Very low | 38.1 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -121.1 | 114.5 | 164.2 | 171.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 22 | C | 31.6 | Very low | 38.5 | Very low | 106 Ų | 106 | 156.3 Ų | 156.3 | 72% | 0.716 | 81% | 0.809 | S | S | * | * | trans | -170.8 | 147.1 | 167.2 | -98.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 23 | E | 39.3 | Very low | 38.8 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | cis | -153.8 | 167.4 | -17.3 | -139.2 | 162.6 | -168.3 | 0 | 0 | 108.9 | ||||
| 24 | E | 40.4 | Very low | 38.8 | Very low | 176 Ų | 176 | 155.1 Ų | 155.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -83 | 154 | 173.4 | -169.2 | 167.9 | 99.6 | 0 | 0 | 109.8 | ||||
| 25 | L | 40.1 | Very low | 38.7 | Very low | 161 Ų | 161 | 156.1 Ų | 156.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 179 | 156.8 | 136 | -98.3 | 169.3 | 0 | 0 | 0 | 112.9 | ||||
| 26 | E | 40.2 | Very low | 38.8 | Very low | 170 Ų | 170 | 151 Ų | 151 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -89 | 173.6 | 178.5 | -56.6 | 166.7 | 114.7 | 0 | 0 | 111.3 | ||||
| 27 | E | 36.8 | Very low | 38.7 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | 178.8 | 140.5 | 110.7 | -99 | -160.5 | 135.8 | 0 | 0 | 115.5 | |||||
| 28 | V | 37.6 | Very low | 38.6 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 80 | 144.3 | 139.2 | 171.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 29 | E | 43.3 | Very low | 38.6 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -95.8 | 163.3 | -176.5 | -49.4 | 172.6 | 104.7 | 0 | 0 | 113.1 | ||||
| 30 | E | 42 | Very low | 38.5 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -172.8 | 148.9 | 139.1 | -100 | -171.3 | 151.4 | 0 | 0 | 107.3 | ||||
| 31 | A | 40.7 | Very low | 38.3 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | cis | -167.9 | 172.1 | -28.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 32 | D | 42.8 | Very low | 38.1 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | 60.4 | 142.3 | 150.4 | -56.8 | -13.6 | 0 | 0 | 0 | 121.6 | ||||
| 33 | E | 44.9 | Very low | 38.8 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -165.2 | -174.6 | -27.2 | -134.4 | -180 | 177.5 | 0 | 0 | 109.2 | ||||
| 34 | D | 37.2 | Very low | 38.4 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 67.6 | 145 | 160.7 | -86.1 | 0.4 | 0 | 0 | 0 | 121.1 | ||||
| 35 | I | 36.8 | Very low | 38.1 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | cis | -171.6 | 158.7 | -24.2 | -126.1 | -168.8 | 0 | 0 | 0 | 106.7 | ||||
| 36 | A | 36.4 | Very low | 37.7 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 60% | 0.603 | 76% | 0.757 | S | S | * | * | cis | -158.8 | -141.7 | -5.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 37 | V | 33.6 | Very low | 37.2 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | 80.5 | 82.3 | 157.9 | -165 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 38 | V | 35.6 | Very low | 37.1 | Very low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | 82.5 | 135 | 73.9 | 163.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 39 | V | 35.5 | Very low | 36.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | cis | -166 | 157.5 | -7.1 | 130.5 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 40 | E | 38.7 | Very low | 36.7 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | -169 | 125.4 | 57.3 | -148.7 | 151.8 | 99.8 | 0 | 0 | 107 | |||||
| 41 | E | 33.5 | Very low | 36.2 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | 74.3 | 152.3 | 107.8 | -150.7 | 167.3 | 146 | 0 | 0 | 117.2 | |||||
| 42 | A | 33.3 | Very low | 35.6 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -121.4 | -136.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 43 | P | 46.9 | Very low | 35 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | cis | -135.2 | -161.9 | -6.6 | 33.3 | -8.5 | 0 | 0 | 0 | 114.7 | ||||
| 44 | T | 30.1 | Very low | 34.3 | Very low | 136 Ų | 136 | 131 Ų | 131 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | 93.4 | 133.4 | 161 | 73 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 45 | A | 34.2 | Very low | 34 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | cis | -151 | 157.3 | -7.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 46 | S | 32.1 | Very low | 33.7 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 13.4 | 121.6 | 148.1 | -145.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 47 | R | 29.8 | Very low | 33.5 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | 59.8 | 114.4 | 60.4 | -173.8 | -160.5 | 166.7 | 175.5 | -0.2 | 114 | D49 | R47-D49 IonicContact CZ-OD2 2.62Å; R47-D49 VanDerWaalsContact CZ-OD2 3.23Å; R47-D49 IonicContact NE-OD2 3.23Å; R47-D49 PolarHBondContact NE-OD2 2.62Å; R47-D49 IonicContact NH2-OD2 2.62Å; R47-D49 PolarHBondContact NH2-OD2 2.77Å | |||
| 48 | L | 33.6 | Very low | 33.3 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | -165.8 | 133.9 | 123.6 | -86.2 | 150 | 0 | 0 | 0 | 104.3 | |||||
| 49 | D | 32.8 | Very low | 33.7 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 48% | 0.481 | 76% | 0.763 | S | S | . | * | 64.3 | 132.5 | 66.4 | -62.3 | -47.5 | 0 | 0 | 0 | 111.3 | R47 | R47-D49 IonicContact CZ-OD2 2.62Å; R47-D49 VanDerWaalsContact CZ-OD2 3.23Å; R47-D49 IonicContact NE-OD2 3.23Å; R47-D49 PolarHBondContact NE-OD2 2.62Å; R47-D49 IonicContact NH2-OD2 2.62Å; R47-D49 PolarHBondContact NH2-OD2 2.77Å | |||
| 50 | E | 39.3 | Very low | 33.5 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | cis | -150.4 | -157.1 | 15.6 | -125.9 | -177 | 139.5 | 0 | 0 | 114.1 | ||||
| 51 | Q | 32.9 | Very low | 33.2 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | -85.4 | 170.3 | -165.6 | -31.9 | 79.4 | -2.7 | 0 | 0 | 114.8 | ||||
| 52 | G | 28.5 | Very low | 33.1 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | 177.7 | 60.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 53 | Y | 29.3 | Very low | 33.1 | Very low | 225 Ų | 225 | 136.8 Ų | 136.8 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | 17.1 | 145.4 | 152.8 | -108.3 | -100.3 | 0 | 0 | 0 | 124.1 | ||||
| 54 | S | 30.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | 81.7 | 147.4 | 153.2 | 81.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 55 | A | 31.3 | Very low | 32.5 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -116.4 | 142.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 56 | Q | 29.5 | Very low | 32.5 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -150.6 | 153.9 | 156 | -138.2 | 157.3 | 98.3 | 0 | 0 | 111.9 | ||||
| 57 | V | 31.9 | Very low | 32.6 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -97 | 138.3 | -178.2 | 172.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 58 | V | 30.4 | Very low | 32.8 | Very low | 127 Ų | 127 | 141 Ų | 141 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -173.9 | 150.1 | 136.6 | 138.8 | 0 | 0 | 0 | 0 | 109.9 | Y60 | V58-Y60 HydrophobicContact CG1-CD2 4.27Š| ||
| 59 | V | 42.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -102.8 | 125.4 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 60 | Y | 32.7 | Very low | 32.6 | Very low | 216 Ų | 216 | 140.8 Ų | 140.8 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -151 | 148.7 | 149 | -83 | -79.8 | 0 | 0 | 0 | 104.8 | V58 | V58-Y60 HydrophobicContact CG1-CD2 4.27Š| ||
| 61 | G | 31.4 | Very low | 32.3 | Very low | 64 Ų | 64 | 141.6 Ų | 141.6 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | cis | 90.2 | 114.8 | 29.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 62 | D | 32.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | cis | -153.3 | -163.7 | -2.5 | -152.4 | -37 | 0 | 0 | 0 | 107.9 | ||||
| 63 | E | 32.6 | Very low | 32.7 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | 48 | 138.3 | 144.7 | 70.2 | -158 | 141.8 | 0 | 0 | 122.3 | ||||
| 64 | A | 32.1 | Very low | 32.9 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | cis | -167.5 | 156.6 | -11.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 65 | Y | 32.7 | Very low | 33 | Very low | 226 Ų | 226 | 141 Ų | 141 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | trans | -148.3 | 67.1 | 153.2 | -154.2 | -90.6 | 0 | 0 | 0 | 113.6 | ||||
| 66 | V | 33.3 | Very low | 32.8 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 56% | 0.564 | 77% | 0.771 | S | S | * | * | 41 | 105.9 | 123.9 | -175.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 67 | M | 34.8 | Very low | 32.8 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | 67 | 157.4 | 140.8 | -67.8 | 171.9 | 177.6 | 0 | 0 | 119 | ||||
| 68 | Q | 33.5 | Very low | 32.9 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -152.3 | 170.8 | -1.7 | -121.6 | 168.3 | -109 | 0 | 0 | 105.7 | ||||
| 69 | E | 29.9 | Very low | 32.8 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | cis | -161.1 | 171.9 | -1.6 | 56.6 | -161.9 | -135.2 | 0 | 0 | 106.1 | ||||
| 70 | A | 33 | Very low | 32.5 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | cis | -144.2 | 140.6 | 1.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 71 | E | 32.8 | Very low | 32.9 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | 56.3 | 135.6 | 85.1 | -56.3 | 175.3 | -167.2 | 0 | 0 | 114.1 | |||||
| 72 | T | 36.3 | Very low | 33.2 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 64% | 0.638 | 78% | 0.783 | S | S | * | * | cis | -135.6 | 140.8 | 11.7 | 24.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 73 | E | 34.4 | Very low | 33.2 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | 58.9 | 140.1 | 93 | -53 | 174.9 | 164 | 0 | 0 | 115.2 | |||||
| 74 | G | 32.7 | Very low | 33.1 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | cis | -173.8 | -170.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 75 | E | 32.5 | Very low | 33.2 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | cis | -165.8 | 151.3 | -5.7 | -168.2 | -162.1 | 145 | 0 | 0 | 108.7 | ||||
| 76 | G | 28.4 | Very low | 33.2 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 80.4 | 158.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 77 | G | 29.5 | Very low | 33.4 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | 118.6 | 61.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 78 | E | 32.5 | Very low | 33.4 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 0.9 | 168.8 | 145.2 | -54.2 | -176.3 | -170 | 0 | 0 | 123.8 | ||||
| 79 | C | 29.8 | Very low | 33.4 | Very low | 121 Ų | 121 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 81.8 | 124.7 | 163.8 | -87.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 80 | F | 35 | Very low | 33.6 | Very low | 205 Ų | 205 | 134.3 Ų | 134.3 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | -75.8 | 150.4 | 155.1 | -59.5 | -96 | 0 | 0 | 0 | 109.6 | ||||
| 81 | P | 41.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | -147.4 | -174.4 | 94.8 | 39 | -22.2 | 0 | 0 | 0 | 115 | |||||
| 82 | L | 39 | Very low | 33.9 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -80.2 | 134.7 | -179.7 | -64 | 161.7 | 0 | 0 | 0 | 113 | ||||
| 83 | N | 30.8 | Very low | 34 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | 149.2 | 135.9 | 116 | -81.6 | -50.5 | 0 | 0 | 0 | 116.4 | |||||
| 84 | I | 30.8 | Very low | 34.3 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | 78.2 | 112.6 | 135.1 | -70.7 | 171.7 | 0 | 0 | 0 | 121 | ||||
| 85 | V | 35.1 | Very low | 34.7 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 85.7 | 120.1 | 139.8 | 162.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 86 | E | 32.9 | Very low | 35.6 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | 57.9 | 153.1 | 147.3 | -73.9 | -172.3 | 101.4 | 0 | 0 | 122.1 | ||||
| 87 | A | 37.2 | Very low | 37 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | cis | -160.7 | 161.4 | -11.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 88 | S | 33.4 | Very low | 38.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 164.3 | 146 | 150.7 | -175 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 89 | G | 34.1 | Very low | 39.7 | Very low | 53 Ų | 53 | 135.4 Ų | 135.4 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | cis | 159 | 154.4 | -4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 90 | Y | 33.5 | Very low | 41.2 | Very low | 226 Ų | 226 | 135.2 Ų | 135.2 | 89% | 0.886 | 75% | 0.75 | S | S | * | * | trans | 68 | 137.6 | 179.8 | -54.8 | -85.4 | 0 | 0 | 0 | 116.9 | ||||
| 91 | S | 37.2 | Very low | 42.8 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | cis | -159.8 | 157.8 | -15.5 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 92 | N | 36.6 | Very low | 43.7 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | 65.3 | 87.4 | 151.3 | -159.1 | 8.5 | 0 | 0 | 0 | 119.7 | ||||
| 93 | V | 37 | Very low | 44.8 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | -130.1 | 128.3 | 147 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 94 | H | 40.8 | Very low | 46.4 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | trans | -82 | 116.9 | 179 | -169.4 | 65 | 0 | 0 | 0 | 110.1 | ||||
| 95 | C | 40.9 | Very low | 47.9 | Very low | 95 Ų | 95 | 121 Ų | 121 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | trans | -102.2 | 123.7 | -177.8 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | D97 | C95-D97 PolarHBondContact O-N 3.06Š| ||
| 96 | S | 52.3 | Low | 49.3 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | trans | -94.2 | 79.5 | -171.8 | 43.7 | 0 | 0 | 0 | 0 | 113.9 | K98 | S96-K98 PolarHBondContact O-N 3.46Š| ||
| 97 | D | 57.3 | Low | 50.8 | Low | 131 Ų | 131 | 120.7 Ų | 120.7 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 50 | -4.1 | 147 | -63.9 | -51.7 | 0 | 0 | 0 | 122 | C95 | C95-D97 PolarHBondContact O-N 3.06Š|
| 98 | K | 59.4 | Low | 52 | Low | 185 Ų | 185 | 124.8 Ų | 124.8 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -4.2 | -173.9 | -65 | -175.6 | -179.9 | -174.8 | 0 | 115.1 | S96 | S96-K98 PolarHBondContact O-N 3.46Š|
| 99 | T | 60.2 | Low | 53.4 | Low | 110 Ų | 110 | 126.3 Ų | 126.3 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -22.7 | -177.7 | -45.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 100 | I | 59.9 | Low | 54.3 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 61% | 0.605 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -41.8 | -169.5 | -158.1 | 164.1 | 0 | 0 | 0 | 112.7 | A102 A103 E104 | I100-A102 VanDerWaalsContact C-N 3.26Å; I100-A102 PolarHBondContact O-N 2.87Å; I100-A103 WeakPolarHBondContact O-CB 3.07Å; I100-A103 PolarHBondContact O-N 2.79Å; I100-E104 PolarHBondContact O-N 3.06Å |
| 101 | E | 68.4 | Low | 54.8 | Low | 153 Ų | 153 | 123.8 Ų | 123.8 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -57.5 | -39.2 | 172.6 | -176.6 | -179.5 | -156.2 | 0 | 0 | 111.7 | A103 A105 | E101-A103 VanDerWaalsContact C-N 3.26Å; E101-A103 PolarHBondContact O-N 2.74Å; E101-A105 PolarHBondContact O-N 2.98Å |
| 102 | A | 60.9 | Low | 55.3 | Low | 58 Ų | 58 | 125.5 Ų | 125.5 | 48% | 0.479 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -69.4 | -19.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I100 | I100-A102 VanDerWaalsContact C-N 3.26Å; I100-A102 PolarHBondContact O-N 2.87Å |
| 103 | A | 62.9 | Low | 55.2 | Low | 50 Ų | 50 | 123.3 Ų | 123.3 | 41% | 0.413 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -83.2 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I100 E101 A105 L106 | I100-A103 WeakPolarHBondContact O-CB 3.07Å; I100-A103 PolarHBondContact O-N 2.79Å; E101-A103 VanDerWaalsContact C-N 3.26Å; E101-A103 PolarHBondContact O-N 2.74Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 2.85Å; A103-L106 PolarHBondContact O-N 2.96Å |
| 104 | E | 63.1 | Low | 55.1 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -61.7 | -39.5 | 175.7 | -67.3 | -170.1 | 118.7 | 0 | 0 | 111.8 | I100 L106 L107 | I100-E104 PolarHBondContact O-N 3.06Å; E104-L106 PolarHBondContact O-N 2.89Å; E104-L106 VanDerWaalsContact O-N 3.13Å; E104-L107 PolarHBondContact O-N 3.32Å; E104-L107 VanDerWaalsContact O-N 3.09Å |
| 105 | A | 63.3 | Low | 55.1 | Low | 72 Ų | 72 | 120.6 Ų | 120.6 | 60% | 0.595 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -59.4 | -23.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | E101 A103 | E101-A105 PolarHBondContact O-N 2.98Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 2.85Å |
| 106 | L | 63.3 | Low | 54.9 | Low | 139 Ų | 139 | 125.6 Ų | 125.6 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -88.5 | -14.9 | 178.8 | -69.3 | 173.5 | 0 | 0 | 0 | 113.7 | A103 E104 | A103-L106 PolarHBondContact O-N 2.96Å; E104-L106 PolarHBondContact O-N 2.89Å; E104-L106 VanDerWaalsContact O-N 3.13Å |
| 107 | L | 64.9 | Low | 54 | Low | 151 Ų | 151 | 127.8 Ų | 127.8 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -89.3 | -9.4 | -178.4 | -64.7 | 174.9 | 0 | 0 | 0 | 113.5 | E104 | E104-L107 PolarHBondContact O-N 3.32Å; E104-L107 VanDerWaalsContact O-N 3.09Å |
| 108 | H | 61.6 | Low | 53 | Low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | trans | -99.8 | 10 | -177.7 | -96.1 | -71.4 | 0 | 0 | 0 | 115.4 | D110 | H108-D110 PolarHBondContact O-N 3.18Å; H108-D110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | M | 62.7 | Low | 51.9 | Low | 152 Ų | 152 | 129 Ų | 129 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | -82 | 89.3 | 174.4 | -87.1 | -94.1 | 56.8 | 0 | 0 | 111.9 | ||||
| 110 | D | 54.7 | Low | 50.6 | Low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | -64.3 | 153.8 | 170.6 | -153 | -64.4 | 0 | 0 | 0 | 111.7 | H108 P112 | H108-D110 PolarHBondContact O-N 3.18Å; H108-D110 VanDerWaalsContact O-N 3.15Å; D110-P112 WeakPolarHBondContact O-CD 3.46Å | ||
| 111 | S | 44.2 | Very low | 50.1 | Low | 84 Ų | 84 | 128.1 Ų | 128.1 | 59% | 0.587 | 70% | 0.698 | S | S | * | * | trans | -103 | 109.6 | -167.3 | -71.7 | 0 | 0 | 0 | 0 | 112 | S113 | S111-S113 PolarHBondContact O-N 3.43Š| ||
| 112 | P | 46.1 | Very low | 48.5 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 92% | 0.916 | 70% | 0.699 | S | S | * | * | trans | -72.3 | 87.2 | -178.5 | 29.9 | -35 | 0 | 0 | 0 | 111 | D110 | D110-P112 WeakPolarHBondContact O-CD 3.46Š| ||
| 113 | S | 35.2 | Very low | 47.1 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -117.8 | 124.1 | -179.8 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | S111 | S111-S113 PolarHBondContact O-N 3.43Š| ||
| 114 | S | 35.8 | Very low | 45.7 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 73.8 | 119.3 | 160.5 | -138.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 115 | L | 40.5 | Very low | 44.3 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | 53.6 | 140.3 | 129.8 | -79 | 170.9 | 0 | 0 | 0 | 122.8 | |||||
| 116 | R | 37.1 | Very low | 42.7 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | 100.9 | 153.5 | 137.5 | -78.3 | -85.8 | 174 | 173.5 | -1.6 | 121 | ||||
| 117 | E | 33.3 | Very low | 41.9 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | 60.2 | 97.8 | 163.9 | -98.8 | 59.9 | 140.6 | 0 | 0 | 121.9 | ||||
| 118 | D | 36 | Very low | 40.2 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | 39.8 | 147.6 | 111.9 | -164 | 42.1 | 0 | 0 | 0 | 122 | |||||
| 119 | R | 35 | Very low | 38.7 | Very low | 215 Ų | 215 | 135 Ų | 135 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | 94.5 | 104.9 | 148.5 | -122.1 | 175.2 | -175.8 | 115.7 | -7.2 | 121.6 | ||||
| 120 | S | 33.4 | Very low | 37.2 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -40.7 | 169.5 | 145.5 | -130.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 121 | P | 50.9 | Low | 36.3 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | cis | -150.3 | -166.1 | 27.9 | 44.3 | -22.6 | 0 | 0 | 0 | 118.4 | ||||
| 122 | V | 32.9 | Very low | 35.9 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 74.2 | 129.1 | 159.5 | 167.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 123 | E | 33.3 | Very low | 36 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | cis | -169.2 | 174.3 | -7.9 | -119.2 | -178.8 | 83.6 | 0 | 0 | 108.1 | ||||
| 124 | A | 33.6 | Very low | 35.8 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 55% | 0.554 | 74% | 0.743 | S | S | * | * | cis | -156.2 | -132.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 125 | F | 33.7 | Very low | 35.7 | Very low | 207 Ų | 207 | 138.7 Ų | 138.7 | 91% | 0.908 | 75% | 0.747 | S | S | * | * | trans | 59.2 | 71.9 | 166.8 | -71 | -70.5 | 0 | 0 | 0 | 119.6 | ||||
| 126 | T | 28.8 | Very low | 35.5 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -89 | 177.1 | 144.9 | 22.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 127 | P | 47 | Very low | 35.6 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | cis | -144.8 | -167.2 | 26.5 | 43.6 | -22.1 | 0 | 0 | 0 | 118.5 | ||||
| 128 | Q | 28.6 | Very low | 35.5 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 96.9 | 135.4 | 171.3 | -59.2 | -164.2 | -84.8 | 0 | 0 | 116.9 | ||||
| 129 | S | 31.2 | Very low | 35.4 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | cis | -161.7 | 148.9 | -23.3 | -154.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 130 | E | 30.1 | Very low | 35.5 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | 55.5 | 146.3 | 156.6 | -73.5 | 154 | 104 | 0 | 0 | 120.4 | ||||
| 131 | A | 35.8 | Very low | 35.6 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | cis | -157.9 | 161.5 | -13 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 132 | A | 35.5 | Very low | 35 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 164.2 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 133 | P | 48.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -131.8 | 156.6 | 141.9 | 36.2 | -25.5 | 0 | 0 | 0 | 113.7 | ||||
| 134 | D | 32 | Very low | 34.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | trans | -97.4 | -167.2 | -166.3 | -61.9 | -82.1 | 0 | 0 | 0 | 115.6 | ||||
| 135 | F | 33.5 | Very low | 34.9 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 90.3 | 140.9 | 155.3 | -49.8 | -63.1 | 0 | 0 | 0 | 116.7 | ||||
| 136 | L | 36.9 | Very low | 35 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | cis | -137.4 | 164 | 7.3 | -77.7 | 176.7 | 0 | 0 | 0 | 113.2 | ||||
| 137 | H | 37.1 | Very low | 35.1 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -75.9 | 144 | 157.7 | -77.1 | -79.2 | 0 | 0 | 0 | 112.5 | ||||
| 138 | A | 31.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -161.4 | 154 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 139 | A | 35.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -128.1 | 136.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 140 | M | 36.1 | Very low | 34.6 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | -143.5 | 168.6 | 168.2 | -75.2 | -143.3 | 72.4 | 0 | 0 | 112.1 | ||||
| 141 | R | 35.6 | Very low | 34.4 | Very low | 226 Ų | 226 | 143.1 Ų | 143.1 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -82 | 154.6 | -172.7 | -59.4 | 174.2 | 175.4 | 119.2 | -2.6 | 112.4 | ||||
| 142 | P | 39.2 | Very low | 34 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -85.9 | 134.5 | 161.4 | 34.1 | -30.1 | 0 | 0 | 0 | 111.3 | ||||
| 143 | D | 30.8 | Very low | 33.6 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -160.3 | 137.4 | 145.8 | -141.3 | -13.5 | 0 | 0 | 0 | 112.7 | ||||
| 144 | V | 33.2 | Very low | 32.7 | Very low | 112 Ų | 112 | 147 Ų | 147 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | 62.3 | 144.7 | 165.2 | -146.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 145 | I | 32.9 | Very low | 32.4 | Very low | 175 Ų | 175 | 147 Ų | 147 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 62.7 | 134.2 | 161.3 | 40.9 | 176.7 | 0 | 0 | 0 | 122.1 | ||||
| 146 | G | 35 | Very low | 32.2 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 142.3 | 81.1 | 161 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 147 | E | 32.2 | Very low | 32 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -103.7 | 160.9 | 164.8 | -70.2 | -169.8 | 170.5 | 0 | 0 | 111.2 | ||||
| 148 | T | 36 | Very low | 31.4 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 67.7 | 131.2 | 175.6 | 66.9 | 0 | 0 | 0 | 0 | 114.9 | V150 | T148-V150 HydrophobicContact CG2-CG2 4.35Š| ||
| 149 | E | 26.2 | Very low | 31 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | cis | -119 | 157.2 | 46.6 | -66.3 | 170.8 | 132.3 | 0 | 0 | 113.1 | ||||
| 150 | V | 34 | Very low | 31.4 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | cis | 84.9 | 107.3 | 20.1 | -174.8 | 0 | 0 | 0 | 0 | 115.7 | T148 | T148-V150 HydrophobicContact CG2-CG2 4.35Š| ||
| 151 | E | 25.7 | Very low | 31 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -151.8 | 132.3 | 143.5 | -157.5 | -177.7 | -170.9 | 0 | 0 | 112.2 | T153 | E151-T153 HydrophobicContact CG-CG2 4.15Š| ||
| 152 | I | 27.7 | Very low | 31.6 | Very low | 171 Ų | 171 | 140 Ų | 140 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -178.4 | 146.5 | 143.4 | -93.1 | 157.4 | 0 | 0 | 0 | 106.3 | ||||
| 153 | T | 25.9 | Very low | 30.8 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | trans | -121.9 | 137.4 | -134.3 | 32.1 | 0 | 0 | 0 | 0 | 118.1 | E151 | E151-T153 HydrophobicContact CG-CG2 4.15Š| ||
| 154 | V | 30.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | 60.6 | 116.1 | 136 | -178.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 155 | T | 24.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | -175.2 | 120.5 | 110.3 | 39.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 156 | S | 29.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 37.5 | 148.6 | 129.5 | -56.4 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 157 | L | 33.4 | Very low | 30.9 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | cis | -167.3 | 172.9 | 0.3 | -117.5 | 168.6 | 0 | 0 | 0 | 112.6 | ||||
| 158 | E | 24.1 | Very low | 31 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | 92.4 | 160.5 | 158.1 | -134.9 | 158.9 | 121.5 | 0 | 0 | 121.5 | ||||
| 159 | E | 23.7 | Very low | 30.9 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -135 | -172.7 | -158.4 | -125.7 | -157 | 115.6 | 0 | 0 | 110.9 | ||||
| 160 | P | 42.3 | Very low | 31.2 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -135.9 | -166.6 | -5.9 | 40.4 | -18.8 | 0 | 0 | 0 | 116.9 | ||||
| 161 | E | 28.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -51.2 | 177.2 | 172.3 | -78.6 | -74.8 | 126 | 0 | 0 | 117.9 | ||||
| 162 | P | 47.1 | Very low | 31.2 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -151.9 | 172.8 | 25.9 | 46.5 | -25.4 | 0 | 0 | 0 | 122.6 | ||||
| 163 | D | 24.3 | Very low | 31.4 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | trans | 60.5 | 115.3 | 136.1 | -171.4 | 40.9 | 0 | 0 | 0 | 124.5 | ||||
| 164 | N | 27 | Very low | 32 | Very low | 143 Ų | 143 | 150 Ų | 150 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | 177.9 | 147.3 | 115.8 | -102.4 | -90.3 | 0 | 0 | 0 | 115.6 | |||||
| 165 | E | 28.4 | Very low | 32 | Very low | 173 Ų | 173 | 154 Ų | 154 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -115.5 | -172 | 173.6 | -126.6 | -148.2 | 146.7 | 0 | 0 | 110.2 | ||||
| 166 | P | 49.4 | Very low | 32.2 | Very low | 90 Ų | 90 | 152.5 Ų | 152.5 | 58% | 0.584 | 79% | 0.785 | S | S | * | * | cis | -124.9 | -163.9 | -43.6 | 24.8 | -4 | 0 | 0 | 0 | 112.9 | ||||
| 167 | V | 28.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 67% | 0.673 | 79% | 0.79 | S | S | * | * | 148.7 | 104 | 129.5 | 168.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 168 | R | 33 | Very low | 32.4 | Very low | 203 Ų | 203 | 153.3 Ų | 153.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | 59 | 122.6 | 137.5 | -60.9 | 176.4 | -173.4 | 165.2 | 0.6 | 124.1 | ||||
| 169 | K | 34.2 | Very low | 33 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | 61.2 | 132.6 | 128.2 | -55.4 | 170.4 | -174.4 | 179.8 | 0 | 118 | |||||
| 170 | K | 32.6 | Very low | 33.2 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | -173.7 | 176.7 | 61.4 | -164 | 170.2 | 177 | -178.5 | 0 | 112.2 | |||||
| 171 | R | 32.6 | Very low | 32.6 | Very low | 239 Ų | 239 | 150.4 Ų | 150.4 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -67.9 | 166.6 | -176.8 | -66.2 | 174.6 | 163.6 | -170.1 | -4.8 | 116.6 | ||||
| 172 | A | 28.4 | Very low | 32.7 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | 86.9 | 151.7 | 161 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 173 | G | 31 | Very low | 32.1 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | 151.2 | 129.4 | -15.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 174 | R | 38.4 | Very low | 32.2 | Very low | 243 Ų | 243 | 149.1 Ų | 149.1 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | 55.3 | 147.8 | 162 | -71.3 | -175.5 | 171.8 | -176.3 | -3.1 | 119.8 | ||||
| 175 | K | 31.5 | Very low | 32.8 | Very low | 208 Ų | 208 | 150 Ų | 150 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | 69.3 | 162.4 | 165.3 | -68.6 | -177.1 | 177.9 | -176 | 0 | 115.9 | ||||
| 176 | A | 27.5 | Very low | 32.8 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | cis | -166 | 164.2 | -32.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 177 | K | 37.7 | Very low | 32.5 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -91.6 | 147.6 | 176.2 | -163.1 | 170.9 | -175.3 | 174 | 0 | 111.7 | ||||
| 178 | A | 30.1 | Very low | 33.2 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -149 | 167.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 179 | P | 37.3 | Very low | 33 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | cis | -123.3 | -159.1 | -1.3 | 42.3 | -27.3 | 0 | 0 | 0 | 114 | ||||
| 180 | Q | 28.4 | Very low | 33.5 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -39.7 | 170.7 | 168.1 | -53.2 | -79.4 | -79.2 | 0 | 0 | 115.9 | ||||
| 181 | S | 29.5 | Very low | 33.5 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | cis | -151 | -176.5 | 16.6 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 182 | S | 29.9 | Very low | 34.1 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -65.2 | 178.6 | 161.9 | 45.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 183 | I | 33.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | cis | -153.3 | 157.7 | 32.6 | -52.7 | 160.2 | 0 | 0 | 0 | 111.4 | ||||
| 184 | S | 26.6 | Very low | 35.7 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 133.9 | 154.3 | 135.9 | -153.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 185 | N | 40.5 | Very low | 35.9 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | trans | -101.9 | 160 | -173.5 | -66 | -25.6 | 0 | 0 | 0 | 112.1 | ||||
| 186 | G | 28.7 | Very low | 37 | Very low | 74 Ų | 74 | 125.4 Ų | 125.4 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -178.4 | 72.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 187 | T | 43.1 | Very low | 37.5 | Very low | 141 Ų | 141 | 132 Ų | 132 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | -63.8 | 132.3 | 163.2 | -37.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 188 | P | 43.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | -149.6 | 168 | 99.1 | 39.7 | -23.5 | 0 | 0 | 0 | 115.7 | |||||
| 189 | D | 27.9 | Very low | 39.2 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 54.7 | 131.9 | 147.5 | -164 | 41.4 | 0 | 0 | 0 | 121.9 | S191 | D189-S191 PolarHBondContact O-N 3.15Š| ||
| 190 | L | 45.3 | Very low | 39.6 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -104.6 | 69 | -173.2 | -68.7 | -179.7 | 0 | 0 | 0 | 112.6 | F192 | L190-F192 HydrophobicContact CB-CD2 4.19Å; L190-F192 HydrophobicContact CB-CE2 3.71Å; L190-F192 HydrophobicContact CB-CZ 4.13Å; L190-F192 HydrophobicContact CD1-CE2 4.11Å; L190-F192 HydrophobicContact CD1-CZ 4.3Å; L190-F192 HydrophobicContact CD2-CE2 4.46Å; L190-F192 HydrophobicContact CD2-CZ 4.05Å; L190-F192 HydrophobicContact CG-CE2 4.31Å; L190-F192 HydrophobicContact CG-CZ 4.4Å; L190-F192 WeakPolarHBondContact O-CD2 3.24Å; L190-F192 PolarHBondContact O-N 2.87Å | ||
| 191 | S | 31.7 | Very low | 40.5 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | -75.4 | 77.1 | 179.8 | 41.6 | 0 | 0 | 0 | 0 | 113.7 | D189 K193 | D189-S191 PolarHBondContact O-N 3.15Å; S191-K193 PolarHBondContact O-N 3.26Å | ||
| 192 | F | 44.7 | Very low | 41.9 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | -78.8 | 80.5 | -177.9 | -66.3 | -59.1 | 0 | 0 | 0 | 114.9 | L190 K194 | L190-F192 HydrophobicContact CB-CD2 4.19Å; L190-F192 HydrophobicContact CB-CE2 3.71Å; L190-F192 HydrophobicContact CB-CZ 4.13Å; L190-F192 HydrophobicContact CD1-CE2 4.11Å; L190-F192 HydrophobicContact CD1-CZ 4.3Å; L190-F192 HydrophobicContact CD2-CE2 4.46Å; L190-F192 HydrophobicContact CD2-CZ 4.05Å; L190-F192 HydrophobicContact CG-CE2 4.31Å; L190-F192 HydrophobicContact CG-CZ 4.4Å; L190-F192 WeakPolarHBondContact O-CD2 3.24Å; L190-F192 PolarHBondContact O-N 2.87Å; F192-K194 PolarHBondContact O-N 3.03Å | ||
| 193 | K | 42.6 | Very low | 43.2 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | trans | -81.1 | 75.1 | -177.5 | -139.5 | 163.9 | -174.3 | 163 | 0 | 115.1 | S191 D358 | S191-K193 PolarHBondContact O-N 3.26Å; K193-D358 WeakPolarHBondContact CE-OD2 3.45Å; K193-D358 IonicContact NZ-OD2 3.91Å; K193-D358 PolarHBondContact NZ-OD2 3.15Å | ||
| 194 | K | 51.3 | Low | 44.8 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 36% | 0.361 | 71% | 0.709 | S | S | . | * | trans | 42.2 | 145.7 | 145.7 | -96.4 | -176.4 | 166.6 | -158.5 | 0 | 124.4 | F192 A355 A356 | F192-K194 PolarHBondContact O-N 3.03Å; K194-A355 WeakPolarHBondContact CD-O 3.35Å; K194-A355 PolarHBondContact NZ-O 3.19Å; K194-A355 VanDerWaalsContact NZ-O 3.15Å; K194-A356 VanDerWaalsContact CD-C 3.46Å; K194-A356 VanDerWaalsContact NZ-C 3.33Å; K194-A356 PolarHBondContact NZ-O 3.2Å | ||
| 195 | K | 43.4 | Very low | 47.6 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 54% | 0.539 | 68% | 0.68 | S | S | . | * | trans | 80.3 | 156.2 | 150.3 | -72.8 | -80.1 | 176.9 | 164.1 | 0 | 117.3 | S354 A355 | K195-S354 WeakPolarHBondContact CE-O 3.43Å; K195-S354 PolarHBondContact NZ-O 3.09Å; K195-A355 VanDerWaalsContact CE-O 3.3Å; K195-A355 WeakPolarHBondContact CE-O 3.05Å; K195-A355 WeakPolarHBondContact CG-O 3.48Å | ||
| 196 | P | 53.4 | Low | 50.2 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | -111.1 | 168 | -129.3 | 41.1 | -37.5 | 0 | 0 | 0 | 115.4 | |||||
| 197 | R | 38.5 | Very low | 53.3 | Low | 233 Ų | 233 | 115.1 Ų | 115.1 | 88% | 0.879 | 63% | 0.626 | S | S | * | * | trans | -150 | 116.8 | 156.5 | -164.8 | 171.5 | -173 | 121.8 | 1.1 | 110.3 | ||||
| 198 | E | 52.4 | Low | 55.8 | Low | 174 Ų | 174 | 111.4 Ų | 111.4 | 81% | 0.813 | 60% | 0.596 | S | S | * | * | trans | -64.1 | 156.8 | 179.8 | -61.2 | 98.5 | 135.7 | 0 | 0 | 112.8 | ||||
| 199 | G | 50.8 | Low | 58.1 | Low | 78 Ų | 78 | 108.8 Ų | 108.8 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 97.2 | 3.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 200 | K | 44.9 | Very low | 61.3 | Low | 204 Ų | 204 | 103.1 Ų | 103.1 | 89% | 0.887 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -141.3 | 8.3 | 177.7 | -137.4 | 77.4 | 176.3 | -173.1 | 0 | 117.9 | ||
| 201 | A | 49.3 | Very low | 63.6 | Low | 63 Ų | 63 | 96.9 Ų | 96.9 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | trans | -94.7 | -0.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S203 | A201-S203 PolarHBondContact O-N 3.07Š| ||
| 202 | G | 58.3 | Low | 66.5 | Low | 48 Ų | 48 | 92.5 Ų | 92.5 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 25.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 203 | S | 56.5 | Low | 68.7 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 74% | 0.741 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -44 | -172.5 | -167.5 | 0 | 0 | 0 | 0 | 114.8 | A201 | A201-S203 PolarHBondContact O-N 3.07Š|
| 204 | T | 66.7 | Low | 71 | Confident | 110 Ų | 110 | 81.5 Ų | 81.5 | 68% | 0.675 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | -6.5 | -163.9 | 50.2 | 0 | 0 | 0 | 0 | 116.7 | Y206 | T204-Y206 PolarHBondContact O-N 3Š|
| 205 | T | 86.7 | Confident | 72.9 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 16% | 0.16 | 42% | 0.419 | C | S | . | . | trans | -59.1 | 133.5 | -178.5 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | E209 W247 H250 | T205-E209 WeakPolarHBondContact CA-OE2 3.37Å; T205-W247 WeakPolarHBondContact O-CH2 3.42Å; T205-H250 WeakPolarHBondContact CB-NE2 3.48Å; T205-H250 WeakPolarHBondContact CG2-NE2 3.48Å; T205-H250 PolarHBondContact OG1-CD2 2.87Å; T205-H250 PolarHBondContact OG1-NE2 2.77Å | ||
| 206 | Y | 93.9 | Very high | 74.9 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 49% | 0.49 | 40% | 0.401 | S | S | . | . | trans | -80.2 | 160.6 | 170.7 | -63.8 | -67.5 | 0 | 0 | 0 | 111.2 | T204 W208 E209 F210 W247 | T204-Y206 PolarHBondContact O-N 3Å; Y206-W208 VanDerWaalsContact C-N 3.34Å; Y206-W208 AromaticContact CD2-NE1 3.84Å; Y206-W208 AromaticContact CG-NE1 3.83Å; Y206-E209 WeakPolarHBondContact CD2-OE1 3.16Å; Y206-E209 PolarHBondContact N-OE2 2.69Å; Y206-E209 PolarHBondContact O-N 3.36Å; Y206-F210 PolarHBondContact O-N 2.6Å; Y206-W247 VanDerWaalsContact C-CH2 3.45Å | ||
| 207 | L | 95 | Very high | 76.4 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 179.8 | 171 | 67.1 | 0 | 0 | 0 | 111.6 | E209 F210 L211 W247 M261 A264 L265 Y268 | L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.15Å; L207-F210 HydrophobicContact CD1-CD1 4.12Å; L207-F210 PolarHBondContact O-N 2.75Å; L207-L211 HydrophobicContact CD1-CD1 3.93Å; L207-L211 HydrophobicContact CD1-CD2 4.41Å; L207-L211 HydrophobicContact CD1-CG 3.93Å; L207-L211 HydrophobicContact CD2-CD1 4.38Å; L207-L211 HydrophobicContact CG-CD1 3.79Å; L207-L211 HydrophobicContact CG-CG 4.24Å; L207-L211 WeakPolarHBondContact O-CB 3.27Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.22Å; L207-L211 PolarHBondContact O-N 3.27Å; L207-W247 VanDerWaalsContact CA-CH2 3.48Å; L207-W247 HydrophobicContact CB-CH2 4Å; L207-W247 HydrophobicContact CB-CZ2 3.61Å; L207-W247 HydrophobicContact CD1-CD2 3.78Å; L207-W247 HydrophobicContact CD1-CE3 4.31Å; L207-W247 HydrophobicContact CD1-CG 3.91Å; L207-W247 HydrophobicContact CD1-CZ2 4.2Å; L207-W247 HydrophobicContact CG-CZ2 4.5Å; L207-M261 HydrophobicContact CD1-CG 3.79Å; L207-M261 HydrophobicContact CD1-SD 3.72Å; L207-M261 HydrophobicContact CD2-CG 3.48Å; L207-M261 VanDerWaalsContact CD2-CG 3.48Å; L207-M261 HydrophobicContact CD2-SD 4.38Å; L207-M261 HydrophobicContact CG-CG 4.3Å; L207-A264 HydrophobicContact CD2-CB 3.73Å; L207-L265 HydrophobicContact CD2-CD2 3.71Å; L207-L265 HydrophobicContact CD2-CG 3.9Å; L207-L265 HydrophobicContact CG-CD2 4.41Å; L207-Y268 HydrophobicContact CB-CE2 3.91Å; L207-Y268 HydrophobicContact CD2-CE2 4.27Å; L207-Y268 HydrophobicContact CG-CE2 4.29Å; L207-Y268 PolarHBondContact N-OH 3.17Å; L207-Y268 VanDerWaalsContact N-OH 3.13Å |
| 208 | W | 94.4 | Very high | 77.9 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -36 | 179.5 | 72.3 | -94.3 | 0 | 0 | 0 | 112.3 | Y206 L211 L212 Y268 I273 F286 | Y206-W208 VanDerWaalsContact C-N 3.34Å; Y206-W208 AromaticContact CD2-NE1 3.84Å; Y206-W208 AromaticContact CG-NE1 3.83Å; W208-L211 PolarHBondContact O-N 3.34Å; W208-L212 WeakPolarHBondContact O-CB 3.48Å; W208-L212 PolarHBondContact O-N 3.41Å; W208-Y268 HydrophobicContact CB-CD2 4.25Å; W208-Y268 HydrophobicContact CB-CE2 3.87Å; W208-Y268 AromaticContact CD1-CE1 3.89Å; W208-Y268 AromaticContact CD1-CZ 3.73Å; W208-I273 HydrophobicContact CB-CG2 4.12Å; W208-I273 HydrophobicContact CD2-CG2 4.27Å; W208-I273 HydrophobicContact CG-CG2 3.95Å; W208-F286 HydrophobicContact CB-CE1 4.41Å; W208-F286 HydrophobicContact CE3-CE1 4.36Å |
| 209 | E | 92.9 | Very high | 78.7 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -52 | 173.5 | -61.7 | 168.3 | 158.8 | 0 | 0 | 110.2 | T205 Y206 L207 L211 L212 D213 | T205-E209 WeakPolarHBondContact CA-OE2 3.37Å; Y206-E209 WeakPolarHBondContact CD2-OE1 3.16Å; Y206-E209 PolarHBondContact N-OE2 2.69Å; Y206-E209 PolarHBondContact O-N 3.36Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.15Å; E209-L211 VanDerWaalsContact C-N 3.28Å; E209-L211 PolarHBondContact O-N 2.85Å; E209-L212 WeakPolarHBondContact O-CA 3.22Å; E209-L212 WeakPolarHBondContact O-CB 3.45Å; E209-L212 PolarHBondContact O-N 2.94Å; E209-D213 PolarHBondContact O-N 2.91Å |
| 210 | F | 93.9 | Very high | 79.4 | Confident | 14 Ų | 14 | 63 Ų | 63 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -37.3 | 177.3 | 166.3 | -92.2 | 0 | 0 | 0 | 113 | Y206 L207 L214 L246 W247 H250 | Y206-F210 PolarHBondContact O-N 2.6Å; L207-F210 HydrophobicContact CD1-CD1 4.12Å; L207-F210 PolarHBondContact O-N 2.75Å; F210-L214 HydrophobicContact CE1-CD2 4.18Å; F210-L214 HydrophobicContact CZ-CD2 4.32Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.16Å; F210-L246 HydrophobicContact CE2-CG 4.25Å; F210-L246 HydrophobicContact CZ-CB 4.07Å; F210-L246 HydrophobicContact CZ-CD2 4.09Å; F210-L246 HydrophobicContact CZ-CG 3.85Å; F210-W247 HydrophobicContact CB-CE3 3.72Å; F210-W247 HydrophobicContact CB-CH2 4.43Å; F210-W247 HydrophobicContact CB-CZ3 3.47Å; F210-W247 VanDerWaalsContact CB-CZ3 3.47Å; F210-W247 HydrophobicContact CD1-CB 4.2Å; F210-W247 HydrophobicContact CD1-CD2 4.18Å; F210-W247 AromaticContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CG 4.48Å; F210-W247 HydrophobicContact CD1-CZ3 4.22Å; F210-W247 AromaticContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CZ3 4.29Å; F210-W247 HydrophobicContact CE1-CB 3.69Å; F210-W247 HydrophobicContact CE1-CE3 4.16Å; F210-W247 HydrophobicContact CE1-CG 4.43Å; F210-W247 HydrophobicContact CE2-CE3 4.42Å; F210-W247 HydrophobicContact CG-CD2 4.45Å; F210-W247 AromaticContact CG-CE3 3.42Å; F210-W247 HydrophobicContact CG-CE3 3.42Å; F210-W247 VanDerWaalsContact CG-CE3 3.42Å; F210-W247 AromaticContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CZ-CB 4.06Å; F210-H250 HydrophobicContact CD2-CB 4.19Å; F210-H250 AromaticContact CD2-CG 3.93Å; F210-H250 HydrophobicContact CE2-CB 4Å |
| 211 | L | 94.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.4 | -32.7 | 175.7 | -69.1 | 169 | 0 | 0 | 0 | 112.3 | L207 W208 E209 L215 I225 V243 L265 | L207-L211 HydrophobicContact CD1-CD1 3.93Å; L207-L211 HydrophobicContact CD1-CD2 4.41Å; L207-L211 HydrophobicContact CD1-CG 3.93Å; L207-L211 HydrophobicContact CD2-CD1 4.38Å; L207-L211 HydrophobicContact CG-CD1 3.79Å; L207-L211 HydrophobicContact CG-CG 4.24Å; L207-L211 WeakPolarHBondContact O-CB 3.27Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.22Å; L207-L211 PolarHBondContact O-N 3.27Å; W208-L211 PolarHBondContact O-N 3.34Å; E209-L211 VanDerWaalsContact C-N 3.28Å; E209-L211 PolarHBondContact O-N 2.85Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 WeakPolarHBondContact O-CD1 3.1Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.06Å; L211-L215 PolarHBondContact O-N 2.99Å; L211-I225 HydrophobicContact CB-CD1 4.4Å; L211-I225 HydrophobicContact CD2-CD1 3.69Å; L211-V243 HydrophobicContact CD2-CG1 3.61Å; L211-L265 HydrophobicContact CD1-CD2 3.73Å |
| 212 | L | 91.9 | Very high | 82 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.7 | -41 | 174 | -173.3 | 76.8 | 0 | 0 | 0 | 111.8 | W208 E209 L215 Q216 W227 F286 P290 I293 | W208-L212 WeakPolarHBondContact O-CB 3.48Å; W208-L212 PolarHBondContact O-N 3.41Å; E209-L212 WeakPolarHBondContact O-CA 3.22Å; E209-L212 WeakPolarHBondContact O-CB 3.45Å; E209-L212 PolarHBondContact O-N 2.94Å; L212-L215 PolarHBondContact O-N 3.36Å; L212-Q216 WeakPolarHBondContact O-CG 3.02Å; L212-Q216 PolarHBondContact O-N 2.85Å; L212-Q216 PolarHBondContact O-NE2 2.82Å; L212-W227 HydrophobicContact CD1-CH2 4.2Å; L212-W227 HydrophobicContact CD1-CZ2 4.31Å; L212-F286 HydrophobicContact CB-CZ 4.21Å; L212-F286 HydrophobicContact CD1-CE2 4.2Å; L212-F286 HydrophobicContact CD1-CZ 4.13Å; L212-P290 HydrophobicContact CD1-CB 4.42Å; L212-P290 HydrophobicContact CD1-CG 3.99Å; L212-P290 HydrophobicContact CD2-CB 3.73Å; L212-P290 HydrophobicContact CD2-CG 3.73Å; L212-I293 HydrophobicContact CD1-CD1 4.33Å; L212-I293 HydrophobicContact CD1-CG1 4.09Å |
| 213 | D | 90.7 | Very high | 83.4 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 43% | 0.428 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 172.8 | -69.1 | -24.8 | 0 | 0 | 0 | 110.4 | E209 L215 Q216 D217 | E209-D213 PolarHBondContact O-N 2.91Å; D213-L215 PolarHBondContact O-N 3.41Å; D213-Q216 WeakPolarHBondContact O-CA 3.43Å; D213-Q216 WeakPolarHBondContact O-CB 3.3Å; D213-Q216 PolarHBondContact O-N 3.34Å; D213-D217 PolarHBondContact O-N 2.86Å |
| 214 | L | 91.5 | Very high | 85 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -28.1 | 176.6 | -165.8 | 66 | 0 | 0 | 0 | 113.1 | F210 Q216 T220 C221 I225 V243 L246 | F210-L214 HydrophobicContact CE1-CD2 4.18Å; F210-L214 HydrophobicContact CZ-CD2 4.32Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.16Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; L214-T220 HydrophobicContact CD1-CG2 3.37Å; L214-T220 HydrophobicContact CG-CG2 4.35Å; L214-C221 PolarHBondContact O-SG 3.28Å; L214-C221 VanDerWaalsContact O-SG 3.41Å; L214-I225 HydrophobicContact CB-CG2 4.25Å; L214-I225 HydrophobicContact CD2-CB 4.37Å; L214-I225 HydrophobicContact CD2-CG2 3.89Å; L214-I225 HydrophobicContact CG-CG2 3.7Å; L214-V243 HydrophobicContact CD2-CG1 4.03Å; L214-V243 HydrophobicContact CD2-CG2 4.06Å; L214-L246 HydrophobicContact CD1-CD2 3.37Å; L214-L246 HydrophobicContact CD2-CD2 4.36Å |
| 215 | L | 90.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.6 | 174.5 | -84.1 | 164.6 | 0 | 0 | 0 | 114.2 | L211 L212 D213 I225 K226 W227 F235 F286 | L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 WeakPolarHBondContact O-CD1 3.1Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.06Å; L211-L215 PolarHBondContact O-N 2.99Å; L212-L215 PolarHBondContact O-N 3.36Å; D213-L215 PolarHBondContact O-N 3.41Å; L215-I225 HydrophobicContact CD1-CD1 4.07Å; L215-I225 HydrophobicContact CD1-CG1 4.44Å; L215-I225 HydrophobicContact CD2-CB 4.46Å; L215-I225 HydrophobicContact CD2-CD1 4.42Å; L215-I225 HydrophobicContact CD2-CG1 3.97Å; L215-I225 HydrophobicContact CD2-CG2 3.93Å; L215-I225 HydrophobicContact CG-CD1 3.98Å; L215-I225 HydrophobicContact CG-CG1 4.08Å; L215-I225 HydrophobicContact CG-CG2 3.94Å; L215-K226 VanDerWaalsContact CD2-C 3.46Å; L215-W227 HydrophobicContact CB-CH2 4.48Å; L215-W227 HydrophobicContact CB-CZ2 3.65Å; L215-W227 HydrophobicContact CD1-CH2 3.84Å; L215-W227 HydrophobicContact CD1-CZ2 3.82Å; L215-W227 HydrophobicContact CD1-CZ3 4.19Å; L215-W227 HydrophobicContact CD2-CD2 4.01Å; L215-W227 HydrophobicContact CD2-CG 4.11Å; L215-W227 HydrophobicContact CD2-CZ2 4.36Å; L215-W227 HydrophobicContact CG-CZ2 4.15Å; L215-W227 PolarHBondContact O-NE1 3.24Å; L215-W227 VanDerWaalsContact O-NE1 3.07Å; L215-F235 HydrophobicContact CD1-CB 3.7Å; L215-F235 HydrophobicContact CD1-CD1 4.11Å; L215-F235 HydrophobicContact CD1-CD2 3.91Å; L215-F235 HydrophobicContact CD1-CG 3.65Å; L215-F235 HydrophobicContact CD2-CB 4.08Å; L215-F286 HydrophobicContact CD1-CE2 4.12Å |
| 216 | Q | 86.9 | Confident | 86.7 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -14 | 171.4 | -67.9 | 166.4 | 92.7 | 0 | 0 | 112.5 | L212 D213 L214 K218 I296 | L212-Q216 WeakPolarHBondContact O-CG 3.02Å; L212-Q216 PolarHBondContact O-N 2.85Å; L212-Q216 PolarHBondContact O-NE2 2.82Å; D213-Q216 WeakPolarHBondContact O-CA 3.43Å; D213-Q216 WeakPolarHBondContact O-CB 3.3Å; D213-Q216 PolarHBondContact O-N 3.34Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; Q216-K218 PolarHBondContact O-N 3.23Å; Q216-I296 WeakPolarHBondContact O-CD1 3.44Å |
| 217 | D | 83.4 | Confident | 86.7 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | trans | -77.6 | 100.8 | 178.6 | -82.5 | -23 | 0 | 0 | 0 | 112.3 | D213 N219 T220 C221 | D213-D217 PolarHBondContact O-N 2.86Å; D217-N219 PolarHBondContact O-N 2.92Å; D217-T220 WeakPolarHBondContact CB-OG1 3.45Å; D217-T220 PolarHBondContact O-N 3.3Å; D217-C221 PolarHBondContact O-N 3.21Å | ||
| 218 | K | 70.8 | Confident | 86.6 | Confident | 142 Ų | 142 | 54.8 Ų | 54.8 | 62% | 0.617 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -32.3 | 176.7 | -65.9 | -151.6 | -177.7 | -149.9 | 0 | 114.6 | Q216 T220 I296 | Q216-K218 PolarHBondContact O-N 3.23Å; K218-T220 VanDerWaalsContact C-N 3.34Å; K218-I296 HydrophobicContact CD-CG2 3.97Å; K218-I296 HydrophobicContact CG-CD1 3.82Å; K218-I296 HydrophobicContact CG-CG1 4.44Å; K218-I296 HydrophobicContact CG-CG2 3.99Å |
| 219 | N | 69 | Low | 86.5 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.1 | -174.2 | -60.9 | 5 | 0 | 0 | 0 | 112.9 | D217 V351 | D217-N219 PolarHBondContact O-N 2.92Å; N219-V351 PolarHBondContact ND2-O 3.13Å |
| 220 | T | 65.9 | Low | 86.3 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -34.3 | -166.5 | -42.7 | 0 | 0 | 0 | 0 | 110.9 | L214 D217 K218 R223 Y224 L246 | L214-T220 HydrophobicContact CD1-CG2 3.37Å; L214-T220 HydrophobicContact CG-CG2 4.35Å; D217-T220 WeakPolarHBondContact CB-OG1 3.45Å; D217-T220 PolarHBondContact O-N 3.3Å; K218-T220 VanDerWaalsContact C-N 3.34Å; T220-R223 PolarHBondContact O-N 3.04Å; T220-Y224 HydrophobicContact CG2-CD2 3.58Å; T220-Y224 HydrophobicContact CG2-CE2 4.13Å; T220-Y224 WeakPolarHBondContact O-CD2 3.4Å; T220-Y224 PolarHBondContact O-N 2.98Å; T220-L246 HydrophobicContact CG2-CD2 4.34Å |
| 221 | C | 68.3 | Low | 86 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 154.9 | 150 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | L214 D217 I225 | L214-C221 PolarHBondContact O-SG 3.28Å; L214-C221 VanDerWaalsContact O-SG 3.41Å; D217-C221 PolarHBondContact O-N 3.21Å; C221-I225 WeakPolarHBondContact CA-O 3.38Å; C221-I225 PolarHBondContact SG-O 3.04Å; C221-I225 VanDerWaalsContact SG-O 3.36Å |
| 222 | P | 80.3 | Confident | 85.9 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -80.9 | 2.5 | -17.4 | 35.4 | -35.9 | 0 | 0 | 0 | 112.8 | Y224 I225 K226 V238 | P222-Y224 PolarHBondContact O-N 2.92Å; P222-I225 CarbonylContact C-O 3.41Å; P222-I225 WeakPolarHBondContact CA-O 3.4Å; P222-K226 HydrophobicContact CB-CB 3.97Å; P222-K226 HydrophobicContact CB-CD 4.03Å; P222-V238 WeakPolarHBondContact O-CG2 3.39Å |
| 223 | R | 87.7 | Confident | 85.9 | Confident | 170 Ų | 170 | 66.5 Ų | 66.5 | 64% | 0.642 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -38.6 | -165.7 | -176.4 | 174.9 | 178.3 | 172.4 | 0.5 | 114.3 | T220 | T220-R223 PolarHBondContact O-N 3.04Š|
| 224 | Y | 90.9 | Very high | 86.1 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -36.3 | -173.9 | -53.9 | -64.8 | 0 | 0 | 0 | 112.8 | T220 P222 V238 D239 A242 V243 | T220-Y224 HydrophobicContact CG2-CD2 3.58Å; T220-Y224 HydrophobicContact CG2-CE2 4.13Å; T220-Y224 WeakPolarHBondContact O-CD2 3.4Å; T220-Y224 PolarHBondContact O-N 2.98Å; P222-Y224 PolarHBondContact O-N 2.92Å; Y224-V238 PolarHBondContact O-N 3.44Å; Y224-D239 HydrophobicContact CD1-CB 4.26Å; Y224-D239 PolarHBondContact O-N 2.94Å; Y224-D239 VanDerWaalsContact O-N 3.11Å; Y224-A242 HydrophobicContact CD1-CB 3.28Å; Y224-A242 HydrophobicContact CE1-CB 3.55Å; Y224-A242 HydrophobicContact CG-CB 4.19Å; Y224-V243 VanDerWaalsContact O-CG2 3.32Å; Y224-V243 WeakPolarHBondContact O-CG2 3.3Å |
| 225 | I | 94.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 152.7 | 174.6 | -158.3 | 166.8 | 0 | 0 | 0 | 107.8 | L211 L214 L215 C221 P222 F235 K236 L237 V243 | L211-I225 HydrophobicContact CB-CD1 4.4Å; L211-I225 HydrophobicContact CD2-CD1 3.69Å; L214-I225 HydrophobicContact CB-CG2 4.25Å; L214-I225 HydrophobicContact CD2-CB 4.37Å; L214-I225 HydrophobicContact CD2-CG2 3.89Å; L214-I225 HydrophobicContact CG-CG2 3.7Å; L215-I225 HydrophobicContact CD1-CD1 4.07Å; L215-I225 HydrophobicContact CD1-CG1 4.44Å; L215-I225 HydrophobicContact CD2-CB 4.46Å; L215-I225 HydrophobicContact CD2-CD1 4.42Å; L215-I225 HydrophobicContact CD2-CG1 3.97Å; L215-I225 HydrophobicContact CD2-CG2 3.93Å; L215-I225 HydrophobicContact CG-CD1 3.98Å; L215-I225 HydrophobicContact CG-CG1 4.08Å; L215-I225 HydrophobicContact CG-CG2 3.94Å; C221-I225 WeakPolarHBondContact CA-O 3.38Å; C221-I225 PolarHBondContact SG-O 3.04Å; C221-I225 VanDerWaalsContact SG-O 3.36Å; P222-I225 CarbonylContact C-O 3.41Å; P222-I225 WeakPolarHBondContact CA-O 3.4Å; I225-F235 HydrophobicContact CD1-CD2 3.83Å; I225-F235 HydrophobicContact CD1-CE2 4.07Å; I225-F235 HydrophobicContact CG1-CD2 4.12Å; I225-K236 CarbonylContact C-O 3.51Å; I225-K236 WeakPolarHBondContact CA-O 3.27Å; I225-K236 WeakPolarHBondContact CG1-O 3.31Å; I225-L237 HydrophobicContact CD1-CD1 3.67Å; I225-L237 HydrophobicContact CD1-CG 4.17Å; I225-L237 HydrophobicContact CG1-CD1 4Å; I225-L237 HydrophobicContact CG1-CG 4.29Å; I225-V243 HydrophobicContact CB-CG2 4.38Å |
| 226 | K | 93.4 | Very high | 86.5 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 155.1 | 170.9 | 70.4 | 175.4 | -166.5 | 166 | 0 | 112.6 | L215 P222 F235 K236 V238 | L215-K226 VanDerWaalsContact CD2-C 3.46Å; P222-K226 HydrophobicContact CB-CB 3.97Å; P222-K226 HydrophobicContact CB-CD 4.03Å; K226-F235 CarbonylContact O-C 3.58Å; K226-F235 VanDerWaalsContact O-CA 3.28Å; K226-F235 WeakPolarHBondContact O-CA 3.37Å; K226-F235 WeakPolarHBondContact O-CB 3.47Å; K226-K236 PolarHBondContact N-O 3.46Å; K226-K236 PolarHBondContact O-N 2.92Å; K226-V238 HydrophobicContact CD-CG2 4.3Å; K226-V238 HydrophobicContact CG-CG2 3.96Å |
| 227 | W | 93.4 | Very high | 87 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 144.3 | 162.4 | -62.3 | 104.3 | 0 | 0 | 0 | 110 | L212 L215 R230 F235 F286 M289 I293 | L212-W227 HydrophobicContact CD1-CH2 4.2Å; L212-W227 HydrophobicContact CD1-CZ2 4.31Å; L215-W227 HydrophobicContact CB-CH2 4.48Å; L215-W227 HydrophobicContact CB-CZ2 3.65Å; L215-W227 HydrophobicContact CD1-CH2 3.84Å; L215-W227 HydrophobicContact CD1-CZ2 3.82Å; L215-W227 HydrophobicContact CD1-CZ3 4.19Å; L215-W227 HydrophobicContact CD2-CD2 4.01Å; L215-W227 HydrophobicContact CD2-CG 4.11Å; L215-W227 HydrophobicContact CD2-CZ2 4.36Å; L215-W227 HydrophobicContact CG-CZ2 4.15Å; L215-W227 PolarHBondContact O-NE1 3.24Å; L215-W227 VanDerWaalsContact O-NE1 3.07Å; W227-R230 HydrophobicContact CB-CB 4.25Å; W227-R230 HydrophobicContact CD2-CB 4.47Å; W227-R230 HydrophobicContact CD2-CG 4.46Å; W227-R230 HydrophobicContact CG-CB 4.26Å; W227-R230 HydrophobicContact CG-CG 4.48Å; W227-F235 HydrophobicContact CE3-CB 3.99Å; W227-F235 HydrophobicContact CZ3-CB 4.19Å; W227-F235 HydrophobicContact CZ3-CD1 4.34Å; W227-F286 AromaticContact CH2-CD2 3.97Å; W227-F286 HydrophobicContact CH2-CD2 3.97Å; W227-F286 AromaticContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CZ3-CD2 4.05Å; W227-F286 HydrophobicContact CZ3-CE2 4.2Å; W227-M289 HydrophobicContact CH2-CE 3.63Å; W227-M289 HydrophobicContact CH2-SD 4.49Å; W227-M289 HydrophobicContact CZ3-CE 3.81Å; W227-M289 HydrophobicContact CZ3-SD 4.49Å; W227-I293 HydrophobicContact CH2-CD1 4.35Å; W227-I293 HydrophobicContact CZ2-CD1 4.33Å |
| 228 | T | 93.3 | Very high | 87.6 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | -28.5 | 169.9 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | I234 K236 | T228-I234 PolarHBondContact N-O 2.95Å; T228-I234 WeakPolarHBondContact OG1-CG2 3.49Å; T228-I234 PolarHBondContact OG1-O 3.05Å; T228-K236 HydrophobicContact CG2-CB 3.71Å |
| 229 | Q | 91.9 | Very high | 88.8 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 92.7 | 170.1 | -95.2 | 161 | 81.8 | 0 | 0 | 105.2 | E231 K232 G233 I234 | Q229-E231 VanDerWaalsContact C-N 3.33Å; Q229-E231 WeakPolarHBondContact CA-OE2 3.41Å; Q229-E231 WeakPolarHBondContact CB-OE1 3.28Å; Q229-E231 VanDerWaalsContact CG-OE1 3.27Å; Q229-E231 WeakPolarHBondContact CG-OE1 3.43Å; Q229-K232 HydrophobicContact CB-CB 4.35Å; Q229-K232 PolarHBondContact O-N 3.48Å; Q229-G233 PolarHBondContact O-N 3.49Å; Q229-I234 HydrophobicContact CB-CB 4.05Å; Q229-I234 HydrophobicContact CB-CD1 4.11Å; Q229-I234 HydrophobicContact CB-CG1 4.18Å; Q229-I234 PolarHBondContact N-O 2.97Å; Q229-I234 VanDerWaalsContact N-O 3.15Å; Q229-I234 PolarHBondContact O-N 2.97Å |
| 230 | R | 88.8 | Confident | 90.1 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -42.7 | -173.1 | 176.3 | -174.9 | -78.6 | 166.6 | -2.6 | 110.4 | W227 K232 G233 I296 D297 | W227-R230 HydrophobicContact CB-CB 4.25Å; W227-R230 HydrophobicContact CD2-CB 4.47Å; W227-R230 HydrophobicContact CD2-CG 4.46Å; W227-R230 HydrophobicContact CG-CB 4.26Å; W227-R230 HydrophobicContact CG-CG 4.48Å; R230-K232 VanDerWaalsContact C-N 3.29Å; R230-K232 PolarHBondContact O-N 2.84Å; R230-G233 PolarHBondContact O-N 3.31Å; R230-I296 VanDerWaalsContact CZ-O 3.27Å; R230-I296 PolarHBondContact NH1-O 2.86Å; R230-I296 PolarHBondContact NH2-O 3.36Å; R230-D297 IonicContact NH1-OD1 2.67Å |
| 231 | E | 89.1 | Confident | 91.5 | Very high | 127 Ų | 127 | 62.4 Ų | 62.4 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.6 | -178.8 | 75 | -52.4 | 142.1 | 0 | 0 | 113.6 | Q229 | Q229-E231 VanDerWaalsContact C-N 3.33Å; Q229-E231 WeakPolarHBondContact CA-OE2 3.41Å; Q229-E231 WeakPolarHBondContact CB-OE1 3.28Å; Q229-E231 VanDerWaalsContact CG-OE1 3.27Å; Q229-E231 WeakPolarHBondContact CG-OE1 3.43Å |
| 232 | K | 91.1 | Very high | 92.8 | Very high | 111 Ų | 111 | 62.2 Ų | 62.2 | 48% | 0.483 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 4.8 | 172.7 | -64 | 173.9 | -149.2 | 166.4 | 0 | 113.3 | Q229 R230 I234 Q285 | Q229-K232 HydrophobicContact CB-CB 4.35Å; Q229-K232 PolarHBondContact O-N 3.48Å; R230-K232 VanDerWaalsContact C-N 3.29Å; R230-K232 PolarHBondContact O-N 2.84Å; K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 HydrophobicContact CB-CD1 4.07Å; K232-I234 HydrophobicContact CB-CG1 3.91Å; K232-I234 PolarHBondContact O-N 3.04Å; K232-Q285 WeakPolarHBondContact O-CG 3.29Å; K232-Q285 PolarHBondContact O-NE2 2.82Å |
| 233 | G | 92.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 24.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q229 R230 Q285 F286 M289 | Q229-G233 PolarHBondContact O-N 3.49Å; R230-G233 PolarHBondContact O-N 3.31Å; G233-Q285 WeakPolarHBondContact O-CA 3.38Å; G233-F286 PolarHBondContact O-N 2.93Å; G233-M289 WeakPolarHBondContact CA-SD 3.4Å |
| 234 | I | 94.8 | Very high | 94 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.9 | 180 | -45.1 | 179.3 | 0 | 0 | 0 | 110.2 | T228 Q229 K232 V277 V283 Y284 Q285 | T228-I234 PolarHBondContact N-O 2.95Å; T228-I234 WeakPolarHBondContact OG1-CG2 3.49Å; T228-I234 PolarHBondContact OG1-O 3.05Å; Q229-I234 HydrophobicContact CB-CB 4.05Å; Q229-I234 HydrophobicContact CB-CD1 4.11Å; Q229-I234 HydrophobicContact CB-CG1 4.18Å; Q229-I234 PolarHBondContact N-O 2.97Å; Q229-I234 VanDerWaalsContact N-O 3.15Å; Q229-I234 PolarHBondContact O-N 2.97Å; K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 HydrophobicContact CB-CD1 4.07Å; K232-I234 HydrophobicContact CB-CG1 3.91Å; K232-I234 PolarHBondContact O-N 3.04Å; I234-V277 HydrophobicContact CG2-CG2 3.82Å; I234-V283 HydrophobicContact CG2-CG1 3.53Å; I234-Y284 CarbonylContact C-O 3.47Å; I234-Y284 WeakPolarHBondContact CA-O 3.36Å; I234-Y284 WeakPolarHBondContact CG2-O 3.49Å; I234-Q285 HydrophobicContact CG1-CB 4.1Å; I234-Q285 HydrophobicContact CG1-CG 3.85Å |
| 235 | F | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.2 | -180 | 66.4 | -86.4 | 0 | 0 | 0 | 112.3 | L215 I225 K226 W227 L237 L274 V283 Y284 F286 | L215-F235 HydrophobicContact CD1-CB 3.7Å; L215-F235 HydrophobicContact CD1-CD1 4.11Å; L215-F235 HydrophobicContact CD1-CD2 3.91Å; L215-F235 HydrophobicContact CD1-CG 3.65Å; L215-F235 HydrophobicContact CD2-CB 4.08Å; I225-F235 HydrophobicContact CD1-CD2 3.83Å; I225-F235 HydrophobicContact CD1-CE2 4.07Å; I225-F235 HydrophobicContact CG1-CD2 4.12Å; K226-F235 CarbonylContact O-C 3.58Å; K226-F235 VanDerWaalsContact O-CA 3.28Å; K226-F235 WeakPolarHBondContact O-CA 3.37Å; K226-F235 WeakPolarHBondContact O-CB 3.47Å; W227-F235 HydrophobicContact CE3-CB 3.99Å; W227-F235 HydrophobicContact CZ3-CB 4.19Å; W227-F235 HydrophobicContact CZ3-CD1 4.34Å; F235-L237 HydrophobicContact CD2-CD1 3.95Å; F235-L237 HydrophobicContact CE2-CD1 3.68Å; F235-L274 HydrophobicContact CE1-CD2 3.87Å; F235-L274 HydrophobicContact CZ-CD1 4.39Å; F235-L274 HydrophobicContact CZ-CD2 4.04Å; F235-V283 WeakPolarHBondContact O-CA 3.45Å; F235-Y284 WeakPolarHBondContact CD1-O 3.33Å; F235-Y284 HydrophobicContact CD2-CD2 4.5Å; F235-Y284 AromaticContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CG 4.19Å; F235-Y284 VanDerWaalsContact CZ-CB 3.49Å; F235-Y284 HydrophobicContact CZ-CD2 4.4Å; F235-Y284 HydrophobicContact CZ-CG 4.15Å; F235-Y284 PolarHBondContact N-O 3.34Å; F235-Y284 PolarHBondContact O-N 3.11Å; F235-F286 AromaticContact CD1-CD2 3.63Å; F235-F286 HydrophobicContact CD1-CD2 3.63Å; F235-F286 AromaticContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CE2 3.5Å; F235-F286 VanDerWaalsContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CZ 4.49Å; F235-F286 AromaticContact CE1-CD2 3.45Å; F235-F286 HydrophobicContact CE1-CD2 3.45Å; F235-F286 VanDerWaalsContact CE1-CD2 3.45Å; F235-F286 AromaticContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CG 4.23Å; F235-F286 AromaticContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CG-CE2 4.47Å; F235-F286 HydrophobicContact CZ-CE2 4.02Å; F235-F286 HydrophobicContact CZ-CZ 4.27Å |
| 236 | K | 95.6 | Very high | 94.2 | Very high | 79 Ų | 79 | 58 Ų | 58 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.4 | 177.9 | -175.1 | 166.4 | -171.6 | 173.3 | 0 | 110.8 | I225 K226 T228 V238 L282 V283 | I225-K236 CarbonylContact C-O 3.51Å; I225-K236 WeakPolarHBondContact CA-O 3.27Å; I225-K236 WeakPolarHBondContact CG1-O 3.31Å; K226-K236 PolarHBondContact N-O 3.46Å; K226-K236 PolarHBondContact O-N 2.92Å; T228-K236 HydrophobicContact CG2-CB 3.71Å; K236-V238 PolarHBondContact O-N 3Å; K236-L282 WeakPolarHBondContact CA-O 3.37Å; K236-V283 HydrophobicContact CB-CG2 3.98Å; K236-V283 HydrophobicContact CD-CG2 3.77Å; K236-V283 HydrophobicContact CG-CG2 3.77Å |
| 237 | L | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.4 | 162.3 | -83.4 | 66.8 | 0 | 0 | 0 | 107.4 | I225 F235 V243 M261 L282 Y284 | I225-L237 HydrophobicContact CD1-CD1 3.67Å; I225-L237 HydrophobicContact CD1-CG 4.17Å; I225-L237 HydrophobicContact CG1-CD1 4Å; I225-L237 HydrophobicContact CG1-CG 4.29Å; F235-L237 HydrophobicContact CD2-CD1 3.95Å; F235-L237 HydrophobicContact CE2-CD1 3.68Å; L237-V243 HydrophobicContact CD2-CB 4.24Å; L237-V243 HydrophobicContact CD2-CG1 4.03Å; L237-V243 HydrophobicContact CG-CG1 4.38Å; L237-V243 HydrophobicContact CG-CG2 4.27Å; L237-M261 HydrophobicContact CD2-CE 3.86Å; L237-L282 HydrophobicContact CB-CB 4.2Å; L237-L282 PolarHBondContact N-O 2.98Å; L237-L282 WeakPolarHBondContact O-CB 3.19Å; L237-Y284 HydrophobicContact CD1-CD2 3.94Å; L237-Y284 HydrophobicContact CD1-CE2 3.9Å |
| 238 | V | 95.5 | Very high | 94.4 | Very high | 73 Ų | 73 | 53 Ų | 53 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -83.2 | -44.5 | -179.3 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | P222 Y224 K226 K236 | P222-V238 WeakPolarHBondContact O-CG2 3.39Å; Y224-V238 PolarHBondContact O-N 3.44Å; K226-V238 HydrophobicContact CD-CG2 4.3Å; K226-V238 HydrophobicContact CG-CG2 3.96Å; K236-V238 PolarHBondContact O-N 3Å |
| 239 | D | 95.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | trans | -123.7 | 96 | 168.1 | -179.7 | -6.3 | 0 | 0 | 0 | 109.9 | Y224 K241 A242 V243 | Y224-D239 HydrophobicContact CD1-CB 4.26Å; Y224-D239 PolarHBondContact O-N 2.94Å; Y224-D239 VanDerWaalsContact O-N 3.11Å; D239-K241 PolarHBondContact O-N 3.06Å; D239-K241 WeakPolarHBondContact OD1-CA 3.37Å; D239-K241 VanDerWaalsContact OD1-CB 3.3Å; D239-K241 WeakPolarHBondContact OD1-CB 3.39Å; D239-K241 PolarHBondContact OD1-N 3.27Å; D239-A242 HydrophobicContact CB-CB 4.01Å; D239-A242 VanDerWaalsContact CG-CB 3.47Å; D239-A242 PolarHBondContact O-N 2.92Å; D239-A242 PolarHBondContact OD1-N 3.48Å; D239-A242 VanDerWaalsContact OD2-CB 3.22Å; D239-A242 WeakPolarHBondContact OD2-CB 3.35Å; D239-V243 WeakPolarHBondContact O-CG2 3.38Å; D239-V243 PolarHBondContact O-N 3.04Å | ||
| 240 | S | 96.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -24.6 | 177.7 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | S244 | S240-S244 WeakPolarHBondContact O-CB 3.43Å; S240-S244 PolarHBondContact O-N 2.87Å; S240-S244 PolarHBondContact O-OG 2.62Å |
| 241 | K | 96.4 | Very high | 94.6 | Very high | 159 Ų | 159 | 58.5 Ų | 58.5 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74 | -46 | 176.7 | -60.4 | 177.5 | 179.6 | 176.2 | 0 | 110 | D239 S244 K245 | D239-K241 PolarHBondContact O-N 3.06Å; D239-K241 WeakPolarHBondContact OD1-CA 3.37Å; D239-K241 VanDerWaalsContact OD1-CB 3.3Å; D239-K241 WeakPolarHBondContact OD1-CB 3.39Å; D239-K241 PolarHBondContact OD1-N 3.27Å; K241-S244 PolarHBondContact O-N 3.29Å; K241-K245 WeakPolarHBondContact O-CG 3.45Å; K241-K245 PolarHBondContact O-N 3.19Å |
| 242 | A | 95.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y224 D239 S244 K245 L246 | Y224-A242 HydrophobicContact CD1-CB 3.28Å; Y224-A242 HydrophobicContact CE1-CB 3.55Å; Y224-A242 HydrophobicContact CG-CB 4.19Å; D239-A242 HydrophobicContact CB-CB 4.01Å; D239-A242 VanDerWaalsContact CG-CB 3.47Å; D239-A242 PolarHBondContact O-N 2.92Å; D239-A242 PolarHBondContact OD1-N 3.48Å; D239-A242 VanDerWaalsContact OD2-CB 3.22Å; D239-A242 WeakPolarHBondContact OD2-CB 3.35Å; A242-S244 VanDerWaalsContact C-N 3.26Å; A242-S244 PolarHBondContact O-N 2.72Å; A242-K245 PolarHBondContact O-N 2.97Å; A242-L246 WeakPolarHBondContact O-CB 3.22Å; A242-L246 PolarHBondContact O-N 3.01Å |
| 243 | V | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | L211 L214 Y224 I225 L237 D239 L246 W247 M261 | L211-V243 HydrophobicContact CD2-CG1 3.61Å; L214-V243 HydrophobicContact CD2-CG1 4.03Å; L214-V243 HydrophobicContact CD2-CG2 4.06Å; Y224-V243 VanDerWaalsContact O-CG2 3.32Å; Y224-V243 WeakPolarHBondContact O-CG2 3.3Å; I225-V243 HydrophobicContact CB-CG2 4.38Å; L237-V243 HydrophobicContact CD2-CB 4.24Å; L237-V243 HydrophobicContact CD2-CG1 4.03Å; L237-V243 HydrophobicContact CG-CG1 4.38Å; L237-V243 HydrophobicContact CG-CG2 4.27Å; D239-V243 WeakPolarHBondContact O-CG2 3.38Å; D239-V243 PolarHBondContact O-N 3.04Å; V243-L246 PolarHBondContact O-N 3.2Å; V243-W247 WeakPolarHBondContact O-CB 3.33Å; V243-W247 PolarHBondContact O-N 2.64Å; V243-M261 HydrophobicContact CG1-CE 3.98Å; V243-M261 HydrophobicContact CG1-SD 4.24Å |
| 244 | S | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 113 | S240 K241 A242 L246 W247 G248 M256 N257 Y258 M261 | S240-S244 WeakPolarHBondContact O-CB 3.43Å; S240-S244 PolarHBondContact O-N 2.87Å; S240-S244 PolarHBondContact O-OG 2.62Å; K241-S244 PolarHBondContact O-N 3.29Å; A242-S244 VanDerWaalsContact C-N 3.26Å; A242-S244 PolarHBondContact O-N 2.72Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.9Å; S244-W247 PolarHBondContact O-N 3.1Å; S244-G248 PolarHBondContact O-N 3.3Å; S244-M256 WeakPolarHBondContact O-CG 3.36Å; S244-N257 VanDerWaalsContact CB-C 3.5Å; S244-Y258 WeakPolarHBondContact OG-CA 3.32Å; S244-Y258 WeakPolarHBondContact OG-CB 3.36Å; S244-Y258 PolarHBondContact OG-N 2.67Å; S244-Y258 VanDerWaalsContact OG-N 3.1Å; S244-M261 WeakPolarHBondContact OG-CE 3.45Å |
| 245 | K | 95.6 | Very high | 94.9 | Very high | 155 Ų | 155 | 70.4 Ų | 70.4 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 174.3 | -75.6 | -178.3 | 176.6 | -173.1 | 0 | 112.1 | K241 A242 G248 K249 | K241-K245 WeakPolarHBondContact O-CG 3.45Å; K241-K245 PolarHBondContact O-N 3.19Å; A242-K245 PolarHBondContact O-N 2.97Å; K245-G248 PolarHBondContact O-N 3.34Å; K245-K249 PolarHBondContact O-N 3.37Å |
| 246 | L | 94.9 | Very high | 95 | Very high | 62 Ų | 62 | 71.8 Ų | 71.8 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 179 | -169.5 | 65 | 0 | 0 | 0 | 111.6 | F210 L214 T220 A242 V243 S244 G248 K249 H250 | F210-L246 HydrophobicContact CE2-CG 4.25Å; F210-L246 HydrophobicContact CZ-CB 4.07Å; F210-L246 HydrophobicContact CZ-CD2 4.09Å; F210-L246 HydrophobicContact CZ-CG 3.85Å; L214-L246 HydrophobicContact CD1-CD2 3.37Å; L214-L246 HydrophobicContact CD2-CD2 4.36Å; T220-L246 HydrophobicContact CG2-CD2 4.34Å; A242-L246 WeakPolarHBondContact O-CB 3.22Å; A242-L246 PolarHBondContact O-N 3.01Å; V243-L246 PolarHBondContact O-N 3.2Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.9Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.93Å; L246-K249 PolarHBondContact O-N 3.3Å; L246-H250 WeakPolarHBondContact O-CB 3.2Å; L246-H250 PolarHBondContact O-N 2.95Å |
| 247 | W | 95.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 71.4 Ų | 71.4 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 169.5 | 177.3 | -129.4 | 0 | 0 | 0 | 112.1 | T205 Y206 L207 F210 V243 S244 H250 K251 M256 M261 | T205-W247 WeakPolarHBondContact O-CH2 3.42Å; Y206-W247 VanDerWaalsContact C-CH2 3.45Å; L207-W247 VanDerWaalsContact CA-CH2 3.48Å; L207-W247 HydrophobicContact CB-CH2 4Å; L207-W247 HydrophobicContact CB-CZ2 3.61Å; L207-W247 HydrophobicContact CD1-CD2 3.78Å; L207-W247 HydrophobicContact CD1-CE3 4.31Å; L207-W247 HydrophobicContact CD1-CG 3.91Å; L207-W247 HydrophobicContact CD1-CZ2 4.2Å; L207-W247 HydrophobicContact CG-CZ2 4.5Å; F210-W247 HydrophobicContact CB-CE3 3.72Å; F210-W247 HydrophobicContact CB-CH2 4.43Å; F210-W247 HydrophobicContact CB-CZ3 3.47Å; F210-W247 VanDerWaalsContact CB-CZ3 3.47Å; F210-W247 HydrophobicContact CD1-CB 4.2Å; F210-W247 HydrophobicContact CD1-CD2 4.18Å; F210-W247 AromaticContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CE3 3.57Å; F210-W247 HydrophobicContact CD1-CG 4.48Å; F210-W247 HydrophobicContact CD1-CZ3 4.22Å; F210-W247 AromaticContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CE3 3.89Å; F210-W247 HydrophobicContact CD2-CZ3 4.29Å; F210-W247 HydrophobicContact CE1-CB 3.69Å; F210-W247 HydrophobicContact CE1-CE3 4.16Å; F210-W247 HydrophobicContact CE1-CG 4.43Å; F210-W247 HydrophobicContact CE2-CE3 4.42Å; F210-W247 HydrophobicContact CG-CD2 4.45Å; F210-W247 AromaticContact CG-CE3 3.42Å; F210-W247 HydrophobicContact CG-CE3 3.42Å; F210-W247 VanDerWaalsContact CG-CE3 3.42Å; F210-W247 AromaticContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CG-CZ3 3.74Å; F210-W247 HydrophobicContact CZ-CB 4.06Å; V243-W247 WeakPolarHBondContact O-CB 3.33Å; V243-W247 PolarHBondContact O-N 2.64Å; S244-W247 PolarHBondContact O-N 3.1Å; W247-H250 HydrophobicContact CE3-CB 4.47Å; W247-H250 AromaticContact CZ3-CD2 3.76Å; W247-H250 PolarHBondContact O-N 3.49Å; W247-K251 HydrophobicContact CD2-CD 4.23Å; W247-K251 HydrophobicContact CD2-CG 4.38Å; W247-K251 HydrophobicContact CE3-CD 4.18Å; W247-K251 HydrophobicContact CE3-CG 4.13Å; W247-K251 HydrophobicContact CH2-CD 3.35Å; W247-K251 HydrophobicContact CH2-CG 4.1Å; W247-K251 HydrophobicContact CZ2-CD 3.34Å; W247-K251 HydrophobicContact CZ2-CG 4.3Å; W247-K251 HydrophobicContact CZ3-CD 3.76Å; W247-K251 HydrophobicContact CZ3-CG 3.98Å; W247-K251 PolarHBondContact O-N 3.43Å; W247-K251 VanDerWaalsContact O-N 3.07Å; W247-M256 HydrophobicContact CB-CG 4.49Å; W247-M256 HydrophobicContact CG-CG 4.37Å; W247-M261 HydrophobicContact CB-SD 4.1Å; W247-M261 HydrophobicContact CG-SD 4.21Å |
| 248 | G | 95.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 73.9 Ų | 73.9 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.7 | -51.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S244 K245 L246 H250 K251 N252 K253 | S244-G248 PolarHBondContact O-N 3.3Å; K245-G248 PolarHBondContact O-N 3.34Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.93Å; G248-H250 VanDerWaalsContact C-N 3.35Å; G248-H250 PolarHBondContact O-N 3.35Å; G248-K251 CarbonylContact O-C 3.52Å; G248-K251 PolarHBondContact O-N 2.86Å; G248-N252 WeakPolarHBondContact O-CA 3.48Å; G248-N252 PolarHBondContact O-N 3.37Å; G248-K253 CarbonylContact C-O 3.59Å; G248-K253 WeakPolarHBondContact CA-O 3.23Å; G248-K253 PolarHBondContact O-N 3.4Å |
| 249 | K | 93.9 | Very high | 95.2 | Very high | 172 Ų | 172 | 74.4 Ų | 74.4 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.2 | -45.7 | 175.3 | -172.5 | -179 | -180 | -176.1 | 0 | 111.7 | K245 L246 K251 N252 | K245-K249 PolarHBondContact O-N 3.37Å; L246-K249 PolarHBondContact O-N 3.3Å; K249-K251 VanDerWaalsContact C-N 3.31Å; K249-K251 PolarHBondContact O-N 3.44Å; K249-N252 PolarHBondContact O-N 2.91Å |
| 250 | H | 91.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 75.1 Ų | 75.1 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 179.1 | -174.6 | 81.1 | 0 | 0 | 0 | 113.3 | T205 F210 L246 W247 G248 | T205-H250 WeakPolarHBondContact CB-NE2 3.48Å; T205-H250 WeakPolarHBondContact CG2-NE2 3.48Å; T205-H250 PolarHBondContact OG1-CD2 2.87Å; T205-H250 PolarHBondContact OG1-NE2 2.77Å; F210-H250 HydrophobicContact CD2-CB 4.19Å; F210-H250 AromaticContact CD2-CG 3.93Å; F210-H250 HydrophobicContact CE2-CB 4Å; L246-H250 WeakPolarHBondContact O-CB 3.2Å; L246-H250 PolarHBondContact O-N 2.95Å; W247-H250 HydrophobicContact CE3-CB 4.47Å; W247-H250 AromaticContact CZ3-CD2 3.76Å; W247-H250 PolarHBondContact O-N 3.49Å; G248-H250 VanDerWaalsContact C-N 3.35Å; G248-H250 PolarHBondContact O-N 3.35Å |
| 251 | K | 92.6 | Very high | 95.2 | Very high | 79 Ų | 79 | 74.2 Ų | 74.2 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 10.7 | 179.5 | -64.6 | -160.1 | 64.2 | 153.7 | 0 | 115.2 | W247 G248 K249 K253 | W247-K251 HydrophobicContact CD2-CD 4.23Å; W247-K251 HydrophobicContact CD2-CG 4.38Å; W247-K251 HydrophobicContact CE3-CD 4.18Å; W247-K251 HydrophobicContact CE3-CG 4.13Å; W247-K251 HydrophobicContact CH2-CD 3.35Å; W247-K251 HydrophobicContact CH2-CG 4.1Å; W247-K251 HydrophobicContact CZ2-CD 3.34Å; W247-K251 HydrophobicContact CZ2-CG 4.3Å; W247-K251 HydrophobicContact CZ3-CD 3.76Å; W247-K251 HydrophobicContact CZ3-CG 3.98Å; W247-K251 PolarHBondContact O-N 3.43Å; W247-K251 VanDerWaalsContact O-N 3.07Å; G248-K251 CarbonylContact O-C 3.52Å; G248-K251 PolarHBondContact O-N 2.86Å; K249-K251 VanDerWaalsContact C-N 3.31Å; K249-K251 PolarHBondContact O-N 3.44Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 3.48Å |
| 252 | N | 93.4 | Very high | 95.3 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 76% | 0.759 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 49.2 | -172.3 | -161.2 | 35.5 | 0 | 0 | 0 | 113.5 | G248 K249 | G248-N252 WeakPolarHBondContact O-CA 3.48Å; G248-N252 PolarHBondContact O-N 3.37Å; K249-N252 PolarHBondContact O-N 2.91Å |
| 253 | K | 94 | Very high | 95.3 | Very high | 123 Ų | 123 | 71.7 Ų | 71.7 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | trans | -122.2 | 92.2 | 174.7 | -70.8 | -58 | -174.5 | -175.6 | 0 | 109.2 | G248 K251 D255 M256 | G248-K253 CarbonylContact C-O 3.59Å; G248-K253 WeakPolarHBondContact CA-O 3.23Å; G248-K253 PolarHBondContact O-N 3.4Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 3.48Å; K253-D255 VanDerWaalsContact C-N 3.28Å; K253-D255 PolarHBondContact O-N 2.97Å; K253-M256 HydrophobicContact CB-CB 4.4Å; K253-M256 HydrophobicContact CB-CE 4.13Å; K253-M256 VanDerWaalsContact O-CB 3.29Å; K253-M256 WeakPolarHBondContact O-CB 3.17Å; K253-M256 PolarHBondContact O-N 3.29Å | ||
| 254 | P | 91.9 | Very high | 95.3 | Very high | 107 Ų | 107 | 73 Ų | 73 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -34.2 | -174.9 | 24.8 | -32.7 | 0 | 0 | 0 | 112.6 | M256 | P254-M256 PolarHBondContact O-N 3.17Å; P254-M256 VanDerWaalsContact O-N 3.11Å |
| 255 | D | 94.9 | Very high | 95.3 | Very high | 132 Ų | 132 | 73 Ų | 73 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 7.5 | -177.7 | -37.1 | -74.7 | 0 | 0 | 0 | 113.8 | K253 N257 | K253-D255 VanDerWaalsContact C-N 3.28Å; K253-D255 PolarHBondContact O-N 2.97Å; D255-N257 PolarHBondContact O-N 2.06Å; D255-N257 PolarHBondContact O-ND2 2.74Å |
| 256 | M | 97 | Very high | 95.4 | Very high | 30 Ų | 30 | 71.1 Ų | 71.1 | 15% | 0.148 | 35% | 0.347 | C | S | . | . | trans | -67.2 | 117.8 | -178.4 | -172.5 | 62 | 65.4 | 0 | 0 | 111.3 | S244 W247 K253 P254 T260 M261 | S244-M256 WeakPolarHBondContact O-CG 3.36Å; W247-M256 HydrophobicContact CB-CG 4.49Å; W247-M256 HydrophobicContact CG-CG 4.37Å; K253-M256 HydrophobicContact CB-CB 4.4Å; K253-M256 HydrophobicContact CB-CE 4.13Å; K253-M256 VanDerWaalsContact O-CB 3.29Å; K253-M256 WeakPolarHBondContact O-CB 3.17Å; K253-M256 PolarHBondContact O-N 3.29Å; P254-M256 PolarHBondContact O-N 3.17Å; P254-M256 VanDerWaalsContact O-N 3.11Å; M256-T260 HydrophobicContact SD-CG2 4.2Å; M256-M261 HydrophobicContact SD-CB 4.18Å | ||
| 257 | N | 97.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 75.5 Ų | 75.5 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | trans | -129.3 | 168.7 | -178 | 64.8 | 76.4 | 0 | 0 | 0 | 110.3 | S244 D255 E259 T260 M261 | S244-N257 VanDerWaalsContact CB-C 3.5Å; D255-N257 PolarHBondContact O-N 2.06Å; D255-N257 PolarHBondContact O-ND2 2.74Å; N257-E259 VanDerWaalsContact C-N 3.31Å; N257-E259 PolarHBondContact O-N 3.11Å; N257-E259 WeakPolarHBondContact OD1-CA 3.47Å; N257-E259 WeakPolarHBondContact OD1-CB 3.44Å; N257-E259 PolarHBondContact OD1-N 3.22Å; N257-T260 PolarHBondContact ND2-OG1 3.48Å; N257-T260 PolarHBondContact O-N 3.45Å; N257-T260 PolarHBondContact OD1-N 3.29Å; N257-T260 PolarHBondContact OD1-OG1 3.35Å; N257-M261 WeakPolarHBondContact O-CB 3.37Å; N257-M261 PolarHBondContact O-N 3.22Å | ||
| 258 | Y | 97.7 | Very high | 95.5 | Very high | 54 Ų | 54 | 75.4 Ų | 75.4 | 21% | 0.212 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -29.5 | -175.8 | 173.5 | -100 | 0 | 0 | 0 | 113.2 | S244 M261 G262 L265 L282 Y284 | S244-Y258 WeakPolarHBondContact OG-CA 3.32Å; S244-Y258 WeakPolarHBondContact OG-CB 3.36Å; S244-Y258 PolarHBondContact OG-N 2.67Å; S244-Y258 VanDerWaalsContact OG-N 3.1Å; Y258-M261 HydrophobicContact CD2-CE 4.01Å; Y258-G262 VanDerWaalsContact O-CA 3.31Å; Y258-G262 WeakPolarHBondContact O-CA 3.45Å; Y258-G262 PolarHBondContact O-N 3.32Å; Y258-L265 HydrophobicContact CE2-CD1 4.38Å; Y258-L282 HydrophobicContact CD2-CD2 4.5Å; Y258-L282 HydrophobicContact CE1-CD2 4.13Å; Y258-L282 HydrophobicContact CE2-CD2 3.71Å; Y258-L282 WeakPolarHBondContact OH-CD2 2.79Å; Y258-Y284 PolarHBondContact OH-OH 3.31Å |
| 259 | E | 96.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 78.7 Ų | 78.7 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 177.3 | -82.7 | -55.2 | 119.9 | 0 | 0 | 112.5 | N257 R263 R266 | N257-E259 VanDerWaalsContact C-N 3.31Å; N257-E259 PolarHBondContact O-N 3.11Å; N257-E259 WeakPolarHBondContact OD1-CA 3.47Å; N257-E259 WeakPolarHBondContact OD1-CB 3.44Å; N257-E259 PolarHBondContact OD1-N 3.22Å; E259-R263 WeakPolarHBondContact O-CG 3.35Å; E259-R263 PolarHBondContact O-NE 3.01Å; E259-R263 IonicContact OE2-CZ 3.81Å; E259-R263 IonicContact OE2-NE 3.93Å; E259-R263 IonicContact OE2-NH2 3.97Å; E259-R263 PolarHBondContact OE2-NH2 3.38Å; E259-R266 IonicContact OE1-NH2 2.86Å; E259-R266 IonicContact OE2-NH2 2.79Å |
| 260 | T | 96.3 | Very high | 95.6 | Very high | 78 Ų | 78 | 78.6 Ų | 78.6 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.6 | -49.8 | 172.5 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | M256 N257 G262 R263 | M256-T260 HydrophobicContact SD-CG2 4.2Å; N257-T260 PolarHBondContact ND2-OG1 3.48Å; N257-T260 PolarHBondContact O-N 3.45Å; N257-T260 PolarHBondContact OD1-N 3.29Å; N257-T260 PolarHBondContact OD1-OG1 3.35Å; T260-G262 VanDerWaalsContact C-N 3.29Å; T260-G262 PolarHBondContact O-N 2.98Å; T260-R263 WeakPolarHBondContact O-CB 3.45Å; T260-R263 PolarHBondContact O-N 2.91Å |
| 261 | M | 96.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 178.5 | -173.4 | -178.7 | 74.4 | 0 | 0 | 111.8 | L207 L237 V243 S244 W247 M256 N257 Y258 R263 A264 L265 | L207-M261 HydrophobicContact CD1-CG 3.79Å; L207-M261 HydrophobicContact CD1-SD 3.72Å; L207-M261 HydrophobicContact CD2-CG 3.48Å; L207-M261 VanDerWaalsContact CD2-CG 3.48Å; L207-M261 HydrophobicContact CD2-SD 4.38Å; L207-M261 HydrophobicContact CG-CG 4.3Å; L237-M261 HydrophobicContact CD2-CE 3.86Å; V243-M261 HydrophobicContact CG1-CE 3.98Å; V243-M261 HydrophobicContact CG1-SD 4.24Å; S244-M261 WeakPolarHBondContact OG-CE 3.45Å; W247-M261 HydrophobicContact CB-SD 4.1Å; W247-M261 HydrophobicContact CG-SD 4.21Å; M256-M261 HydrophobicContact SD-CB 4.18Å; N257-M261 WeakPolarHBondContact O-CB 3.37Å; N257-M261 PolarHBondContact O-N 3.22Å; Y258-M261 HydrophobicContact CD2-CE 4.01Å; M261-R263 PolarHBondContact O-N 3.46Å; M261-A264 WeakPolarHBondContact O-CB 3.48Å; M261-A264 PolarHBondContact O-N 3.28Å; M261-L265 PolarHBondContact O-N 3.34Å |
| 262 | G | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -19.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y258 T260 L265 R266 | Y258-G262 VanDerWaalsContact O-CA 3.31Å; Y258-G262 WeakPolarHBondContact O-CA 3.45Å; Y258-G262 PolarHBondContact O-N 3.32Å; T260-G262 VanDerWaalsContact C-N 3.29Å; T260-G262 PolarHBondContact O-N 2.98Å; G262-L265 PolarHBondContact O-N 2.74Å; G262-R266 VanDerWaalsContact O-CG 3.28Å; G262-R266 WeakPolarHBondContact O-CG 3.29Å; G262-R266 PolarHBondContact O-N 3.29Å |
| 263 | R | 97.1 | Very high | 95.9 | Very high | 124 Ų | 124 | 75 Ų | 75 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 170.4 | -49.3 | -55.2 | 156.9 | 116 | -10.9 | 110.8 | E259 T260 M261 L265 R266 Y267 | E259-R263 WeakPolarHBondContact O-CG 3.35Å; E259-R263 PolarHBondContact O-NE 3.01Å; E259-R263 IonicContact OE2-CZ 3.81Å; E259-R263 IonicContact OE2-NE 3.93Å; E259-R263 IonicContact OE2-NH2 3.97Å; E259-R263 PolarHBondContact OE2-NH2 3.38Å; T260-R263 WeakPolarHBondContact O-CB 3.45Å; T260-R263 PolarHBondContact O-N 2.91Å; M261-R263 PolarHBondContact O-N 3.46Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.47Å; R263-R266 PolarHBondContact O-N 3.18Å; R263-Y267 HydrophobicContact CB-CE2 4.28Å; R263-Y267 WeakPolarHBondContact O-CD2 3.3Å; R263-Y267 PolarHBondContact O-N 2.97Å |
| 264 | A | 96.1 | Very high | 96 | Very high | 28 Ų | 28 | 69.3 Ų | 69.3 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L207 M261 Y267 Y268 | L207-A264 HydrophobicContact CD2-CB 3.73Å; M261-A264 WeakPolarHBondContact O-CB 3.48Å; M261-A264 PolarHBondContact O-N 3.28Å; A264-Y267 PolarHBondContact O-N 3.46Å; A264-Y268 HydrophobicContact CB-CE2 4.47Å; A264-Y268 VanDerWaalsContact O-CD2 3.28Å; A264-Y268 WeakPolarHBondContact O-CD2 3.46Å; A264-Y268 VanDerWaalsContact O-CG 3.3Å; A264-Y268 PolarHBondContact O-N 3.48Å |
| 265 | L | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.3 | -61.3 | 177.2 | 0 | 0 | 0 | 112.1 | L207 L211 Y258 M261 G262 R263 Y267 Y268 Y269 L274 Y284 | L207-L265 HydrophobicContact CD2-CD2 3.71Å; L207-L265 HydrophobicContact CD2-CG 3.9Å; L207-L265 HydrophobicContact CG-CD2 4.41Å; L211-L265 HydrophobicContact CD1-CD2 3.73Å; Y258-L265 HydrophobicContact CE2-CD1 4.38Å; M261-L265 PolarHBondContact O-N 3.34Å; G262-L265 PolarHBondContact O-N 2.74Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.47Å; L265-Y267 PolarHBondContact O-N 3.31Å; L265-Y268 HydrophobicContact CD2-CD2 4.29Å; L265-Y268 WeakPolarHBondContact O-CB 3.14Å; L265-Y268 PolarHBondContact O-N 3.04Å; L265-Y268 VanDerWaalsContact O-N 3.11Å; L265-Y269 WeakPolarHBondContact O-CD1 3.21Å; L265-Y269 PolarHBondContact O-N 3.21Å; L265-L274 HydrophobicContact CD2-CD1 3.69Å; L265-Y284 HydrophobicContact CB-CE1 4.09Å; L265-Y284 HydrophobicContact CD1-CE1 3.84Å; L265-Y284 HydrophobicContact CD1-CE2 4.31Å; L265-Y284 HydrophobicContact CG-CE1 4.42Å |
| 266 | R | 96.5 | Very high | 96.2 | Very high | 114 Ų | 114 | 64.4 Ų | 64.4 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 175.7 | -68 | 170.5 | -158.2 | 175.6 | 11.1 | 112.4 | E259 G262 R263 Y268 Y269 | E259-R266 IonicContact OE1-NH2 2.86Å; E259-R266 IonicContact OE2-NH2 2.79Å; G262-R266 VanDerWaalsContact O-CG 3.28Å; G262-R266 WeakPolarHBondContact O-CG 3.29Å; G262-R266 PolarHBondContact O-N 3.29Å; R263-R266 PolarHBondContact O-N 3.18Å; R266-Y268 VanDerWaalsContact C-N 3.31Å; R266-Y268 PolarHBondContact O-N 3.46Å; R266-Y269 HydrophobicContact CB-CD2 4.45Å; R266-Y269 HydrophobicContact CB-CE2 4.41Å; R266-Y269 HydrophobicContact CG-CE2 4.09Å; R266-Y269 WeakPolarHBondContact O-CB 3.33Å; R266-Y269 PolarHBondContact O-N 3.27Å |
| 267 | Y | 96.9 | Very high | 96.1 | Very high | 154 Ų | 154 | 64.2 Ų | 64.2 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.8 | -29.1 | 172.8 | -67.3 | -54.4 | 0 | 0 | 0 | 113 | R263 A264 L265 Y269 Q270 R271 | R263-Y267 HydrophobicContact CB-CE2 4.28Å; R263-Y267 WeakPolarHBondContact O-CD2 3.3Å; R263-Y267 PolarHBondContact O-N 2.97Å; A264-Y267 PolarHBondContact O-N 3.46Å; L265-Y267 PolarHBondContact O-N 3.31Å; Y267-Y269 VanDerWaalsContact C-N 3.27Å; Y267-Y269 PolarHBondContact O-N 3.45Å; Y267-Q270 PolarHBondContact O-N 3.24Å; Y267-R271 WeakPolarHBondContact O-CG 3.27Å; Y267-R271 PolarHBondContact O-N 3.11Å; Y267-R271 VanDerWaalsContact O-N 3.15Å |
| 268 | Y | 96.4 | Very high | 96 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70 | -20.9 | 175.7 | -63.9 | -35.8 | 0 | 0 | 0 | 113.8 | L207 W208 A264 L265 R266 G272 I273 L274 | L207-Y268 HydrophobicContact CB-CE2 3.91Å; L207-Y268 HydrophobicContact CD2-CE2 4.27Å; L207-Y268 HydrophobicContact CG-CE2 4.29Å; L207-Y268 PolarHBondContact N-OH 3.17Å; L207-Y268 VanDerWaalsContact N-OH 3.13Å; W208-Y268 HydrophobicContact CB-CD2 4.25Å; W208-Y268 HydrophobicContact CB-CE2 3.87Å; W208-Y268 AromaticContact CD1-CE1 3.89Å; W208-Y268 AromaticContact CD1-CZ 3.73Å; A264-Y268 HydrophobicContact CB-CE2 4.47Å; A264-Y268 VanDerWaalsContact O-CD2 3.28Å; A264-Y268 WeakPolarHBondContact O-CD2 3.46Å; A264-Y268 VanDerWaalsContact O-CG 3.3Å; A264-Y268 PolarHBondContact O-N 3.48Å; L265-Y268 HydrophobicContact CD2-CD2 4.29Å; L265-Y268 WeakPolarHBondContact O-CB 3.14Å; L265-Y268 PolarHBondContact O-N 3.04Å; L265-Y268 VanDerWaalsContact O-N 3.11Å; R266-Y268 VanDerWaalsContact C-N 3.31Å; R266-Y268 PolarHBondContact O-N 3.46Å; Y268-G272 PolarHBondContact O-N 3.42Å; Y268-I273 HydrophobicContact CD1-CB 4.41Å; Y268-I273 HydrophobicContact CD1-CD1 3.99Å; Y268-I273 HydrophobicContact CE1-CD1 4.39Å; Y268-I273 HydrophobicContact CG-CB 4.49Å; Y268-I273 PolarHBondContact O-N 3.35Å; Y268-L274 HydrophobicContact CD2-CD1 3.89Å; Y268-L274 HydrophobicContact CD2-CG 4.37Å; Y268-L274 HydrophobicContact CG-CD1 4.44Å; Y268-L274 PolarHBondContact O-N 2.94Å |
| 269 | Y | 95.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 68.4 Ų | 68.4 | 28% | 0.275 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -55.5 | 170.1 | -53 | -24.3 | 0 | 0 | 0 | 111.6 | L265 R266 Y267 R271 G272 L274 K276 Y284 | L265-Y269 WeakPolarHBondContact O-CD1 3.21Å; L265-Y269 PolarHBondContact O-N 3.21Å; R266-Y269 HydrophobicContact CB-CD2 4.45Å; R266-Y269 HydrophobicContact CB-CE2 4.41Å; R266-Y269 HydrophobicContact CG-CE2 4.09Å; R266-Y269 WeakPolarHBondContact O-CB 3.33Å; R266-Y269 PolarHBondContact O-N 3.27Å; Y267-Y269 VanDerWaalsContact C-N 3.27Å; Y267-Y269 PolarHBondContact O-N 3.45Å; Y269-R271 PolarHBondContact O-N 3.03Å; Y269-G272 PolarHBondContact O-N 2.81Å; Y269-L274 VanDerWaalsContact CA-O 3.3Å; Y269-L274 WeakPolarHBondContact CA-O 3.46Å; Y269-L274 HydrophobicContact CD1-CB 4.31Å; Y269-K276 HydrophobicContact CD1-CB 4.46Å; Y269-K276 HydrophobicContact CE1-CB 3.89Å; Y269-K276 HydrophobicContact CE2-CB 3.99Å; Y269-K276 HydrophobicContact CE2-CD 4.3Å; Y269-Y284 HydrophobicContact CE1-CD1 4.1Å; Y269-Y284 HydrophobicContact CE1-CE1 4.33Å; Y269-Y284 VanDerWaalsContact OH-CE1 3.27Å; Y269-Y284 WeakPolarHBondContact OH-CE1 3.47Å |
| 270 | Q | 94.6 | Very high | 95.8 | Very high | 170 Ų | 170 | 69.4 Ų | 69.4 | 79% | 0.794 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.2 | -29.3 | -179.6 | -68.2 | 176.8 | -28 | 0 | 0 | 112.4 | Y267 G272 | Y267-Q270 PolarHBondContact O-N 3.24Å; Q270-G272 VanDerWaalsContact C-N 3.29Å |
| 271 | R | 94.2 | Very high | 95.8 | Very high | 154 Ų | 154 | 76.6 Ų | 76.6 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -4.7 | 173.4 | -69.5 | -175 | 63.8 | -166.7 | -4.1 | 114.2 | Y267 Y269 I273 | Y267-R271 WeakPolarHBondContact O-CG 3.27Å; Y267-R271 PolarHBondContact O-N 3.11Å; Y267-R271 VanDerWaalsContact O-N 3.15Å; Y269-R271 PolarHBondContact O-N 3.03Å; R271-I273 HydrophobicContact CB-CD1 4.12Å; R271-I273 HydrophobicContact CB-CG1 4.25Å; R271-I273 PolarHBondContact O-N 3.32Å |
| 272 | G | 94.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 78.6 Ų | 78.6 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 25.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y268 Y269 Q270 K287 | Y268-G272 PolarHBondContact O-N 3.42Å; Y269-G272 PolarHBondContact O-N 2.81Å; Q270-G272 VanDerWaalsContact C-N 3.29Å; G272-K287 VanDerWaalsContact O-CB 3.23Å; G272-K287 WeakPolarHBondContact O-CB 3.07Å; G272-K287 WeakPolarHBondContact O-CD 3.41Å |
| 273 | I | 94.4 | Very high | 95.7 | Very high | 38 Ų | 38 | 78.7 Ų | 78.7 | 20% | 0.195 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -90.4 | -42.4 | 175.9 | -65.3 | 169.4 | 0 | 0 | 0 | 109.7 | W208 Y268 R271 K287 | W208-I273 HydrophobicContact CB-CG2 4.12Å; W208-I273 HydrophobicContact CD2-CG2 4.27Å; W208-I273 HydrophobicContact CG-CG2 3.95Å; Y268-I273 HydrophobicContact CD1-CB 4.41Å; Y268-I273 HydrophobicContact CD1-CD1 3.99Å; Y268-I273 HydrophobicContact CE1-CD1 4.39Å; Y268-I273 HydrophobicContact CG-CB 4.49Å; Y268-I273 PolarHBondContact O-N 3.35Å; R271-I273 HydrophobicContact CB-CD1 4.12Å; R271-I273 HydrophobicContact CB-CG1 4.25Å; R271-I273 PolarHBondContact O-N 3.32Å; I273-K287 PolarHBondContact O-N 3.34Å |
| 274 | L | 96.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 153.8 | 171.2 | -63.6 | -179.6 | 0 | 0 | 0 | 109.8 | F235 L265 Y268 Y269 Q285 F286 | F235-L274 HydrophobicContact CE1-CD2 3.87Å; F235-L274 HydrophobicContact CZ-CD1 4.39Å; F235-L274 HydrophobicContact CZ-CD2 4.04Å; L265-L274 HydrophobicContact CD2-CD1 3.69Å; Y268-L274 HydrophobicContact CD2-CD1 3.89Å; Y268-L274 HydrophobicContact CD2-CG 4.37Å; Y268-L274 HydrophobicContact CG-CD1 4.44Å; Y268-L274 PolarHBondContact O-N 2.94Å; Y269-L274 VanDerWaalsContact CA-O 3.3Å; Y269-L274 WeakPolarHBondContact CA-O 3.46Å; Y269-L274 HydrophobicContact CD1-CB 4.31Å; L274-Q285 CarbonylContact C-O 3.53Å; L274-Q285 WeakPolarHBondContact CA-O 3.28Å; L274-F286 HydrophobicContact CD2-CD1 3.54Å; L274-F286 HydrophobicContact CD2-CD2 4.47Å; L274-F286 HydrophobicContact CD2-CE1 3.77Å; L274-F286 HydrophobicContact CD2-CG 3.93Å; L274-F286 HydrophobicContact CD2-CZ 4.33Å |
| 275 | A | 96.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 74.9 Ų | 74.9 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 153.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q285 | A275-Q285 HydrophobicContact CB-CB 4.37Å; A275-Q285 PolarHBondContact N-O 3.36Å; A275-Q285 PolarHBondContact O-N 3.39Å |
| 276 | K | 95.4 | Very high | 95.7 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131 | 167.6 | -179.1 | 174.2 | 160.5 | -129.2 | 0 | 108.1 | Y269 E278 | Y269-K276 HydrophobicContact CD1-CB 4.46Å; Y269-K276 HydrophobicContact CE1-CB 3.89Å; Y269-K276 HydrophobicContact CE2-CB 3.99Å; Y269-K276 HydrophobicContact CE2-CD 4.3Å; K276-E278 VanDerWaalsContact CD-OE1 3.3Å; K276-E278 WeakPolarHBondContact CD-OE1 3.45Å; K276-E278 VanDerWaalsContact CE-OE1 3.29Å; K276-E278 WeakPolarHBondContact CE-OE1 3.45Å; K276-E278 WeakPolarHBondContact CE-OE2 3.23Å; K276-E278 IonicContact NZ-OE1 2.77Å; K276-E278 PolarHBondContact NZ-OE1 3.25Å; K276-E278 IonicContact NZ-OE2 3.66Å; K276-E278 PolarHBondContact NZ-OE2 3.13Å; K276-E278 PolarHBondContact O-N 3.07Å |
| 277 | V | 96.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 77.1 Ų | 77.1 | 16% | 0.158 | 37% | 0.371 | C | S | . | . | trans | -81.3 | 114.3 | 166.5 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | I234 Q280 V283 Q285 | I234-V277 HydrophobicContact CG2-CG2 3.82Å; V277-Q280 HydrophobicContact CG1-CB 4.11Å; V277-Q280 HydrophobicContact CG1-CG 4.21Å; V277-V283 HydrophobicContact CB-CB 4.14Å; V277-V283 HydrophobicContact CB-CG1 3.84Å; V277-V283 HydrophobicContact CG1-CG1 4.21Å; V277-V283 HydrophobicContact CG2-CG1 3.79Å; V277-V283 PolarHBondContact N-O 3.17Å; V277-Q285 HydrophobicContact CG2-CB 4.27Å | ||
| 278 | E | 94.4 | Very high | 94.9 | Very high | 131 Ų | 131 | 76.7 Ų | 76.7 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 155.5 | 177.7 | -69.7 | -56.1 | 150.2 | 0 | 0 | 112 | K276 Q280 | K276-E278 VanDerWaalsContact CD-OE1 3.3Å; K276-E278 WeakPolarHBondContact CD-OE1 3.45Å; K276-E278 VanDerWaalsContact CE-OE1 3.29Å; K276-E278 WeakPolarHBondContact CE-OE1 3.45Å; K276-E278 WeakPolarHBondContact CE-OE2 3.23Å; K276-E278 IonicContact NZ-OE1 2.77Å; K276-E278 PolarHBondContact NZ-OE1 3.25Å; K276-E278 IonicContact NZ-OE2 3.66Å; K276-E278 PolarHBondContact NZ-OE2 3.13Å; K276-E278 PolarHBondContact O-N 3.07Å; E278-Q280 PolarHBondContact O-N 3.15Å |
| 279 | G | 94.4 | Very high | 94.2 | Very high | 82 Ų | 82 | 78.5 Ų | 78.5 | 85% | 0.845 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -28.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 280 | Q | 95.1 | Very high | 93.2 | Very high | 103 Ų | 103 | 76.3 Ų | 76.3 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | trans | -104.6 | 115.5 | -173.1 | -61.3 | -161.2 | 44.1 | 0 | 0 | 113.9 | V277 E278 V283 | V277-Q280 HydrophobicContact CG1-CB 4.11Å; V277-Q280 HydrophobicContact CG1-CG 4.21Å; E278-Q280 PolarHBondContact O-N 3.15Å; Q280-V283 HydrophobicContact CB-CB 3.76Å; Q280-V283 HydrophobicContact CB-CG1 4.46Å; Q280-V283 HydrophobicContact CB-CG2 3.67Å | ||
| 281 | R | 95.9 | Very high | 91.7 | Very high | 229 Ų | 229 | 77.6 Ų | 77.6 | 86% | 0.864 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 137.2 | 174.9 | -64.6 | -173.5 | -179.4 | -162.9 | 1.3 | 111.4 | V283 | R281-V283 PolarHBondContact O-N 3.47Š|
| 282 | L | 96.6 | Very high | 90 | Very high | 45 Ų | 45 | 75.2 Ų | 75.2 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 18.6 | -179.8 | -54.7 | 178.4 | 0 | 0 | 0 | 115 | K236 L237 Y258 Y284 | K236-L282 WeakPolarHBondContact CA-O 3.37Å; L237-L282 HydrophobicContact CB-CB 4.2Å; L237-L282 PolarHBondContact N-O 2.98Å; L237-L282 WeakPolarHBondContact O-CB 3.19Å; Y258-L282 HydrophobicContact CD2-CD2 4.5Å; Y258-L282 HydrophobicContact CE1-CD2 4.13Å; Y258-L282 HydrophobicContact CE2-CD2 3.71Å; Y258-L282 WeakPolarHBondContact OH-CD2 2.79Å; L282-Y284 VanDerWaalsContact C-CE2 3.43Å; L282-Y284 WeakPolarHBondContact O-CD2 2.82Å; L282-Y284 WeakPolarHBondContact O-CE2 3.31Å |
| 283 | V | 96.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.1 | 176.8 | -174 | 0 | 0 | 0 | 0 | 110.4 | I234 F235 K236 V277 Q280 R281 | I234-V283 HydrophobicContact CG2-CG1 3.53Å; F235-V283 WeakPolarHBondContact O-CA 3.45Å; K236-V283 HydrophobicContact CB-CG2 3.98Å; K236-V283 HydrophobicContact CD-CG2 3.77Å; K236-V283 HydrophobicContact CG-CG2 3.77Å; V277-V283 HydrophobicContact CB-CB 4.14Å; V277-V283 HydrophobicContact CB-CG1 3.84Å; V277-V283 HydrophobicContact CG1-CG1 4.21Å; V277-V283 HydrophobicContact CG2-CG1 3.79Å; V277-V283 PolarHBondContact N-O 3.17Å; Q280-V283 HydrophobicContact CB-CB 3.76Å; Q280-V283 HydrophobicContact CB-CG1 4.46Å; Q280-V283 HydrophobicContact CB-CG2 3.67Å; R281-V283 PolarHBondContact O-N 3.47Å |
| 284 | Y | 97 | Very high | 87.2 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 3% | 0.027 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.6 | -172.5 | -56.2 | -92.5 | 0 | 0 | 0 | 109.2 | I234 F235 L237 Y258 L265 Y269 L282 | I234-Y284 CarbonylContact C-O 3.47Å; I234-Y284 WeakPolarHBondContact CA-O 3.36Å; I234-Y284 WeakPolarHBondContact CG2-O 3.49Å; F235-Y284 WeakPolarHBondContact CD1-O 3.33Å; F235-Y284 HydrophobicContact CD2-CD2 4.5Å; F235-Y284 AromaticContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CD2 3.98Å; F235-Y284 HydrophobicContact CE2-CG 4.19Å; F235-Y284 VanDerWaalsContact CZ-CB 3.49Å; F235-Y284 HydrophobicContact CZ-CD2 4.4Å; F235-Y284 HydrophobicContact CZ-CG 4.15Å; F235-Y284 PolarHBondContact N-O 3.34Å; F235-Y284 PolarHBondContact O-N 3.11Å; L237-Y284 HydrophobicContact CD1-CD2 3.94Å; L237-Y284 HydrophobicContact CD1-CE2 3.9Å; Y258-Y284 PolarHBondContact OH-OH 3.31Å; L265-Y284 HydrophobicContact CB-CE1 4.09Å; L265-Y284 HydrophobicContact CD1-CE1 3.84Å; L265-Y284 HydrophobicContact CD1-CE2 4.31Å; L265-Y284 HydrophobicContact CG-CE1 4.42Å; Y269-Y284 HydrophobicContact CE1-CD1 4.1Å; Y269-Y284 HydrophobicContact CE1-CE1 4.33Å; Y269-Y284 VanDerWaalsContact OH-CE1 3.27Å; Y269-Y284 WeakPolarHBondContact OH-CE1 3.47Å; L282-Y284 VanDerWaalsContact C-CE2 3.43Å; L282-Y284 WeakPolarHBondContact O-CD2 2.82Å; L282-Y284 WeakPolarHBondContact O-CE2 3.31Å |
| 285 | Q | 96.2 | Very high | 85.3 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.6 | 175.9 | -178.5 | 173.2 | 22.5 | 0 | 0 | 109.7 | K232 G233 I234 L274 A275 V277 | K232-Q285 WeakPolarHBondContact O-CG 3.29Å; K232-Q285 PolarHBondContact O-NE2 2.82Å; G233-Q285 WeakPolarHBondContact O-CA 3.38Å; I234-Q285 HydrophobicContact CG1-CB 4.1Å; I234-Q285 HydrophobicContact CG1-CG 3.85Å; L274-Q285 CarbonylContact C-O 3.53Å; L274-Q285 WeakPolarHBondContact CA-O 3.28Å; A275-Q285 HydrophobicContact CB-CB 4.37Å; A275-Q285 PolarHBondContact N-O 3.36Å; A275-Q285 PolarHBondContact O-N 3.39Å; V277-Q285 HydrophobicContact CG2-CB 4.27Å |
| 286 | F | 95.3 | Very high | 83.6 | Confident | 7 Ų | 7 | 81 Ų | 81 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.5 | 165 | -74.1 | -82.1 | 0 | 0 | 0 | 109.3 | W208 L212 L215 W227 G233 F235 L274 M289 | W208-F286 HydrophobicContact CB-CE1 4.41Å; W208-F286 HydrophobicContact CE3-CE1 4.36Å; L212-F286 HydrophobicContact CB-CZ 4.21Å; L212-F286 HydrophobicContact CD1-CE2 4.2Å; L212-F286 HydrophobicContact CD1-CZ 4.13Å; L215-F286 HydrophobicContact CD1-CE2 4.12Å; W227-F286 AromaticContact CH2-CD2 3.97Å; W227-F286 HydrophobicContact CH2-CD2 3.97Å; W227-F286 AromaticContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CH2-CE2 3.85Å; W227-F286 HydrophobicContact CZ3-CD2 4.05Å; W227-F286 HydrophobicContact CZ3-CE2 4.2Å; G233-F286 PolarHBondContact O-N 2.93Å; F235-F286 AromaticContact CD1-CD2 3.63Å; F235-F286 HydrophobicContact CD1-CD2 3.63Å; F235-F286 AromaticContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CE2 3.5Å; F235-F286 VanDerWaalsContact CD1-CE2 3.5Å; F235-F286 HydrophobicContact CD1-CZ 4.49Å; F235-F286 AromaticContact CE1-CD2 3.45Å; F235-F286 HydrophobicContact CE1-CD2 3.45Å; F235-F286 VanDerWaalsContact CE1-CD2 3.45Å; F235-F286 AromaticContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CE2 3.23Å; F235-F286 HydrophobicContact CE1-CG 4.23Å; F235-F286 AromaticContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CE1-CZ 3.85Å; F235-F286 HydrophobicContact CG-CE2 4.47Å; F235-F286 HydrophobicContact CZ-CE2 4.02Å; F235-F286 HydrophobicContact CZ-CZ 4.27Å; L274-F286 HydrophobicContact CD2-CD1 3.54Å; L274-F286 HydrophobicContact CD2-CD2 4.47Å; L274-F286 HydrophobicContact CD2-CE1 3.77Å; L274-F286 HydrophobicContact CD2-CG 3.93Å; L274-F286 HydrophobicContact CD2-CZ 4.33Å; F286-M289 HydrophobicContact CB-CE 3.79Å; F286-M289 HydrophobicContact CD2-CE 3.72Å; F286-M289 HydrophobicContact CG-CE 3.99Å |
| 287 | K | 90.3 | Very high | 81.7 | Confident | 156 Ų | 156 | 80.9 Ų | 80.9 | 68% | 0.678 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -71.1 | -35.4 | -177.8 | -166.7 | -169.1 | 176.7 | -171.4 | 0 | 112.1 | G272 I273 | G272-K287 VanDerWaalsContact O-CB 3.23Å; G272-K287 WeakPolarHBondContact O-CB 3.07Å; G272-K287 WeakPolarHBondContact O-CD 3.41Å; I273-K287 PolarHBondContact O-N 3.34Å |
| 288 | E | 87.1 | Confident | 80 | Confident | 144 Ų | 144 | 87.9 Ų | 87.9 | 67% | 0.673 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -117.5 | 127 | 167.4 | -178.9 | 177.9 | -176.1 | 0 | 0 | 107 | P290 | E288-P290 WeakPolarHBondContact O-CD 3.49Š|
| 289 | M | 81.9 | Confident | 78 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 26% | 0.261 | 44% | 0.437 | S | S | . | . | trans | -79.1 | 120.8 | 178 | -173.3 | 92 | -70.5 | 0 | 0 | 109.8 | W227 G233 F286 K291 I293 | W227-M289 HydrophobicContact CH2-CE 3.63Å; W227-M289 HydrophobicContact CH2-SD 4.49Å; W227-M289 HydrophobicContact CZ3-CE 3.81Å; W227-M289 HydrophobicContact CZ3-SD 4.49Å; G233-M289 WeakPolarHBondContact CA-SD 3.4Å; F286-M289 HydrophobicContact CB-CE 3.79Å; F286-M289 HydrophobicContact CD2-CE 3.72Å; F286-M289 HydrophobicContact CG-CE 3.99Å; M289-K291 PolarHBondContact O-N 3.43Å; M289-I293 HydrophobicContact CE-CD1 3.71Å; M289-I293 HydrophobicContact CG-CD1 3.65Å; M289-I293 HydrophobicContact SD-CD1 3.52Å; M289-I293 VanDerWaalsContact SD-CD1 3.52Å | ||
| 290 | P | 73.3 | Confident | 75.6 | Confident | 24 Ų | 24 | 91.3 Ų | 91.3 | 16% | 0.156 | 43% | 0.43 | C | S | . | . | trans | -61.8 | 123.5 | 177.4 | -25.9 | 38.4 | 0 | 0 | 0 | 111.1 | L212 E288 N292 I293 | L212-P290 HydrophobicContact CD1-CB 4.42Å; L212-P290 HydrophobicContact CD1-CG 3.99Å; L212-P290 HydrophobicContact CD2-CB 3.73Å; L212-P290 HydrophobicContact CD2-CG 3.73Å; E288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-N292 PolarHBondContact O-N 3.36Å; P290-I293 WeakPolarHBondContact O-CD1 3.3Å; P290-I293 WeakPolarHBondContact O-CG1 3.28Å | ||
| 291 | K | 63.2 | Low | 73.1 | Confident | 198 Ų | 198 | 91.3 Ų | 91.3 | 86% | 0.861 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -6 | -169.4 | -58.2 | 179.1 | -175.7 | 178.3 | 0 | 114.4 | M289 | M289-K291 PolarHBondContact O-N 3.43Š|
| 292 | N | 60.3 | Low | 71 | Confident | 104 Ų | 104 | 86.5 Ų | 86.5 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 14.6 | -174.4 | 66.6 | -87 | 0 | 0 | 0 | 114.2 | P290 V294 | P290-N292 PolarHBondContact O-N 3.36Å; N292-V294 PolarHBondContact O-N 3.23Å; N292-V294 VanDerWaalsContact O-N 3.17Å |
| 293 | I | 66.7 | Low | 68.3 | Low | 28 Ų | 28 | 92.7 Ų | 92.7 | 14% | 0.144 | 47% | 0.465 | C | S | . | . | trans | -62.7 | 117.5 | 175.8 | -66.9 | 159.3 | 0 | 0 | 0 | 108.5 | L212 W227 M289 P290 I295 | L212-I293 HydrophobicContact CD1-CD1 4.33Å; L212-I293 HydrophobicContact CD1-CG1 4.09Å; W227-I293 HydrophobicContact CH2-CD1 4.35Å; W227-I293 HydrophobicContact CZ2-CD1 4.33Å; M289-I293 HydrophobicContact CE-CD1 3.71Å; M289-I293 HydrophobicContact CG-CD1 3.65Å; M289-I293 HydrophobicContact SD-CD1 3.52Å; M289-I293 VanDerWaalsContact SD-CD1 3.52Å; P290-I293 WeakPolarHBondContact O-CD1 3.3Å; P290-I293 WeakPolarHBondContact O-CG1 3.28Å; I293-I295 PolarHBondContact O-N 2.95Å | ||
| 294 | V | 63.2 | Low | 65.8 | Low | 56 Ų | 56 | 97.7 Ų | 97.7 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | trans | -62.1 | 114.5 | 168.9 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | N292 I296 | N292-V294 PolarHBondContact O-N 3.23Å; N292-V294 VanDerWaalsContact O-N 3.17Å; V294-I296 HydrophobicContact CG1-CG1 4.22Å; V294-I296 PolarHBondContact O-N 3.19Å | ||
| 295 | I | 56.6 | Low | 63.2 | Low | 118 Ų | 118 | 102 Ų | 102 | 61% | 0.605 | 53% | 0.531 | S | S | * | . | trans | -62.4 | 110.4 | 172.6 | -55.6 | -180 | 0 | 0 | 0 | 106.8 | I293 D297 | I293-I295 PolarHBondContact O-N 2.95Å; I295-D297 VanDerWaalsContact CG2-CG 3.46Å; I295-D297 WeakPolarHBondContact CG2-OD1 3.44Å; I295-D297 WeakPolarHBondContact CG2-OD2 3.45Å | ||
| 296 | I | 60.6 | Low | 61.4 | Low | 24 Ų | 24 | 103.4 Ų | 103.4 | 12% | 0.123 | 55% | 0.546 | C | S | . | . | trans | -105.2 | 89.6 | 170.1 | -69.7 | 167.8 | 0 | 0 | 0 | 103.8 | Q216 K218 R230 V294 | Q216-I296 WeakPolarHBondContact O-CD1 3.44Å; K218-I296 HydrophobicContact CD-CG2 3.97Å; K218-I296 HydrophobicContact CG-CD1 3.82Å; K218-I296 HydrophobicContact CG-CG1 4.44Å; K218-I296 HydrophobicContact CG-CG2 3.99Å; R230-I296 VanDerWaalsContact CZ-O 3.27Å; R230-I296 PolarHBondContact NH1-O 2.86Å; R230-I296 PolarHBondContact NH2-O 3.36Å; V294-I296 HydrophobicContact CG1-CG1 4.22Å; V294-I296 PolarHBondContact O-N 3.19Å | ||
| 297 | D | 55.3 | Low | 58.7 | Low | 96 Ų | 96 | 109.6 Ų | 109.6 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | trans | -66 | 141.4 | 167.8 | -60.2 | -50.7 | 0 | 0 | 0 | 108.7 | R230 I295 D299 | R230-D297 IonicContact NH1-OD1 2.67Å; I295-D297 VanDerWaalsContact CG2-CG 3.46Å; I295-D297 WeakPolarHBondContact CG2-OD1 3.44Å; I295-D297 WeakPolarHBondContact CG2-OD2 3.45Å; D297-D299 VanDerWaalsContact CB-OD1 3.24Å; D297-D299 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 298 | E | 59.1 | Low | 56.3 | Low | 174 Ų | 174 | 110 Ų | 110 | 81% | 0.813 | 59% | 0.589 | S | S | * | * | trans | -118.6 | 40.3 | -179.1 | -163.3 | 161.5 | 103.7 | 0 | 0 | 107.7 | ||||
| 299 | D | 52.5 | Low | 54.3 | Low | 124 Ų | 124 | 110.2 Ų | 110.2 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | trans | -82.8 | 163 | 174.2 | 59 | -114.4 | 0 | 0 | 0 | 112.5 | D297 A301 | D297-D299 VanDerWaalsContact CB-OD1 3.24Å; D297-D299 WeakPolarHBondContact CB-OD1 3.38Å; D299-A301 PolarHBondContact O-N 3.02Å | ||
| 300 | K | 45.6 | Very low | 52.6 | Low | 160 Ų | 160 | 115.6 Ų | 115.6 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | trans | 58 | 46.3 | 166.8 | -112.2 | -162.7 | -174.3 | -156 | 0 | 118.2 | E302 | K300-E302 HydrophobicContact CD-CG 4.13Å; K300-E302 WeakPolarHBondContact CD-OE1 3.5Å; K300-E302 WeakPolarHBondContact CE-OE1 3.36Å; K300-E302 HydrophobicContact CG-CG 3.95Å; K300-E302 IonicContact NZ-OE1 2.6Å; K300-E302 PolarHBondContact NZ-OE1 3.35Å; K300-E302 PolarHBondContact O-N 3.05Å | ||
| 301 | A | 42.8 | Very low | 50.7 | Low | 104 Ų | 104 | 120.5 Ų | 120.5 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | trans | -69.1 | 87.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | D299 M303 | D299-A301 PolarHBondContact O-N 3.02Å; A301-M303 PolarHBondContact O-N 3Å | ||
| 302 | E | 50.1 | Low | 49.4 | Very low | 127 Ų | 127 | 115.5 Ų | 115.5 | 59% | 0.593 | 65% | 0.646 | S | S | * | * | trans | -64.4 | 127.8 | 174 | -67.3 | -174.1 | -177.1 | 0 | 0 | 110.5 | K300 | K300-E302 HydrophobicContact CD-CG 4.13Å; K300-E302 WeakPolarHBondContact CD-OE1 3.5Å; K300-E302 WeakPolarHBondContact CE-OE1 3.36Å; K300-E302 HydrophobicContact CG-CG 3.95Å; K300-E302 IonicContact NZ-OE1 2.6Å; K300-E302 PolarHBondContact NZ-OE1 3.35Å; K300-E302 PolarHBondContact O-N 3.05Å | ||
| 303 | M | 40.9 | Very low | 48.3 | Very low | 176 Ų | 176 | 118.9 Ų | 118.9 | 87% | 0.867 | 66% | 0.658 | S | S | * | * | trans | -135.8 | 68.4 | 154 | -165.9 | 163.6 | -172.9 | 0 | 0 | 109.9 | A301 S305 | A301-M303 PolarHBondContact O-N 3Å; M303-S305 VanDerWaalsContact C-N 3.31Å; M303-S305 PolarHBondContact O-N 2.85Å | ||
| 304 | S | 43.6 | Very low | 46.9 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | trans | -63.9 | 93.8 | 158.9 | -52.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 305 | S | 43.6 | Very low | 45.4 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | trans | -71.7 | 136 | 169.7 | -164.9 | 0 | 0 | 0 | 0 | 108.8 | M303 | M303-S305 VanDerWaalsContact C-N 3.31Å; M303-S305 PolarHBondContact O-N 2.85Å | ||
| 306 | P | 57.2 | Low | 44.1 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | trans | -84.1 | 167.3 | -177 | 36.3 | -37.5 | 0 | 0 | 0 | 112.6 | ||||
| 307 | D | 38.3 | Very low | 42.7 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 66.3 | 147.2 | 169.8 | -51.5 | -55.4 | 0 | 0 | 0 | 115 | ||||
| 308 | D | 41.1 | Very low | 41.7 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | cis | -116.2 | 166.8 | 16.7 | -92.5 | -65.2 | 0 | 0 | 0 | 116 | ||||
| 309 | L | 45.6 | Very low | 40.4 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -98 | 151.4 | 176.2 | -87.8 | 157.3 | 0 | 0 | 0 | 112.8 | ||||
| 310 | M | 45.5 | Very low | 39.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 47.9 | 116.1 | 147 | -78.8 | -77.9 | 171.4 | 0 | 0 | 120 | ||||
| 311 | S | 32.3 | Very low | 39.1 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | -166.9 | 161.4 | 117.5 | -84.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 312 | S | 37.5 | Very low | 39.3 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -88.6 | 156.5 | -168.7 | -56 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 313 | E | 36.2 | Very low | 39.7 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 42 | 151.9 | 128 | -58.3 | 168.1 | 129.7 | 0 | 0 | 122.4 | |||||
| 314 | S | 36.7 | Very low | 39.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 97.7 | 105 | 159.3 | 77.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 315 | Q | 33.2 | Very low | 39.4 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 52.4 | 113.4 | 131 | -66.8 | -177.6 | -22.6 | 0 | 0 | 122.8 | ||||
| 316 | S | 29.4 | Very low | 38.7 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | 88.4 | 168.5 | 124.5 | 81 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 317 | S | 30.9 | Very low | 37.9 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | 77.8 | 107.5 | 173 | -68.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 318 | Y | 33.3 | Very low | 38.3 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 21.2 | 154.5 | 138.4 | 77.3 | -101.1 | 0 | 0 | 0 | 121.3 | ||||
| 319 | D | 31.9 | Very low | 37.9 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | cis | -146.4 | -179.3 | 4 | -160.6 | -144.8 | 0 | 0 | 0 | 113.2 | ||||
| 320 | R | 35.2 | Very low | 37.3 | Very low | 212 Ų | 212 | 141.9 Ų | 141.9 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 127.8 | -170.2 | -162.9 | 171.1 | -172.5 | 153.5 | 1.5 | 117.2 | ||||
| 321 | V | 37 | Very low | 36.6 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 78.8 | 151.6 | 138.3 | 166.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 322 | P | 45.1 | Very low | 36.7 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -122.2 | -146.6 | -168.8 | 43.4 | -25.2 | 0 | 0 | 0 | 111.7 | ||||
| 323 | P | 59.3 | Low | 36.4 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -101.8 | -162.3 | -55.3 | 36.2 | -19.8 | 0 | 0 | 0 | 110.2 | |||||
| 324 | P | 43.5 | Very low | 37.4 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -151.1 | -178.9 | 87.3 | 40 | -20.5 | 0 | 0 | 0 | 115.9 | |||||
| 325 | S | 34.2 | Very low | 37 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -80.3 | 159.3 | 177 | -51.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 326 | E | 29.5 | Very low | 37 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | 169.8 | -177.4 | 118.8 | -85.1 | -91.6 | 64.7 | 0 | 0 | 111.5 | |||||
| 327 | R | 40.3 | Very low | 37.2 | Very low | 222 Ų | 222 | 139 Ų | 139 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -111.3 | -154.8 | -164.8 | -44.1 | 170.6 | -176.9 | 157.8 | 0.6 | 110.2 | ||||
| 328 | P | 46.3 | Very low | 37.4 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | -142.5 | -166.6 | -16.6 | 30.8 | -4.4 | 0 | 0 | 0 | 115.1 | ||||
| 329 | I | 33.8 | Very low | 37.4 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | 55 | 115.3 | 155.6 | -31.1 | -172.8 | 0 | 0 | 0 | 122.6 | V331 | I329-V331 HydrophobicContact CG2-CB 4.35Å; I329-V331 HydrophobicContact CG2-CG2 3.39Å | ||
| 330 | V | 33.2 | Very low | 37.3 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | -156.1 | 119.7 | 127.5 | 174.8 | 0 | 0 | 0 | 0 | 105 | |||||
| 331 | V | 30.7 | Very low | 38 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | cis | 73.3 | 90.7 | 41.5 | -177.4 | 0 | 0 | 0 | 0 | 115.1 | I329 | I329-V331 HydrophobicContact CG2-CB 4.35Å; I329-V331 HydrophobicContact CG2-CG2 3.39Å | ||
| 332 | Q | 34.1 | Very low | 37.7 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -155.5 | 161 | 140.3 | -114.7 | 172.6 | 23.9 | 0 | 0 | 111.9 | ||||
| 333 | N | 31.3 | Very low | 37 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -150.2 | -164.2 | -163.6 | -153.8 | 23.1 | 0 | 0 | 0 | 109.4 | ||||
| 334 | P | 55.8 | Low | 35.7 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | -121 | 165.2 | -101.1 | 39.1 | -24.9 | 0 | 0 | 0 | 116.8 | |||||
| 335 | A | 29.5 | Very low | 35 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -164.6 | 136.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 336 | A | 32.2 | Very low | 34.7 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | cis | 100.4 | 100 | 19.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 337 | T | 34 | Very low | 34.7 | Very low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -158.7 | 101 | 158 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 338 | V | 34.8 | Very low | 35.3 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 52.5 | 116.2 | 135.7 | 161.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 339 | S | 33 | Very low | 34.6 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 69.1 | 139.1 | 139.8 | -61.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 340 | G | 31.4 | Very low | 34.4 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -112.3 | -141.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 341 | P | 48.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -140.3 | 163.9 | 19.7 | 42.9 | -24.9 | 0 | 0 | 0 | 119.2 | ||||
| 342 | A | 31.6 | Very low | 34.2 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 78.6 | 154.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 343 | V | 31.3 | Very low | 34 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 82.8 | 78.2 | 158.8 | -153.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 344 | M | 30.9 | Very low | 33.8 | Very low | 178 Ų | 178 | 117.5 Ų | 117.5 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | 57.4 | 123.6 | 126.3 | -54.7 | -149.7 | 87.4 | 0 | 0 | 125.4 | |||||
| 345 | A | 29.8 | Very low | 32.8 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 90.4 | 108.2 | 121.5 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 346 | A | 28.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | 81.6 | 160.1 | 124.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 347 | A | 29.2 | Very low | 33.7 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -147.8 | -157 | -173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 348 | P | 51.5 | Low | 33.6 | Very low | 107 Ų | 107 | 112.2 Ų | 112.2 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | cis | -137.4 | 172.7 | -24.4 | 40.1 | -22.4 | 0 | 0 | 0 | 116.2 | ||||
| 349 | R | 32.8 | Very low | 33.7 | Very low | 224 Ų | 224 | 111.8 Ų | 111.8 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | 36.2 | 138.2 | 138.6 | -67.4 | -177.2 | 175.5 | -167.1 | -1.2 | 125.8 | ||||
| 350 | I | 29.5 | Very low | 33.7 | Very low | 135 Ų | 135 | 111 Ų | 111 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | 73.5 | 132.9 | 139.4 | -65.7 | 165 | 0 | 0 | 0 | 118.5 | ||||
| 351 | V | 31.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 115.4 Ų | 115.4 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | 72.6 | 154.5 | 54.2 | -104 | 0 | 0 | 0 | 0 | 116.4 | N219 | N219-V351 PolarHBondContact ND2-O 3.13Š| |||
| 352 | T | 28.2 | Very low | 32.9 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 64% | 0.644 | 70% | 0.704 | S | S | * | * | cis | -161.7 | 161 | 18.5 | -18.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 353 | V | 28.5 | Very low | 32.7 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | trans | 51.8 | 128.6 | 155.7 | -79.1 | 0 | 0 | 0 | 0 | 128.3 | ||||
| 354 | S | 27.9 | Very low | 32.5 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | 62.5 | 167 | 117 | -142.6 | 0 | 0 | 0 | 0 | 127.5 | K195 | K195-S354 WeakPolarHBondContact CE-O 3.43Å; K195-S354 PolarHBondContact NZ-O 3.09Å | |||
| 355 | A | 35.2 | Very low | 32.3 | Very low | 62 Ų | 62 | 115.4 Ų | 115.4 | 51% | 0.512 | 69% | 0.694 | S | S | . | * | trans | 84.6 | 151.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 126.6 | K194 K195 | K194-A355 WeakPolarHBondContact CD-O 3.35Å; K194-A355 PolarHBondContact NZ-O 3.19Å; K194-A355 VanDerWaalsContact NZ-O 3.15Å; K195-A355 VanDerWaalsContact CE-O 3.3Å; K195-A355 WeakPolarHBondContact CE-O 3.05Å; K195-A355 WeakPolarHBondContact CG-O 3.48Å | ||
| 356 | A | 28.9 | Very low | 32.3 | Very low | 61 Ų | 61 | 118.5 Ų | 118.5 | 50% | 0.504 | 70% | 0.697 | S | S | . | * | trans | -73.7 | -171.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K194 | K194-A356 VanDerWaalsContact CD-C 3.46Å; K194-A356 VanDerWaalsContact NZ-C 3.33Å; K194-A356 PolarHBondContact NZ-O 3.2Å | ||
| 357 | P | 52.1 | Low | 33 | Very low | 100 Ų | 100 | 118.3 Ų | 118.3 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | cis | -140.2 | -124.7 | 35.5 | 42.9 | -18.6 | 0 | 0 | 0 | 117.3 | ||||
| 358 | D | 31.2 | Very low | 32.9 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 57% | 0.572 | 69% | 0.691 | S | S | * | * | trans | -161.9 | -171.2 | -143.4 | -154.2 | -68.6 | 0 | 0 | 0 | 113.3 | K193 | K193-D358 WeakPolarHBondContact CE-OD2 3.45Å; K193-D358 IonicContact NZ-OD2 3.91Å; K193-D358 PolarHBondContact NZ-OD2 3.15Å | ||
| 359 | V | 36.2 | Very low | 31.8 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | trans | 123.7 | 112.4 | 149.4 | 177.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 360 | S | 32.5 | Very low | 31.6 | Very low | 103 Ų | 103 | 114.3 Ų | 114.3 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | 51 | 156.3 | 142.3 | -63.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 361 | Q | 33.4 | Very low | 31.7 | Very low | 166 Ų | 166 | 112.1 Ų | 112.1 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | cis | -162.3 | 168.8 | 1.8 | -128.3 | -163.5 | 108.6 | 0 | 0 | 107.4 | ||||
| 362 | T | 30 | Very low | 32.2 | Very low | 102 Ų | 102 | 112.4 Ų | 112.4 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | cis | -153.9 | -176.9 | -6.3 | -21.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 363 | M | 28 | Very low | 32.3 | Very low | 165 Ų | 165 | 118.9 Ų | 118.9 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | cis | -148.9 | -156.9 | 1.2 | -150.9 | 144 | 74.6 | 0 | 0 | 105.8 | ||||
| 364 | S | 26.1 | Very low | 32.4 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | cis | -159.5 | -151.3 | 9.2 | -159.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 365 | Q | 28.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 122.3 Ų | 122.3 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -50.1 | 141.8 | 178.5 | -62.9 | 166.5 | 20.9 | 0 | 0 | 114.3 | ||||
| 366 | I | 28.2 | Very low | 32.8 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | cis | 129.9 | 138.7 | 10.2 | -90.8 | 165.3 | 0 | 0 | 0 | 107.9 | ||||
| 367 | P | 43.3 | Very low | 33 | Very low | 103 Ų | 103 | 135 Ų | 135 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -142 | 177.3 | -21 | 41 | -22.1 | 0 | 0 | 0 | 117.1 | ||||
| 368 | S | 28.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | 66.5 | 145.2 | 148.3 | -70.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 369 | A | 28.9 | Very low | 32.3 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | cis | -158.7 | 139.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 370 | T | 27.2 | Very low | 32.2 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | 61.2 | 97.2 | 135.1 | -46.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 371 | A | 31.5 | Very low | 32.2 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 74.3 | 166.5 | 129.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 372 | P | 42.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | -142.8 | 165.4 | -54.3 | 41.2 | -25.3 | 0 | 0 | 0 | 118.2 | |||||
| 373 | R | 31.9 | Very low | 32.2 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | 62.3 | 120.7 | 151.6 | -74.1 | 176.1 | 174.1 | -175.1 | -0.8 | 122.4 | ||||
| 374 | L | 29.2 | Very low | 32.6 | Very low | 167 Ų | 167 | 147 Ų | 147 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | -177.1 | 157.8 | 99 | -164.2 | 62.5 | 0 | 0 | 0 | 112.1 | |||||
| 375 | V | 42.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -94.7 | 161.4 | -175.3 | -66.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 376 | N | 28.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -148.1 | 162.9 | 156.3 | -94.5 | -63.1 | 0 | 0 | 0 | 112.5 | ||||
| 377 | R | 34.4 | Very low | 33.9 | Very low | 239 Ų | 239 | 145.7 Ų | 145.7 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -119.1 | 158.5 | -170.8 | -66 | 174.7 | 171.5 | 133.4 | -5.6 | 112.5 | ||||
| 378 | T | 35.5 | Very low | 33.6 | Very low | 142 Ų | 142 | 147 Ų | 147 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | -108 | 137 | 173.1 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 379 | V | 32.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | trans | -95.8 | 144.5 | 175 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 380 | R | 34.8 | Very low | 34.7 | Very low | 240 Ų | 240 | 151.8 Ų | 151.8 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -105.5 | 137.2 | 169.7 | -64.9 | -174.6 | -173.8 | -106.3 | 3.5 | 110.2 | ||||
| 381 | V | 32.9 | Very low | 35.9 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -98.8 | 138.8 | 165.7 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 382 | A | 31.9 | Very low | 36.4 | Very low | 93 Ų | 93 | 154.6 Ų | 154.6 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -87 | 143.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 383 | M | 31 | Very low | 36.9 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | -118.6 | 137.5 | 164.1 | -82.5 | -172.8 | 65.8 | 0 | 0 | 109.7 | ||||
| 384 | Q | 35.8 | Very low | 37.1 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 151.8 | 175.6 | -64.2 | 164.7 | -7.3 | 0 | 0 | 109.5 | ||
| 385 | V | 33.4 | Very low | 37.4 | Very low | 134 Ų | 134 | 152.7 Ų | 152.7 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 132.3 | 166.6 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | ||
| 386 | P | 38.8 | Very low | 37.1 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 150.3 | -174 | -25.7 | 35.7 | 0 | 0 | 0 | 114.9 | ||
| 387 | V | 37.9 | Very low | 37 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 144.4 | 171.9 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 388 | V | 36 | Very low | 37 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 122.6 | 168.9 | 179 | 0 | 0 | 0 | 0 | 108.9 | ||
| 389 | M | 35.2 | Very low | 36.6 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -105.9 | 118.7 | 167.8 | -71.6 | -167.5 | 69.7 | 0 | 0 | 110 | ||||
| 390 | T | 45.3 | Very low | 36.6 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -86.5 | 155.7 | 164.7 | 47.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 391 | S | 52.3 | Low | 36.2 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -94.2 | 123.1 | -166.9 | 47.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 392 | L | 42 | Very low | 36 | Very low | 179 Ų | 179 | 143 Ų | 143 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | trans | -141.2 | 135.1 | 141.3 | -161.2 | 62 | 0 | 0 | 0 | 109.4 | ||||
| 393 | G | 52.6 | Low | 36.2 | Very low | 72 Ų | 72 | 146.4 Ų | 146.4 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -75.1 | 142.8 | -152.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 394 | Q | 37.1 | Very low | 36.1 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -123 | 152.7 | 149.9 | -70.9 | -167.4 | -15.8 | 0 | 0 | 109.6 | ||||
| 395 | K | 34.7 | Very low | 35.8 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -66 | 141.5 | -168.3 | -100.7 | -174.5 | 174 | -177.8 | 0 | 112.9 | ||||
| 396 | I | 36.9 | Very low | 35.5 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -61.2 | 133.5 | 164.7 | -58.6 | 162.8 | 0 | 0 | 0 | 109.2 | ||||
| 397 | S | 27.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -126.7 | 126.9 | 148.5 | -166.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 398 | T | 33.3 | Very low | 34.8 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 69% | 0.693 | 81% | 0.81 | S | S | * | * | trans | -95.6 | 136.3 | -174.6 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 399 | V | 27.7 | Very low | 34.6 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | -127.5 | 78 | 168.9 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | M401 | V399-M401 PolarHBondContact O-N 3.07Š| ||
| 400 | A | 31.6 | Very low | 34.5 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | trans | -73.3 | 114.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q402 | A400-Q402 PolarHBondContact O-N 3.21Å; A400-Q402 VanDerWaalsContact O-N 3.11Å | ||
| 401 | M | 25.8 | Very low | 34.7 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -74.2 | 103.6 | 166.4 | -90.2 | -159.2 | 157.8 | 0 | 0 | 109.9 | V399 Q403 | V399-M401 PolarHBondContact O-N 3.07Å; M401-Q403 PolarHBondContact O-N 3.34Å | ||
| 402 | Q | 29.1 | Very low | 33.6 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.5 | -179.7 | -171 | 71.5 | 53.2 | 0 | 0 | 112.5 | A400 | A400-Q402 PolarHBondContact O-N 3.21Å; A400-Q402 VanDerWaalsContact O-N 3.11Å |
| 403 | Q | 35.8 | Very low | 33.6 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 135.5 | 159.2 | -66.9 | -175.6 | -86.6 | 0 | 0 | 109.8 | M401 | M401-Q403 PolarHBondContact O-N 3.34Š|
| 404 | P | 29.8 | Very low | 32.8 | Very low | 128 Ų | 128 | 132 Ų | 132 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 141.9 | 153.9 | -17.7 | 32.6 | 0 | 0 | 0 | 109.9 | ||
| 405 | A | 29.6 | Very low | 32.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 163.4 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 406 | G | 27.1 | Very low | 32.9 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 132.8 | 113.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 407 | T | 29.9 | Very low | 32.8 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | cis | -148 | 170.7 | 4.9 | -51.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 408 | T | 32.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -46.8 | 150.8 | 175.4 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 409 | V | 31.8 | Very low | 33.2 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | -148 | -179.7 | 57.7 | -160.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 410 | A | 32.9 | Very low | 33.6 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -92.3 | -155.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 411 | P | 49.5 | Very low | 33.5 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | -109.4 | 154.8 | -119.4 | 34.9 | -18.9 | 0 | 0 | 0 | 116.3 | |||||
| 412 | G | 29.6 | Very low | 34.1 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -154.4 | 151.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 413 | P | 41.7 | Very low | 34.3 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -99.8 | 169.3 | -164.8 | 38.4 | -37.5 | 0 | 0 | 0 | 116.5 | ||||
| 414 | T | 35.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 117 Ų | 117 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | 61.9 | 102.2 | 157 | 40.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 415 | T | 34.7 | Very low | 34.6 | Very low | 112 Ų | 112 | 116 Ų | 116 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 114.5 | 154.8 | -50.2 | 0 | 0 | 0 | 0 | 109.9 | L417 | T415-L417 HydrophobicContact CG2-CD2 4.34Š| ||
| 416 | L | 37.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 115.8 Ų | 115.8 | 60% | 0.602 | 77% | 0.771 | S | S | * | * | trans | -84.1 | 119.1 | 170.2 | -71.7 | 171.1 | 0 | 0 | 0 | 110.3 | T418 I437 | L416-T418 PolarHBondContact O-N 3.18Å; L416-I437 HydrophobicContact CD2-CG2 4.33Å | ||
| 417 | L | 35.5 | Very low | 35.7 | Very low | 162 Ų | 162 | 117.5 Ų | 117.5 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -93.2 | 77.2 | 177.2 | -70.5 | 176.3 | 0 | 0 | 0 | 111.5 | T415 N419 | T415-L417 HydrophobicContact CG2-CD2 4.34Å; L417-N419 PolarHBondContact O-N 3.05Å | ||
| 418 | T | 36.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | -75.2 | 106.7 | 172.3 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | L416 A420 | L416-T418 PolarHBondContact O-N 3.18Å; T418-A420 VanDerWaalsContact C-N 3.32Å; T418-A420 HydrophobicContact CG2-CB 4.26Å; T418-A420 PolarHBondContact O-N 2.81Å | ||
| 419 | N | 33 | Very low | 36.7 | Very low | 153 Ų | 153 | 118.1 Ų | 118.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -78.9 | 76.6 | 174.8 | -175.2 | 36.9 | 0 | 0 | 0 | 111.8 | L417 | L417-N419 PolarHBondContact O-N 3.05Š| ||
| 420 | A | 35.6 | Very low | 37.3 | Very low | 78 Ų | 78 | 118.1 Ų | 118.1 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | trans | -106.1 | 114.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T418 | T418-A420 VanDerWaalsContact C-N 3.32Å; T418-A420 HydrophobicContact CG2-CB 4.26Å; T418-A420 PolarHBondContact O-N 2.81Å | ||
| 421 | S | 29.8 | Very low | 37.8 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -97.3 | 119.4 | 171.6 | -68 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 422 | P | 38.5 | Very low | 37.5 | Very low | 128 Ų | 128 | 121 Ų | 121 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -84.5 | 119.2 | -178.2 | 31.8 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 423 | I | 32.6 | Very low | 38.2 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -133 | 135.4 | 160.5 | -63.2 | -177.3 | 0 | 0 | 0 | 106.9 | ||||
| 424 | A | 34.6 | Very low | 38.1 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -88.8 | 145.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 425 | A | 38.7 | Very low | 38.8 | Very low | 105 Ų | 105 | 123 Ų | 123 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | trans | 43.4 | 87.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 426 | A | 34.8 | Very low | 39.4 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -146.2 | 135.5 | 135.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 427 | A | 44.6 | Very low | 40 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 88% | 0.884 | 72% | 0.723 | S | S | * | * | trans | -87.7 | 134.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 428 | N | 37.5 | Very low | 40.2 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -153 | 109.3 | 160.2 | -163.3 | -21.2 | 0 | 0 | 0 | 110.1 | N430 | N428-N430 PolarHBondContact O-N 3.33Š| ||
| 429 | P | 44.8 | Very low | 40.9 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | trans | -88.8 | 28.5 | -159.1 | 36.2 | -38.7 | 0 | 0 | 0 | 115.9 | ||||
| 430 | N | 44.2 | Very low | 41.4 | Very low | 146 Ų | 146 | 117 Ų | 117 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | -144.5 | 65 | 178.2 | -157.1 | 4.1 | 0 | 0 | 0 | 114.8 | N428 | N428-N430 PolarHBondContact O-N 3.33Š| ||
| 431 | S | 44.8 | Very low | 41.7 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | trans | -133.4 | 127.2 | 163.7 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | Q433 | S431-Q433 PolarHBondContact O-N 3.3Å; S431-Q433 VanDerWaalsContact O-N 3.07Å | ||
| 432 | Q | 42.1 | Very low | 42.5 | Very low | 193 Ų | 193 | 115.3 Ų | 115.3 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | trans | -80.2 | 88.6 | -177.8 | -69.2 | -168.6 | -0.7 | 0 | 0 | 111.5 | K434 | Q432-K434 PolarHBondContact O-N 3.28Š| ||
| 433 | Q | 45.1 | Very low | 42.7 | Very low | 151 Ų | 151 | 113.3 Ų | 113.3 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -76.3 | 102.4 | 170.2 | -64.7 | -169.6 | 7.8 | 0 | 0 | 110.7 | S431 | S431-Q433 PolarHBondContact O-N 3.3Å; S431-Q433 VanDerWaalsContact O-N 3.07Å | ||
| 434 | K | 39.2 | Very low | 43.6 | Very low | 139 Ų | 139 | 109.6 Ų | 109.6 | 60% | 0.604 | 65% | 0.646 | S | S | * | * | trans | -86.7 | 106.3 | 173.3 | 175.9 | 170.2 | 170 | 159.8 | 0 | 110.4 | Q432 V436 T463 | Q432-K434 PolarHBondContact O-N 3.28Å; K434-V436 HydrophobicContact CG-CG2 4.38Å; K434-T463 HydrophobicContact CD-CG2 4.09Å; K434-T463 VanDerWaalsContact CE-CG2 3.44Å; K434-T463 VanDerWaalsContact CE-OG1 3.24Å; K434-T463 WeakPolarHBondContact CE-OG1 3.24Å; K434-T463 HydrophobicContact CG-CG2 4.22Å; K434-T463 PolarHBondContact NZ-OG1 3.23Å | ||
| 435 | V | 50.8 | Low | 44.4 | Very low | 62 Ų | 62 | 110.6 Ų | 110.6 | 38% | 0.376 | 65% | 0.645 | S | S | . | * | trans | -78 | 130.8 | 171.7 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | I437 L469 | V435-I437 HydrophobicContact CG1-CG1 4.32Å; V435-L469 HydrophobicContact CB-CD1 4.46Å; V435-L469 HydrophobicContact CG2-CD1 3.96Å | ||
| 436 | V | 46.7 | Very low | 44.9 | Very low | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.5 | 173 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | K434 I461 | K434-V436 HydrophobicContact CG-CG2 4.38Å; V436-I461 HydrophobicContact CG1-CG2 4.05Å |
| 437 | I | 50.2 | Low | 45.7 | Very low | 67 Ų | 67 | 108.1 Ų | 108.1 | 34% | 0.344 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.2 | 175.5 | -57.2 | 177.1 | 0 | 0 | 0 | 107.6 | L416 V435 I464 | L416-I437 HydrophobicContact CD2-CG2 4.33Å; V435-I437 HydrophobicContact CG1-CG1 4.32Å; I437-I464 HydrophobicContact CD1-CD1 4.13Å |
| 438 | Q | 40.5 | Very low | 46.1 | Very low | 175 Ų | 175 | 104.9 Ų | 104.9 | 82% | 0.818 | 59% | 0.587 | S | S | * | * | trans | -90.2 | 108.6 | 175.6 | -173.8 | 173.8 | 2.6 | 0 | 0 | 109.6 | ||||
| 439 | T | 50.5 | Low | 46.9 | Very low | 74 Ų | 74 | 107.6 Ų | 107.6 | 45% | 0.454 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -79.2 | 147.7 | 169.2 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 440 | I | 43.7 | Very low | 47.4 | Very low | 128 Ų | 128 | 107.7 Ų | 107.7 | 66% | 0.656 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 131.9 | 174.5 | -58.8 | 175.1 | 0 | 0 | 0 | 107.8 | T442 | I440-T442 PolarHBondContact O-N 2.98Š|
| 441 | P | 41.3 | Very low | 48 | Very low | 41 Ų | 41 | 103.4 Ų | 103.4 | 27% | 0.266 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 119.9 | -176 | 25.8 | -33.6 | 0 | 0 | 0 | 111.8 | M443 Q457 | P441-M443 PolarHBondContact O-N 2.98Å; P441-Q457 HydrophobicContact CB-CB 4.07Å; P441-Q457 HydrophobicContact CB-CG 4.14Å; P441-Q457 HydrophobicContact CG-CG 4.33Å |
| 442 | T | 47.9 | Very low | 48.2 | Very low | 107 Ų | 107 | 104.1 Ų | 104.1 | 66% | 0.656 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 129.4 | 165.8 | -74.6 | 0 | 0 | 0 | 0 | 109.6 | I440 V444 | I440-T442 PolarHBondContact O-N 2.98Å; T442-V444 HydrophobicContact CG2-CG2 4.17Å |
| 443 | M | 42.8 | Very low | 48.5 | Very low | 86 Ų | 86 | 103 Ų | 103 | 42% | 0.424 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 112.8 | 171.1 | -70.8 | -98.1 | 49.9 | 0 | 0 | 109.4 | P441 V456 Q457 | P441-M443 PolarHBondContact O-N 2.98Å; M443-V456 VanDerWaalsContact CE-C 3.41Å; M443-V456 VanDerWaalsContact CE-O 3.31Å; M443-V456 WeakPolarHBondContact CE-O 3.46Å; M443-Q457 HydrophobicContact CE-CB 4.35Å; M443-Q457 HydrophobicContact CE-CG 3.47Å; M443-Q457 VanDerWaalsContact CE-CG 3.47Å; M443-Q457 HydrophobicContact CG-CG 4.4Å; M443-Q457 HydrophobicContact SD-CG 3.72Å |
| 444 | V | 51.4 | Low | 48.8 | Very low | 82 Ų | 82 | 100.4 Ų | 100.4 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.9 | 170.6 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | T442 A446 | T442-V444 HydrophobicContact CG2-CG2 4.17Å; V444-A446 PolarHBondContact O-N 3.5Å |
| 445 | P | 50.6 | Low | 49.3 | Very low | 114 Ų | 114 | 98.5 Ų | 98.5 | 74% | 0.74 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.3 | 116.3 | 174.3 | 29.2 | -31.7 | 0 | 0 | 0 | 109.6 | ||
| 446 | A | 50.1 | Low | 49.1 | Very low | 51 Ų | 51 | 98.8 Ų | 98.8 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V444 I454 | V444-A446 PolarHBondContact O-N 3.5Å; A446-I454 PolarHBondContact O-N 2.98Å |
| 447 | T | 51.3 | Low | 49.2 | Very low | 106 Ų | 106 | 100.8 Ų | 100.8 | 65% | 0.65 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.2 | 171.7 | 45.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 448 | A | 52.9 | Low | 49.2 | Very low | 39 Ų | 39 | 103.9 Ų | 103.9 | 32% | 0.322 | 58% | 0.581 | S | S | . | * | trans | -71.5 | 153.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | N450 G451 D452 I454 | A448-N450 PolarHBondContact O-N 3.48Å; A448-G451 PolarHBondContact O-N 3.33Å; A448-G451 VanDerWaalsContact O-N 3.16Å; A448-D452 PolarHBondContact N-O 3.12Å; A448-I454 HydrophobicContact CB-CD1 4.37Å | ||
| 449 | E | 54.3 | Low | 49.6 | Very low | 195 Ų | 195 | 99.2 Ų | 99.2 | 91% | 0.911 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -23.7 | -177.4 | 66.7 | -165.9 | 162.5 | 0 | 0 | 113.3 | G451 | E449-G451 PolarHBondContact O-N 3.43Š|
| 450 | N | 55.1 | Low | 49.4 | Very low | 135 Ų | 135 | 104.1 Ų | 104.1 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 3.5 | 176.7 | -57 | 47 | 0 | 0 | 0 | 114.2 | A448 D452 | A448-N450 PolarHBondContact O-N 3.48Å; N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 3.42Å |
| 451 | G | 56.8 | Low | 49.7 | Very low | 57 Ų | 57 | 104.3 Ų | 104.3 | 59% | 0.588 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 86.5 | -20.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A448 E449 K453 | A448-G451 PolarHBondContact O-N 3.33Å; A448-G451 VanDerWaalsContact O-N 3.16Å; E449-G451 PolarHBondContact O-N 3.43Å; G451-K453 PolarHBondContact O-N 3.21Å |
| 452 | D | 49.1 | Very low | 50.1 | Low | 103 Ų | 103 | 107.7 Ų | 107.7 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | trans | -63.6 | 129.4 | 174.7 | -82.4 | -37.5 | 0 | 0 | 0 | 112.2 | A448 N450 I454 | A448-D452 PolarHBondContact N-O 3.12Å; N450-D452 VanDerWaalsContact C-N 3.29Å; N450-D452 PolarHBondContact O-N 3.42Å; D452-I454 PolarHBondContact O-N 3.25Å | ||
| 453 | K | 47.7 | Very low | 50.2 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 73% | 0.73 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 94.3 | -178.7 | -69.3 | -173.6 | -178.3 | -61.1 | 0 | 110.9 | G451 | G451-K453 PolarHBondContact O-N 3.21Å |
| 454 | I | 51.9 | Low | 50.8 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.8 | 178.6 | -54 | 178.3 | 0 | 0 | 0 | 109.8 | A446 A448 D452 V456 | A446-I454 PolarHBondContact O-N 2.98Å; A448-I454 HydrophobicContact CB-CD1 4.37Å; D452-I454 PolarHBondContact O-N 3.25Å; I454-V456 HydrophobicContact CG2-CG2 3.93Å |
| 455 | T | 49.3 | Very low | 50.8 | Low | 99 Ų | 99 | 103.6 Ų | 103.6 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100 | 105.2 | 177 | 44.4 | 0 | 0 | 0 | 0 | 111 | ||
| 456 | V | 48 | Very low | 51 | Low | 68 Ų | 68 | 101.2 Ų | 101.2 | 41% | 0.412 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.2 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | M443 I454 L458 | M443-V456 VanDerWaalsContact CE-C 3.41Å; M443-V456 VanDerWaalsContact CE-O 3.31Å; M443-V456 WeakPolarHBondContact CE-O 3.46Å; I454-V456 HydrophobicContact CG2-CG2 3.93Å; V456-L458 HydrophobicContact CG1-CD2 4.16Å; V456-L458 HydrophobicContact CG1-CG 4.17Å |
| 457 | Q | 48.3 | Very low | 51.1 | Low | 124 Ų | 124 | 105.3 Ų | 105.3 | 58% | 0.579 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 107.5 | 169.4 | -75.7 | -167.7 | -3.1 | 0 | 0 | 110.7 | P441 M443 A459 | P441-Q457 HydrophobicContact CB-CB 4.07Å; P441-Q457 HydrophobicContact CB-CG 4.14Å; P441-Q457 HydrophobicContact CG-CG 4.33Å; M443-Q457 HydrophobicContact CE-CB 4.35Å; M443-Q457 HydrophobicContact CE-CG 3.47Å; M443-Q457 VanDerWaalsContact CE-CG 3.47Å; M443-Q457 HydrophobicContact CG-CG 4.4Å; M443-Q457 HydrophobicContact SD-CG 3.72Å; Q457-A459 PolarHBondContact O-N 3.27Å |
| 458 | L | 50 | Low | 50.9 | Low | 132 Ų | 132 | 105 Ų | 105 | 69% | 0.691 | 57% | 0.573 | S | S | * | * | trans | -94.3 | 91.7 | 174.6 | -69 | 172.1 | 0 | 0 | 0 | 110.5 | V456 | V456-L458 HydrophobicContact CG1-CD2 4.16Å; V456-L458 HydrophobicContact CG1-CG 4.17Å | ||
| 459 | A | 49.3 | Very low | 50.9 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 63% | 0.628 | 57% | 0.573 | S | S | * | * | trans | -84.2 | 121.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q457 | Q457-A459 PolarHBondContact O-N 3.27Š| ||
| 460 | K | 44.9 | Very low | 50.5 | Low | 177 Ų | 177 | 102.7 Ų | 102.7 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | trans | -113.9 | 98.4 | -177.8 | -160 | 169.6 | -174 | 175.3 | 0 | 110.5 | I462 | K460-I462 PolarHBondContact O-N 3.48Š| ||
| 461 | I | 51.4 | Low | 50.3 | Low | 132 Ų | 132 | 104.7 Ų | 104.7 | 68% | 0.677 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 116.9 | -176.6 | -56.3 | 174.5 | 0 | 0 | 0 | 109.9 | V436 | V436-I461 HydrophobicContact CG1-CG2 4.05Š|
| 462 | I | 48.6 | Very low | 49.7 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.7 | 171.9 | -54.7 | 179.9 | 0 | 0 | 0 | 108.5 | K460 I464 | K460-I462 PolarHBondContact O-N 3.48Å; I462-I464 HydrophobicContact CG2-CG1 4.02Å |
| 463 | T | 51.5 | Low | 49.3 | Very low | 66 Ų | 66 | 110 Ų | 110 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.6 | 165.9 | -67.8 | 0 | 0 | 0 | 0 | 108.3 | K434 | K434-T463 HydrophobicContact CD-CG2 4.09Å; K434-T463 VanDerWaalsContact CE-CG2 3.44Å; K434-T463 VanDerWaalsContact CE-OG1 3.24Å; K434-T463 WeakPolarHBondContact CE-OG1 3.24Å; K434-T463 HydrophobicContact CG-CG2 4.22Å; K434-T463 PolarHBondContact NZ-OG1 3.23Å |
| 464 | I | 55 | Low | 48.9 | Very low | 56 Ų | 56 | 110.2 Ų | 110.2 | 29% | 0.287 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -103.2 | 125 | 174 | -60.2 | 179.5 | 0 | 0 | 0 | 108.4 | I437 I462 Q468 L469 | I437-I464 HydrophobicContact CD1-CD1 4.13Å; I462-I464 HydrophobicContact CG2-CG1 4.02Å; I464-Q468 HydrophobicContact CG2-CB 3.75Å; I464-Q468 HydrophobicContact CG2-CG 4.49Å; I464-L469 HydrophobicContact CG2-CD2 4.41Å; I464-L469 HydrophobicContact CG2-CG 4.48Å |
| 465 | P | 51.7 | Low | 48 | Very low | 67 Ų | 67 | 114.8 Ų | 114.8 | 44% | 0.435 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 140.9 | 172.6 | -22.7 | 34.2 | 0 | 0 | 0 | 111.7 | H467 Q468 | P465-H467 PolarHBondContact O-N 3.32Å; P465-Q468 WeakPolarHBondContact O-CB 3.31Å; P465-Q468 PolarHBondContact O-N 3.47Å |
| 466 | A | 53.8 | Low | 46.9 | Very low | 65 Ų | 65 | 114.9 Ų | 114.9 | 54% | 0.537 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -56.8 | -29.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q468 L469 | A466-Q468 PolarHBondContact O-N 3.45Å; A466-L469 PolarHBondContact O-N 3.38Å |
| 467 | H | 51.5 | Low | 46.1 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 63% | 0.634 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -68.2 | -12.8 | 178.2 | 68.6 | -109.8 | 0 | 0 | 0 | 114.5 | P465 | P465-H467 PolarHBondContact O-N 3.32Š|
| 468 | Q | 47.7 | Very low | 45.7 | Very low | 99 Ų | 99 | 117 Ų | 117 | 46% | 0.463 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -89.9 | -13.2 | 177.9 | -62.7 | -70.9 | -30.4 | 0 | 0 | 113 | I464 P465 A466 T470 | I464-Q468 HydrophobicContact CG2-CB 3.75Å; I464-Q468 HydrophobicContact CG2-CG 4.49Å; P465-Q468 WeakPolarHBondContact O-CB 3.31Å; P465-Q468 PolarHBondContact O-N 3.47Å; A466-Q468 PolarHBondContact O-N 3.45Å; Q468-T470 PolarHBondContact O-N 3.48Å |
| 469 | L | 53 | Low | 44.8 | Very low | 63 Ų | 63 | 114.6 Ų | 114.6 | 33% | 0.33 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -76.4 | -18.9 | -170.9 | -74.8 | 170.4 | 0 | 0 | 0 | 114.4 | V435 I464 A466 Q471 C472 | V435-L469 HydrophobicContact CB-CD1 4.46Å; V435-L469 HydrophobicContact CG2-CD1 3.96Å; I464-L469 HydrophobicContact CG2-CD2 4.41Å; I464-L469 HydrophobicContact CG2-CG 4.48Å; A466-L469 PolarHBondContact O-N 3.38Å; L469-Q471 PolarHBondContact O-N 3.4Å; L469-C472 PolarHBondContact O-N 3.34Å; L469-C472 VanDerWaalsContact O-N 3.12Å |
| 470 | T | 47.2 | Very low | 44.1 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -64.8 | -21.2 | -178.8 | 40.1 | 0 | 0 | 0 | 0 | 113.9 | Q468 | Q468-T470 PolarHBondContact O-N 3.48Š|
| 471 | Q | 48.8 | Very low | 43.5 | Very low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -84.5 | -8.8 | 176.3 | -164.6 | 170 | -0.5 | 0 | 0 | 113.5 | L469 | L469-Q471 PolarHBondContact O-N 3.4Š|
| 472 | C | 44.4 | Very low | 42.7 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 68% | 0.676 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -104.9 | 7.3 | -173.2 | -62.1 | 0 | 0 | 0 | 0 | 114.8 | L469 L474 | L469-C472 PolarHBondContact O-N 3.34Å; L469-C472 VanDerWaalsContact O-N 3.12Å; C472-L474 PolarHBondContact O-N 3.08Å |
| 473 | Q | 40.6 | Very low | 42.8 | Very low | 173 Ų | 173 | 118.2 Ų | 118.2 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -89 | 99.3 | -171.3 | -163.5 | 159.7 | 40.5 | 0 | 0 | 112.3 | Q475 | Q473-Q475 PolarHBondContact O-N 3.11Š| ||
| 474 | L | 39.4 | Very low | 41.7 | Very low | 172 Ų | 172 | 121.4 Ų | 121.4 | 90% | 0.901 | 71% | 0.705 | S | S | * | * | trans | -64.2 | 129.9 | 176.3 | -71.6 | 169.9 | 0 | 0 | 0 | 111.7 | C472 | C472-L474 PolarHBondContact O-N 3.08Š| ||
| 475 | Q | 32.8 | Very low | 40.7 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -84.4 | 126.6 | -177.3 | -169.9 | 177.9 | 50.5 | 0 | 0 | 111 | Q473 | Q473-Q475 PolarHBondContact O-N 3.11Š| ||
| 476 | A | 27.4 | Very low | 39.7 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -111.9 | 115.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 477 | S | 30.8 | Very low | 38.7 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -112.8 | 138.4 | 179.9 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 478 | P | 39.9 | Very low | 37.7 | Very low | 129 Ų | 129 | 128 Ų | 128 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -86.3 | 127.5 | -179.9 | 33.4 | -32.6 | 0 | 0 | 0 | 112.1 | ||||
| 479 | G | 30.3 | Very low | 37 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -178.4 | 131.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 480 | A | 35.7 | Very low | 36.3 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -122.3 | 128.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 481 | N | 31.1 | Very low | 35.5 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -165.5 | 166.3 | 136.1 | -102.7 | -41.3 | 0 | 0 | 0 | 112.5 | ||||
| 482 | K | 35.6 | Very low | 34.4 | Very low | 193 Ų | 193 | 130.2 Ų | 130.2 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -96.1 | -179 | -173.6 | -62.1 | -179.7 | -179 | 176.4 | 0 | 111.4 | ||||
| 483 | P | 51 | Low | 33.6 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -135.8 | -164.5 | -53.9 | 37.5 | -19.8 | 0 | 0 | 0 | 112.1 | |||||
| 484 | N | 28.7 | Very low | 33.2 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 116.6 | 155.7 | 135.3 | -153.1 | 21.1 | 0 | 0 | 0 | 118.4 | ||||
| 485 | M | 33.2 | Very low | 33 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | 67.3 | 161.6 | 175.6 | -66.2 | -66.1 | 100.9 | 0 | 0 | 116.8 | ||||
| 486 | A | 30.4 | Very low | 32.8 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -150.8 | -178.1 | -146.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 487 | A | 32.3 | Very low | 33 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | 87.8 | 114.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 488 | S | 31.2 | Very low | 33 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 43.3 | 115.4 | 144.6 | 60.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 489 | S | 32.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | -157.3 | 163 | 102.3 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 490 | T | 38 | Very low | 32.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | -87.9 | 131.7 | 178.9 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 491 | G | 30.9 | Very low | 32.2 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 119.9 | 117.8 | 168 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 492 | I | 25.6 | Very low | 32.2 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -92.4 | 102 | 167.3 | -58.3 | 177.4 | 0 | 0 | 0 | 107.2 | L494 | I492-L494 PolarHBondContact O-N 2.91Š| ||
| 493 | S | 27 | Very low | 32.1 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -67.4 | 115.4 | 174.2 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | L495 | S493-L495 PolarHBondContact O-N 2.95Š| ||
| 494 | L | 32.2 | Very low | 31 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -86 | 94.1 | 168.7 | -145.9 | 88.6 | 0 | 0 | 0 | 108.9 | I492 | I492-L494 PolarHBondContact O-N 2.91Š| ||
| 495 | L | 35.9 | Very low | 31.4 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -102.7 | 92.6 | -176.6 | -142.4 | 170 | 0 | 0 | 0 | 109.7 | S493 | S493-L495 PolarHBondContact O-N 2.95Š| ||
| 496 | G | 29.6 | Very low | 31.4 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -178.2 | 56.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 497 | S | 30.6 | Very low | 31.5 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 67.8 | 120 | 172.3 | -57.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 498 | P | 32.2 | Very low | 31.8 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -85.3 | 129.5 | 177.9 | 33.1 | -32.8 | 0 | 0 | 0 | 112.7 | ||||
| 499 | L | 27.9 | Very low | 32 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -94.7 | 112.3 | 159.4 | -75.5 | 175.3 | 0 | 0 | 0 | 109.4 | V501 | L499-V501 PolarHBondContact O-N 3.31Š| ||
| 500 | T | 31.4 | Very low | 32.3 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -69.9 | 92.5 | -177.7 | -54 | 0 | 0 | 0 | 0 | 111.5 | R502 | T500-R502 VanDerWaalsContact C-N 3.28Å; T500-R502 PolarHBondContact O-N 3.19Å | ||
| 501 | V | 29.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -72.2 | 86.4 | 167 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | L499 A503 | L499-V501 PolarHBondContact O-N 3.31Å; V501-A503 PolarHBondContact O-N 3.16Å; V501-A503 VanDerWaalsContact O-N 3.11Å | ||
| 502 | R | 29.7 | Very low | 33 | Very low | 213 Ų | 213 | 129.1 Ų | 129.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 107.4 | 172.1 | -172.1 | 176.8 | -171 | 165.2 | 2.1 | 108.4 | T500 L504 | T500-R502 VanDerWaalsContact C-N 3.28Å; T500-R502 PolarHBondContact O-N 3.19Å; R502-L504 PolarHBondContact O-N 3.21Å; R502-L504 VanDerWaalsContact O-N 3.08Å | ||
| 503 | A | 33.3 | Very low | 33.4 | Very low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -59.8 | 113.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | V501 | V501-A503 PolarHBondContact O-N 3.16Å; V501-A503 VanDerWaalsContact O-N 3.11Å | ||
| 504 | L | 29.5 | Very low | 34.2 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -79.2 | 125.1 | 169.5 | -67.4 | 176.2 | 0 | 0 | 0 | 108.4 | R502 | R502-L504 PolarHBondContact O-N 3.21Å; R502-L504 VanDerWaalsContact O-N 3.08Å | ||
| 505 | A | 35.8 | Very low | 34.4 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | trans | -61.1 | 153.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V507 | A505-V507 PolarHBondContact O-N 3.42Š| ||
| 506 | P | 33.2 | Very low | 34.3 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -63.8 | 107.6 | -179.9 | 26.2 | -34.5 | 0 | 0 | 0 | 110.7 | N508 | P506-N508 PolarHBondContact O-N 3.37Š| ||
| 507 | V | 33.1 | Very low | 34.5 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -71.4 | 110.7 | 170 | 170.2 | 0 | 0 | 0 | 0 | 108.3 | A505 V509 | A505-V507 PolarHBondContact O-N 3.42Å; V507-V509 HydrophobicContact CG1-CG2 3.96Å; V507-V509 PolarHBondContact O-N 3.33Å | ||
| 508 | N | 37.8 | Very low | 34.5 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -71.6 | 121.5 | 168.6 | -174.6 | 8.3 | 0 | 0 | 0 | 108.8 | P506 | P506-N508 PolarHBondContact O-N 3.37Š| ||
| 509 | V | 35.5 | Very low | 34.7 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 63% | 0.63 | 80% | 0.803 | S | S | * | * | trans | -109.1 | 110.9 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V507 | V507-V509 HydrophobicContact CG1-CG2 3.96Å; V507-V509 PolarHBondContact O-N 3.33Å | ||
| 510 | A | 39.1 | Very low | 35.2 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 153.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G512 | A510-G512 PolarHBondContact O-N 3.11Š| ||
| 511 | P | 33.5 | Very low | 35.8 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 125.6 | 178.8 | 26.8 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 512 | G | 50.3 | Low | 36.2 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153 | -10.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | A510 Q514 | A510-G512 PolarHBondContact O-N 3.11Å; G512-Q514 PolarHBondContact O-N 3.29Å |
| 513 | A | 33.9 | Very low | 36.6 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 115.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 514 | Q | 44.3 | Very low | 37.1 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -79.4 | 148.4 | 168.7 | -58.2 | -174.6 | 24 | 0 | 0 | 110.7 | G512 | G512-Q514 PolarHBondContact O-N 3.29Š| ||
| 515 | V | 35.6 | Very low | 37.3 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -129.4 | 128.8 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 516 | M | 33.8 | Very low | 37.4 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -72.9 | 147.4 | -171.4 | -64.8 | 168.7 | 79.2 | 0 | 0 | 112.9 | ||||
| 517 | R | 34 | Very low | 37.6 | Very low | 239 Ų | 239 | 145.7 Ų | 145.7 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -85.6 | 113.4 | 175.9 | -177.5 | 177.6 | -178.8 | 171 | -1.8 | 109.8 | ||||
| 518 | L | 31.9 | Very low | 37.9 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 127.1 | 173.2 | -83.8 | 161.4 | 0 | 0 | 0 | 110.9 | ||
| 519 | T | 35.3 | Very low | 37.9 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 145.6 | 176.9 | -38.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 520 | V | 39.3 | Very low | 38.1 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 133.6 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 521 | P | 44.4 | Very low | 38 | Very low | 117 Ų | 117 | 154.1 Ų | 154.1 | 76% | 0.76 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 136.9 | 172.6 | 30 | -34.2 | 0 | 0 | 0 | 111 | ||
| 522 | T | 37.7 | Very low | 38.3 | Very low | 130 Ų | 130 | 155.2 Ų | 155.2 | 80% | 0.798 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 129.8 | 172.2 | 42 | 0 | 0 | 0 | 0 | 110.9 | ||
| 523 | Q | 36.6 | Very low | 37.4 | Very low | 195 Ų | 195 | 161.5 Ų | 161.5 | 91% | 0.911 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 116.8 | 168.6 | -177.5 | 168.5 | 45.3 | 0 | 0 | 109.2 | ||
| 524 | T | 43.8 | Very low | 37.7 | Very low | 127 Ų | 127 | 168 Ų | 168 | 78% | 0.779 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 133.8 | 175 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 525 | Q | 35.4 | Very low | 37.1 | Very low | 265 Ų | 265 | 165.6 Ų | 165.6 | 100% | 1.238 | 87% | 0.872 | S | S | * | * | -128.1 | 0 | 124.1 | -173.6 | 164.3 | 41.3 | 0 | 0 | 107.2 |
Retrieved 525 of 525 residues in 55.4 ms
(Link to these results)