| 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 | 34.5 | Very low | 35 | Very low | 243 Ų | 243 | 145.9 Ų | 145.9 | 100% | 1.197 | 85% | 0.845 | S | S | * | * | 0 | 111.7 | 0 | -67.9 | 163.7 | 176 | 0 | 0 | 106.1 | |||||
| 2 | A | 37.2 | Very low | 35.6 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | cis | 104 | 114.1 | 33 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3 | L | 38.3 | Very low | 35.4 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | trans | -172.1 | 170.9 | 147.2 | -107.9 | 175.3 | 0 | 0 | 0 | 110.2 | ||||
| 4 | A | 35.1 | Very low | 36.6 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | trans | 72.3 | 90.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 5 | A | 36.2 | Very low | 36.1 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | 72 | 144.5 | 121 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 6 | S | 42.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 148.3 | 174 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | F | 32.5 | Very low | 35.6 | Very low | 212 Ų | 212 | 144.2 Ų | 144.2 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -142.9 | 161.5 | 152.5 | -112.4 | -83.2 | 0 | 0 | 0 | 111.1 | ||||
| 8 | N | 33.4 | Very low | 35.3 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | trans | -113.2 | 140.4 | -159.9 | 174.7 | 18.4 | 0 | 0 | 0 | 111.6 | ||||
| 9 | M | 31.6 | Very low | 35.1 | Very low | 171 Ų | 171 | 137 Ų | 137 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | trans | -172.9 | 125.8 | 149.6 | -105.6 | 165.8 | 74.9 | 0 | 0 | 114.9 | ||||
| 10 | T | 31 | Very low | 35 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 72% | 0.718 | 82% | 0.823 | S | S | * | * | trans | 54.3 | 113.6 | 130.4 | -40.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 11 | N | 32.7 | Very low | 34.9 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | 2.5 | 160.4 | 130.9 | -120.3 | 1.3 | 0 | 0 | 0 | 119.9 | ||||
| 12 | P | 42.4 | Very low | 35 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | cis | -150.6 | 157.6 | 13.2 | 44.5 | -23.6 | 0 | 0 | 0 | 120.6 | ||||
| 13 | Q | 33.3 | Very low | 35.1 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 68 | 178.4 | 141.3 | -105.8 | -176.8 | -35.9 | 0 | 0 | 121.8 | ||||
| 14 | P | 51.8 | Low | 34.9 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | -135.6 | 175.8 | -126.3 | 45.7 | -26.6 | 0 | 0 | 0 | 118.9 | |||||
| 15 | A | 29.8 | Very low | 34.9 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -159.7 | 121.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | I | 31.3 | Very low | 34.7 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 82.2 | 95.8 | 77.5 | -64.2 | 160.3 | 0 | 0 | 0 | 114.4 | |||||
| 17 | E | 32.1 | Very low | 34.2 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | trans | -175.6 | 141.9 | 140.5 | -105.7 | -175.3 | 156.7 | 0 | 0 | 107.9 | ||||
| 18 | G | 29.1 | Very low | 34.1 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | cis | 175.5 | 87.5 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 19 | G | 31.3 | Very low | 33.9 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 77.5 | 159.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 20 | I | 33.8 | Very low | 33.8 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 86% | 0.862 | 76% | 0.76 | S | S | * | * | cis | -153.9 | 167.9 | -9.2 | 55.4 | 174.5 | 0 | 0 | 0 | 106.9 | ||||
| 21 | S | 33 | Very low | 33.8 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | cis | -153.8 | -167.2 | 5.4 | -149 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 22 | E | 37.5 | Very low | 33.8 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 9.7 | 143.9 | 142.9 | -72.2 | 154 | 115.8 | 0 | 0 | 120.8 | ||||
| 23 | V | 37.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | cis | -137.5 | 132 | 12.7 | -170.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 24 | E | 33.8 | Very low | 33 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | 43.7 | 139.2 | 94.6 | -106.1 | -169.5 | 135.2 | 0 | 0 | 115.3 | |||||
| 25 | I | 36.3 | Very low | 31.9 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | cis | -135.6 | 157 | 14.2 | -55.3 | 175.3 | 0 | 0 | 0 | 109.6 | ||||
| 26 | I | 31.8 | Very low | 31.7 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | trans | -112.3 | 171.1 | -177.9 | -59.6 | 167.2 | 0 | 0 | 0 | 110.2 | ||||
| 27 | S | 31 | Very low | 31.7 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | 86.4 | 152.9 | 151.7 | -102.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 28 | Q | 30.2 | Very low | 31.7 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | cis | -150.4 | 149.5 | -7.6 | -148.4 | 155.8 | -39.6 | 0 | 0 | 112.7 | V30 | Q28-V30 HydrophobicContact CB-CG2 4.23Å; Q28-V30 HydrophobicContact CG-CG2 3.92Å | ||
| 29 | Q | 29.6 | Very low | 32.1 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -91.6 | 125.9 | 158.3 | 174.9 | -177.7 | -16.2 | 0 | 0 | 108.4 | ||||
| 30 | V | 30.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -139.4 | 117.4 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | Q28 | Q28-V30 HydrophobicContact CB-CG2 4.23Å; Q28-V30 HydrophobicContact CG-CG2 3.92Å | ||
| 31 | D | 30.5 | Very low | 31.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | -71.7 | 143 | 158.9 | -74.8 | -95.2 | 0 | 0 | 0 | 110 | ||||
| 32 | E | 32.3 | Very low | 31.3 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | -161.2 | 159.1 | 120.5 | -130.4 | 173.9 | 88.6 | 0 | 0 | 111.9 | |||||
| 33 | E | 31.1 | Very low | 30.8 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -100.3 | 167.7 | -176.6 | -66.9 | -171.3 | 93.5 | 0 | 0 | 113.3 | ||||
| 34 | T | 28.6 | Very low | 30.3 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 89.8 | 124.7 | 153.6 | 81.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 35 | K | 28.5 | Very low | 29.9 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | 103.3 | 90.4 | 127.7 | -154.2 | 162.9 | -174.6 | 176.2 | 0 | 120 | |||||
| 36 | S | 26.6 | Very low | 29.6 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 58.7 | 127.3 | 141.5 | 67.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 37 | I | 29.3 | Very low | 29.3 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | -166.1 | 141.1 | 116.6 | -97.9 | 150.6 | 0 | 0 | 0 | 109.7 | |||||
| 38 | A | 33.5 | Very low | 29.3 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -133 | 147.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 39 | P | 38 | Very low | 29.3 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -153.5 | -169.4 | 93.2 | 35.4 | -13.7 | 0 | 0 | 0 | 114.6 | |||||
| 40 | V | 27.3 | Very low | 29.3 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 70.2 | 102.5 | 166.7 | -171.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 41 | Q | 26.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | 73.4 | 100.7 | 50.5 | -163.4 | -175.5 | 35.7 | 0 | 0 | 114 | V43 | Q41-V43 HydrophobicContact CG-CG2 4.16Š| |||
| 42 | L | 27.3 | Very low | 29.8 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 94% | 0.942 | 78% | 0.775 | S | S | * | * | trans | -118.7 | 145.4 | 156 | -164 | 70.3 | 0 | 0 | 0 | 108.9 | ||||
| 43 | V | 27.1 | Very low | 30 | Very low | 106 Ų | 106 | 143 Ų | 143 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | trans | -110.9 | 121.9 | -162.1 | 169 | 0 | 0 | 0 | 0 | 111.7 | Q41 | Q41-V43 HydrophobicContact CG-CG2 4.16Š| ||
| 44 | N | 26.6 | Very low | 30 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 40.1 | 124.9 | 138.8 | -163.4 | 28.2 | 0 | 0 | 0 | 119.7 | ||||
| 45 | F | 25.9 | Very low | 30.8 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | trans | -137.2 | 130.6 | 151.1 | -121.1 | -85.1 | 0 | 0 | 0 | 109.9 | ||||
| 46 | A | 30.1 | Very low | 31 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | trans | -149.1 | 135.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 47 | Y | 25.6 | Very low | 31.7 | Very low | 217 Ų | 217 | 140.4 Ų | 140.4 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -150 | 126.2 | 164.1 | -117 | -102.6 | 0 | 0 | 0 | 104.9 | ||||
| 48 | R | 29.2 | Very low | 32.1 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 73% | 0.725 | 76% | 0.761 | S | S | * | * | 63.4 | 122.8 | 59.5 | -63.8 | -75.4 | -172.2 | 174.8 | -3.3 | 111.1 | |||||
| 49 | D | 30.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | cis | -167.4 | 156.4 | -1.6 | -122.6 | -1.5 | 0 | 0 | 0 | 112 | ||||
| 50 | L | 30.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 70.3 | 169.3 | 151 | -108.9 | 70.6 | 0 | 0 | 0 | 119.5 | ||||
| 51 | P | 40.8 | Very low | 32.9 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | -134.6 | 167.1 | -83 | 40.2 | -22.8 | 0 | 0 | 0 | 115.9 | |||||
| 52 | L | 29.9 | Very low | 33.4 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 96% | 0.963 | 72% | 0.722 | S | S | * | * | trans | -154.8 | 152.3 | 157.2 | -104.4 | 132.2 | 0 | 0 | 0 | 111.3 | ||||
| 53 | A | 36.6 | Very low | 33.8 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | -123.1 | 119.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 54 | A | 32.2 | Very low | 34.4 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -151 | 119.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 55 | V | 44.9 | Very low | 35 | Very low | 145 Ų | 145 | 126 Ų | 126 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | 53.2 | 74.9 | 60.4 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 56 | D | 31.9 | Very low | 35.6 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | trans | -133.6 | 97.9 | 166.5 | -161.9 | -20.3 | 0 | 0 | 0 | 108.6 | S58 | D56-S58 PolarHBondContact O-N 3.42Å; D56-S58 VanDerWaalsContact O-N 3.11Å; D56-S58 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 57 | L | 42.3 | Very low | 35.9 | Very low | 172 Ų | 172 | 120.3 Ų | 120.3 | 90% | 0.901 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 33.6 | -173 | -162.4 | 68 | 0 | 0 | 0 | 111.8 | ||
| 58 | S | 38.4 | Very low | 36.8 | Very low | 82 Ų | 82 | 116 Ų | 116 | 57% | 0.573 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -39.8 | -172 | -168.5 | 0 | 0 | 0 | 0 | 112.8 | D56 A60 G61 | D56-S58 PolarHBondContact O-N 3.42Å; D56-S58 VanDerWaalsContact O-N 3.11Å; D56-S58 WeakPolarHBondContact OD1-CB 3.38Å; S58-A60 VanDerWaalsContact C-N 3.26Å; S58-A60 PolarHBondContact O-N 3.41Å; S58-G61 PolarHBondContact O-N 3.46Å |
| 59 | T | 36.3 | Very low | 37.3 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 56% | 0.564 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.1 | -19.7 | -172.5 | -36.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 60 | A | 38.5 | Very low | 37.9 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 52% | 0.521 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -70 | -31.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S58 | S58-A60 VanDerWaalsContact C-N 3.26Å; S58-A60 PolarHBondContact O-N 3.41Å |
| 61 | G | 40 | Very low | 38.2 | Very low | 48 Ų | 48 | 110.4 Ų | 110.4 | 50% | 0.495 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.5 | -36.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | S58 Q63 L64 | S58-G61 PolarHBondContact O-N 3.46Å; G61-Q63 VanDerWaalsContact C-N 3.29Å; G61-Q63 PolarHBondContact O-N 2.95Å; G61-L64 PolarHBondContact O-N 3.35Å |
| 62 | S | 37.3 | Very low | 38.2 | Very low | 88 Ų | 88 | 114.2 Ų | 114.2 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.4 | -19.8 | -177.1 | -51.1 | 0 | 0 | 0 | 0 | 114.2 | S66 | S62-S66 PolarHBondContact O-OG 3.11Å |
| 63 | Q | 35.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 113.8 Ų | 113.8 | 58% | 0.584 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.3 | -26.2 | 179.1 | -64.8 | -172.1 | 1.5 | 0 | 0 | 112.9 | G61 S66 N67 | G61-Q63 VanDerWaalsContact C-N 3.29Å; G61-Q63 PolarHBondContact O-N 2.95Å; Q63-S66 WeakPolarHBondContact CA-OG 3.47Å; Q63-S66 PolarHBondContact O-OG 3.24Å; Q63-N67 PolarHBondContact O-N 3.13Å; Q63-N67 PolarHBondContact O-ND2 3.29Å |
| 64 | L | 39.4 | Very low | 38.5 | Very low | 122 Ų | 122 | 116.2 Ų | 116.2 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.7 | -43.5 | 177 | -86.4 | 160.7 | 0 | 0 | 0 | 112.4 | G61 S66 N67 L68 | G61-L64 PolarHBondContact O-N 3.35Å; L64-S66 PolarHBondContact O-N 3.48Å; L64-N67 PolarHBondContact O-N 2.86Å; L64-L68 PolarHBondContact O-N 2.96Å |
| 65 | L | 40 | Very low | 38.7 | Very low | 152 Ų | 152 | 121 Ų | 121 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.4 | -12.4 | 177.4 | -92 | 167.7 | 0 | 0 | 0 | 114.5 | ||
| 66 | S | 37.5 | Very low | 38.3 | Very low | 74 Ų | 74 | 118 Ų | 118 | 52% | 0.517 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -104.1 | -5.6 | 178.5 | 42.8 | 0 | 0 | 0 | 0 | 114.4 | S62 Q63 L64 | S62-S66 PolarHBondContact O-OG 3.11Å; Q63-S66 WeakPolarHBondContact CA-OG 3.47Å; Q63-S66 PolarHBondContact O-OG 3.24Å; L64-S66 PolarHBondContact O-N 3.48Å |
| 67 | N | 36.6 | Very low | 38.7 | Very low | 93 Ų | 93 | 115.6 Ų | 115.6 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -100 | -33 | 171.3 | -76.7 | -99.3 | 0 | 0 | 0 | 112.2 | Q63 L64 D69 E70 | Q63-N67 PolarHBondContact O-N 3.13Å; Q63-N67 PolarHBondContact O-ND2 3.29Å; L64-N67 PolarHBondContact O-N 2.86Å; N67-D69 PolarHBondContact O-N 3.47Å; N67-D69 VanDerWaalsContact O-N 3.1Å; N67-E70 PolarHBondContact O-N 3.49Å |
| 68 | L | 44.2 | Very low | 38.3 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -13.8 | -177.7 | -88.8 | 164.3 | 0 | 0 | 0 | 115.6 | L64 | L64-L68 PolarHBondContact O-N 2.96Š|
| 69 | D | 39.3 | Very low | 38.3 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -23.5 | 173.1 | -161.7 | 53.3 | 0 | 0 | 0 | 112.6 | N67 | N67-D69 PolarHBondContact O-N 3.47Å; N67-D69 VanDerWaalsContact O-N 3.1Å |
| 70 | E | 43.8 | Very low | 38.5 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 47% | 0.472 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | -33.2 | -178.1 | -72.8 | -148.6 | 143.1 | 0 | 0 | 113.9 | N67 Y72 Q73 R74 | N67-E70 PolarHBondContact O-N 3.49Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 3.34Å; E70-Q73 PolarHBondContact O-N 2.82Å; E70-R74 WeakPolarHBondContact O-CB 3.37Å; E70-R74 PolarHBondContact O-N 3.48Å; E70-R74 IonicContact OE2-CZ 3.19Å; E70-R74 IonicContact OE2-NE 2.75Å; E70-R74 IonicContact OE2-NH2 2.64Å; E70-R74 PolarHBondContact OE2-NH2 3.49Å |
| 71 | D | 37.5 | Very low | 38.2 | Very low | 92 Ų | 92 | 129 Ų | 129 | 49% | 0.492 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -65 | -34.8 | -171.2 | -78 | -39 | 0 | 0 | 0 | 113 | Q73 R74 | D71-Q73 PolarHBondContact O-N 3.11Å; D71-Q73 VanDerWaalsContact O-N 3.1Å; D71-R74 PolarHBondContact O-N 3.23Å |
| 72 | Y | 39.2 | Very low | 38.4 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -69.1 | -4.2 | 173.9 | -101.6 | -78.7 | 0 | 0 | 0 | 114.6 | E70 | E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 3.34Å |
| 73 | Q | 36.8 | Very low | 38.7 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -113.1 | 3.4 | 172.5 | -155.6 | 172.1 | 86.3 | 0 | 0 | 112.7 | E70 D71 | E70-Q73 PolarHBondContact O-N 2.82Å; D71-Q73 PolarHBondContact O-N 3.11Å; D71-Q73 VanDerWaalsContact O-N 3.1Å |
| 74 | R | 37.8 | Very low | 39.5 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 56% | 0.555 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -109.7 | -3.1 | -166.1 | -166.6 | 169.6 | -84.4 | -102.5 | 4.1 | 115 | E70 D71 | E70-R74 WeakPolarHBondContact O-CB 3.37Å; E70-R74 PolarHBondContact O-N 3.48Å; E70-R74 IonicContact OE2-CZ 3.19Å; E70-R74 IonicContact OE2-NE 2.75Å; E70-R74 IonicContact OE2-NH2 2.64Å; E70-R74 PolarHBondContact OE2-NH2 3.49Å; D71-R74 PolarHBondContact O-N 3.23Å |
| 75 | E | 34.5 | Very low | 40.3 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -97 | -0.1 | -178.1 | -60.4 | -166.3 | 133 | 0 | 0 | 115 | ||
| 76 | G | 37.6 | Very low | 41 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -104.6 | 3.8 | 179 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 77 | S | 39.9 | Very low | 41.9 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 53% | 0.531 | 70% | 0.696 | S | S | . | * | trans | -138.9 | 63.3 | -150.1 | 48.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 78 | N | 33.8 | Very low | 42.8 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -148.6 | -12.6 | 163.4 | -110.7 | -44.2 | 0 | 0 | 0 | 119.1 | ||
| 79 | W | 38.9 | Very low | 43.6 | Very low | 248 Ų | 248 | 130.5 Ų | 130.5 | 94% | 0.939 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -108.5 | -32.5 | -173.7 | -67.9 | 105 | 0 | 0 | 0 | 115.8 | K81 | W79-K81 PolarHBondContact O-N 2.87Š|
| 80 | L | 39.7 | Very low | 44.5 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 57% | 0.571 | 68% | 0.675 | S | S | * | * | trans | -95.3 | 85.5 | 174.4 | -77 | 172.3 | 0 | 0 | 0 | 111.4 | P82 | L80-P82 WeakPolarHBondContact O-CD 3.19Š| ||
| 81 | K | 33.8 | Very low | 45.3 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | trans | -81.9 | 104.8 | 171.1 | -167.5 | 171.5 | -167.7 | 166 | 0 | 109.7 | W79 C83 | W79-K81 PolarHBondContact O-N 2.87Å; K81-C83 PolarHBondContact O-N 3.04Å | ||
| 82 | P | 42.5 | Very low | 46.4 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | -76.6 | 100 | -173.9 | -7.3 | 25.7 | 0 | 0 | 0 | 109 | L80 C84 G85 | L80-P82 WeakPolarHBondContact O-CD 3.19Å; P82-C84 PolarHBondContact O-N 3.16Å; P82-G85 PolarHBondContact O-N 3.02Å | ||
| 83 | C | 43.4 | Very low | 47.6 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 39.6 | 180 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | K81 | K81-C83 PolarHBondContact O-N 3.04Š|
| 84 | C | 53.5 | Low | 48.6 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 64% | 0.642 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.7 | 26.8 | 171.4 | -94.7 | 0 | 0 | 0 | 0 | 112.2 | P82 K86 R87 | P82-C84 PolarHBondContact O-N 3.16Å; C84-K86 PolarHBondContact O-N 3.19Å; C84-R87 PolarHBondContact O-N 3.36Å |
| 85 | G | 56.9 | Low | 49.8 | Very low | 61 Ų | 61 | 117.6 Ų | 117.6 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 38.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | P82 | P82-G85 PolarHBondContact O-N 3.02Š|
| 86 | K | 54.7 | Low | 51.1 | Low | 183 Ų | 183 | 114.5 Ų | 114.5 | 80% | 0.796 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | -36.8 | 159.9 | -73.2 | -167.8 | 176.8 | -177.9 | 0 | 112.6 | C84 V90 | C84-K86 PolarHBondContact O-N 3.19Å; K86-V90 WeakPolarHBondContact O-CG2 3.47Å |
| 87 | R | 55.7 | Low | 52.7 | Low | 200 Ų | 200 | 111.9 Ų | 111.9 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.4 | -41.7 | 177.6 | -72.3 | -177.1 | 175.7 | 176.1 | -1.2 | 111.6 | C84 A89 V90 W91 | C84-R87 PolarHBondContact O-N 3.36Å; R87-A89 PolarHBondContact O-N 3.22Å; R87-V90 PolarHBondContact O-N 3.1Å; R87-W91 PolarHBondContact O-N 3.29Å |
| 88 | A | 55.9 | Low | 53.9 | Low | 45 Ų | 45 | 112.3 Ų | 112.3 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -54.8 | -50.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V90 W91 Q92 | A88-V90 PolarHBondContact O-N 3.41Å; A88-W91 PolarHBondContact O-N 3.49Å; A88-Q92 WeakPolarHBondContact O-CB 3.27Å; A88-Q92 PolarHBondContact O-N 3.33Å |
| 89 | A | 59.3 | Low | 55.7 | Low | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.1 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R87 Q92 V93 | R87-A89 PolarHBondContact O-N 3.22Å; A89-Q92 PolarHBondContact O-N 3.18Å; A89-V93 WeakPolarHBondContact O-CG2 3.36Å; A89-V93 PolarHBondContact O-N 3.39Å |
| 90 | V | 58.9 | Low | 57.2 | Low | 106 Ų | 106 | 98.7 Ų | 98.7 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.3 | -42 | 175.6 | 174 | 0 | 0 | 0 | 0 | 111.1 | K86 R87 A88 F94 | K86-V90 WeakPolarHBondContact O-CG2 3.47Å; R87-V90 PolarHBondContact O-N 3.1Å; A88-V90 PolarHBondContact O-N 3.41Å; V90-F94 VanDerWaalsContact O-CB 3.3Å; V90-F94 WeakPolarHBondContact O-CB 3.3Å; V90-F94 PolarHBondContact O-N 2.94Å |
| 91 | W | 61.9 | Low | 58.8 | Low | 115 Ų | 115 | 95.4 Ų | 95.4 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 173.7 | -79.1 | 114.1 | 0 | 0 | 0 | 112.1 | R87 A88 F94 L95 V159 | R87-W91 PolarHBondContact O-N 3.29Å; A88-W91 PolarHBondContact O-N 3.49Å; W91-F94 PolarHBondContact O-N 3.37Å; W91-L95 WeakPolarHBondContact O-CB 3.4Å; W91-L95 VanDerWaalsContact O-CG 3.31Å; W91-L95 WeakPolarHBondContact O-CG 3.43Å; W91-L95 PolarHBondContact O-N 2.89Å; W91-V159 HydrophobicContact CB-CG1 3.54Å; W91-V159 HydrophobicContact CG-CG1 4.23Å |
| 92 | Q | 60 | Low | 60.8 | Low | 114 Ų | 114 | 90.4 Ų | 90.4 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 178 | -171.5 | 175.8 | 3.6 | 0 | 0 | 111.5 | A88 A89 F94 L95 L96 | A88-Q92 WeakPolarHBondContact O-CB 3.27Å; A88-Q92 PolarHBondContact O-N 3.33Å; A89-Q92 PolarHBondContact O-N 3.18Å; Q92-F94 VanDerWaalsContact C-N 3.32Å; Q92-F94 PolarHBondContact O-N 2.92Å; Q92-L95 PolarHBondContact O-N 3.23Å; Q92-L96 WeakPolarHBondContact O-CB 3.32Å; Q92-L96 PolarHBondContact O-N 3.18Å |
| 93 | V | 63.3 | Low | 62.5 | Low | 111 Ų | 111 | 89.8 Ų | 89.8 | 67% | 0.673 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -37.8 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | A89 S97 | A89-V93 WeakPolarHBondContact O-CG2 3.36Å; A89-V93 PolarHBondContact O-N 3.39Å; V93-S97 PolarHBondContact O-N 3.2Å |
| 94 | F | 59.5 | Low | 64 | Low | 114 Ų | 114 | 86.3 Ų | 86.3 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 176.2 | -170.8 | -105.3 | 0 | 0 | 0 | 112.1 | V90 W91 Q92 L96 S97 L100 | V90-F94 VanDerWaalsContact O-CB 3.3Å; V90-F94 WeakPolarHBondContact O-CB 3.3Å; V90-F94 PolarHBondContact O-N 2.94Å; W91-F94 PolarHBondContact O-N 3.37Å; Q92-F94 VanDerWaalsContact C-N 3.32Å; Q92-F94 PolarHBondContact O-N 2.92Å; F94-L96 PolarHBondContact O-N 2.93Å; F94-S97 WeakPolarHBondContact O-CB 3.25Å; F94-S97 PolarHBondContact O-N 3.21Å; F94-S97 VanDerWaalsContact O-N 3.15Å; F94-S97 PolarHBondContact O-OG 3.09Å; F94-L100 HydrophobicContact CD1-CD1 3.74Å; F94-L100 HydrophobicContact CE1-CD1 3.68Å; F94-L100 HydrophobicContact CE1-CG 4.48Å; F94-L100 HydrophobicContact CZ-CD1 4.45Å; F94-L100 WeakPolarHBondContact O-CD1 3.47Å |
| 95 | L | 61.5 | Low | 65.1 | Low | 15 Ų | 15 | 84.5 Ų | 84.5 | 8% | 0.079 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.4 | -31.6 | 179.3 | -71.3 | -167.5 | 0 | 0 | 0 | 113.7 | W91 Q92 L100 R156 V159 L160 | W91-L95 WeakPolarHBondContact O-CB 3.4Å; W91-L95 VanDerWaalsContact O-CG 3.31Å; W91-L95 WeakPolarHBondContact O-CG 3.43Å; W91-L95 PolarHBondContact O-N 2.89Å; Q92-L95 PolarHBondContact O-N 3.23Å; L95-L100 HydrophobicContact CD2-CD1 3.73Å; L95-R156 HydrophobicContact CD1-CB 3.99Å; L95-R156 HydrophobicContact CD1-CG 4.09Å; L95-R156 HydrophobicContact CD2-CG 3.82Å; L95-V159 HydrophobicContact CD1-CB 3.79Å; L95-V159 HydrophobicContact CD1-CG1 3.45Å; L95-V159 VanDerWaalsContact CD1-CG1 3.45Å; L95-V159 HydrophobicContact CG-CG1 4.26Å; L95-L160 HydrophobicContact CB-CD2 4.5Å; L95-L160 HydrophobicContact CD1-CD2 4.34Å; L95-L160 HydrophobicContact CD1-CG 3.99Å |
| 96 | L | 61.6 | Low | 66.2 | Low | 123 Ų | 123 | 84.1 Ų | 84.1 | 64% | 0.644 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.4 | 174.4 | -159.3 | 65.7 | 0 | 0 | 0 | 112.7 | Q92 F94 N101 | Q92-L96 WeakPolarHBondContact O-CB 3.32Å; Q92-L96 PolarHBondContact O-N 3.18Å; F94-L96 PolarHBondContact O-N 2.93Å; L96-N101 PolarHBondContact O-ND2 3.14Å |
| 97 | S | 70.9 | Confident | 67.2 | Low | 27 Ų | 27 | 76 Ų | 76 | 19% | 0.189 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -59.7 | 140.9 | -178.2 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | V93 F94 S99 L100 N101 | V93-S97 PolarHBondContact O-N 3.2Å; F94-S97 WeakPolarHBondContact O-CB 3.25Å; F94-S97 PolarHBondContact O-N 3.21Å; F94-S97 VanDerWaalsContact O-N 3.15Å; F94-S97 PolarHBondContact O-OG 3.09Å; S97-S99 PolarHBondContact O-N 3.36Å; S97-S99 VanDerWaalsContact O-N 3.13Å; S97-S99 PolarHBondContact OG-OG 3.33Å; S97-L100 PolarHBondContact O-N 2.82Å; S97-L100 PolarHBondContact OG-N 2.93Å; S97-N101 PolarHBondContact O-N 2.97Å |
| 98 | A | 66.8 | Low | 68.3 | Low | 85 Ų | 85 | 68 Ų | 68 | 70% | 0.702 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56 | -32.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N101 S102 | A98-N101 PolarHBondContact O-N 2.9Å; A98-S102 WeakPolarHBondContact O-CB 3.29Å; A98-S102 PolarHBondContact O-N 2.92Å |
| 99 | S | 70.3 | Confident | 69.5 | Low | 84 Ų | 84 | 70.5 Ų | 70.5 | 59% | 0.587 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 172.1 | 39.4 | 0 | 0 | 0 | 0 | 112.9 | S97 F103 | S97-S99 PolarHBondContact O-N 3.36Å; S97-S99 VanDerWaalsContact O-N 3.13Å; S97-S99 PolarHBondContact OG-OG 3.33Å; S99-F103 WeakPolarHBondContact O-CB 3.42Å; S99-F103 PolarHBondContact O-N 3.12Å |
| 100 | L | 70.6 | Confident | 70.6 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.5 | -26.5 | 178.8 | -80.8 | -165.3 | 0 | 0 | 0 | 112.9 | F94 L95 S97 F103 L104 R156 | F94-L100 HydrophobicContact CD1-CD1 3.74Å; F94-L100 HydrophobicContact CE1-CD1 3.68Å; F94-L100 HydrophobicContact CE1-CG 4.48Å; F94-L100 HydrophobicContact CZ-CD1 4.45Å; F94-L100 WeakPolarHBondContact O-CD1 3.47Å; L95-L100 HydrophobicContact CD2-CD1 3.73Å; S97-L100 PolarHBondContact O-N 2.82Å; S97-L100 PolarHBondContact OG-N 2.93Å; L100-F103 HydrophobicContact CD2-CB 4.4Å; L100-L104 PolarHBondContact O-N 2.88Å; L100-L104 VanDerWaalsContact O-N 3.11Å; L100-R156 PolarHBondContact O-NH1 3.43Å; L100-R156 PolarHBondContact O-NH2 3.03Å |
| 101 | N | 73.5 | Confident | 71.5 | Confident | 39 Ų | 39 | 67 Ų | 67 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.1 | -40.9 | 171.4 | -70.5 | -24.2 | 0 | 0 | 0 | 112 | L96 S97 A98 F103 L104 V105 | L96-N101 PolarHBondContact O-ND2 3.14Å; S97-N101 PolarHBondContact O-N 2.97Å; A98-N101 PolarHBondContact O-N 2.9Å; N101-F103 VanDerWaalsContact C-N 3.26Å; N101-F103 PolarHBondContact O-N 3.28Å; N101-L104 PolarHBondContact O-N 3.43Å; N101-L104 VanDerWaalsContact O-N 3.17Å; N101-V105 PolarHBondContact O-N 3.35Å |
| 102 | S | 77.1 | Confident | 72.4 | Confident | 77 Ų | 77 | 65 Ų | 65 | 54% | 0.538 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 168 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | A98 L104 V105 A106 | A98-S102 WeakPolarHBondContact O-CB 3.29Å; A98-S102 PolarHBondContact O-N 2.92Å; S102-L104 PolarHBondContact O-N 3.2Å; S102-V105 PolarHBondContact O-N 3.39Å; S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 3.16Å |
| 103 | F | 76.6 | Confident | 73.6 | Confident | 86 Ų | 86 | 63.5 Ų | 63.5 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 175 | -164.6 | -97.8 | 0 | 0 | 0 | 112.7 | S99 L100 N101 A106 C107 F149 E152 | S99-F103 WeakPolarHBondContact O-CB 3.42Å; S99-F103 PolarHBondContact O-N 3.12Å; L100-F103 HydrophobicContact CD2-CB 4.4Å; N101-F103 VanDerWaalsContact C-N 3.26Å; N101-F103 PolarHBondContact O-N 3.28Å; F103-A106 PolarHBondContact O-N 3.35Å; F103-C107 VanDerWaalsContact CD1-SG 3.5Å; F103-C107 WeakPolarHBondContact CE1-SG 3.46Å; F103-C107 VanDerWaalsContact O-CB 3.23Å; F103-C107 WeakPolarHBondContact O-CB 3.36Å; F103-C107 PolarHBondContact O-N 2.8Å; F103-C107 PolarHBondContact O-SG 3.23Å; F103-F149 HydrophobicContact CE1-CD1 4.18Å; F103-F149 AromaticContact CE1-CE1 3.93Å; F103-F149 HydrophobicContact CE1-CE1 3.93Å; F103-F149 AromaticContact CZ-CE1 3.89Å; F103-F149 HydrophobicContact CZ-CE1 3.89Å; F103-E152 WeakPolarHBondContact CE1-OE2 3.34Å |
| 104 | L | 75.1 | Confident | 74.2 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 174.8 | -71.6 | 179.4 | 0 | 0 | 0 | 112.2 | L100 N101 S102 C107 V108 | L100-L104 PolarHBondContact O-N 2.88Å; L100-L104 VanDerWaalsContact O-N 3.11Å; N101-L104 PolarHBondContact O-N 3.43Å; N101-L104 VanDerWaalsContact O-N 3.17Å; S102-L104 PolarHBondContact O-N 3.2Å; L104-C107 WeakPolarHBondContact O-CB 3.38Å; L104-C107 PolarHBondContact O-N 3.32Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 2.85Å |
| 105 | V | 77.8 | Confident | 75 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | N101 S102 C107 V108 I109 V215 Y219 | N101-V105 PolarHBondContact O-N 3.35Å; S102-V105 PolarHBondContact O-N 3.39Å; V105-C107 VanDerWaalsContact C-N 3.31Å; V105-C107 PolarHBondContact O-N 2.96Å; V105-V108 PolarHBondContact O-N 3.23Å; V105-I109 HydrophobicContact CG1-CD1 4.13Å; V105-I109 WeakPolarHBondContact O-CG1 3.46Å; V105-I109 PolarHBondContact O-N 3.46Å; V105-I109 VanDerWaalsContact O-N 3.07Å; V105-V215 HydrophobicContact CG2-CG1 4.37Å; V105-Y219 HydrophobicContact CG2-CE2 4.05Å |
| 106 | A | 79.6 | Confident | 75.9 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S102 F103 I109 L110 | S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 3.16Å; F103-A106 PolarHBondContact O-N 3.35Å; A106-I109 PolarHBondContact O-N 2.75Å; A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 PolarHBondContact O-N 3Å |
| 107 | C | 75.4 | Confident | 76.6 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 174.1 | -75.5 | 0 | 0 | 0 | 0 | 111.4 | F103 L104 V105 I109 L110 V111 F149 | F103-C107 VanDerWaalsContact CD1-SG 3.5Å; F103-C107 WeakPolarHBondContact CE1-SG 3.46Å; F103-C107 VanDerWaalsContact O-CB 3.23Å; F103-C107 WeakPolarHBondContact O-CB 3.36Å; F103-C107 PolarHBondContact O-N 2.8Å; F103-C107 PolarHBondContact O-SG 3.23Å; L104-C107 WeakPolarHBondContact O-CB 3.38Å; L104-C107 PolarHBondContact O-N 3.32Å; V105-C107 VanDerWaalsContact C-N 3.31Å; V105-C107 PolarHBondContact O-N 2.96Å; C107-I109 VanDerWaalsContact C-N 3.27Å; C107-I109 PolarHBondContact O-N 3.3Å; C107-L110 PolarHBondContact O-N 3.05Å; C107-V111 WeakPolarHBondContact O-CB 3.44Å; C107-V111 WeakPolarHBondContact O-CG2 3.49Å; C107-V111 PolarHBondContact O-N 3.35Å; C107-F149 VanDerWaalsContact SG-CD1 3.58Å; C107-F149 WeakPolarHBondContact SG-CE1 3.48Å |
| 108 | V | 78.6 | Confident | 76.8 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.3 | -39.4 | 176 | 166.1 | 0 | 0 | 0 | 0 | 111.6 | L104 V105 V111 V112 V212 V215 | L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 2.85Å; V105-V108 PolarHBondContact O-N 3.23Å; V108-V111 WeakPolarHBondContact O-CB 3.41Å; V108-V112 WeakPolarHBondContact O-CG2 3.24Å; V108-V112 PolarHBondContact O-N 3.21Å; V108-V212 HydrophobicContact CG1-CG2 3.73Å; V108-V215 HydrophobicContact CG2-CG2 4.27Å |
| 109 | I | 81.3 | Confident | 77.1 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.3 | -50.1 | 176.9 | -65.4 | 163.8 | 0 | 0 | 0 | 111.3 | V105 A106 C107 V111 V112 I113 | V105-I109 HydrophobicContact CG1-CD1 4.13Å; V105-I109 WeakPolarHBondContact O-CG1 3.46Å; V105-I109 PolarHBondContact O-N 3.46Å; V105-I109 VanDerWaalsContact O-N 3.07Å; A106-I109 PolarHBondContact O-N 2.75Å; C107-I109 VanDerWaalsContact C-N 3.27Å; C107-I109 PolarHBondContact O-N 3.3Å; I109-V111 PolarHBondContact O-N 3.11Å; I109-V112 PolarHBondContact O-N 3Å; I109-V112 VanDerWaalsContact O-N 3.08Å; I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.36Å; I109-I113 PolarHBondContact O-N 2.9Å |
| 110 | L | 81.7 | Confident | 77.3 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57 | -37.8 | 175.5 | -179.1 | 66.5 | 0 | 0 | 0 | 111.5 | A106 C107 I113 L114 F149 | A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 PolarHBondContact O-N 3Å; C107-L110 PolarHBondContact O-N 3.05Å; L110-I113 PolarHBondContact O-N 3.47Å; L110-L114 HydrophobicContact CG-CD1 4.47Å; L110-L114 WeakPolarHBondContact O-CG 3.39Å; L110-L114 PolarHBondContact O-N 3.37Å; L110-F149 HydrophobicContact CD2-CE2 3.89Å; L110-F149 HydrophobicContact CD2-CZ 3.82Å |
| 111 | V | 78.8 | Confident | 77.4 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 173.7 | 143 | 0 | 0 | 0 | 0 | 111.9 | C107 V108 I109 I113 L114 L115 F149 R208 | C107-V111 WeakPolarHBondContact O-CB 3.44Å; C107-V111 WeakPolarHBondContact O-CG2 3.49Å; C107-V111 PolarHBondContact O-N 3.35Å; V108-V111 WeakPolarHBondContact O-CB 3.41Å; I109-V111 PolarHBondContact O-N 3.11Å; V111-I113 VanDerWaalsContact C-N 3.32Å; V111-L114 PolarHBondContact O-N 3.42Å; V111-L115 HydrophobicContact CG1-CD1 4.46Å; V111-L115 VanDerWaalsContact O-CG 3.28Å; V111-L115 WeakPolarHBondContact O-CG 3.44Å; V111-L115 PolarHBondContact O-N 2.95Å; V111-L115 VanDerWaalsContact O-N 3.16Å; V111-F149 HydrophobicContact CG2-CD2 4.43Å; V111-R208 VanDerWaalsContact CG1-CD 3.45Å; V111-R208 HydrophobicContact CG1-CG 4.44Å; V111-R208 VanDerWaalsContact CG1-NE 3.34Å |
| 112 | V | 81.4 | Confident | 77.2 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | V108 I109 L114 L115 T116 | V108-V112 WeakPolarHBondContact O-CG2 3.24Å; V108-V112 PolarHBondContact O-N 3.21Å; I109-V112 PolarHBondContact O-N 3Å; I109-V112 VanDerWaalsContact O-N 3.08Å; V112-L114 PolarHBondContact O-N 2.96Å; V112-L115 PolarHBondContact O-N 3Å; V112-T116 HydrophobicContact CG1-CG2 4.48Å; V112-T116 PolarHBondContact O-N 3.13Å; V112-T116 PolarHBondContact O-OG1 2.93Å |
| 113 | I | 83.8 | Confident | 76.9 | Confident | 82 Ų | 82 | 58 Ų | 58 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.2 | -66.8 | 165 | 0 | 0 | 0 | 111.6 | I109 L110 V111 L115 T116 L117 | I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.36Å; I109-I113 PolarHBondContact O-N 2.9Å; L110-I113 PolarHBondContact O-N 3.47Å; V111-I113 VanDerWaalsContact C-N 3.32Å; I113-L115 VanDerWaalsContact C-N 3.33Å; I113-L115 PolarHBondContact O-N 3.49Å; I113-T116 PolarHBondContact O-N 2.94Å; I113-T116 PolarHBondContact O-OG1 3.41Å; I113-T116 VanDerWaalsContact O-OG1 3.04Å; I113-L117 HydrophobicContact CG2-CD1 4.03Å; I113-L117 HydrophobicContact CG2-CG 4.48Å; I113-L117 WeakPolarHBondContact O-CB 3.35Å; I113-L117 VanDerWaalsContact O-CG 3.27Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 2.96Å |
| 114 | L | 76.4 | Confident | 76.4 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 176.3 | -73.6 | 168.8 | 0 | 0 | 0 | 112.1 | L110 V111 V112 L117 E118 I145 | L110-L114 HydrophobicContact CG-CD1 4.47Å; L110-L114 WeakPolarHBondContact O-CG 3.39Å; L110-L114 PolarHBondContact O-N 3.37Å; V111-L114 PolarHBondContact O-N 3.42Å; V112-L114 PolarHBondContact O-N 2.96Å; L114-L117 PolarHBondContact O-N 3.34Å; L114-E118 VanDerWaalsContact O-CB 3.32Å; L114-E118 WeakPolarHBondContact O-CB 3.28Å; L114-E118 PolarHBondContact O-N 3.11Å; L114-I145 HydrophobicContact CD1-CB 4.23Å; L114-I145 HydrophobicContact CD1-CD1 4.44Å; L114-I145 HydrophobicContact CD1-CG2 3.75Å |
| 115 | L | 76.8 | Confident | 75.4 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 175.7 | -61.5 | 167.6 | 0 | 0 | 0 | 112.5 | V111 V112 I113 E118 L119 I204 R208 | V111-L115 HydrophobicContact CG1-CD1 4.46Å; V111-L115 VanDerWaalsContact O-CG 3.28Å; V111-L115 WeakPolarHBondContact O-CG 3.44Å; V111-L115 PolarHBondContact O-N 2.95Å; V111-L115 VanDerWaalsContact O-N 3.16Å; V112-L115 PolarHBondContact O-N 3Å; I113-L115 VanDerWaalsContact C-N 3.33Å; I113-L115 PolarHBondContact O-N 3.49Å; L115-E118 PolarHBondContact O-N 3.24Å; L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 PolarHBondContact O-N 3.31Å; L115-I204 HydrophobicContact CD2-CG2 3.36Å; L115-R208 HydrophobicContact CD1-CB 3.98Å; L115-R208 HydrophobicContact CD1-CG 3.64Å |
| 116 | T | 79.3 | Confident | 74.4 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.8 | -33.7 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | V112 I113 L120 | V112-T116 HydrophobicContact CG1-CG2 4.48Å; V112-T116 PolarHBondContact O-N 3.13Å; V112-T116 PolarHBondContact O-OG1 2.93Å; I113-T116 PolarHBondContact O-N 2.94Å; I113-T116 PolarHBondContact O-OG1 3.41Å; I113-T116 VanDerWaalsContact O-OG1 3.04Å; T116-L120 WeakPolarHBondContact O-CB 3.49Å; T116-L120 PolarHBondContact O-N 3.35Å |
| 117 | L | 77.6 | Confident | 73.3 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 170.2 | -71.8 | 169.5 | 0 | 0 | 0 | 112 | I113 L114 L120 I121 | I113-L117 HydrophobicContact CG2-CD1 4.03Å; I113-L117 HydrophobicContact CG2-CG 4.48Å; I113-L117 WeakPolarHBondContact O-CB 3.35Å; I113-L117 VanDerWaalsContact O-CG 3.27Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 2.96Å; L114-L117 PolarHBondContact O-N 3.34Å; L117-L120 PolarHBondContact O-N 3.21Å; L117-I121 WeakPolarHBondContact O-CD1 3.33Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.42Å; L117-I121 PolarHBondContact O-N 3.39Å |
| 118 | E | 73.8 | Confident | 72.3 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 16% | 0.159 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.9 | -172.9 | 161.7 | -170.5 | 0 | 0 | 111.8 | L114 L115 I121 D122 H139 S142 | L114-E118 VanDerWaalsContact O-CB 3.32Å; L114-E118 WeakPolarHBondContact O-CB 3.28Å; L114-E118 PolarHBondContact O-N 3.11Å; L115-E118 PolarHBondContact O-N 3.24Å; E118-I121 PolarHBondContact O-N 3.39Å; E118-D122 PolarHBondContact O-N 2.64Å; E118-H139 IonicContact OE1-CE1 3.36Å; E118-H139 PolarHBondContact OE1-CE1 3.1Å; E118-H139 IonicContact OE1-CG 2.67Å; E118-H139 IonicContact OE1-ND1 3.24Å; E118-H139 PolarHBondContact OE1-ND1 3.38Å; E118-S142 PolarHBondContact OE2-OG 3.46Å |
| 119 | L | 74.3 | Confident | 71.2 | Confident | 77 Ų | 77 | 81.9 Ų | 81.9 | 40% | 0.403 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 174.1 | -177 | 63.5 | 0 | 0 | 0 | 112.8 | L115 I121 D122 I123 | L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 PolarHBondContact O-N 3.31Å; L119-I121 VanDerWaalsContact C-N 3.31Å; L119-I121 PolarHBondContact O-N 3.35Å; L119-D122 PolarHBondContact O-N 3.39Å; L119-I123 HydrophobicContact CD1-CD1 4.02Å; L119-I123 HydrophobicContact CD1-CG1 4.41Å; L119-I123 HydrophobicContact CD2-CD1 4.46Å; L119-I123 HydrophobicContact CG-CD1 3.8Å; L119-I123 WeakPolarHBondContact O-CB 3.23Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.11Å |
| 120 | L | 74.8 | Confident | 70.2 | Confident | 64 Ų | 64 | 81 Ų | 81 | 34% | 0.335 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.5 | -32.3 | 178.6 | -176.5 | 65.6 | 0 | 0 | 0 | 112.5 | T116 L117 L125 | T116-L120 WeakPolarHBondContact O-CB 3.49Å; T116-L120 PolarHBondContact O-N 3.35Å; L117-L120 PolarHBondContact O-N 3.21Å; L120-L125 HydrophobicContact CD1-CB 3.8Å; L120-L125 HydrophobicContact CD1-CD1 3.91Å; L120-L125 HydrophobicContact CD1-CD2 4.19Å; L120-L125 HydrophobicContact CD1-CG 4.18Å; L120-L125 HydrophobicContact CG-CB 4.46Å |
| 121 | I | 72.9 | Confident | 69.2 | Low | 40 Ų | 40 | 79 Ų | 79 | 21% | 0.205 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.6 | -43 | 173 | -71.7 | 163.7 | 0 | 0 | 0 | 110.6 | L117 E118 L119 K124 A135 I138 | L117-I121 WeakPolarHBondContact O-CD1 3.33Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.42Å; L117-I121 PolarHBondContact O-N 3.39Å; E118-I121 PolarHBondContact O-N 3.39Å; L119-I121 VanDerWaalsContact C-N 3.31Å; L119-I121 PolarHBondContact O-N 3.35Å; I121-K124 PolarHBondContact O-N 2.7Å; I121-A135 HydrophobicContact CG2-CB 3.52Å; I121-I138 HydrophobicContact CD1-CB 4.15Å; I121-I138 HydrophobicContact CD1-CD1 3.72Å; I121-I138 HydrophobicContact CD1-CG2 3.76Å |
| 122 | D | 68.8 | Low | 68.3 | Low | 58 Ų | 58 | 86.9 Ų | 86.9 | 31% | 0.31 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 179.5 | -165.5 | 46.1 | 0 | 0 | 0 | 112.6 | E118 L119 K124 | E118-D122 PolarHBondContact O-N 2.64Å; L119-D122 PolarHBondContact O-N 3.39Å; D122-K124 PolarHBondContact O-N 2.93Å |
| 123 | I | 70.6 | Confident | 67.7 | Low | 105 Ų | 105 | 90.7 Ų | 90.7 | 54% | 0.538 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 4.7 | 173.5 | -70 | 172 | 0 | 0 | 0 | 113.3 | L119 L125 | L119-I123 HydrophobicContact CD1-CD1 4.02Å; L119-I123 HydrophobicContact CD1-CG1 4.41Å; L119-I123 HydrophobicContact CD2-CD1 4.46Å; L119-I123 HydrophobicContact CG-CD1 3.8Å; L119-I123 WeakPolarHBondContact O-CB 3.23Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.11Å; I123-L125 PolarHBondContact O-N 3.31Å; I123-L125 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 65 | Low | 66.9 | Low | 120 Ų | 120 | 92.4 Ų | 92.4 | 52% | 0.522 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 12.7 | 175.4 | -56.9 | -59.7 | -177.5 | -164.5 | 0 | 115.6 | I121 D122 L126 Q127 | I121-K124 PolarHBondContact O-N 2.7Å; D122-K124 PolarHBondContact O-N 2.93Å; K124-L126 PolarHBondContact O-N 3.37Å; K124-L126 VanDerWaalsContact O-N 3.12Å; K124-Q127 PolarHBondContact O-N 3.49Å |
| 125 | L | 55.9 | Low | 66.6 | Low | 122 Ų | 122 | 92.7 Ų | 92.7 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | trans | -65 | -21.9 | -174.9 | -158 | 141.4 | 0 | 0 | 0 | 112.7 | L120 I123 | L120-L125 HydrophobicContact CD1-CB 3.8Å; L120-L125 HydrophobicContact CD1-CD1 3.91Å; L120-L125 HydrophobicContact CD1-CD2 4.19Å; L120-L125 HydrophobicContact CD1-CG 4.18Å; L120-L125 HydrophobicContact CG-CB 4.46Å; I123-L125 PolarHBondContact O-N 3.31Å; I123-L125 VanDerWaalsContact O-N 3.11Å | ||
| 126 | L | 56.5 | Low | 66.4 | Low | 83 Ų | 83 | 92.7 Ų | 92.7 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -103.7 | 67 | 173 | -69.7 | 168.6 | 0 | 0 | 0 | 112.2 | K124 F128 | K124-L126 PolarHBondContact O-N 3.37Å; K124-L126 VanDerWaalsContact O-N 3.12Å; L126-F128 PolarHBondContact O-N 2.94Å |
| 127 | Q | 55.3 | Low | 66.2 | Low | 172 Ų | 172 | 92.7 Ų | 92.7 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | trans | -69 | 86.9 | 170.9 | -81.8 | -163.2 | -22.2 | 0 | 0 | 112.2 | K124 | K124-Q127 PolarHBondContact O-N 3.49Š| ||
| 128 | F | 54.6 | Low | 66.1 | Low | 154 Ų | 154 | 90.8 Ų | 90.8 | 68% | 0.675 | 48% | 0.479 | S | S | * | . | trans | -117.1 | 150.5 | 164.1 | -80.5 | -83.3 | 0 | 0 | 0 | 111.3 | L126 S130 A131 | L126-F128 PolarHBondContact O-N 2.94Å; F128-S130 PolarHBondContact O-N 3.35Å; F128-A131 WeakPolarHBondContact O-CB 3.49Å; F128-A131 PolarHBondContact O-N 3.49Å | ||
| 129 | S | 56.9 | Low | 66.1 | Low | 138 Ų | 138 | 92.1 Ų | 92.1 | 97% | 0.965 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.7 | -176.1 | -168.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 130 | S | 59.3 | Low | 66.3 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 1.2 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | F128 F132 Q133 F134 | F128-S130 PolarHBondContact O-N 3.35Å; S130-F132 VanDerWaalsContact C-N 3.3Å; S130-F132 PolarHBondContact O-N 3.33Å; S130-F132 VanDerWaalsContact O-N 3.1Å; S130-Q133 PolarHBondContact O-N 3.35Å; S130-Q133 VanDerWaalsContact O-N 3.08Å; S130-F134 PolarHBondContact O-N 3.12Å |
| 131 | A | 61 | Low | 66.5 | Low | 33 Ų | 33 | 95.8 Ų | 95.8 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56 | -34.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F128 F134 A135 | F128-A131 WeakPolarHBondContact O-CB 3.49Å; F128-A131 PolarHBondContact O-N 3.49Å; A131-F134 PolarHBondContact O-N 2.91Å; A131-A135 WeakPolarHBondContact O-CB 3.23Å; A131-A135 PolarHBondContact O-N 3.27Å |
| 132 | F | 60.3 | Low | 66.6 | Low | 178 Ų | 178 | 94 Ų | 94 | 78% | 0.781 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.1 | -39.1 | 178.6 | -96.1 | -79.3 | 0 | 0 | 0 | 113.6 | S130 G136 | S130-F132 VanDerWaalsContact C-N 3.3Å; S130-F132 PolarHBondContact O-N 3.33Å; S130-F132 VanDerWaalsContact O-N 3.1Å; F132-G136 PolarHBondContact O-N 2.94Å; F132-G136 VanDerWaalsContact O-N 3.14Å |
| 133 | Q | 68.3 | Low | 66.9 | Low | 155 Ų | 155 | 92.2 Ų | 92.2 | 72% | 0.724 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.6 | -40.5 | 176.4 | -66.3 | -65.7 | -27.8 | 0 | 0 | 110.5 | S130 G136 V137 | S130-Q133 PolarHBondContact O-N 3.35Å; S130-Q133 VanDerWaalsContact O-N 3.08Å; Q133-G136 PolarHBondContact O-N 2.97Å; Q133-V137 WeakPolarHBondContact O-CG2 3.46Å; Q133-V137 PolarHBondContact O-N 3.17Å |
| 134 | F | 67.6 | Low | 67.3 | Low | 117 Ų | 117 | 91.2 Ų | 91.2 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 177.2 | -169.8 | -119.7 | 0 | 0 | 0 | 112.4 | S130 A131 V137 I138 | S130-F134 PolarHBondContact O-N 3.12Å; A131-F134 PolarHBondContact O-N 2.91Å; F134-V137 PolarHBondContact O-N 3.45Å; F134-I138 HydrophobicContact CD1-CD1 3.77Å; F134-I138 HydrophobicContact CD2-CD1 4.35Å; F134-I138 HydrophobicContact CE1-CD1 3.44Å; F134-I138 VanDerWaalsContact CE1-CD1 3.44Å; F134-I138 HydrophobicContact CE2-CD1 4.06Å; F134-I138 HydrophobicContact CG-CD1 4.23Å; F134-I138 HydrophobicContact CZ-CD1 3.61Å; F134-I138 WeakPolarHBondContact O-CG1 3.42Å; F134-I138 PolarHBondContact O-N 3.2Å |
| 135 | A | 69.4 | Low | 67.7 | Low | 27 Ų | 27 | 88 Ų | 88 | 22% | 0.223 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I121 A131 I138 H139 | I121-A135 HydrophobicContact CG2-CB 3.52Å; A131-A135 WeakPolarHBondContact O-CB 3.23Å; A131-A135 PolarHBondContact O-N 3.27Å; A135-I138 PolarHBondContact O-N 3.42Å; A135-H139 WeakPolarHBondContact O-CB 3.27Å; A135-H139 PolarHBondContact O-N 3.01Å |
| 136 | G | 71.8 | Confident | 68.6 | Low | 31 Ų | 31 | 83.3 Ų | 83.3 | 32% | 0.32 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F132 Q133 I138 H139 W140 | F132-G136 PolarHBondContact O-N 2.94Å; F132-G136 VanDerWaalsContact O-N 3.14Å; Q133-G136 PolarHBondContact O-N 2.97Å; G136-I138 PolarHBondContact O-N 2.88Å; G136-H139 PolarHBondContact O-N 2.88Å; G136-W140 PolarHBondContact O-N 3.06Å |
| 137 | V | 76.8 | Confident | 69.6 | Low | 80 Ų | 80 | 82.2 Ų | 82.2 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 177.1 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | Q133 F134 W140 I141 | Q133-V137 WeakPolarHBondContact O-CG2 3.46Å; Q133-V137 PolarHBondContact O-N 3.17Å; F134-V137 PolarHBondContact O-N 3.45Å; V137-W140 PolarHBondContact O-N 3.36Å; V137-I141 HydrophobicContact CG1-CD1 3.71Å; V137-I141 HydrophobicContact CG1-CG1 4.48Å; V137-I141 WeakPolarHBondContact O-CB 3.38Å; V137-I141 VanDerWaalsContact O-CG1 3.26Å; V137-I141 WeakPolarHBondContact O-CG1 3.43Å; V137-I141 PolarHBondContact O-N 2.98Å |
| 138 | I | 73.4 | Confident | 70.5 | Confident | 41 Ų | 41 | 78 Ų | 78 | 21% | 0.21 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 176.8 | -71.9 | 173.3 | 0 | 0 | 0 | 111.7 | I121 F134 A135 G136 I141 S142 | I121-I138 HydrophobicContact CD1-CB 4.15Å; I121-I138 HydrophobicContact CD1-CD1 3.72Å; I121-I138 HydrophobicContact CD1-CG2 3.76Å; F134-I138 HydrophobicContact CD1-CD1 3.77Å; F134-I138 HydrophobicContact CD2-CD1 4.35Å; F134-I138 HydrophobicContact CE1-CD1 3.44Å; F134-I138 VanDerWaalsContact CE1-CD1 3.44Å; F134-I138 HydrophobicContact CE2-CD1 4.06Å; F134-I138 HydrophobicContact CG-CD1 4.23Å; F134-I138 HydrophobicContact CZ-CD1 3.61Å; F134-I138 WeakPolarHBondContact O-CG1 3.42Å; F134-I138 PolarHBondContact O-N 3.2Å; A135-I138 PolarHBondContact O-N 3.42Å; G136-I138 PolarHBondContact O-N 2.88Å; I138-I141 PolarHBondContact O-N 3.33Å; I138-S142 WeakPolarHBondContact O-CB 3.39Å; I138-S142 PolarHBondContact O-N 3.22Å |
| 139 | H | 74.8 | Confident | 71.3 | Confident | 62 Ų | 62 | 72.3 Ų | 72.3 | 29% | 0.287 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.5 | -178.6 | 78 | 0 | 0 | 0 | 111.4 | E118 A135 G136 I141 S142 L143 | E118-H139 IonicContact OE1-CE1 3.36Å; E118-H139 PolarHBondContact OE1-CE1 3.1Å; E118-H139 IonicContact OE1-CG 2.67Å; E118-H139 IonicContact OE1-ND1 3.24Å; E118-H139 PolarHBondContact OE1-ND1 3.38Å; A135-H139 WeakPolarHBondContact O-CB 3.27Å; A135-H139 PolarHBondContact O-N 3.01Å; G136-H139 PolarHBondContact O-N 2.88Å; H139-I141 PolarHBondContact O-N 2.73Å; H139-S142 WeakPolarHBondContact O-CB 3.31Å; H139-S142 PolarHBondContact O-N 3.13Å; H139-L143 VanDerWaalsContact O-CB 3.28Å; H139-L143 WeakPolarHBondContact O-CB 3.18Å; H139-L143 PolarHBondContact O-N 3.47Å |
| 140 | W | 78.7 | Confident | 72.1 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.5 | -77.7 | 109.3 | 0 | 0 | 0 | 113 | G136 V137 L143 V144 T189 | G136-W140 PolarHBondContact O-N 3.06Å; V137-W140 PolarHBondContact O-N 3.36Å; W140-L143 PolarHBondContact O-N 3.1Å; W140-V144 WeakPolarHBondContact O-CB 3.3Å; W140-V144 VanDerWaalsContact O-CG2 3.28Å; W140-V144 WeakPolarHBondContact O-CG2 3.41Å; W140-V144 PolarHBondContact O-N 2.99Å; W140-T189 HydrophobicContact CZ3-CG2 4.4Å |
| 141 | I | 77.9 | Confident | 72.6 | Confident | 87 Ų | 87 | 67.1 Ų | 67.1 | 45% | 0.446 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 175.2 | -70.9 | 167.1 | 0 | 0 | 0 | 110.9 | V137 I138 H139 V144 I145 | V137-I141 HydrophobicContact CG1-CD1 3.71Å; V137-I141 HydrophobicContact CG1-CG1 4.48Å; V137-I141 WeakPolarHBondContact O-CB 3.38Å; V137-I141 VanDerWaalsContact O-CG1 3.26Å; V137-I141 WeakPolarHBondContact O-CG1 3.43Å; V137-I141 PolarHBondContact O-N 2.98Å; I138-I141 PolarHBondContact O-N 3.33Å; H139-I141 PolarHBondContact O-N 2.73Å; I141-V144 PolarHBondContact O-N 2.95Å; I141-I145 HydrophobicContact CG2-CD1 3.72Å; I141-I145 WeakPolarHBondContact O-CB 3.27Å; I141-I145 VanDerWaalsContact O-CG1 3.26Å; I141-I145 WeakPolarHBondContact O-CG1 3.48Å; I141-I145 PolarHBondContact O-N 2.88Å |
| 142 | S | 75 | Confident | 73.2 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.6 | -54.1 | 173 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | E118 I138 H139 V144 I145 L146 | E118-S142 PolarHBondContact OE2-OG 3.46Å; I138-S142 WeakPolarHBondContact O-CB 3.39Å; I138-S142 PolarHBondContact O-N 3.22Å; H139-S142 WeakPolarHBondContact O-CB 3.31Å; H139-S142 PolarHBondContact O-N 3.13Å; S142-V144 PolarHBondContact O-N 3.41Å; S142-I145 PolarHBondContact O-N 3.13Å; S142-I145 VanDerWaalsContact O-N 3.16Å; S142-L146 WeakPolarHBondContact O-CD1 3.47Å; S142-L146 PolarHBondContact O-N 2.9Å; S142-L146 WeakPolarHBondContact OG-CD1 3.39Å |
| 143 | L | 75.3 | Confident | 73.8 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | -179.3 | -167.1 | 158.2 | 0 | 0 | 0 | 112.8 | H139 W140 L146 S147 T189 | H139-L143 VanDerWaalsContact O-CB 3.28Å; H139-L143 WeakPolarHBondContact O-CB 3.18Å; H139-L143 PolarHBondContact O-N 3.47Å; W140-L143 PolarHBondContact O-N 3.1Å; L143-L146 WeakPolarHBondContact O-CB 3.21Å; L143-L146 PolarHBondContact O-N 2.88Å; L143-S147 WeakPolarHBondContact O-CB 3.47Å; L143-S147 PolarHBondContact O-N 3.03Å; L143-T189 HydrophobicContact CD1-CG2 3.89Å; L143-T189 HydrophobicContact CD2-CG2 3.64Å; L143-T189 HydrophobicContact CG-CG2 4.39Å |
| 144 | V | 78.6 | Confident | 73.9 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.1 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | W140 I141 S142 S147 V148 | W140-V144 WeakPolarHBondContact O-CB 3.3Å; W140-V144 VanDerWaalsContact O-CG2 3.28Å; W140-V144 WeakPolarHBondContact O-CG2 3.41Å; W140-V144 PolarHBondContact O-N 2.99Å; I141-V144 PolarHBondContact O-N 2.95Å; S142-V144 PolarHBondContact O-N 3.41Å; V144-S147 PolarHBondContact O-N 2.7Å; V144-V148 WeakPolarHBondContact O-CG2 3.49Å; V144-V148 PolarHBondContact O-N 3.17Å; V144-V148 VanDerWaalsContact O-N 3.09Å |
| 145 | I | 74.1 | Confident | 74 | Confident | 52 Ų | 52 | 54 Ų | 54 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 177.9 | -68.2 | 168.3 | 0 | 0 | 0 | 111 | L114 I141 S142 S147 V148 F149 | L114-I145 HydrophobicContact CD1-CB 4.23Å; L114-I145 HydrophobicContact CD1-CD1 4.44Å; L114-I145 HydrophobicContact CD1-CG2 3.75Å; I141-I145 HydrophobicContact CG2-CD1 3.72Å; I141-I145 WeakPolarHBondContact O-CB 3.27Å; I141-I145 VanDerWaalsContact O-CG1 3.26Å; I141-I145 WeakPolarHBondContact O-CG1 3.48Å; I141-I145 PolarHBondContact O-N 2.88Å; S142-I145 PolarHBondContact O-N 3.13Å; S142-I145 VanDerWaalsContact O-N 3.16Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 2.86Å; I145-V148 PolarHBondContact O-N 3.07Å; I145-F149 HydrophobicContact CG2-CD2 3.9Å; I145-F149 HydrophobicContact CG2-CE2 3.28Å; I145-F149 HydrophobicContact CG2-CZ 3.94Å; I145-F149 WeakPolarHBondContact O-CD2 3.37Å; I145-F149 PolarHBondContact O-N 3.42Å |
| 146 | L | 75.4 | Confident | 74 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.4 | -47.9 | 170.4 | -93.7 | 97.9 | 0 | 0 | 0 | 112 | S142 L143 F149 F150 M185 R208 | S142-L146 WeakPolarHBondContact O-CD1 3.47Å; S142-L146 PolarHBondContact O-N 2.9Å; S142-L146 WeakPolarHBondContact OG-CD1 3.39Å; L143-L146 WeakPolarHBondContact O-CB 3.21Å; L143-L146 PolarHBondContact O-N 2.88Å; L146-F149 PolarHBondContact O-N 3.21Å; L146-F150 WeakPolarHBondContact O-CB 3.24Å; L146-F150 PolarHBondContact O-N 2.94Å; L146-M185 HydrophobicContact CB-SD 4.46Å; L146-R208 VanDerWaalsContact CG-NH2 3.34Å |
| 147 | S | 76.3 | Confident | 73.8 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | -175.1 | -174 | 0 | 0 | 0 | 0 | 112.1 | L143 V144 I145 F150 S151 | L143-S147 WeakPolarHBondContact O-CB 3.47Å; L143-S147 PolarHBondContact O-N 3.03Å; V144-S147 PolarHBondContact O-N 2.7Å; I145-S147 VanDerWaalsContact C-N 3.33Å; I145-S147 PolarHBondContact O-N 2.86Å; S147-F150 PolarHBondContact O-N 2.76Å; S147-S151 PolarHBondContact O-N 2.76Å |
| 148 | V | 74.8 | Confident | 73.4 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -50 | 174.6 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | V144 I145 F150 S151 E152 | V144-V148 WeakPolarHBondContact O-CG2 3.49Å; V144-V148 PolarHBondContact O-N 3.17Å; V144-V148 VanDerWaalsContact O-N 3.09Å; I145-V148 PolarHBondContact O-N 3.07Å; V148-F150 VanDerWaalsContact C-N 3.33Å; V148-F150 PolarHBondContact O-N 2.96Å; V148-S151 PolarHBondContact O-N 2.96Å; V148-S151 VanDerWaalsContact O-N 3.16Å; V148-S151 PolarHBondContact O-OG 3.29Å; V148-E152 PolarHBondContact O-N 3.41Å |
| 149 | F | 71.1 | Confident | 73 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.6 | -31 | 178 | -60 | -41.1 | 0 | 0 | 0 | 113.6 | F103 C107 L110 V111 I145 L146 T153 | F103-F149 HydrophobicContact CE1-CD1 4.18Å; F103-F149 AromaticContact CE1-CE1 3.93Å; F103-F149 HydrophobicContact CE1-CE1 3.93Å; F103-F149 AromaticContact CZ-CE1 3.89Å; F103-F149 HydrophobicContact CZ-CE1 3.89Å; C107-F149 VanDerWaalsContact SG-CD1 3.58Å; C107-F149 WeakPolarHBondContact SG-CE1 3.48Å; L110-F149 HydrophobicContact CD2-CE2 3.89Å; L110-F149 HydrophobicContact CD2-CZ 3.82Å; V111-F149 HydrophobicContact CG2-CD2 4.43Å; I145-F149 HydrophobicContact CG2-CD2 3.9Å; I145-F149 HydrophobicContact CG2-CE2 3.28Å; I145-F149 HydrophobicContact CG2-CZ 3.94Å; I145-F149 WeakPolarHBondContact O-CD2 3.37Å; I145-F149 PolarHBondContact O-N 3.42Å; L146-F149 PolarHBondContact O-N 3.21Å; F149-T153 WeakPolarHBondContact O-CB 3.49Å; F149-T153 PolarHBondContact O-N 3.1Å; F149-T153 PolarHBondContact O-OG1 3.39Å |
| 150 | F | 74.6 | Confident | 72.4 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 170.7 | 177.2 | -97.2 | 0 | 0 | 0 | 111.3 | L146 S147 V148 E152 T153 V154 L182 M185 | L146-F150 WeakPolarHBondContact O-CB 3.24Å; L146-F150 PolarHBondContact O-N 2.94Å; S147-F150 PolarHBondContact O-N 2.76Å; V148-F150 VanDerWaalsContact C-N 3.33Å; V148-F150 PolarHBondContact O-N 2.96Å; F150-E152 VanDerWaalsContact C-N 3.3Å; F150-E152 PolarHBondContact O-N 3.43Å; F150-T153 PolarHBondContact O-N 3.23Å; F150-T153 VanDerWaalsContact O-N 3.13Å; F150-V154 HydrophobicContact CD1-CG2 4.08Å; F150-V154 HydrophobicContact CD2-CG2 4.34Å; F150-V154 HydrophobicContact CE1-CG2 3.57Å; F150-V154 HydrophobicContact CE2-CG2 3.87Å; F150-V154 HydrophobicContact CG-CG2 4.44Å; F150-V154 HydrophobicContact CZ-CG2 3.45Å; F150-V154 VanDerWaalsContact CZ-CG2 3.45Å; F150-V154 WeakPolarHBondContact O-CG2 3.32Å; F150-V154 PolarHBondContact O-N 3.19Å; F150-L182 HydrophobicContact CE1-CD1 3.79Å; F150-L182 HydrophobicContact CE2-CB 4.36Å; F150-L182 HydrophobicContact CZ-CB 3.92Å; F150-L182 HydrophobicContact CZ-CD1 3.93Å; F150-L182 HydrophobicContact CZ-CG 4.38Å; F150-M185 HydrophobicContact CB-CE 3.68Å; F150-M185 HydrophobicContact CB-SD 3.71Å; F150-M185 HydrophobicContact CD1-CE 3.77Å; F150-M185 HydrophobicContact CD2-CE 3.27Å; F150-M185 HydrophobicContact CD2-SD 4.43Å; F150-M185 HydrophobicContact CE1-CE 4.22Å; F150-M185 HydrophobicContact CE2-CE 3.78Å; F150-M185 HydrophobicContact CG-CE 3.27Å; F150-M185 HydrophobicContact CG-SD 3.98Å; F150-M185 HydrophobicContact CZ-CE 4.22Å |
| 151 | S | 69.8 | Low | 71.6 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 177.8 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | S147 V148 L155 | S147-S151 PolarHBondContact O-N 2.76Å; V148-S151 PolarHBondContact O-N 2.96Å; V148-S151 VanDerWaalsContact O-N 3.16Å; V148-S151 PolarHBondContact O-OG 3.29Å; S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.43Å |
| 152 | E | 73.5 | Confident | 70.7 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 171.9 | -168.8 | -156.9 | 137.2 | 0 | 0 | 111.4 | F103 V148 F150 V154 L155 R156 | F103-E152 WeakPolarHBondContact CE1-OE2 3.34Å; V148-E152 PolarHBondContact O-N 3.41Å; F150-E152 VanDerWaalsContact C-N 3.3Å; F150-E152 PolarHBondContact O-N 3.43Å; E152-V154 VanDerWaalsContact C-N 3.31Å; E152-V154 PolarHBondContact O-N 2.98Å; E152-L155 CarbonylContact O-C 3.6Å; E152-L155 WeakPolarHBondContact O-CB 3.43Å; E152-L155 PolarHBondContact O-N 3.07Å; E152-L155 VanDerWaalsContact O-N 3.11Å; E152-R156 WeakPolarHBondContact O-CG 3.19Å; E152-R156 PolarHBondContact O-N 2.84Å; E152-R156 IonicContact OE1-CZ 2.72Å; E152-R156 VanDerWaalsContact OE1-CZ 3.24Å; E152-R156 IonicContact OE1-NE 3.15Å; E152-R156 PolarHBondContact OE1-NE 3.27Å; E152-R156 IonicContact OE1-NH2 2.84Å; E152-R156 PolarHBondContact OE1-NH2 2.98Å |
| 153 | T | 71.6 | Confident | 69.7 | Low | 29 Ų | 29 | 59.6 Ų | 59.6 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57 | -46 | 179.1 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | F149 F150 R156 I157 | F149-T153 WeakPolarHBondContact O-CB 3.49Å; F149-T153 PolarHBondContact O-N 3.1Å; F149-T153 PolarHBondContact O-OG1 3.39Å; F150-T153 PolarHBondContact O-N 3.23Å; F150-T153 VanDerWaalsContact O-N 3.13Å; T153-R156 WeakPolarHBondContact O-CB 3.45Å; T153-R156 PolarHBondContact O-N 3.23Å; T153-I157 HydrophobicContact CG2-CD1 4.05Å; T153-I157 VanDerWaalsContact O-CD1 3.32Å; T153-I157 WeakPolarHBondContact O-CD1 3.43Å; T153-I157 WeakPolarHBondContact O-CG1 3.39Å; T153-I157 PolarHBondContact O-N 3.27Å; T153-I157 VanDerWaalsContact O-N 3.09Å |
| 154 | V | 71.8 | Confident | 68.9 | Low | 50 Ų | 50 | 63.9 Ų | 63.9 | 30% | 0.303 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | F150 E152 R156 I157 V158 | F150-V154 HydrophobicContact CD1-CG2 4.08Å; F150-V154 HydrophobicContact CD2-CG2 4.34Å; F150-V154 HydrophobicContact CE1-CG2 3.57Å; F150-V154 HydrophobicContact CE2-CG2 3.87Å; F150-V154 HydrophobicContact CG-CG2 4.44Å; F150-V154 HydrophobicContact CZ-CG2 3.45Å; F150-V154 VanDerWaalsContact CZ-CG2 3.45Å; F150-V154 WeakPolarHBondContact O-CG2 3.32Å; F150-V154 PolarHBondContact O-N 3.19Å; E152-V154 VanDerWaalsContact C-N 3.31Å; E152-V154 PolarHBondContact O-N 2.98Å; V154-R156 VanDerWaalsContact C-N 3.27Å; V154-R156 PolarHBondContact O-N 2.95Å; V154-I157 PolarHBondContact O-N 2.88Å; V154-I157 VanDerWaalsContact O-N 3.17Å; V154-V158 HydrophobicContact CG1-CG2 4.16Å; V154-V158 VanDerWaalsContact O-CG2 3.25Å; V154-V158 WeakPolarHBondContact O-CG2 3.28Å; V154-V158 PolarHBondContact O-N 3.02Å |
| 155 | L | 68.4 | Low | 67.9 | Low | 87 Ų | 87 | 61.5 Ų | 61.5 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 174.6 | -177.5 | 63.4 | 0 | 0 | 0 | 111.5 | S151 E152 V158 V159 | S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.43Å; E152-L155 CarbonylContact O-C 3.6Å; E152-L155 WeakPolarHBondContact O-CB 3.43Å; E152-L155 PolarHBondContact O-N 3.07Å; E152-L155 VanDerWaalsContact O-N 3.11Å; L155-V158 PolarHBondContact O-N 2.91Å; L155-V159 HydrophobicContact CD1-CG2 4.11Å; L155-V159 HydrophobicContact CG-CG2 4.46Å; L155-V159 VanDerWaalsContact O-CB 3.28Å; L155-V159 WeakPolarHBondContact O-CB 3.38Å; L155-V159 WeakPolarHBondContact O-CG2 3.37Å; L155-V159 PolarHBondContact O-N 3.41Å |
| 156 | R | 70.3 | Confident | 67.1 | Low | 17 Ų | 17 | 64.6 Ų | 64.6 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.5 | -61.8 | -157.1 | -171.1 | -162.9 | 11.6 | 112.2 | L95 L100 E152 T153 V154 V159 L160 | L95-R156 HydrophobicContact CD1-CB 3.99Å; L95-R156 HydrophobicContact CD1-CG 4.09Å; L95-R156 HydrophobicContact CD2-CG 3.82Å; L100-R156 PolarHBondContact O-NH1 3.43Å; L100-R156 PolarHBondContact O-NH2 3.03Å; E152-R156 WeakPolarHBondContact O-CG 3.19Å; E152-R156 PolarHBondContact O-N 2.84Å; E152-R156 IonicContact OE1-CZ 2.72Å; E152-R156 VanDerWaalsContact OE1-CZ 3.24Å; E152-R156 IonicContact OE1-NE 3.15Å; E152-R156 PolarHBondContact OE1-NE 3.27Å; E152-R156 IonicContact OE1-NH2 2.84Å; E152-R156 PolarHBondContact OE1-NH2 2.98Å; T153-R156 WeakPolarHBondContact O-CB 3.45Å; T153-R156 PolarHBondContact O-N 3.23Å; V154-R156 VanDerWaalsContact C-N 3.27Å; V154-R156 PolarHBondContact O-N 2.95Å; R156-V159 PolarHBondContact O-N 2.93Å; R156-L160 HydrophobicContact CB-CD1 4.46Å; R156-L160 VanDerWaalsContact O-CB 3.3Å; R156-L160 WeakPolarHBondContact O-CB 3.3Å; R156-L160 VanDerWaalsContact O-CG 3.24Å; R156-L160 WeakPolarHBondContact O-CG 3.4Å; R156-L160 PolarHBondContact O-N 3.46Å |
| 157 | I | 67.4 | Low | 66.5 | Low | 37 Ų | 37 | 71.9 Ų | 71.9 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 179.6 | -63.5 | 151.2 | 0 | 0 | 0 | 111.2 | T153 V154 V159 G161 I178 | T153-I157 HydrophobicContact CG2-CD1 4.05Å; T153-I157 VanDerWaalsContact O-CD1 3.32Å; T153-I157 WeakPolarHBondContact O-CD1 3.43Å; T153-I157 WeakPolarHBondContact O-CG1 3.39Å; T153-I157 PolarHBondContact O-N 3.27Å; T153-I157 VanDerWaalsContact O-N 3.09Å; V154-I157 PolarHBondContact O-N 2.88Å; V154-I157 VanDerWaalsContact O-N 3.17Å; I157-V159 VanDerWaalsContact C-N 3.25Å; I157-V159 PolarHBondContact O-N 3.01Å; I157-G161 PolarHBondContact O-N 3.42Å; I157-G161 VanDerWaalsContact O-N 3.12Å; I157-I178 HydrophobicContact CD1-CD1 3.42Å; I157-I178 VanDerWaalsContact CD1-CD1 3.42Å; I157-I178 HydrophobicContact CD1-CG1 3.94Å; I157-I178 HydrophobicContact CD1-CG2 3.89Å; I157-I178 HydrophobicContact CG1-CD1 4.23Å |
| 158 | V | 68 | Low | 65.9 | Low | 78 Ų | 78 | 72.4 Ų | 72.4 | 47% | 0.473 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.6 | V154 L155 I162 | V154-V158 HydrophobicContact CG1-CG2 4.16Å; V154-V158 VanDerWaalsContact O-CG2 3.25Å; V154-V158 WeakPolarHBondContact O-CG2 3.28Å; V154-V158 PolarHBondContact O-N 3.02Å; L155-V158 PolarHBondContact O-N 2.91Å; V158-I162 HydrophobicContact CB-CD1 4.3Å; V158-I162 HydrophobicContact CG1-CD1 4.49Å; V158-I162 HydrophobicContact CG2-CD1 3.91Å |
| 159 | V | 65.8 | Low | 65.6 | Low | 39 Ų | 39 | 77.2 Ų | 77.2 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -83.5 | -37.5 | -176.2 | 166.3 | 0 | 0 | 0 | 0 | 113.3 | W91 L95 L155 R156 I157 G161 | W91-V159 HydrophobicContact CB-CG1 3.54Å; W91-V159 HydrophobicContact CG-CG1 4.23Å; L95-V159 HydrophobicContact CD1-CB 3.79Å; L95-V159 HydrophobicContact CD1-CG1 3.45Å; L95-V159 VanDerWaalsContact CD1-CG1 3.45Å; L95-V159 HydrophobicContact CG-CG1 4.26Å; L155-V159 HydrophobicContact CD1-CG2 4.11Å; L155-V159 HydrophobicContact CG-CG2 4.46Å; L155-V159 VanDerWaalsContact O-CB 3.28Å; L155-V159 WeakPolarHBondContact O-CB 3.38Å; L155-V159 WeakPolarHBondContact O-CG2 3.37Å; L155-V159 PolarHBondContact O-N 3.41Å; R156-V159 PolarHBondContact O-N 2.93Å; I157-V159 VanDerWaalsContact C-N 3.25Å; I157-V159 PolarHBondContact O-N 3.01Å; V159-G161 VanDerWaalsContact C-N 3.26Å; V159-G161 PolarHBondContact O-N 3.25Å |
| 160 | L | 61.8 | Low | 65.1 | Low | 108 Ų | 108 | 81.4 Ų | 81.4 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.1 | -24.6 | 176.4 | -71.3 | 169.3 | 0 | 0 | 0 | 112 | L95 R156 | L95-L160 HydrophobicContact CB-CD2 4.5Å; L95-L160 HydrophobicContact CD1-CD2 4.34Å; L95-L160 HydrophobicContact CD1-CG 3.99Å; R156-L160 HydrophobicContact CB-CD1 4.46Å; R156-L160 VanDerWaalsContact O-CB 3.3Å; R156-L160 WeakPolarHBondContact O-CB 3.3Å; R156-L160 VanDerWaalsContact O-CG 3.24Å; R156-L160 WeakPolarHBondContact O-CG 3.4Å; R156-L160 PolarHBondContact O-N 3.46Å |
| 161 | G | 61.2 | Low | 64.7 | Low | 25 Ų | 25 | 82.3 Ų | 82.3 | 26% | 0.258 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | 126.7 | 103 | 157 | 0 | 0 | 0 | 0 | 0 | 114.1 | I157 V159 W163 Y165 | I157-G161 PolarHBondContact O-N 3.42Å; I157-G161 VanDerWaalsContact O-N 3.12Å; V159-G161 VanDerWaalsContact C-N 3.26Å; V159-G161 PolarHBondContact O-N 3.25Å; G161-W163 PolarHBondContact O-N 3.37Å; G161-W163 VanDerWaalsContact O-N 3.12Å; G161-Y165 WeakPolarHBondContact O-CB 3.42Å |
| 162 | I | 59.4 | Low | 64.6 | Low | 73 Ų | 73 | 82.5 Ų | 82.5 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.2 | 171.9 | -68.1 | 162 | 0 | 0 | 0 | 112.5 | V158 I166 | V158-I162 HydrophobicContact CB-CD1 4.3Å; V158-I162 HydrophobicContact CG1-CD1 4.49Å; V158-I162 HydrophobicContact CG2-CD1 3.91Å; I162-I166 HydrophobicContact CG2-CD1 3.89Å; I162-I166 HydrophobicContact CG2-CG1 4.5Å; I162-I166 WeakPolarHBondContact O-CD1 3.4Å; I162-I166 WeakPolarHBondContact O-CG1 3.5Å |
| 163 | W | 55.4 | Low | 64.2 | Low | 201 Ų | 201 | 86.6 Ų | 86.6 | 76% | 0.761 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -42.5 | -173.7 | -70.6 | 92.8 | 0 | 0 | 0 | 114.2 | G161 Y165 | G161-W163 PolarHBondContact O-N 3.37Å; G161-W163 VanDerWaalsContact O-N 3.12Å; W163-Y165 VanDerWaalsContact C-N 3.34Å |
| 164 | D | 58.2 | Low | 64.2 | Low | 111 Ų | 111 | 85.7 Ų | 85.7 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -64.6 | -43.3 | 167.6 | -83.7 | 5.3 | 0 | 0 | 0 | 110.4 | I166 E167 | D164-I166 PolarHBondContact O-N 2.99Å; D164-E167 PolarHBondContact O-N 3.22Å |
| 165 | Y | 57.1 | Low | 64.2 | Low | 34 Ų | 34 | 84 Ų | 84 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -60.9 | -13.5 | -171.8 | -157.8 | -94.2 | 0 | 0 | 0 | 115.3 | G161 W163 E171 V172 D174 G175 I178 | G161-Y165 WeakPolarHBondContact O-CB 3.42Å; W163-Y165 VanDerWaalsContact C-N 3.34Å; Y165-E171 WeakPolarHBondContact CA-OE2 3.31Å; Y165-E171 HydrophobicContact CD1-CB 4.21Å; Y165-E171 HydrophobicContact CD2-CB 3.61Å; Y165-E171 HydrophobicContact CD2-CG 3.97Å; Y165-E171 HydrophobicContact CE1-CB 4.36Å; Y165-E171 WeakPolarHBondContact CE1-O 3.39Å; Y165-E171 HydrophobicContact CE2-CB 3.78Å; Y165-E171 HydrophobicContact CE2-CG 4.09Å; Y165-E171 HydrophobicContact CG-CB 3.86Å; Y165-E171 PolarHBondContact OH-O 2.85Å; Y165-V172 WeakPolarHBondContact O-CG2 3.26Å; Y165-D174 WeakPolarHBondContact OH-CB 3.31Å; Y165-D174 VanDerWaalsContact OH-CG 3.28Å; Y165-D174 PolarHBondContact OH-OD2 2.85Å; Y165-G175 WeakPolarHBondContact OH-CA 3.45Å; Y165-G175 PolarHBondContact OH-N 2.68Å; Y165-I178 WeakPolarHBondContact OH-CD1 3.44Å |
| 166 | I | 57.7 | Low | 64.3 | Low | 118 Ų | 118 | 82.4 Ų | 82.4 | 61% | 0.605 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -91.7 | -27.3 | 177.6 | -77.4 | 170.1 | 0 | 0 | 0 | 112 | I162 D164 | I162-I166 HydrophobicContact CG2-CD1 3.89Å; I162-I166 HydrophobicContact CG2-CG1 4.5Å; I162-I166 WeakPolarHBondContact O-CD1 3.4Å; I162-I166 WeakPolarHBondContact O-CG1 3.5Å; D164-I166 PolarHBondContact O-N 2.99Å |
| 167 | E | 61.4 | Low | 64.5 | Low | 176 Ų | 176 | 82.4 Ų | 82.4 | 82% | 0.822 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -35.6 | -179.7 | -169.9 | 145.4 | -157 | 0 | 0 | 111.2 | D164 | D164-E167 PolarHBondContact O-N 3.22Š|
| 168 | N | 65.7 | Low | 64.8 | Low | 70 Ų | 70 | 81.4 Ų | 81.4 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | trans | -89 | 114.1 | -177.8 | -155.4 | 4.3 | 0 | 0 | 0 | 113.3 | I170 E171 V172 | N168-I170 PolarHBondContact O-N 2.95Å; N168-I170 VanDerWaalsContact O-N 3.11Å; N168-E171 HydrophobicContact CB-CB 4.37Å; N168-E171 HydrophobicContact CB-CG 4.41Å; N168-E171 PolarHBondContact ND2-OE1 3.42Å; N168-E171 PolarHBondContact O-N 3.47Å; N168-V172 PolarHBondContact O-N 3.46Å | ||
| 169 | K | 67.3 | Low | 64.9 | Low | 185 Ų | 185 | 83.6 Ų | 83.6 | 80% | 0.804 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.8 | -29.9 | -173.7 | -66.1 | -177 | -175.6 | -61.6 | 0 | 114.6 | E171 | K169-E171 VanDerWaalsContact C-N 3.34Å |
| 170 | I | 60.5 | Low | 65.2 | Low | 124 Ų | 124 | 86.1 Ų | 86.1 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.8 | -25.4 | 179 | 53.6 | 168.1 | 0 | 0 | 0 | 112.9 | N168 | N168-I170 PolarHBondContact O-N 2.95Å; N168-I170 VanDerWaalsContact O-N 3.11Å |
| 171 | E | 65.8 | Low | 65.7 | Low | 53 Ų | 53 | 81.4 Ų | 81.4 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -82.6 | -41.6 | -178.7 | -79.5 | 160.6 | -130.9 | 0 | 0 | 111 | Y165 N168 K169 F173 D174 G175 | Y165-E171 WeakPolarHBondContact CA-OE2 3.31Å; Y165-E171 HydrophobicContact CD1-CB 4.21Å; Y165-E171 HydrophobicContact CD2-CB 3.61Å; Y165-E171 HydrophobicContact CD2-CG 3.97Å; Y165-E171 HydrophobicContact CE1-CB 4.36Å; Y165-E171 WeakPolarHBondContact CE1-O 3.39Å; Y165-E171 HydrophobicContact CE2-CB 3.78Å; Y165-E171 HydrophobicContact CE2-CG 4.09Å; Y165-E171 HydrophobicContact CG-CB 3.86Å; Y165-E171 PolarHBondContact OH-O 2.85Å; N168-E171 HydrophobicContact CB-CB 4.37Å; N168-E171 HydrophobicContact CB-CG 4.41Å; N168-E171 PolarHBondContact ND2-OE1 3.42Å; N168-E171 PolarHBondContact O-N 3.47Å; K169-E171 VanDerWaalsContact C-N 3.34Å; E171-F173 PolarHBondContact O-N 3.22Å; E171-F173 VanDerWaalsContact O-N 3.09Å; E171-D174 PolarHBondContact O-N 3.22Å; E171-G175 PolarHBondContact O-N 2.89Å |
| 172 | V | 69 | Low | 66.2 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -51.6 | -34.8 | 169.4 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | Y165 N168 G175 A176 | Y165-V172 WeakPolarHBondContact O-CG2 3.26Å; N168-V172 PolarHBondContact O-N 3.46Å; V172-G175 PolarHBondContact O-N 3.44Å; V172-A176 PolarHBondContact O-N 2.94Å |
| 173 | F | 64.3 | Low | 66.8 | Low | 128 Ų | 128 | 82.4 Ų | 82.4 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.6 | -43.1 | 175.6 | -176.9 | -106.8 | 0 | 0 | 0 | 113.1 | E171 G175 A176 V177 W210 | E171-F173 PolarHBondContact O-N 3.22Å; E171-F173 VanDerWaalsContact O-N 3.09Å; F173-G175 VanDerWaalsContact C-N 3.28Å; F173-G175 PolarHBondContact O-N 2.86Å; F173-A176 WeakPolarHBondContact O-CB 3.36Å; F173-A176 PolarHBondContact O-N 3.32Å; F173-V177 HydrophobicContact CE1-CG2 4.41Å; F173-V177 HydrophobicContact CZ-CG2 4.42Å; F173-V177 PolarHBondContact O-N 2.82Å; F173-V177 VanDerWaalsContact O-N 3.15Å; F173-W210 HydrophobicContact CD1-CH2 4.18Å; F173-W210 AromaticContact CE1-CH2 3.76Å; F173-W210 HydrophobicContact CE1-CH2 3.76Å; F173-W210 HydrophobicContact CE1-CZ3 4.36Å |
| 174 | D | 72.6 | Confident | 67.3 | Low | 11 Ų | 11 | 73.1 Ų | 73.1 | 6% | 0.059 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 170.9 | 174.1 | 53.1 | 0 | 0 | 0 | 111.3 | Y165 E171 A176 V177 I178 W210 R214 | Y165-D174 WeakPolarHBondContact OH-CB 3.31Å; Y165-D174 VanDerWaalsContact OH-CG 3.28Å; Y165-D174 PolarHBondContact OH-OD2 2.85Å; E171-D174 PolarHBondContact O-N 3.22Å; D174-A176 VanDerWaalsContact C-N 3.28Å; D174-A176 PolarHBondContact O-N 3.37Å; D174-V177 CarbonylContact O-C 3.51Å; D174-V177 WeakPolarHBondContact O-CA 3.38Å; D174-V177 PolarHBondContact O-N 2.84Å; D174-I178 WeakPolarHBondContact O-CD1 3.28Å; D174-I178 WeakPolarHBondContact O-CG1 3.38Å; D174-I178 PolarHBondContact O-N 3.21Å; D174-I178 WeakPolarHBondContact OD2-CD1 3.31Å; D174-W210 HydrophobicContact CB-CZ2 4.41Å; D174-W210 PolarHBondContact OD1-NE1 3.31Å; D174-R214 WeakPolarHBondContact OD1-CD 3.27Å; D174-R214 VanDerWaalsContact OD1-CG 3.31Å; D174-R214 WeakPolarHBondContact OD1-CG 3.37Å; D174-R214 IonicContact OD1-NE 2.94Å; D174-R214 PolarHBondContact OD1-NE 2.67Å; D174-R214 IonicContact OD2-CZ 2.7Å; D174-R214 IonicContact OD2-NE 2.68Å; D174-R214 PolarHBondContact OD2-NE 2.84Å; D174-R214 IonicContact OD2-NH2 2.73Å; D174-R214 PolarHBondContact OD2-NH2 3.11Å |
| 175 | G | 71.5 | Confident | 68 | Low | 14 Ų | 14 | 69 Ų | 69 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.4 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y165 E171 V172 F173 V177 I178 I179 | Y165-G175 WeakPolarHBondContact OH-CA 3.45Å; Y165-G175 PolarHBondContact OH-N 2.68Å; E171-G175 PolarHBondContact O-N 2.89Å; V172-G175 PolarHBondContact O-N 3.44Å; F173-G175 VanDerWaalsContact C-N 3.28Å; F173-G175 PolarHBondContact O-N 2.86Å; G175-V177 VanDerWaalsContact C-N 3.33Å; G175-V177 PolarHBondContact O-N 3.47Å; G175-I178 PolarHBondContact O-N 3.22Å; G175-I179 VanDerWaalsContact O-CG1 3.3Å; G175-I179 WeakPolarHBondContact O-CG1 3.15Å; G175-I179 PolarHBondContact O-N 2.98Å |
| 176 | A | 70.8 | Confident | 68.7 | Low | 54 Ų | 54 | 70.6 Ų | 70.6 | 45% | 0.446 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V172 F173 D174 I179 L180 | V172-A176 PolarHBondContact O-N 2.94Å; F173-A176 WeakPolarHBondContact O-CB 3.36Å; F173-A176 PolarHBondContact O-N 3.32Å; D174-A176 VanDerWaalsContact C-N 3.28Å; D174-A176 PolarHBondContact O-N 3.37Å; A176-I179 PolarHBondContact O-N 2.98Å; A176-L180 WeakPolarHBondContact O-CB 3.47Å; A176-L180 PolarHBondContact O-N 3.48Å |
| 177 | V | 73.6 | Confident | 69.3 | Low | 17 Ų | 17 | 67 Ų | 67 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -80.3 | -25.6 | 176.1 | -167.4 | 0 | 0 | 0 | 0 | 112.8 | F173 D174 G175 I179 L180 S181 W210 | F173-V177 HydrophobicContact CE1-CG2 4.41Å; F173-V177 HydrophobicContact CZ-CG2 4.42Å; F173-V177 PolarHBondContact O-N 2.82Å; F173-V177 VanDerWaalsContact O-N 3.15Å; D174-V177 CarbonylContact O-C 3.51Å; D174-V177 WeakPolarHBondContact O-CA 3.38Å; D174-V177 PolarHBondContact O-N 2.84Å; G175-V177 VanDerWaalsContact C-N 3.33Å; G175-V177 PolarHBondContact O-N 3.47Å; V177-I179 VanDerWaalsContact C-N 3.35Å; V177-L180 PolarHBondContact O-N 3.12Å; V177-S181 WeakPolarHBondContact O-CB 3.34Å; V177-S181 PolarHBondContact O-N 2.82Å; V177-W210 HydrophobicContact CB-CD2 3.97Å; V177-W210 HydrophobicContact CB-CG 4.23Å; V177-W210 HydrophobicContact CB-CZ2 3.98Å; V177-W210 HydrophobicContact CG1-CB 4.1Å; V177-W210 VanDerWaalsContact CG1-CD1 3.49Å; V177-W210 HydrophobicContact CG1-CD2 3.45Å; V177-W210 VanDerWaalsContact CG1-CD2 3.45Å; V177-W210 HydrophobicContact CG1-CE3 4.08Å; V177-W210 HydrophobicContact CG1-CG 3.39Å; V177-W210 HydrophobicContact CG1-CZ2 4.4Å; V177-W210 HydrophobicContact CG2-CD2 4.28Å; V177-W210 HydrophobicContact CG2-CE3 4.48Å; V177-W210 HydrophobicContact CG2-CH2 4.11Å; V177-W210 HydrophobicContact CG2-CZ2 3.89Å; V177-W210 HydrophobicContact CG2-CZ3 4.39Å |
| 178 | I | 74.1 | Confident | 69.6 | Low | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 165.8 | -69.4 | 148.4 | 0 | 0 | 0 | 110.2 | I157 Y165 D174 G175 S181 L182 | I157-I178 HydrophobicContact CD1-CD1 3.42Å; I157-I178 VanDerWaalsContact CD1-CD1 3.42Å; I157-I178 HydrophobicContact CD1-CG1 3.94Å; I157-I178 HydrophobicContact CD1-CG2 3.89Å; I157-I178 HydrophobicContact CG1-CD1 4.23Å; Y165-I178 WeakPolarHBondContact OH-CD1 3.44Å; D174-I178 WeakPolarHBondContact O-CD1 3.28Å; D174-I178 WeakPolarHBondContact O-CG1 3.38Å; D174-I178 PolarHBondContact O-N 3.21Å; D174-I178 WeakPolarHBondContact OD2-CD1 3.31Å; G175-I178 PolarHBondContact O-N 3.22Å; I178-S181 WeakPolarHBondContact CA-OG 3.25Å; I178-S181 WeakPolarHBondContact O-CA 3.44Å; I178-S181 WeakPolarHBondContact O-CB 3.45Å; I178-S181 PolarHBondContact O-N 2.93Å; I178-S181 VanDerWaalsContact O-N 3.13Å; I178-S181 PolarHBondContact O-OG 3.45Å; I178-L182 PolarHBondContact O-N 3.49Å |
| 179 | I | 70.8 | Confident | 69.6 | Low | 123 Ų | 123 | 59 Ų | 59 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.2 | -41.7 | 173.6 | -67.4 | 163.1 | 0 | 0 | 0 | 110.8 | G175 A176 V177 S181 L182 | G175-I179 VanDerWaalsContact O-CG1 3.3Å; G175-I179 WeakPolarHBondContact O-CG1 3.15Å; G175-I179 PolarHBondContact O-N 2.98Å; A176-I179 PolarHBondContact O-N 2.98Å; V177-I179 VanDerWaalsContact C-N 3.35Å; I179-S181 PolarHBondContact O-N 3.26Å; I179-L182 VanDerWaalsContact O-CB 3.29Å; I179-L182 WeakPolarHBondContact O-CB 3.24Å; I179-L182 PolarHBondContact O-N 3.12Å |
| 180 | L | 70.6 | Confident | 69.5 | Low | 92 Ų | 92 | 55.6 Ų | 55.6 | 48% | 0.482 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -31.5 | 171.1 | -168.1 | 62.3 | 0 | 0 | 0 | 111.3 | A176 V177 L182 A183 P184 L207 | A176-L180 WeakPolarHBondContact O-CB 3.47Å; A176-L180 PolarHBondContact O-N 3.48Å; V177-L180 PolarHBondContact O-N 3.12Å; L180-L182 VanDerWaalsContact C-N 3.27Å; L180-L182 PolarHBondContact O-N 2.98Å; L180-A183 WeakPolarHBondContact O-CB 3.3Å; L180-A183 PolarHBondContact O-N 3.34Å; L180-A183 VanDerWaalsContact O-N 3.16Å; L180-P184 WeakPolarHBondContact O-CD 3.34Å; L180-L207 HydrophobicContact CB-CD2 4.45Å; L180-L207 HydrophobicContact CG-CD2 4.23Å |
| 181 | S | 73.2 | Confident | 69.4 | Low | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.2 | -18.4 | 175.8 | 81.3 | 0 | 0 | 0 | 0 | 114.8 | V177 I178 I179 M185 L207 R211 | V177-S181 WeakPolarHBondContact O-CB 3.34Å; V177-S181 PolarHBondContact O-N 2.82Å; I178-S181 WeakPolarHBondContact CA-OG 3.25Å; I178-S181 WeakPolarHBondContact O-CA 3.44Å; I178-S181 WeakPolarHBondContact O-CB 3.45Å; I178-S181 PolarHBondContact O-N 2.93Å; I178-S181 VanDerWaalsContact O-N 3.13Å; I178-S181 PolarHBondContact O-OG 3.45Å; I179-S181 PolarHBondContact O-N 3.26Å; S181-M185 WeakPolarHBondContact O-CE 3.42Å; S181-L207 VanDerWaalsContact CA-CD2 3.49Å; S181-R211 PolarHBondContact OG-NH1 2.98Å; S181-R211 PolarHBondContact OG-NH2 3.34Å |
| 182 | L | 70.9 | Confident | 68.8 | Low | 73 Ų | 73 | 56.5 Ų | 56.5 | 38% | 0.382 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.7 | -31.4 | 170.4 | -179.4 | 58.4 | 0 | 0 | 0 | 111.9 | F150 I178 I179 L180 M185 V186 | F150-L182 HydrophobicContact CE1-CD1 3.79Å; F150-L182 HydrophobicContact CE2-CB 4.36Å; F150-L182 HydrophobicContact CZ-CB 3.92Å; F150-L182 HydrophobicContact CZ-CD1 3.93Å; F150-L182 HydrophobicContact CZ-CG 4.38Å; I178-L182 PolarHBondContact O-N 3.49Å; I179-L182 VanDerWaalsContact O-CB 3.29Å; I179-L182 WeakPolarHBondContact O-CB 3.24Å; I179-L182 PolarHBondContact O-N 3.12Å; L180-L182 VanDerWaalsContact C-N 3.27Å; L180-L182 PolarHBondContact O-N 2.98Å; L182-M185 HydrophobicContact CD1-CE 4.3Å; L182-M185 PolarHBondContact O-N 3.39Å; L182-M185 VanDerWaalsContact O-N 3.14Å; L182-V186 HydrophobicContact CD1-CG2 3.81Å; L182-V186 HydrophobicContact CG-CG2 3.83Å; L182-V186 PolarHBondContact O-N 3.49Å; L182-V186 VanDerWaalsContact O-N 3.11Å |
| 183 | A | 71.8 | Confident | 68.6 | Low | 47 Ų | 47 | 55.6 Ų | 55.6 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L180 V186 A187 | L180-A183 WeakPolarHBondContact O-CB 3.3Å; L180-A183 PolarHBondContact O-N 3.34Å; L180-A183 VanDerWaalsContact O-N 3.16Å; A183-V186 PolarHBondContact O-N 2.96Å; A183-A187 WeakPolarHBondContact O-CB 3.06Å; A183-A187 PolarHBondContact O-N 2.83Å |
| 184 | P | 67.3 | Low | 67.7 | Low | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.5 | -29.2 | 176.4 | -28 | 41.8 | 0 | 0 | 0 | 115.1 | L180 V186 A187 S188 L203 I204 L207 | L180-P184 WeakPolarHBondContact O-CD 3.34Å; P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 2.97Å; P184-A187 PolarHBondContact O-N 2.97Å; P184-S188 WeakPolarHBondContact O-CB 3.24Å; P184-S188 PolarHBondContact O-N 3.05Å; P184-S188 PolarHBondContact O-OG 3.35Å; P184-L203 HydrophobicContact CG-CB 3.95Å; P184-L203 HydrophobicContact CG-CD1 4.29Å; P184-L203 HydrophobicContact CG-CD2 3.76Å; P184-L203 HydrophobicContact CG-CG 4.2Å; P184-I204 HydrophobicContact CB-CG1 3.88Å; P184-L207 HydrophobicContact CB-CD1 4.38Å; P184-L207 VanDerWaalsContact CD-CD1 3.48Å; P184-L207 HydrophobicContact CG-CD1 3.48Å; P184-L207 VanDerWaalsContact CG-CD1 3.48Å |
| 185 | M | 71.6 | Confident | 66.9 | Low | 25 Ų | 25 | 64.3 Ų | 64.3 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.1 | -34.3 | 173.8 | -70.5 | 175.8 | -66.7 | 0 | 0 | 111.3 | L146 F150 S181 L182 T189 | L146-M185 HydrophobicContact CB-SD 4.46Å; F150-M185 HydrophobicContact CB-CE 3.68Å; F150-M185 HydrophobicContact CB-SD 3.71Å; F150-M185 HydrophobicContact CD1-CE 3.77Å; F150-M185 HydrophobicContact CD2-CE 3.27Å; F150-M185 HydrophobicContact CD2-SD 4.43Å; F150-M185 HydrophobicContact CE1-CE 4.22Å; F150-M185 HydrophobicContact CE2-CE 3.78Å; F150-M185 HydrophobicContact CG-CE 3.27Å; F150-M185 HydrophobicContact CG-SD 3.98Å; F150-M185 HydrophobicContact CZ-CE 4.22Å; S181-M185 WeakPolarHBondContact O-CE 3.42Å; L182-M185 HydrophobicContact CD1-CE 4.3Å; L182-M185 PolarHBondContact O-N 3.39Å; L182-M185 VanDerWaalsContact O-N 3.14Å; M185-T189 WeakPolarHBondContact O-CG2 3.26Å; M185-T189 PolarHBondContact O-N 2.89Å; M185-T189 PolarHBondContact O-OG1 2.66Å |
| 186 | V | 71.4 | Confident | 66.2 | Low | 66 Ų | 66 | 65.7 Ų | 65.7 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -74 | -40.9 | 171.5 | 179.2 | 0 | 0 | 0 | 0 | 111 | L182 A183 P184 T189 V190 | L182-V186 HydrophobicContact CD1-CG2 3.81Å; L182-V186 HydrophobicContact CG-CG2 3.83Å; L182-V186 PolarHBondContact O-N 3.49Å; L182-V186 VanDerWaalsContact O-N 3.11Å; A183-V186 PolarHBondContact O-N 2.96Å; P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 2.97Å; V186-T189 PolarHBondContact O-N 2.73Å; V186-T189 PolarHBondContact O-OG1 3.49Å; V186-V190 HydrophobicContact CG1-CB 4.49Å; V186-V190 HydrophobicContact CG1-CG2 3.82Å; V186-V190 VanDerWaalsContact O-CB 3.3Å; V186-V190 WeakPolarHBondContact O-CB 3.48Å; V186-V190 WeakPolarHBondContact O-CG2 3.28Å; V186-V190 PolarHBondContact O-N 3.15Å |
| 187 | A | 71.1 | Confident | 65.8 | Low | 42 Ų | 42 | 67 Ų | 67 | 35% | 0.347 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A183 P184 T189 A191 | A183-A187 WeakPolarHBondContact O-CB 3.06Å; A183-A187 PolarHBondContact O-N 2.83Å; P184-A187 PolarHBondContact O-N 2.97Å; A187-T189 PolarHBondContact O-N 2.8Å; A187-A191 WeakPolarHBondContact O-CA 3.45Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 3.44Å |
| 188 | S | 67.8 | Low | 65.2 | Low | 21 Ų | 21 | 74.1 Ų | 74.1 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.9 | -10.3 | 179.9 | -57.7 | 0 | 0 | 0 | 0 | 114.5 | P184 | P184-S188 WeakPolarHBondContact O-CB 3.24Å; P184-S188 PolarHBondContact O-N 3.05Å; P184-S188 PolarHBondContact O-OG 3.35Å |
| 189 | T | 66.1 | Low | 65 | Low | 58 Ų | 58 | 78.6 Ų | 78.6 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -104.6 | -37 | 175.5 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | W140 L143 M185 V186 A187 | W140-T189 HydrophobicContact CZ3-CG2 4.4Å; L143-T189 HydrophobicContact CD1-CG2 3.89Å; L143-T189 HydrophobicContact CD2-CG2 3.64Å; L143-T189 HydrophobicContact CG-CG2 4.39Å; M185-T189 WeakPolarHBondContact O-CG2 3.26Å; M185-T189 PolarHBondContact O-N 2.89Å; M185-T189 PolarHBondContact O-OG1 2.66Å; V186-T189 PolarHBondContact O-N 2.73Å; V186-T189 PolarHBondContact O-OG1 3.49Å; A187-T189 PolarHBondContact O-N 2.8Å |
| 190 | V | 64.7 | Low | 65 | Low | 114 Ų | 114 | 73.5 Ų | 73.5 | 69% | 0.691 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -87.5 | -38 | -178.8 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | V186 | V186-V190 HydrophobicContact CG1-CB 4.49Å; V186-V190 HydrophobicContact CG1-CG2 3.82Å; V186-V190 VanDerWaalsContact O-CB 3.3Å; V186-V190 WeakPolarHBondContact O-CB 3.48Å; V186-V190 WeakPolarHBondContact O-CG2 3.28Å; V186-V190 PolarHBondContact O-N 3.15Å |
| 191 | A | 57.8 | Low | 65.2 | Low | 40 Ų | 40 | 71 Ų | 71 | 33% | 0.331 | 40% | 0.402 | S | S | . | . | trans | -95.4 | 98.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A187 G193 | A187-A191 WeakPolarHBondContact O-CA 3.45Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 3.44Å; A191-G193 PolarHBondContact O-N 3.23Å | ||
| 192 | N | 55.1 | Low | 65.1 | Low | 156 Ų | 156 | 73.6 Ų | 73.6 | 83% | 0.834 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -69 | 46.2 | 161.3 | -76.1 | -75.6 | 0 | 0 | 0 | 111.4 | ||
| 193 | G | 63.5 | Low | 65.2 | Low | 55 Ų | 55 | 72.9 Ų | 72.9 | 57% | 0.567 | 42% | 0.416 | S | S | * | . | trans | 145.9 | 84.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A191 | A191-G193 PolarHBondContact O-N 3.23Š| ||
| 194 | P | 45.5 | Very low | 65.3 | Low | 61 Ų | 61 | 71.6 Ų | 71.6 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | trans | -62.5 | 155.8 | 145.6 | -3.8 | 20.9 | 0 | 0 | 0 | 108.9 | S196 | P194-S196 PolarHBondContact O-N 3.3Å; P194-S196 VanDerWaalsContact O-N 3.09Å | ||
| 195 | R | 56.4 | Low | 65.8 | Low | 262 Ų | 262 | 75.1 Ų | 75.1 | 99% | 0.989 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -69 | -4.3 | 177.4 | -78.4 | -175.1 | 167.8 | 94.3 | -2.3 | 114.3 | ||
| 196 | S | 55.9 | Low | 65.9 | Low | 43 Ų | 43 | 80 Ų | 80 | 30% | 0.301 | 45% | 0.445 | S | S | . | . | trans | -159.7 | 128.5 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 110 | P194 W198 D199 | P194-S196 PolarHBondContact O-N 3.3Å; P194-S196 VanDerWaalsContact O-N 3.09Å; S196-W198 PolarHBondContact O-N 3.37Å; S196-W198 WeakPolarHBondContact OG-CB 3.12Å; S196-W198 VanDerWaalsContact OG-CD1 3.3Å; S196-W198 PolarHBondContact OG-N 3.17Å; S196-D199 PolarHBondContact O-N 3.04Å | ||
| 197 | P | 62.8 | Low | 65.9 | Low | 82 Ų | 82 | 77.7 Ų | 77.7 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 172.5 | -23.6 | 34.3 | 0 | 0 | 0 | 112.7 | D199 A200 I201 | P197-D199 PolarHBondContact O-N 3.49Å; P197-A200 PolarHBondContact O-N 3.36Å; P197-I201 HydrophobicContact CB-CD1 4.24Å; P197-I201 WeakPolarHBondContact O-CG1 3.36Å; P197-I201 PolarHBondContact O-N 2.91Å |
| 198 | W | 60.1 | Low | 66.1 | Low | 165 Ų | 165 | 77.3 Ų | 77.3 | 63% | 0.625 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -57.6 | -32.3 | -176.9 | -58.4 | 90.5 | 0 | 0 | 0 | 113.7 | S196 S202 | S196-W198 PolarHBondContact O-N 3.37Å; S196-W198 WeakPolarHBondContact OG-CB 3.12Å; S196-W198 VanDerWaalsContact OG-CD1 3.3Å; S196-W198 PolarHBondContact OG-N 3.17Å; W198-S202 VanDerWaalsContact O-CB 3.25Å; W198-S202 WeakPolarHBondContact O-CB 3.18Å; W198-S202 PolarHBondContact O-N 3.32Å |
| 199 | D | 70.4 | Confident | 66.6 | Low | 110 Ų | 110 | 81.8 Ų | 81.8 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -71 | -47.2 | 179 | -170 | 43.9 | 0 | 0 | 0 | 111.2 | S196 P197 I201 S202 L203 | S196-D199 PolarHBondContact O-N 3.04Å; P197-D199 PolarHBondContact O-N 3.49Å; D199-I201 PolarHBondContact O-N 3.31Å; D199-S202 PolarHBondContact O-N 3.09Å; D199-L203 PolarHBondContact O-N 3.25Å |
| 200 | A | 72.1 | Confident | 67.2 | Low | 17 Ų | 17 | 81 Ų | 81 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P197 L203 I204 | P197-A200 PolarHBondContact O-N 3.36Å; A200-L203 PolarHBondContact O-N 3Å; A200-I204 WeakPolarHBondContact O-CB 3.48Å; A200-I204 WeakPolarHBondContact O-CD1 3.36Å; A200-I204 WeakPolarHBondContact O-CG1 3.32Å; A200-I204 PolarHBondContact O-N 3.5Å |
| 201 | I | 73.1 | Confident | 67.9 | Low | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.2 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.9 | -67.8 | 165.1 | 0 | 0 | 0 | 110.8 | P197 D199 I204 I205 | P197-I201 HydrophobicContact CB-CD1 4.24Å; P197-I201 WeakPolarHBondContact O-CG1 3.36Å; P197-I201 PolarHBondContact O-N 2.91Å; D199-I201 PolarHBondContact O-N 3.31Å; I201-I204 PolarHBondContact O-N 3.5Å; I201-I205 HydrophobicContact CG2-CD1 4.01Å; I201-I205 VanDerWaalsContact O-CG1 3.31Å; I201-I205 WeakPolarHBondContact O-CG1 3.16Å; I201-I205 PolarHBondContact O-N 3.35Å |
| 202 | S | 72.1 | Confident | 69 | Low | 64 Ų | 64 | 78.9 Ų | 78.9 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | W198 D199 I204 I205 M206 | W198-S202 VanDerWaalsContact O-CB 3.25Å; W198-S202 WeakPolarHBondContact O-CB 3.18Å; W198-S202 PolarHBondContact O-N 3.32Å; D199-S202 PolarHBondContact O-N 3.09Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.14Å; S202-I205 PolarHBondContact O-N 2.82Å; S202-I205 VanDerWaalsContact O-N 3.12Å; S202-M206 PolarHBondContact O-N 3Å |
| 203 | L | 72.4 | Confident | 70.1 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 30% | 0.304 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 179.4 | -130.4 | 170.8 | 0 | 0 | 0 | 111.4 | P184 D199 A200 M206 L207 | P184-L203 HydrophobicContact CG-CB 3.95Å; P184-L203 HydrophobicContact CG-CD1 4.29Å; P184-L203 HydrophobicContact CG-CD2 3.76Å; P184-L203 HydrophobicContact CG-CG 4.2Å; D199-L203 PolarHBondContact O-N 3.25Å; A200-L203 PolarHBondContact O-N 3Å; L203-M206 PolarHBondContact O-N 3.25Å; L203-L207 HydrophobicContact CD2-CD1 4.24Å; L203-L207 HydrophobicContact CD2-CG 4.28Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.42Å; L203-L207 PolarHBondContact O-N 2.84Å |
| 204 | I | 75.1 | Confident | 70.7 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.7 | -52.6 | 170.4 | -69.9 | 163.8 | 0 | 0 | 0 | 109.7 | L115 P184 A200 I201 S202 M206 L207 R208 | L115-I204 HydrophobicContact CD2-CG2 3.36Å; P184-I204 HydrophobicContact CB-CG1 3.88Å; A200-I204 WeakPolarHBondContact O-CB 3.48Å; A200-I204 WeakPolarHBondContact O-CD1 3.36Å; A200-I204 WeakPolarHBondContact O-CG1 3.32Å; A200-I204 PolarHBondContact O-N 3.5Å; I201-I204 PolarHBondContact O-N 3.5Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.14Å; I204-M206 VanDerWaalsContact C-N 3.34Å; I204-M206 PolarHBondContact O-N 3.33Å; I204-L207 PolarHBondContact O-N 3.09Å; I204-R208 HydrophobicContact CG2-CG 4.24Å; I204-R208 WeakPolarHBondContact O-CG 3.34Å; I204-R208 PolarHBondContact O-N 3.08Å |
| 205 | I | 76.1 | Confident | 72.2 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 41% | 0.405 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.4 | -45.7 | -179.5 | -69.3 | 162.8 | 0 | 0 | 0 | 111.8 | I201 S202 L207 R208 I209 | I201-I205 HydrophobicContact CG2-CD1 4.01Å; I201-I205 VanDerWaalsContact O-CG1 3.31Å; I201-I205 WeakPolarHBondContact O-CG1 3.16Å; I201-I205 PolarHBondContact O-N 3.35Å; S202-I205 PolarHBondContact O-N 2.82Å; S202-I205 VanDerWaalsContact O-N 3.12Å; I205-L207 PolarHBondContact O-N 3.22Å; I205-R208 PolarHBondContact O-N 3.4Å; I205-I209 HydrophobicContact CG2-CD1 4.19Å; I205-I209 PolarHBondContact O-N 3.11Å |
| 206 | M | 73.8 | Confident | 73.2 | Confident | 129 Ų | 129 | 66.9 Ų | 66.9 | 64% | 0.635 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.1 | -44.4 | 179.2 | -72.3 | -171.6 | 68.8 | 0 | 0 | 113.2 | S202 L203 I204 R208 I209 W210 | S202-M206 PolarHBondContact O-N 3Å; L203-M206 PolarHBondContact O-N 3.25Å; I204-M206 VanDerWaalsContact C-N 3.34Å; I204-M206 PolarHBondContact O-N 3.33Å; M206-R208 VanDerWaalsContact C-N 3.25Å; M206-R208 PolarHBondContact O-N 3.01Å; M206-I209 PolarHBondContact O-N 2.87Å; M206-W210 PolarHBondContact O-N 2.91Å; M206-W210 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 71.4 | Confident | 73.8 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -26.9 | -179.5 | -65.3 | 169.9 | 0 | 0 | 0 | 113.4 | L180 S181 P184 L203 I204 I205 W210 R211 | L180-L207 HydrophobicContact CB-CD2 4.45Å; L180-L207 HydrophobicContact CG-CD2 4.23Å; S181-L207 VanDerWaalsContact CA-CD2 3.49Å; P184-L207 HydrophobicContact CB-CD1 4.38Å; P184-L207 VanDerWaalsContact CD-CD1 3.48Å; P184-L207 HydrophobicContact CG-CD1 3.48Å; P184-L207 VanDerWaalsContact CG-CD1 3.48Å; L203-L207 HydrophobicContact CD2-CD1 4.24Å; L203-L207 HydrophobicContact CD2-CG 4.28Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.42Å; L203-L207 PolarHBondContact O-N 2.84Å; I204-L207 PolarHBondContact O-N 3.09Å; I205-L207 PolarHBondContact O-N 3.22Å; L207-W210 WeakPolarHBondContact O-CB 3.33Å; L207-W210 PolarHBondContact O-N 3.09Å; L207-R211 PolarHBondContact O-N 2.98Å |
| 208 | R | 76.9 | Confident | 74.2 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.6 | -38.1 | -179 | -59.5 | -75.5 | -134.1 | -175.4 | 16.9 | 109.9 | V111 L115 L146 I204 I205 M206 W210 R211 V212 | V111-R208 VanDerWaalsContact CG1-CD 3.45Å; V111-R208 HydrophobicContact CG1-CG 4.44Å; V111-R208 VanDerWaalsContact CG1-NE 3.34Å; L115-R208 HydrophobicContact CD1-CB 3.98Å; L115-R208 HydrophobicContact CD1-CG 3.64Å; L146-R208 VanDerWaalsContact CG-NH2 3.34Å; I204-R208 HydrophobicContact CG2-CG 4.24Å; I204-R208 WeakPolarHBondContact O-CG 3.34Å; I204-R208 PolarHBondContact O-N 3.08Å; I205-R208 PolarHBondContact O-N 3.4Å; M206-R208 VanDerWaalsContact C-N 3.25Å; M206-R208 PolarHBondContact O-N 3.01Å; R208-W210 VanDerWaalsContact C-N 3.33Å; R208-R211 PolarHBondContact O-N 2.93Å; R208-V212 WeakPolarHBondContact O-CG2 3.42Å; R208-V212 PolarHBondContact O-N 3.5Å; R208-V212 VanDerWaalsContact O-N 3.12Å |
| 209 | I | 77.1 | Confident | 74.8 | Confident | 114 Ų | 114 | 63.2 Ų | 63.2 | 59% | 0.585 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 167.6 | -61.3 | 166.2 | 0 | 0 | 0 | 110.6 | I205 M206 R211 V212 K213 | I205-I209 HydrophobicContact CG2-CD1 4.19Å; I205-I209 PolarHBondContact O-N 3.11Å; M206-I209 PolarHBondContact O-N 2.87Å; I209-R211 PolarHBondContact O-N 3.13Å; I209-V212 PolarHBondContact O-N 2.99Å; I209-K213 PolarHBondContact O-N 3.05Å |
| 210 | W | 78.9 | Confident | 74.9 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 16% | 0.163 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.5 | -172.8 | -96.8 | 0 | 0 | 0 | 113.2 | F173 D174 V177 M206 L207 R208 V212 K213 R214 | F173-W210 HydrophobicContact CD1-CH2 4.18Å; F173-W210 AromaticContact CE1-CH2 3.76Å; F173-W210 HydrophobicContact CE1-CH2 3.76Å; F173-W210 HydrophobicContact CE1-CZ3 4.36Å; D174-W210 HydrophobicContact CB-CZ2 4.41Å; D174-W210 PolarHBondContact OD1-NE1 3.31Å; V177-W210 HydrophobicContact CB-CD2 3.97Å; V177-W210 HydrophobicContact CB-CG 4.23Å; V177-W210 HydrophobicContact CB-CZ2 3.98Å; V177-W210 HydrophobicContact CG1-CB 4.1Å; V177-W210 VanDerWaalsContact CG1-CD1 3.49Å; V177-W210 HydrophobicContact CG1-CD2 3.45Å; V177-W210 VanDerWaalsContact CG1-CD2 3.45Å; V177-W210 HydrophobicContact CG1-CE3 4.08Å; V177-W210 HydrophobicContact CG1-CG 3.39Å; V177-W210 HydrophobicContact CG1-CZ2 4.4Å; V177-W210 HydrophobicContact CG2-CD2 4.28Å; V177-W210 HydrophobicContact CG2-CE3 4.48Å; V177-W210 HydrophobicContact CG2-CH2 4.11Å; V177-W210 HydrophobicContact CG2-CZ2 3.89Å; V177-W210 HydrophobicContact CG2-CZ3 4.39Å; M206-W210 PolarHBondContact O-N 2.91Å; M206-W210 VanDerWaalsContact O-N 3.13Å; L207-W210 WeakPolarHBondContact O-CB 3.33Å; L207-W210 PolarHBondContact O-N 3.09Å; R208-W210 VanDerWaalsContact C-N 3.33Å; W210-V212 VanDerWaalsContact C-N 3.32Å; W210-V212 PolarHBondContact O-N 3.03Å; W210-K213 HydrophobicContact CE3-CD 4.17Å; W210-K213 HydrophobicContact CH2-CD 4.3Å; W210-K213 HydrophobicContact CZ3-CD 3.9Å; W210-K213 WeakPolarHBondContact O-CB 3.35Å; W210-K213 PolarHBondContact O-N 3.33Å; W210-R214 HydrophobicContact CZ2-CG 4.24Å; W210-R214 VanDerWaalsContact NE1-CG 3.35Å; W210-R214 PolarHBondContact O-N 3.05Å |
| 211 | R | 79.3 | Confident | 74.8 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 19% | 0.185 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 175.1 | -76.9 | -71 | -169.4 | -86.1 | -11.1 | 112.1 | S181 L207 R208 I209 R214 V215 | S181-R211 PolarHBondContact OG-NH1 2.98Å; S181-R211 PolarHBondContact OG-NH2 3.34Å; L207-R211 PolarHBondContact O-N 2.98Å; R208-R211 PolarHBondContact O-N 2.93Å; I209-R211 PolarHBondContact O-N 3.13Å; R211-R214 PolarHBondContact O-N 3.38Å; R211-V215 WeakPolarHBondContact O-CG2 3.47Å; R211-V215 PolarHBondContact O-N 2.85Å |
| 212 | V | 80.2 | Confident | 74.5 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 172.6 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | V108 R208 I209 W210 R214 V215 I216 | V108-V212 HydrophobicContact CG1-CG2 3.73Å; R208-V212 WeakPolarHBondContact O-CG2 3.42Å; R208-V212 PolarHBondContact O-N 3.5Å; R208-V212 VanDerWaalsContact O-N 3.12Å; I209-V212 PolarHBondContact O-N 2.99Å; W210-V212 VanDerWaalsContact C-N 3.32Å; W210-V212 PolarHBondContact O-N 3.03Å; V212-R214 VanDerWaalsContact C-N 3.3Å; V212-R214 PolarHBondContact O-N 2.94Å; V212-V215 PolarHBondContact O-N 3.35Å; V212-I216 HydrophobicContact CG1-CD1 4.02Å; V212-I216 WeakPolarHBondContact O-CG1 3.41Å; V212-I216 PolarHBondContact O-N 2.93Å |
| 213 | K | 79.3 | Confident | 74.3 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -52.7 | -47.9 | 175.3 | 164.7 | 167 | 170.3 | 50 | 0 | 111.4 | I209 W210 V215 I216 D217 | I209-K213 PolarHBondContact O-N 3.05Å; W210-K213 HydrophobicContact CE3-CD 4.17Å; W210-K213 HydrophobicContact CH2-CD 4.3Å; W210-K213 HydrophobicContact CZ3-CD 3.9Å; W210-K213 WeakPolarHBondContact O-CB 3.35Å; W210-K213 PolarHBondContact O-N 3.33Å; K213-V215 PolarHBondContact O-N 2.78Å; K213-I216 WeakPolarHBondContact O-CB 3.3Å; K213-I216 PolarHBondContact O-N 2.88Å; K213-I216 VanDerWaalsContact O-N 3.13Å; K213-D217 WeakPolarHBondContact CE-OD2 3.39Å; K213-D217 VanDerWaalsContact CG-OD2 3.25Å; K213-D217 WeakPolarHBondContact CG-OD2 3.5Å; K213-D217 IonicContact NZ-OD1 3.92Å; K213-D217 PolarHBondContact NZ-OD1 3.1Å; K213-D217 IonicContact NZ-OD2 2.71Å; K213-D217 PolarHBondContact NZ-OD2 2.81Å; K213-D217 VanDerWaalsContact O-CG 3.24Å; K213-D217 PolarHBondContact O-N 3.13Å |
| 214 | R | 76.9 | Confident | 74.2 | Confident | 70 Ų | 70 | 70 Ų | 70 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.2 | -29.6 | -177 | -76.9 | -67.4 | -68.8 | 135.6 | -17 | 114.4 | D174 W210 R211 V212 A218 | D174-R214 WeakPolarHBondContact OD1-CD 3.27Å; D174-R214 VanDerWaalsContact OD1-CG 3.31Å; D174-R214 WeakPolarHBondContact OD1-CG 3.37Å; D174-R214 IonicContact OD1-NE 2.94Å; D174-R214 PolarHBondContact OD1-NE 2.67Å; D174-R214 IonicContact OD2-CZ 2.7Å; D174-R214 IonicContact OD2-NE 2.68Å; D174-R214 PolarHBondContact OD2-NE 2.84Å; D174-R214 IonicContact OD2-NH2 2.73Å; D174-R214 PolarHBondContact OD2-NH2 3.11Å; W210-R214 HydrophobicContact CZ2-CG 4.24Å; W210-R214 VanDerWaalsContact NE1-CG 3.35Å; W210-R214 PolarHBondContact O-N 3.05Å; R211-R214 PolarHBondContact O-N 3.38Å; V212-R214 VanDerWaalsContact C-N 3.3Å; V212-R214 PolarHBondContact O-N 2.94Å; R214-A218 WeakPolarHBondContact O-CB 3.16Å; R214-A218 PolarHBondContact O-N 2.75Å |
| 215 | V | 75.3 | Confident | 73.9 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 168.6 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | V105 V108 R211 V212 K213 A218 Y219 | V105-V215 HydrophobicContact CG2-CG1 4.37Å; V108-V215 HydrophobicContact CG2-CG2 4.27Å; R211-V215 WeakPolarHBondContact O-CG2 3.47Å; R211-V215 PolarHBondContact O-N 2.85Å; V212-V215 PolarHBondContact O-N 3.35Å; K213-V215 PolarHBondContact O-N 2.78Å; V215-A218 PolarHBondContact O-N 3.27Å; V215-Y219 HydrophobicContact CG1-CD2 3.82Å; V215-Y219 HydrophobicContact CG1-CE2 3.59Å; V215-Y219 WeakPolarHBondContact O-CD2 3.29Å; V215-Y219 PolarHBondContact O-N 2.98Å; V215-Y219 VanDerWaalsContact O-N 3.08Å |
| 216 | I | 77.7 | Confident | 73.7 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.4 | -50.6 | 174.9 | -63.3 | 164.3 | 0 | 0 | 0 | 110.7 | V212 K213 A218 Y219 V220 | V212-I216 HydrophobicContact CG1-CD1 4.02Å; V212-I216 WeakPolarHBondContact O-CG1 3.41Å; V212-I216 PolarHBondContact O-N 2.93Å; K213-I216 WeakPolarHBondContact O-CB 3.3Å; K213-I216 PolarHBondContact O-N 2.88Å; K213-I216 VanDerWaalsContact O-N 3.13Å; I216-A218 PolarHBondContact O-N 2.79Å; I216-Y219 PolarHBondContact O-N 2.94Å; I216-Y219 VanDerWaalsContact O-N 3.1Å; I216-V220 HydrophobicContact CG2-CG2 4.1Å; I216-V220 WeakPolarHBondContact O-CB 3.15Å; I216-V220 WeakPolarHBondContact O-CG2 3.37Å; I216-V220 PolarHBondContact O-N 3.27Å |
| 217 | D | 69.4 | Low | 73.2 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.6 | -38.2 | 178 | -60.8 | -36.6 | 0 | 0 | 0 | 111.5 | K213 V220 L221 | K213-D217 WeakPolarHBondContact CE-OD2 3.39Å; K213-D217 VanDerWaalsContact CG-OD2 3.25Å; K213-D217 WeakPolarHBondContact CG-OD2 3.5Å; K213-D217 IonicContact NZ-OD1 3.92Å; K213-D217 PolarHBondContact NZ-OD1 3.1Å; K213-D217 IonicContact NZ-OD2 2.71Å; K213-D217 PolarHBondContact NZ-OD2 2.81Å; K213-D217 VanDerWaalsContact O-CG 3.24Å; K213-D217 PolarHBondContact O-N 3.13Å; D217-V220 PolarHBondContact O-N 2.94Å; D217-L221 VanDerWaalsContact O-CB 3.26Å; D217-L221 WeakPolarHBondContact O-CB 3.47Å; D217-L221 PolarHBondContact O-N 3.08Å |
| 218 | A | 71 | Confident | 73.2 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 45% | 0.446 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -74.5 | -19.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R214 V215 I216 P222 | R214-A218 WeakPolarHBondContact O-CB 3.16Å; R214-A218 PolarHBondContact O-N 2.75Å; V215-A218 PolarHBondContact O-N 3.27Å; I216-A218 PolarHBondContact O-N 2.79Å; A218-P222 WeakPolarHBondContact O-CD 3.44Å; A218-P222 WeakPolarHBondContact O-CG 3.23Å |
| 219 | Y | 72.5 | Confident | 73 | Confident | 111 Ų | 111 | 83.2 Ų | 83.2 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -86.9 | -36.5 | 167.8 | -79.4 | -64.2 | 0 | 0 | 0 | 112.2 | V105 V215 I216 V223 | V105-Y219 HydrophobicContact CG2-CE2 4.05Å; V215-Y219 HydrophobicContact CG1-CD2 3.82Å; V215-Y219 HydrophobicContact CG1-CE2 3.59Å; V215-Y219 WeakPolarHBondContact O-CD2 3.29Å; V215-Y219 PolarHBondContact O-N 2.98Å; V215-Y219 VanDerWaalsContact O-N 3.08Å; I216-Y219 PolarHBondContact O-N 2.94Å; I216-Y219 VanDerWaalsContact O-N 3.1Å; Y219-V223 WeakPolarHBondContact O-CG2 3.42Å |
| 220 | V | 73 | Confident | 73 | Confident | 66 Ų | 66 | 82.2 Ų | 82.2 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.5 | -35.7 | -177.7 | 171.3 | 0 | 0 | 0 | 0 | 112 | I216 D217 K224 | I216-V220 HydrophobicContact CG2-CG2 4.1Å; I216-V220 WeakPolarHBondContact O-CB 3.15Å; I216-V220 WeakPolarHBondContact O-CG2 3.37Å; I216-V220 PolarHBondContact O-N 3.27Å; D217-V220 PolarHBondContact O-N 2.94Å; V220-K224 HydrophobicContact CG1-CD 3.99Å; V220-K224 HydrophobicContact CG1-CG 4.24Å; V220-K224 WeakPolarHBondContact O-CB 3.47Å; V220-K224 WeakPolarHBondContact O-CG 3.33Å; V220-K224 PolarHBondContact O-N 3.28Å |
| 221 | L | 70.3 | Confident | 73 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.5 | -48 | -177.1 | -172.4 | 70 | 0 | 0 | 0 | 113.2 | D217 V223 K224 L225 | D217-L221 VanDerWaalsContact O-CB 3.26Å; D217-L221 WeakPolarHBondContact O-CB 3.47Å; D217-L221 PolarHBondContact O-N 3.08Å; L221-V223 PolarHBondContact O-N 2.9Å; L221-K224 PolarHBondContact O-N 2.93Å; L221-L225 HydrophobicContact CG-CD1 4.24Å; L221-L225 WeakPolarHBondContact O-CG 3.29Å; L221-L225 PolarHBondContact O-N 3.45Å; L221-L225 VanDerWaalsContact O-N 3.09Å |
| 222 | P | 65.9 | Low | 72.5 | Confident | 54 Ų | 54 | 87 Ų | 87 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.4 | -22.9 | 34.9 | 0 | 0 | 0 | 112.6 | A218 K224 L225 E226 | A218-P222 WeakPolarHBondContact O-CD 3.44Å; A218-P222 WeakPolarHBondContact O-CG 3.23Å; P222-K224 VanDerWaalsContact C-N 3.28Å; P222-K224 PolarHBondContact O-N 2.89Å; P222-L225 PolarHBondContact O-N 2.97Å; P222-L225 VanDerWaalsContact O-N 3.14Å; P222-E226 WeakPolarHBondContact O-CB 3.49Å; P222-E226 WeakPolarHBondContact O-CG 3.41Å; P222-E226 PolarHBondContact O-N 3.45Å |
| 223 | V | 67.8 | Low | 72 | Confident | 94 Ų | 94 | 90 Ų | 90 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.2 | -35.9 | 179.6 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | Y219 L221 M227 | Y219-V223 WeakPolarHBondContact O-CG2 3.42Å; L221-V223 PolarHBondContact O-N 2.9Å; V223-M227 VanDerWaalsContact O-CB 3.24Å; V223-M227 WeakPolarHBondContact O-CB 3.5Å; V223-M227 PolarHBondContact O-N 2.97Å |
| 224 | K | 70.2 | Confident | 71.6 | Confident | 116 Ų | 116 | 94 Ų | 94 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 172.4 | -78.2 | -176.4 | 173.7 | -167.6 | 0 | 112.5 | V220 L221 P222 E226 M227 E228 | V220-K224 HydrophobicContact CG1-CD 3.99Å; V220-K224 HydrophobicContact CG1-CG 4.24Å; V220-K224 WeakPolarHBondContact O-CB 3.47Å; V220-K224 WeakPolarHBondContact O-CG 3.33Å; V220-K224 PolarHBondContact O-N 3.28Å; L221-K224 PolarHBondContact O-N 2.93Å; P222-K224 VanDerWaalsContact C-N 3.28Å; P222-K224 PolarHBondContact O-N 2.89Å; K224-E226 PolarHBondContact O-N 3.36Å; K224-M227 WeakPolarHBondContact O-CB 3.42Å; K224-M227 PolarHBondContact O-N 3.34Å; K224-E228 WeakPolarHBondContact O-CB 3.31Å; K224-E228 VanDerWaalsContact O-CG 3.28Å; K224-E228 WeakPolarHBondContact O-CG 3.2Å; K224-E228 PolarHBondContact O-N 3.43Å |
| 225 | L | 69.6 | Low | 72 | Confident | 97 Ų | 97 | 96.6 Ų | 96.6 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 179.7 | -66.9 | 169.6 | 0 | 0 | 0 | 112.2 | L221 P222 M229 | L221-L225 HydrophobicContact CG-CD1 4.24Å; L221-L225 WeakPolarHBondContact O-CG 3.29Å; L221-L225 PolarHBondContact O-N 3.45Å; L221-L225 VanDerWaalsContact O-N 3.09Å; P222-L225 PolarHBondContact O-N 2.97Å; P222-L225 VanDerWaalsContact O-N 3.14Å; L225-M229 VanDerWaalsContact O-CB 3.26Å; L225-M229 WeakPolarHBondContact O-CB 3.49Å; L225-M229 PolarHBondContact O-N 2.93Å |
| 226 | E | 71.1 | Confident | 72.1 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 171.3 | -73.2 | 175.3 | -176.5 | 0 | 0 | 111.4 | P222 K224 M229 V230 | P222-E226 WeakPolarHBondContact O-CB 3.49Å; P222-E226 WeakPolarHBondContact O-CG 3.41Å; P222-E226 PolarHBondContact O-N 3.45Å; K224-E226 PolarHBondContact O-N 3.36Å; E226-M229 PolarHBondContact O-N 2.78Å; E226-V230 WeakPolarHBondContact O-CB 3.43Å; E226-V230 VanDerWaalsContact O-CG2 3.31Å; E226-V230 WeakPolarHBondContact O-CG2 3.34Å; E226-V230 PolarHBondContact O-N 3.05Å |
| 227 | M | 62.8 | Low | 72.3 | Confident | 121 Ų | 121 | 97.6 Ų | 97.6 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -47.5 | 175.6 | -174.1 | 82 | 172.9 | 0 | 0 | 112 | V223 K224 M229 V230 I231 | V223-M227 VanDerWaalsContact O-CB 3.24Å; V223-M227 WeakPolarHBondContact O-CB 3.5Å; V223-M227 PolarHBondContact O-N 2.97Å; K224-M227 WeakPolarHBondContact O-CB 3.42Å; K224-M227 PolarHBondContact O-N 3.34Å; M227-M229 PolarHBondContact O-N 2.77Å; M227-V230 PolarHBondContact O-N 3.31Å; M227-I231 HydrophobicContact CE-CD1 4.38Å; M227-I231 HydrophobicContact CG-CD1 3.99Å; M227-I231 VanDerWaalsContact O-CG1 3.27Å; M227-I231 WeakPolarHBondContact O-CG1 3.39Å; M227-I231 PolarHBondContact O-N 2.9Å |
| 228 | E | 72.9 | Confident | 72.8 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 179.1 | -74 | 164.5 | -161.3 | 0 | 0 | 111.5 | K224 I231 Q232 | K224-E228 WeakPolarHBondContact O-CB 3.31Å; K224-E228 VanDerWaalsContact O-CG 3.28Å; K224-E228 WeakPolarHBondContact O-CG 3.2Å; K224-E228 PolarHBondContact O-N 3.43Å; E228-I231 PolarHBondContact O-N 3.38Å; E228-Q232 PolarHBondContact O-N 2.9Å |
| 229 | M | 72.2 | Confident | 73.4 | Confident | 112 Ų | 112 | 101.5 Ų | 101.5 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 173 | 175.8 | 167.9 | 45.4 | 0 | 0 | 112.4 | L225 E226 M227 I231 Q232 Q233 | L225-M229 VanDerWaalsContact O-CB 3.26Å; L225-M229 WeakPolarHBondContact O-CB 3.49Å; L225-M229 PolarHBondContact O-N 2.93Å; E226-M229 PolarHBondContact O-N 2.78Å; M227-M229 PolarHBondContact O-N 2.77Å; M229-I231 VanDerWaalsContact C-N 3.34Å; M229-Q232 PolarHBondContact O-N 3.31Å; M229-Q233 VanDerWaalsContact O-CG 3.32Å; M229-Q233 WeakPolarHBondContact O-CG 3.38Å; M229-Q233 PolarHBondContact O-N 3.49Å |
| 230 | V | 77.8 | Confident | 74 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 175.5 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | E226 M227 Q233 Y234 | E226-V230 WeakPolarHBondContact O-CB 3.43Å; E226-V230 VanDerWaalsContact O-CG2 3.31Å; E226-V230 WeakPolarHBondContact O-CG2 3.34Å; E226-V230 PolarHBondContact O-N 3.05Å; M227-V230 PolarHBondContact O-N 3.31Å; V230-Q233 PolarHBondContact O-N 3.22Å; V230-Y234 PolarHBondContact O-N 2.98Å |
| 231 | I | 78.8 | Confident | 73.8 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 174.2 | -70.1 | 163.1 | 0 | 0 | 0 | 110.8 | M227 E228 M229 Q233 Y234 E235 | M227-I231 HydrophobicContact CE-CD1 4.38Å; M227-I231 HydrophobicContact CG-CD1 3.99Å; M227-I231 VanDerWaalsContact O-CG1 3.27Å; M227-I231 WeakPolarHBondContact O-CG1 3.39Å; M227-I231 PolarHBondContact O-N 2.9Å; E228-I231 PolarHBondContact O-N 3.38Å; M229-I231 VanDerWaalsContact C-N 3.34Å; I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 PolarHBondContact O-N 2.7Å; I231-Y234 PolarHBondContact O-N 3.49Å; I231-E235 WeakPolarHBondContact O-CB 3.25Å; I231-E235 PolarHBondContact O-N 3.26Å |
| 232 | Q | 69.1 | Low | 74.4 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 175.4 | -77.5 | -166.4 | -10 | 0 | 0 | 113.2 | E228 M229 E235 K236 | E228-Q232 PolarHBondContact O-N 2.9Å; M229-Q232 PolarHBondContact O-N 3.31Å; Q232-E235 PolarHBondContact O-N 3.35Å; Q232-K236 WeakPolarHBondContact O-CB 3.37Å; Q232-K236 VanDerWaalsContact O-CG 3.3Å; Q232-K236 WeakPolarHBondContact O-CG 3.44Å; Q232-K236 PolarHBondContact O-N 3.16Å |
| 233 | Q | 69.1 | Low | 75.4 | Confident | 122 Ų | 122 | 104.4 Ų | 104.4 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 175 | -70.3 | -68.8 | -15.5 | 0 | 0 | 111.3 | M229 V230 I231 A237 | M229-Q233 VanDerWaalsContact O-CG 3.32Å; M229-Q233 WeakPolarHBondContact O-CG 3.38Å; M229-Q233 PolarHBondContact O-N 3.49Å; V230-Q233 PolarHBondContact O-N 3.22Å; I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 PolarHBondContact O-N 2.7Å; Q233-A237 WeakPolarHBondContact O-CB 3.47Å; Q233-A237 PolarHBondContact O-N 3.09Å |
| 234 | Y | 71.5 | Confident | 75.6 | Confident | 174 Ų | 174 | 105 Ų | 105 | 68% | 0.682 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 175.3 | -173.3 | -96.6 | 0 | 0 | 0 | 112.4 | V230 I231 A237 K238 | V230-Y234 PolarHBondContact O-N 2.98Å; I231-Y234 PolarHBondContact O-N 3.49Å; Y234-A237 PolarHBondContact O-N 3.4Å; Y234-K238 WeakPolarHBondContact O-CB 3.18Å; Y234-K238 PolarHBondContact O-N 3.17Å |
| 235 | E | 83.3 | Confident | 75.8 | Confident | 123 Ų | 123 | 104.4 Ų | 104.4 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -46 | 176.7 | -174.3 | 170.3 | -146.6 | 0 | 0 | 111.7 | I231 Q232 A237 K238 V239 | I231-E235 WeakPolarHBondContact O-CB 3.25Å; I231-E235 PolarHBondContact O-N 3.26Å; Q232-E235 PolarHBondContact O-N 3.35Å; E235-A237 PolarHBondContact O-N 3.18Å; E235-K238 WeakPolarHBondContact O-CB 3.36Å; E235-K238 PolarHBondContact O-N 2.79Å; E235-V239 WeakPolarHBondContact O-CG2 3.45Å; E235-V239 PolarHBondContact O-N 3.46Å |
| 236 | K | 78.8 | Confident | 76.7 | Confident | 90 Ų | 90 | 106.5 Ų | 106.5 | 39% | 0.391 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.1 | -73.8 | 176.4 | 178.4 | -175.3 | 0 | 111.9 | Q232 V239 I240 | Q232-K236 WeakPolarHBondContact O-CB 3.37Å; Q232-K236 VanDerWaalsContact O-CG 3.3Å; Q232-K236 WeakPolarHBondContact O-CG 3.44Å; Q232-K236 PolarHBondContact O-N 3.16Å; K236-V239 PolarHBondContact O-N 3.08Å; K236-I240 WeakPolarHBondContact O-CG1 3.19Å; K236-I240 PolarHBondContact O-N 2.73Å |
| 237 | A | 81 | Confident | 77.2 | Confident | 56 Ų | 56 | 106.2 Ų | 106.2 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q233 Y234 E235 I240 Q241 | Q233-A237 WeakPolarHBondContact O-CB 3.47Å; Q233-A237 PolarHBondContact O-N 3.09Å; Y234-A237 PolarHBondContact O-N 3.4Å; E235-A237 PolarHBondContact O-N 3.18Å; A237-I240 PolarHBondContact O-N 3.35Å; A237-Q241 PolarHBondContact O-N 3.11Å |
| 238 | K | 80.5 | Confident | 78.3 | Confident | 106 Ų | 106 | 106 Ų | 106 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 175.9 | -172.1 | -173.5 | 176.4 | -70.4 | 0 | 111.9 | Y234 E235 I240 Q241 D242 | Y234-K238 WeakPolarHBondContact O-CB 3.18Å; Y234-K238 PolarHBondContact O-N 3.17Å; E235-K238 WeakPolarHBondContact O-CB 3.36Å; E235-K238 PolarHBondContact O-N 2.79Å; K238-I240 VanDerWaalsContact C-N 3.31Å; K238-I240 PolarHBondContact O-N 2.6Å; K238-Q241 WeakPolarHBondContact O-CB 3.48Å; K238-Q241 PolarHBondContact O-N 2.89Å; K238-Q241 VanDerWaalsContact O-N 3.1Å; K238-D242 IonicContact NZ-OD2 2.98Å; K238-D242 PolarHBondContact NZ-OD2 2.91Å; K238-D242 PolarHBondContact O-N 3.38Å |
| 239 | V | 84.3 | Confident | 78.9 | Confident | 78 Ų | 78 | 104 Ų | 104 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | E235 K236 Q241 D242 E243 | E235-V239 WeakPolarHBondContact O-CG2 3.45Å; E235-V239 PolarHBondContact O-N 3.46Å; K236-V239 PolarHBondContact O-N 3.08Å; V239-Q241 VanDerWaalsContact C-N 3.33Å; V239-Q241 PolarHBondContact O-N 2.9Å; V239-D242 PolarHBondContact O-N 3.3Å; V239-E243 WeakPolarHBondContact O-CG 3.09Å; V239-E243 PolarHBondContact O-N 2.89Å |
| 240 | I | 84.6 | Confident | 79.5 | Confident | 102 Ų | 102 | 105 Ų | 105 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.4 | -64.9 | 164.8 | 0 | 0 | 0 | 111.1 | K236 A237 K238 Q244 | K236-I240 WeakPolarHBondContact O-CG1 3.19Å; K236-I240 PolarHBondContact O-N 2.73Å; A237-I240 PolarHBondContact O-N 3.35Å; K238-I240 VanDerWaalsContact C-N 3.31Å; K238-I240 PolarHBondContact O-N 2.6Å; I240-Q244 WeakPolarHBondContact O-CG 3.39Å; I240-Q244 PolarHBondContact O-N 3.23Å; I240-Q244 VanDerWaalsContact O-N 3.13Å |
| 241 | Q | 68.9 | Low | 80.1 | Confident | 141 Ų | 141 | 105 Ų | 105 | 66% | 0.659 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 176.9 | -178.4 | 175.8 | -14.4 | 0 | 0 | 112.4 | A237 K238 V239 Q244 L245 | A237-Q241 PolarHBondContact O-N 3.11Å; K238-Q241 WeakPolarHBondContact O-CB 3.48Å; K238-Q241 PolarHBondContact O-N 2.89Å; K238-Q241 VanDerWaalsContact O-N 3.1Å; V239-Q241 VanDerWaalsContact C-N 3.33Å; V239-Q241 PolarHBondContact O-N 2.9Å; Q241-Q244 PolarHBondContact O-N 2.84Å; Q241-L245 PolarHBondContact O-N 3.47Å |
| 242 | D | 82.3 | Confident | 80.2 | Confident | 68 Ų | 68 | 105 Ų | 105 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.7 | -71.5 | -27 | 0 | 0 | 0 | 110.7 | K238 V239 Q244 L245 E246 | K238-D242 IonicContact NZ-OD2 2.98Å; K238-D242 PolarHBondContact NZ-OD2 2.91Å; K238-D242 PolarHBondContact O-N 3.38Å; V239-D242 PolarHBondContact O-N 3.3Å; D242-Q244 PolarHBondContact O-N 3.13Å; D242-L245 WeakPolarHBondContact O-CB 3.42Å; D242-L245 PolarHBondContact O-N 3.06Å; D242-E246 PolarHBondContact O-N 3.02Å |
| 243 | E | 87.4 | Confident | 80.8 | Confident | 80 Ų | 80 | 106.7 Ų | 106.7 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 172.3 | -69.8 | -173.3 | -179 | 0 | 0 | 113.2 | V239 L245 E246 R247 | V239-E243 WeakPolarHBondContact O-CG 3.09Å; V239-E243 PolarHBondContact O-N 2.89Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-E246 PolarHBondContact O-N 3.33Å; E243-R247 VanDerWaalsContact CB-NH1 3.34Å; E243-R247 WeakPolarHBondContact O-CB 3.41Å; E243-R247 VanDerWaalsContact O-CG 3.24Å; E243-R247 WeakPolarHBondContact O-CG 3.3Å; E243-R247 PolarHBondContact O-N 3.05Å; E243-R247 IonicContact OE2-CZ 3.55Å; E243-R247 IonicContact OE2-NH1 2.79Å; E243-R247 PolarHBondContact OE2-NH1 3.43Å; E243-R247 IonicContact OE2-NH2 3.79Å; E243-R247 PolarHBondContact OE2-NH2 3.13Å |
| 244 | Q | 71.8 | Confident | 81.6 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.5 | -67 | -54.1 | -47 | 0 | 0 | 111.2 | I240 Q241 D242 R247 L248 | I240-Q244 WeakPolarHBondContact O-CG 3.39Å; I240-Q244 PolarHBondContact O-N 3.23Å; I240-Q244 VanDerWaalsContact O-N 3.13Å; Q241-Q244 PolarHBondContact O-N 2.84Å; D242-Q244 PolarHBondContact O-N 3.13Å; Q244-R247 VanDerWaalsContact NE2-NH1 3.11Å; Q244-L248 VanDerWaalsContact O-CB 3.31Å; Q244-L248 WeakPolarHBondContact O-CB 3.37Å; Q244-L248 PolarHBondContact O-N 2.82Å |
| 245 | L | 75.2 | Confident | 82 | Confident | 103 Ų | 103 | 102.5 Ų | 102.5 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.5 | -176.5 | 62.4 | 0 | 0 | 0 | 111.8 | Q241 D242 E243 T249 | Q241-L245 PolarHBondContact O-N 3.47Å; D242-L245 WeakPolarHBondContact O-CB 3.42Å; D242-L245 PolarHBondContact O-N 3.06Å; E243-L245 VanDerWaalsContact C-N 3.33Å; L245-T249 VanDerWaalsContact O-CB 3.27Å; L245-T249 WeakPolarHBondContact O-CB 3.35Å; L245-T249 PolarHBondContact O-N 3.46Å; L245-T249 PolarHBondContact O-OG1 3.24Å |
| 246 | E | 86.5 | Confident | 81.7 | Confident | 142 Ų | 142 | 97.5 Ų | 97.5 | 66% | 0.664 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -46.6 | 175.5 | -172.9 | 168.7 | -140.7 | 0 | 0 | 111.6 | D242 E243 L248 T249 Q250 | D242-E246 PolarHBondContact O-N 3.02Å; E243-E246 PolarHBondContact O-N 3.33Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 2.83Å; E246-T249 WeakPolarHBondContact O-CB 3.36Å; E246-T249 PolarHBondContact O-N 3.42Å; E246-T249 VanDerWaalsContact O-N 3.13Å; E246-Q250 PolarHBondContact O-N 3.31Å |
| 247 | R | 83 | Confident | 81.9 | Confident | 114 Ų | 114 | 99.5 Ų | 99.5 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 174.4 | -72 | 170.1 | -175 | 122.6 | 10.6 | 112.2 | E243 Q244 T249 Q250 I251 | E243-R247 VanDerWaalsContact CB-NH1 3.34Å; E243-R247 WeakPolarHBondContact O-CB 3.41Å; E243-R247 VanDerWaalsContact O-CG 3.24Å; E243-R247 WeakPolarHBondContact O-CG 3.3Å; E243-R247 PolarHBondContact O-N 3.05Å; E243-R247 IonicContact OE2-CZ 3.55Å; E243-R247 IonicContact OE2-NH1 2.79Å; E243-R247 PolarHBondContact OE2-NH1 3.43Å; E243-R247 IonicContact OE2-NH2 3.79Å; E243-R247 PolarHBondContact OE2-NH2 3.13Å; Q244-R247 VanDerWaalsContact NE2-NH1 3.11Å; R247-T249 VanDerWaalsContact C-N 3.34Å; R247-Q250 PolarHBondContact O-N 3.37Å; R247-I251 WeakPolarHBondContact O-CG1 3.4Å; R247-I251 PolarHBondContact O-N 3.25Å; R247-I251 VanDerWaalsContact O-N 3.11Å |
| 248 | L | 85.5 | Confident | 82 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -36.5 | 176.5 | -174.3 | 62.5 | 0 | 0 | 0 | 111.9 | Q244 E246 I251 C252 | Q244-L248 VanDerWaalsContact O-CB 3.31Å; Q244-L248 WeakPolarHBondContact O-CB 3.37Å; Q244-L248 PolarHBondContact O-N 2.82Å; E246-L248 VanDerWaalsContact C-N 3.35Å; E246-L248 PolarHBondContact O-N 2.83Å; L248-I251 PolarHBondContact O-N 2.72Å; L248-C252 VanDerWaalsContact O-CB 3.27Å; L248-C252 WeakPolarHBondContact O-CB 3.14Å; L248-C252 PolarHBondContact O-N 3.29Å |
| 249 | T | 84.8 | Confident | 82.1 | Confident | 64 Ų | 64 | 99.8 Ų | 99.8 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.3 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | L245 E246 R247 C252 Q253 | L245-T249 VanDerWaalsContact O-CB 3.27Å; L245-T249 WeakPolarHBondContact O-CB 3.35Å; L245-T249 PolarHBondContact O-N 3.46Å; L245-T249 PolarHBondContact O-OG1 3.24Å; E246-T249 WeakPolarHBondContact O-CB 3.36Å; E246-T249 PolarHBondContact O-N 3.42Å; E246-T249 VanDerWaalsContact O-N 3.13Å; R247-T249 VanDerWaalsContact C-N 3.34Å; T249-C252 WeakPolarHBondContact O-CB 3.48Å; T249-C252 PolarHBondContact O-N 3.09Å; T249-Q253 WeakPolarHBondContact O-CG 3.48Å; T249-Q253 PolarHBondContact O-N 3.25Å |
| 250 | Q | 86.4 | Confident | 81.8 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -49.8 | 175 | -176.4 | -179.6 | -8.2 | 0 | 0 | 111.3 | E246 R247 C252 Q253 E254 | E246-Q250 PolarHBondContact O-N 3.31Å; R247-Q250 PolarHBondContact O-N 3.37Å; Q250-C252 VanDerWaalsContact C-N 3.28Å; Q250-C252 PolarHBondContact O-N 3.34Å; Q250-Q253 PolarHBondContact O-N 3.42Å; Q250-Q253 VanDerWaalsContact O-N 3.12Å; Q250-E254 PolarHBondContact O-N 3.15Å |
| 251 | I | 89.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 176.9 | -65.3 | 163.6 | 0 | 0 | 0 | 110.8 | R247 L248 Q253 E254 Q255 | R247-I251 WeakPolarHBondContact O-CG1 3.4Å; R247-I251 PolarHBondContact O-N 3.25Å; R247-I251 VanDerWaalsContact O-N 3.11Å; L248-I251 PolarHBondContact O-N 2.72Å; I251-Q253 PolarHBondContact O-N 2.84Å; I251-E254 PolarHBondContact O-N 3.08Å; I251-Q255 HydrophobicContact CG2-CG 4.38Å; I251-Q255 WeakPolarHBondContact O-CB 3.48Å; I251-Q255 WeakPolarHBondContact O-CG 3.19Å; I251-Q255 PolarHBondContact O-N 3.44Å |
| 252 | C | 80.8 | Confident | 82.4 | Confident | 90 Ų | 90 | 102.3 Ų | 102.3 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 176.2 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | L248 T249 Q250 G256 | L248-C252 VanDerWaalsContact O-CB 3.27Å; L248-C252 WeakPolarHBondContact O-CB 3.14Å; L248-C252 PolarHBondContact O-N 3.29Å; T249-C252 WeakPolarHBondContact O-CB 3.48Å; T249-C252 PolarHBondContact O-N 3.09Å; Q250-C252 VanDerWaalsContact C-N 3.28Å; Q250-C252 PolarHBondContact O-N 3.34Å; C252-G256 WeakPolarHBondContact O-CA 3.45Å; C252-G256 PolarHBondContact O-N 2.89Å |
| 253 | Q | 82.6 | Confident | 82.1 | Confident | 137 Ų | 137 | 107.4 Ų | 107.4 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70 | -39.7 | 173.7 | -71.4 | -168.9 | 25.5 | 0 | 0 | 112.6 | T249 Q250 I251 G256 F257 | T249-Q253 WeakPolarHBondContact O-CG 3.48Å; T249-Q253 PolarHBondContact O-N 3.25Å; Q250-Q253 PolarHBondContact O-N 3.42Å; Q250-Q253 VanDerWaalsContact O-N 3.12Å; I251-Q253 PolarHBondContact O-N 2.84Å; Q253-G256 CarbonylContact O-C 3.47Å; Q253-G256 WeakPolarHBondContact O-CA 3.35Å; Q253-G256 PolarHBondContact O-N 3.16Å; Q253-F257 PolarHBondContact O-N 3.02Å |
| 254 | E | 85.1 | Confident | 81.7 | Confident | 118 Ų | 118 | 106.3 Ų | 106.3 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -53.2 | 177.7 | -175.3 | 168.9 | -144.4 | 0 | 0 | 111.4 | Q250 I251 G256 F257 E258 | Q250-E254 PolarHBondContact O-N 3.15Å; I251-E254 PolarHBondContact O-N 3.08Å; E254-G256 PolarHBondContact O-N 3.25Å; E254-F257 WeakPolarHBondContact O-CA 3.46Å; E254-F257 WeakPolarHBondContact O-CB 3.28Å; E254-F257 PolarHBondContact O-N 2.82Å; E254-E258 PolarHBondContact O-N 3.38Å |
| 255 | Q | 79.4 | Confident | 81.9 | Confident | 91 Ų | 91 | 105.8 Ų | 105.8 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 170.9 | -69.5 | -65.7 | -74.1 | 0 | 0 | 111.8 | I251 F257 E258 I259 | I251-Q255 HydrophobicContact CG2-CG 4.38Å; I251-Q255 WeakPolarHBondContact O-CB 3.48Å; I251-Q255 WeakPolarHBondContact O-CG 3.19Å; I251-Q255 PolarHBondContact O-N 3.44Å; Q255-F257 PolarHBondContact O-N 2.79Å; Q255-E258 PolarHBondContact NE2-OE2 3.34Å; Q255-E258 PolarHBondContact O-N 3.3Å; Q255-I259 WeakPolarHBondContact O-CD1 3.41Å; Q255-I259 VanDerWaalsContact O-CG1 3.28Å; Q255-I259 WeakPolarHBondContact O-CG1 3.45Å; Q255-I259 PolarHBondContact O-N 3.33Å |
| 256 | G | 78.1 | Confident | 82.2 | Confident | 18 Ų | 18 | 106.3 Ų | 106.3 | 19% | 0.186 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -63.9 | -24.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C252 Q253 E254 R260 | C252-G256 WeakPolarHBondContact O-CA 3.45Å; C252-G256 PolarHBondContact O-N 2.89Å; Q253-G256 CarbonylContact O-C 3.47Å; Q253-G256 WeakPolarHBondContact O-CA 3.35Å; Q253-G256 PolarHBondContact O-N 3.16Å; E254-G256 PolarHBondContact O-N 3.25Å; G256-R260 WeakPolarHBondContact O-CD 3.5Å; G256-R260 VanDerWaalsContact O-CG 3.23Å; G256-R260 WeakPolarHBondContact O-CG 3.47Å; G256-R260 PolarHBondContact O-NE 2.85Å |
| 257 | F | 82.6 | Confident | 81.8 | Confident | 132 Ų | 132 | 102.2 Ų | 102.2 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -81.8 | -46.9 | 172 | -178.3 | -91.1 | 0 | 0 | 0 | 111.1 | Q253 E254 Q255 I259 R260 Q261 | Q253-F257 PolarHBondContact O-N 3.02Å; E254-F257 WeakPolarHBondContact O-CA 3.46Å; E254-F257 WeakPolarHBondContact O-CB 3.28Å; E254-F257 PolarHBondContact O-N 2.82Å; Q255-F257 PolarHBondContact O-N 2.79Å; F257-I259 VanDerWaalsContact C-N 3.3Å; F257-I259 PolarHBondContact O-N 3.07Å; F257-R260 WeakPolarHBondContact O-CB 3.28Å; F257-R260 PolarHBondContact O-N 3.26Å; F257-Q261 PolarHBondContact O-N 2.91Å |
| 258 | E | 81.9 | Confident | 81.4 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -54.6 | -45.5 | 176.2 | -67.2 | -173 | 161.2 | 0 | 0 | 111.8 | E254 Q255 R260 Q261 L262 | E254-E258 PolarHBondContact O-N 3.38Å; Q255-E258 PolarHBondContact NE2-OE2 3.34Å; Q255-E258 PolarHBondContact O-N 3.3Å; E258-R260 VanDerWaalsContact C-N 3.3Å; E258-R260 PolarHBondContact O-N 3.43Å; E258-Q261 PolarHBondContact O-N 3.31Å; E258-L262 WeakPolarHBondContact O-CB 3.28Å; E258-L262 WeakPolarHBondContact O-CG 3.43Å; E258-L262 PolarHBondContact O-N 2.89Å |
| 259 | I | 82.3 | Confident | 81.1 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -35.4 | 177.2 | -68.3 | 165.6 | 0 | 0 | 0 | 111.9 | Q255 F257 R263 | Q255-I259 WeakPolarHBondContact O-CD1 3.41Å; Q255-I259 VanDerWaalsContact O-CG1 3.28Å; Q255-I259 WeakPolarHBondContact O-CG1 3.45Å; Q255-I259 PolarHBondContact O-N 3.33Å; F257-I259 VanDerWaalsContact C-N 3.3Å; F257-I259 PolarHBondContact O-N 3.07Å; I259-R263 WeakPolarHBondContact O-CB 3.02Å; I259-R263 WeakPolarHBondContact O-CD 3.34Å; I259-R263 VanDerWaalsContact O-CG 3.23Å; I259-R263 WeakPolarHBondContact O-CG 3.26Å; I259-R263 PolarHBondContact O-N 3.48Å; I259-R263 VanDerWaalsContact O-N 3.11Å |
| 260 | R | 78.4 | Confident | 80.5 | Confident | 171 Ų | 171 | 106.7 Ų | 106.7 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.4 | -42.9 | 175.5 | -69 | 169.4 | -144.5 | -176.9 | 4 | 111.2 | G256 F257 E258 R263 A264 | G256-R260 WeakPolarHBondContact O-CD 3.5Å; G256-R260 VanDerWaalsContact O-CG 3.23Å; G256-R260 WeakPolarHBondContact O-CG 3.47Å; G256-R260 PolarHBondContact O-NE 2.85Å; F257-R260 WeakPolarHBondContact O-CB 3.28Å; F257-R260 PolarHBondContact O-N 3.26Å; E258-R260 VanDerWaalsContact C-N 3.3Å; E258-R260 PolarHBondContact O-N 3.43Å; R260-R263 PolarHBondContact O-N 3.11Å; R260-A264 WeakPolarHBondContact O-CB 3.38Å; R260-A264 PolarHBondContact O-N 2.91Å |
| 261 | Q | 83.4 | Confident | 79.9 | Confident | 94 Ų | 94 | 106.6 Ų | 106.6 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.5 | 179.8 | 174.1 | -5.7 | 0 | 0 | 111.5 | F257 E258 R263 A264 H265 | F257-Q261 PolarHBondContact O-N 2.91Å; E258-Q261 PolarHBondContact O-N 3.31Å; Q261-R263 PolarHBondContact O-N 3.5Å; Q261-A264 PolarHBondContact O-N 3.16Å; Q261-H265 PolarHBondContact NE2-NE2 3.3Å; Q261-H265 PolarHBondContact O-CD2 3.03Å; Q261-H265 PolarHBondContact O-N 2.72Å |
| 262 | L | 83.8 | Confident | 79 | Confident | 110 Ų | 110 | 107.5 Ų | 107.5 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 176 | -72.1 | 168.7 | 0 | 0 | 0 | 112 | E258 H265 L266 | E258-L262 WeakPolarHBondContact O-CB 3.28Å; E258-L262 WeakPolarHBondContact O-CG 3.43Å; E258-L262 PolarHBondContact O-N 2.89Å; L262-H265 PolarHBondContact O-N 3.19Å; L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 PolarHBondContact O-N 3.24Å |
| 263 | R | 76.2 | Confident | 78.6 | Confident | 174 Ų | 174 | 108.6 Ų | 108.6 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -38.5 | 173.5 | -76.9 | 172.3 | 179 | 162.6 | 1.8 | 112.7 | I259 R260 Q261 L266 A267 | I259-R263 WeakPolarHBondContact O-CB 3.02Å; I259-R263 WeakPolarHBondContact O-CD 3.34Å; I259-R263 VanDerWaalsContact O-CG 3.23Å; I259-R263 WeakPolarHBondContact O-CG 3.26Å; I259-R263 PolarHBondContact O-N 3.48Å; I259-R263 VanDerWaalsContact O-N 3.11Å; R260-R263 PolarHBondContact O-N 3.11Å; Q261-R263 PolarHBondContact O-N 3.5Å; R263-L266 PolarHBondContact O-N 3.12Å; R263-A267 WeakPolarHBondContact O-CB 3.28Å; R263-A267 PolarHBondContact O-N 3.36Å |
| 264 | A | 79 | Confident | 78.1 | Confident | 57 Ų | 57 | 104.4 Ų | 104.4 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R260 Q261 A267 Q268 | R260-A264 WeakPolarHBondContact O-CB 3.38Å; R260-A264 PolarHBondContact O-N 2.91Å; Q261-A264 PolarHBondContact O-N 3.16Å; A264-A267 PolarHBondContact O-N 3.14Å; A264-Q268 WeakPolarHBondContact O-CB 3.43Å; A264-Q268 PolarHBondContact O-N 3.25Å |
| 265 | H | 76.1 | Confident | 77.6 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.8 | -73.7 | -59.1 | 0 | 0 | 0 | 112.6 | Q261 L262 Q268 Q269 | Q261-H265 PolarHBondContact NE2-NE2 3.3Å; Q261-H265 PolarHBondContact O-CD2 3.03Å; Q261-H265 PolarHBondContact O-N 2.72Å; L262-H265 PolarHBondContact O-N 3.19Å; H265-Q268 PolarHBondContact O-N 3.34Å; H265-Q269 WeakPolarHBondContact O-CG 3.42Å; H265-Q269 PolarHBondContact O-N 3.33Å |
| 266 | L | 79.9 | Confident | 77 | Confident | 114 Ų | 114 | 103.4 Ų | 103.4 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.1 | -49.3 | 174.2 | -96.5 | 160.2 | 0 | 0 | 0 | 112.1 | L262 R263 Q268 Q269 D270 | L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 PolarHBondContact O-N 3.24Å; R263-L266 PolarHBondContact O-N 3.12Å; L266-Q268 VanDerWaalsContact C-N 3.27Å; L266-Q268 PolarHBondContact O-N 3.47Å; L266-Q269 PolarHBondContact O-N 2.97Å; L266-D270 PolarHBondContact O-N 2.81Å |
| 267 | A | 78.2 | Confident | 76.6 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -36 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R263 A264 L271 | R263-A267 WeakPolarHBondContact O-CB 3.28Å; R263-A267 PolarHBondContact O-N 3.36Å; A264-A267 PolarHBondContact O-N 3.14Å; A267-L271 WeakPolarHBondContact O-CD1 3.19Å; A267-L271 PolarHBondContact O-N 3.13Å; A267-L271 VanDerWaalsContact O-N 3.14Å |
| 268 | Q | 76 | Confident | 76 | Confident | 138 Ų | 138 | 110 Ų | 110 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -72.3 | -36.2 | 176.9 | -169.6 | 170.4 | -26.2 | 0 | 0 | 112.4 | A264 H265 L266 D272 | A264-Q268 WeakPolarHBondContact O-CB 3.43Å; A264-Q268 PolarHBondContact O-N 3.25Å; H265-Q268 PolarHBondContact O-N 3.34Å; L266-Q268 VanDerWaalsContact C-N 3.27Å; L266-Q268 PolarHBondContact O-N 3.47Å; Q268-D272 PolarHBondContact O-N 3.29Å; Q268-D272 VanDerWaalsContact O-N 3.09Å |
| 269 | Q | 79 | Confident | 75.3 | Confident | 132 Ų | 132 | 108.6 Ų | 108.6 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.3 | -39.3 | 172 | -77.1 | 179.6 | -22.6 | 0 | 0 | 112.3 | H265 L266 L271 D272 L273 | H265-Q269 WeakPolarHBondContact O-CG 3.42Å; H265-Q269 PolarHBondContact O-N 3.33Å; L266-Q269 PolarHBondContact O-N 2.97Å; Q269-L271 VanDerWaalsContact C-N 3.35Å; Q269-D272 PolarHBondContact O-N 2.71Å; Q269-L273 WeakPolarHBondContact O-CB 3.45Å; Q269-L273 PolarHBondContact O-N 3.26Å |
| 270 | D | 72.8 | Confident | 74.3 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.4 | -36.1 | 179.2 | -152 | 36.2 | 0 | 0 | 0 | 111.5 | L266 A274 | L266-D270 PolarHBondContact O-N 2.81Å; D270-A274 VanDerWaalsContact O-CB 3.32Å; D270-A274 WeakPolarHBondContact O-CB 3.43Å; D270-A274 PolarHBondContact O-N 3.16Å |
| 271 | L | 72.7 | Confident | 73.4 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 69% | 0.686 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.3 | -42.3 | 169.4 | -103 | 71.7 | 0 | 0 | 0 | 112.9 | A267 Q269 A274 A275 | A267-L271 WeakPolarHBondContact O-CD1 3.19Å; A267-L271 PolarHBondContact O-N 3.13Å; A267-L271 VanDerWaalsContact O-N 3.14Å; Q269-L271 VanDerWaalsContact C-N 3.35Å; L271-A274 PolarHBondContact O-N 3.44Å; L271-A275 WeakPolarHBondContact O-CB 3.05Å; L271-A275 PolarHBondContact O-N 3.03Å |
| 272 | D | 71.4 | Confident | 72 | Confident | 113 Ų | 113 | 108.3 Ų | 108.3 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68 | -40.2 | -179.8 | -148.3 | 26.3 | 0 | 0 | 0 | 110.8 | Q268 Q269 A275 E276 | Q268-D272 PolarHBondContact O-N 3.29Å; Q268-D272 VanDerWaalsContact O-N 3.09Å; Q269-D272 PolarHBondContact O-N 2.71Å; D272-A275 PolarHBondContact O-N 2.98Å; D272-E276 PolarHBondContact O-N 3.25Å |
| 273 | L | 72.4 | Confident | 70.3 | Confident | 114 Ų | 114 | 105.5 Ų | 105.5 | 60% | 0.597 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -35.9 | 174.1 | -139.4 | 77.1 | 0 | 0 | 0 | 112.4 | Q269 R277 | Q269-L273 WeakPolarHBondContact O-CB 3.45Å; Q269-L273 PolarHBondContact O-N 3.26Å; L273-R277 VanDerWaalsContact O-CB 3.25Å; L273-R277 WeakPolarHBondContact O-CB 3.26Å; L273-R277 PolarHBondContact O-N 3.35Å |
| 274 | A | 72.4 | Confident | 68.9 | Low | 49 Ų | 49 | 102.7 Ų | 102.7 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.1 | -41.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D270 L271 R277 E278 | D270-A274 VanDerWaalsContact O-CB 3.32Å; D270-A274 WeakPolarHBondContact O-CB 3.43Å; D270-A274 PolarHBondContact O-N 3.16Å; L271-A274 PolarHBondContact O-N 3.44Å; A274-R277 WeakPolarHBondContact O-CB 3.48Å; A274-R277 PolarHBondContact O-N 3.29Å; A274-E278 PolarHBondContact O-N 3.01Å |
| 275 | A | 72.8 | Confident | 67.4 | Low | 54 Ų | 54 | 108.3 Ų | 108.3 | 45% | 0.446 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L271 D272 R277 E278 A279 | L271-A275 WeakPolarHBondContact O-CB 3.05Å; L271-A275 PolarHBondContact O-N 3.03Å; D272-A275 PolarHBondContact O-N 2.98Å; A275-R277 VanDerWaalsContact C-N 3.32Å; A275-R277 PolarHBondContact O-N 3.48Å; A275-E278 PolarHBondContact O-N 2.95Å; A275-A279 WeakPolarHBondContact O-CB 3.29Å; A275-A279 PolarHBondContact O-N 3.4Å |
| 276 | E | 68.2 | Low | 66 | Low | 134 Ų | 134 | 109.8 Ų | 109.8 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61 | -40.8 | 171.3 | -78.7 | -153.4 | 135.2 | 0 | 0 | 111.7 | D272 E278 A279 A280 | D272-E276 PolarHBondContact O-N 3.25Å; E276-E278 PolarHBondContact O-N 3.42Å; E276-A279 PolarHBondContact O-N 2.92Å; E276-A280 VanDerWaalsContact O-CB 3.27Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 2.8Å |
| 277 | R | 69 | Low | 64.4 | Low | 173 Ų | 173 | 112.6 Ų | 112.6 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.9 | -40.6 | 176.8 | -179.1 | 176.9 | 179 | -90.7 | 2.1 | 112.1 | L273 A274 A275 L281 | L273-R277 VanDerWaalsContact O-CB 3.25Å; L273-R277 WeakPolarHBondContact O-CB 3.26Å; L273-R277 PolarHBondContact O-N 3.35Å; A274-R277 WeakPolarHBondContact O-CB 3.48Å; A274-R277 PolarHBondContact O-N 3.29Å; A275-R277 VanDerWaalsContact C-N 3.32Å; A275-R277 PolarHBondContact O-N 3.48Å; R277-L281 HydrophobicContact CG-CD1 4.48Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.33Å; R277-L281 PolarHBondContact O-N 2.97Å; R277-L281 VanDerWaalsContact O-N 3.11Å |
| 278 | E | 70.7 | Confident | 62.8 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 53% | 0.533 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.9 | -38.2 | 175.2 | -71.6 | -170.5 | 175.5 | 0 | 0 | 112.4 | A274 A275 E276 A280 L281 Q282 | A274-E278 PolarHBondContact O-N 3.01Å; A275-E278 PolarHBondContact O-N 2.95Å; E276-E278 PolarHBondContact O-N 3.42Å; E278-A280 PolarHBondContact O-N 3.35Å; E278-L281 PolarHBondContact O-N 3.08Å; E278-Q282 VanDerWaalsContact O-CG 3.3Å; E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.45Å |
| 279 | A | 67 | Low | 61 | Low | 60 Ų | 60 | 117.4 Ų | 117.4 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.1 | -40 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | A275 E276 L281 Q282 A283 | A275-A279 WeakPolarHBondContact O-CB 3.29Å; A275-A279 PolarHBondContact O-N 3.4Å; E276-A279 PolarHBondContact O-N 2.92Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 2.86Å; A279-Q282 CarbonylContact O-C 3.57Å; A279-Q282 PolarHBondContact O-N 3.27Å; A279-Q282 VanDerWaalsContact O-N 3.16Å; A279-A283 PolarHBondContact O-N 2.92Å |
| 280 | A | 60.6 | Low | 59.4 | Low | 71 Ų | 71 | 117.3 Ų | 117.3 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.4 | -31.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E276 E278 Q282 | E276-A280 VanDerWaalsContact O-CB 3.27Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 2.8Å; E278-A280 PolarHBondContact O-N 3.35Å; A280-Q282 VanDerWaalsContact C-N 3.35Å |
| 281 | L | 58.9 | Low | 57.6 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 61% | 0.613 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.2 | -24 | 172 | -73.2 | 166.9 | 0 | 0 | 0 | 113 | R277 E278 A279 | R277-L281 HydrophobicContact CG-CD1 4.48Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.33Å; R277-L281 PolarHBondContact O-N 2.97Å; R277-L281 VanDerWaalsContact O-N 3.11Å; E278-L281 PolarHBondContact O-N 3.08Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 2.86Å |
| 282 | Q | 55.7 | Low | 56 | Low | 149 Ų | 149 | 122.1 Ų | 122.1 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -91.4 | -7.6 | 177.1 | -67.8 | 172.6 | 37.8 | 0 | 0 | 113.4 | E278 A279 A280 P284 | E278-Q282 VanDerWaalsContact O-CG 3.3Å; E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.45Å; A279-Q282 CarbonylContact O-C 3.57Å; A279-Q282 PolarHBondContact O-N 3.27Å; A279-Q282 VanDerWaalsContact O-N 3.16Å; A280-Q282 VanDerWaalsContact C-N 3.35Å; Q282-P284 WeakPolarHBondContact O-CD 3.47Å |
| 283 | A | 47.1 | Very low | 54.6 | Low | 51 Ų | 51 | 127.5 Ų | 127.5 | 42% | 0.421 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -66.7 | 123.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A279 H285 | A279-A283 PolarHBondContact O-N 2.92Å; A283-H285 PolarHBondContact O-N 3.4Å |
| 284 | P | 47.1 | Very low | 52.8 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | trans | -59.2 | 130 | -175.8 | -27.5 | 35.8 | 0 | 0 | 0 | 113.7 | Q282 V286 | Q282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-V286 PolarHBondContact O-N 3.03Å | ||
| 285 | H | 48.2 | Very low | 50.9 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | trans | -70.8 | 91.8 | -175.9 | -49.7 | -39.6 | 0 | 0 | 0 | 112.7 | A283 | A283-H285 PolarHBondContact O-N 3.4Š| ||
| 286 | V | 46.1 | Very low | 49.1 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | trans | -116.9 | 52.9 | 176.9 | -163.1 | 0 | 0 | 0 | 0 | 112.1 | P284 | P284-V286 PolarHBondContact O-N 3.03Š| ||
| 287 | L | 45.8 | Very low | 47.5 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | trans | -149.9 | 64.5 | 160.2 | -155.7 | 75.2 | 0 | 0 | 0 | 112.7 | Q289 | L287-Q289 PolarHBondContact O-N 3.16Š| ||
| 288 | S | 45.4 | Very low | 46.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -84.6 | 105.3 | 176.8 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 289 | Q | 37.8 | Very low | 44.5 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -149.2 | 115.1 | 160.3 | -161.7 | 168.6 | 82.3 | 0 | 0 | 112.8 | L287 | L287-Q289 PolarHBondContact O-N 3.16Š| ||
| 290 | P | 46.4 | Very low | 42.9 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | trans | -82.2 | 130.2 | 175.7 | 32.1 | -32.2 | 0 | 0 | 0 | 110.9 | ||||
| 291 | R | 33.1 | Very low | 41.5 | Very low | 244 Ų | 244 | 143.3 Ų | 143.3 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -127 | 117.8 | 170.1 | -171 | 167.9 | -179.9 | 153.7 | -1.9 | 110.2 | ||||
| 292 | S | 41 | Very low | 40.1 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -92.2 | 170.8 | -174.5 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 293 | R | 40.1 | Very low | 38.9 | Very low | 227 Ų | 227 | 147.1 Ų | 147.1 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 114.3 | -174.1 | -52.3 | 176.7 | 177 | 178.1 | -0.9 | 114.6 | ||||
| 294 | F | 35.3 | Very low | 38.3 | Very low | 218 Ų | 218 | 153.4 Ų | 153.4 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | -134.9 | 173.5 | 98.8 | -100.9 | -76.8 | 0 | 0 | 0 | 109.8 | |||||
| 295 | K | 31.8 | Very low | 37.6 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -124.5 | 118.1 | -160.7 | -178.8 | -173.2 | 178.8 | -169.3 | 0 | 109.8 | V297 | K295-V297 HydrophobicContact CG-CG2 4.49Š| ||
| 296 | V | 36.3 | Very low | 36.7 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -67.3 | 139.2 | 166.8 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 297 | V | 34.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | -124.8 | 132.1 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 107.7 | K295 | K295-V297 HydrophobicContact CG-CG2 4.49Š| ||
| 298 | E | 41.7 | Very low | 35.4 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -112.4 | 144.6 | -172.5 | -178.4 | 177 | -168.2 | 0 | 0 | 110.4 | ||||
| 299 | A | 34.6 | Very low | 34.8 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -143.6 | 130.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 300 | G | 33.3 | Very low | 34.3 | Very low | 61 Ų | 61 | 146.1 Ų | 146.1 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | cis | 102.6 | 133.8 | 34.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 301 | T | 31.9 | Very low | 33.6 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 63% | 0.632 | 78% | 0.779 | S | S | * | * | cis | -162.8 | 174.8 | 14.2 | 36.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 302 | W | 29.8 | Very low | 33.7 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 78.1 | 137.3 | 168.2 | -36.5 | 118 | 0 | 0 | 0 | 115.5 | ||||
| 303 | D | 30 | Very low | 33.3 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -158.5 | -179.1 | -8 | -111.9 | -23.4 | 0 | 0 | 0 | 113 | ||||
| 304 | E | 34.7 | Very low | 33.1 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -60 | 162.5 | 176 | -54.4 | 169.2 | 119.7 | 0 | 0 | 113.5 | ||||
| 305 | E | 31.7 | Very low | 32.9 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | cis | -129.9 | -139.8 | -5.7 | -146.7 | -148.3 | 115.9 | 0 | 0 | 108.1 | A307 | E305-A307 PolarHBondContact OE1-N 3.24Š| ||
| 306 | T | 30.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | cis | -142 | 161.1 | 5.1 | -33.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 307 | A | 32.7 | Very low | 32.5 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | -40.5 | 149 | 174.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | E305 | E305-A307 PolarHBondContact OE1-N 3.24Š| ||
| 308 | A | 31.7 | Very low | 32.1 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | 81.8 | 123.9 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 309 | E | 32.2 | Very low | 31.6 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 62.5 | 137 | 139.4 | -67.5 | 178.9 | 176.5 | 0 | 0 | 119.8 | ||||
| 310 | S | 27.6 | Very low | 31.3 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | cis | -166.2 | 169.1 | -6.3 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 311 | V | 31.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 67 | 131.5 | 158.6 | 177.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 312 | V | 36.9 | Very low | 32.1 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | trans | -50 | 132.5 | 168.7 | 177.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 313 | E | 31 | Very low | 32.9 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -142.2 | 136.9 | 147 | -159.5 | 166 | 142.2 | 0 | 0 | 110.2 | L315 | E313-L315 HydrophobicContact CG-CD1 4.32Å; E313-L315 WeakPolarHBondContact OE1-CD1 3.46Å | ||
| 314 | E | 37.1 | Very low | 33.5 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -100.9 | 98.2 | -174.8 | -175.3 | -177.9 | 133.7 | 0 | 0 | 110 | ||||
| 315 | L | 29.8 | Very low | 34.2 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | -130.2 | 93.8 | -176.7 | -92.4 | 164.8 | 0 | 0 | 0 | 113 | E313 | E313-L315 HydrophobicContact CG-CD1 4.32Å; E313-L315 WeakPolarHBondContact OE1-CD1 3.46Å | ||
| 316 | Q | 28.4 | Very low | 35.7 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | 35.9 | 127.6 | 136.8 | -156.9 | 168.2 | 1.4 | 0 | 0 | 119.8 | ||||
| 317 | P | 31.9 | Very low | 36.9 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -67.9 | 142 | -177.7 | 28.9 | -36.1 | 0 | 0 | 0 | 113.4 | Q319 | P317-Q319 PolarHBondContact O-N 2.89Š| ||
| 318 | S | 25.8 | Very low | 37.6 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -67.4 | 125.9 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | E320 | S318-E320 PolarHBondContact O-N 3.17Š| ||
| 319 | Q | 31.9 | Very low | 38.7 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | trans | -79.5 | 109.8 | -179.3 | -176.7 | 178.4 | 14.4 | 0 | 0 | 111.4 | P317 | P317-Q319 PolarHBondContact O-N 2.89Š| ||
| 320 | E | 28.3 | Very low | 39.7 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | trans | -104.8 | 136.4 | 168.5 | -166 | 160.8 | -138.3 | 0 | 0 | 110.5 | S318 | S318-E320 PolarHBondContact O-N 3.17Š| ||
| 321 | A | 46.3 | Very low | 40.8 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | trans | -92.5 | 116.5 | -157.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 322 | M | 34.9 | Very low | 41.9 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -130.7 | 102.6 | 152.3 | -165.8 | 168.2 | 75.4 | 0 | 0 | 109.5 | K324 | M322-K324 PolarHBondContact O-N 3.35Š| ||
| 323 | V | 46 | Very low | 42.7 | Very low | 141 Ų | 141 | 135 Ų | 135 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | trans | -67.1 | 104.3 | 176.4 | 179 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 324 | K | 42.9 | Very low | 43.5 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -110.9 | 103.3 | 172.5 | -165.8 | 173.2 | -175.4 | -179.2 | 0 | 107.7 | M322 D326 | M322-K324 PolarHBondContact O-N 3.35Å; K324-D326 PolarHBondContact O-N 3.31Å | ||
| 325 | D | 49.7 | Very low | 43.9 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | trans | -70.5 | 96.2 | -174.3 | -165.7 | 15 | 0 | 0 | 0 | 110.2 | M327 | D325-M327 PolarHBondContact O-N 3.21Š| ||
| 326 | D | 62.9 | Low | 44.8 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 54% | 0.535 | 70% | 0.702 | S | S | . | * | trans | -85.2 | 97.4 | -177.9 | -173.7 | 11 | 0 | 0 | 0 | 111 | K324 N328 S329 | K324-D326 PolarHBondContact O-N 3.31Å; D326-N328 PolarHBondContact O-N 3.37Å; D326-N328 WeakPolarHBondContact OD1-CB 3.32Å; D326-N328 PolarHBondContact OD1-N 2.92Å; D326-N328 VanDerWaalsContact OD1-N 3.07Å; D326-S329 VanDerWaalsContact O-CB 3.24Å; D326-S329 WeakPolarHBondContact O-CB 3.42Å; D326-S329 PolarHBondContact O-N 3.23Å | ||
| 327 | M | 55.2 | Low | 45.6 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.9 | -29.4 | 173.3 | -159.3 | 74 | 66.3 | 0 | 0 | 113.5 | D325 S329 | D325-M327 PolarHBondContact O-N 3.21Å; M327-S329 VanDerWaalsContact C-N 3.26Å; M327-S329 PolarHBondContact O-N 3.42Å |
| 328 | N | 47.6 | Very low | 46.2 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -69.1 | -21.6 | -179.1 | -158.2 | 36.7 | 0 | 0 | 0 | 113.4 | D326 S332 | D326-N328 PolarHBondContact O-N 3.37Å; D326-N328 WeakPolarHBondContact OD1-CB 3.32Å; D326-N328 PolarHBondContact OD1-N 2.92Å; D326-N328 VanDerWaalsContact OD1-N 3.07Å; N328-S332 PolarHBondContact O-N 2.78Å; N328-S332 PolarHBondContact O-OG 2.89Å |
| 329 | S | 54.6 | Low | 46.4 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 43% | 0.427 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -64.4 | -44.3 | 177 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | D326 M327 I331 S332 Q333 | D326-S329 VanDerWaalsContact O-CB 3.24Å; D326-S329 WeakPolarHBondContact O-CB 3.42Å; D326-S329 PolarHBondContact O-N 3.23Å; M327-S329 VanDerWaalsContact C-N 3.26Å; M327-S329 PolarHBondContact O-N 3.42Å; S329-I331 PolarHBondContact O-N 3.39Å; S329-S332 PolarHBondContact O-N 3.42Å; S329-Q333 PolarHBondContact O-N 3.25Å |
| 330 | Y | 52.9 | Low | 46.8 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -64.9 | -38 | 179.1 | -72.7 | -78.6 | 0 | 0 | 0 | 112.7 | S332 | Y330-S332 VanDerWaalsContact C-N 3.32Å; Y330-S332 PolarHBondContact O-N 3.45Å |
| 331 | I | 52 | Low | 47 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 47% | 0.472 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -64.1 | -41.3 | 176.6 | -57.4 | 174.3 | 0 | 0 | 0 | 110.2 | S329 Q333 Y334 Y335 | S329-I331 PolarHBondContact O-N 3.39Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.95Å; I331-Y334 PolarHBondContact O-N 3.39Å; I331-Y335 HydrophobicContact CG2-CD2 4.25Å; I331-Y335 HydrophobicContact CG2-CE2 4.38Å |
| 332 | S | 53.9 | Low | 46.4 | Very low | 58 Ų | 58 | 128.2 Ų | 128.2 | 41% | 0.406 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -64.6 | -29.8 | -176.1 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | N328 S329 Y330 N336 | N328-S332 PolarHBondContact O-N 2.78Å; N328-S332 PolarHBondContact O-OG 2.89Å; S329-S332 PolarHBondContact O-N 3.42Å; Y330-S332 VanDerWaalsContact C-N 3.32Å; Y330-S332 PolarHBondContact O-N 3.45Å; S332-N336 PolarHBondContact O-ND2 3.01Å |
| 333 | Q | 54.1 | Low | 46.1 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.1 | -25.6 | 178.1 | -65.1 | -179 | 23.9 | 0 | 0 | 113.2 | S329 I331 | S329-Q333 PolarHBondContact O-N 3.25Å; I331-Q333 VanDerWaalsContact C-N 3.29Å; I331-Q333 PolarHBondContact O-N 2.95Å |
| 334 | Y | 46.6 | Very low | 45.8 | Very low | 211 Ų | 211 | 124.2 Ų | 124.2 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -83.7 | -19.8 | -174.7 | -123.2 | -85.4 | 0 | 0 | 0 | 114.4 | I331 | I331-Y334 PolarHBondContact O-N 3.39Å |
| 335 | Y | 46.9 | Very low | 46.1 | Very low | 195 Ų | 195 | 120.9 Ų | 120.9 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -106.2 | -13.3 | -175.1 | -78.6 | -80 | 0 | 0 | 0 | 115.1 | I331 G337 | I331-Y335 HydrophobicContact CG2-CD2 4.25Å; I331-Y335 HydrophobicContact CG2-CE2 4.38Å; Y335-G337 PolarHBondContact O-N 3.12Å |
| 336 | N | 47.1 | Very low | 45.2 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 68% | 0.684 | 70% | 0.696 | S | S | * | * | trans | -101.7 | 66.8 | -176 | -70.3 | -74.1 | 0 | 0 | 0 | 112.4 | S332 | S332-N336 PolarHBondContact O-ND2 3.01Š| ||
| 337 | G | 45.4 | Very low | 43.6 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -75 | 136.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y335 | Y335-G337 PolarHBondContact O-N 3.12Š|
| 338 | P | 44.9 | Very low | 42.5 | Very low | 132 Ų | 132 | 119 Ų | 119 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 142.7 | -171.3 | 29.1 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 339 | S | 30.9 | Very low | 41.7 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 146.1 | 170.1 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 340 | S | 39.6 | Very low | 40.6 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 149.6 | -176.3 | -39 | 0 | 0 | 0 | 0 | 115.7 | ||
| 341 | D | 33.3 | Very low | 39.3 | Very low | 155 Ų | 155 | 124 Ų | 124 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | -170.6 | 157.6 | 107.8 | -161.9 | 16 | 0 | 0 | 0 | 113.4 | |||||
| 342 | S | 33.1 | Very low | 38.7 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 73.6 | 128.3 | 164.9 | 77 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 343 | G | 29.1 | Very low | 37.5 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 98.8 | 108.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 344 | V | 38.4 | Very low | 37 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -150.4 | 154.9 | -177.5 | 164.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 345 | P | 49.8 | Very low | 36.5 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | cis | -113.8 | -169.1 | 4.1 | 42.2 | -28.5 | 0 | 0 | 0 | 112.6 | ||||
| 346 | D | 30.4 | Very low | 35.9 | Very low | 150 Ų | 150 | 117.5 Ų | 117.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | S | Bend | cis | -148.2 | 155.1 | 7.1 | -148.2 | 21.3 | 0 | 0 | 0 | 106.6 | ||
| 347 | A | 29.4 | Very low | 35.4 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | cis | -138.8 | 162.3 | 28.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 348 | A | 32.6 | Very low | 34.7 | Very low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -57.4 | 132.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 349 | V | 30.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | cis | 81.2 | 90.6 | 41.1 | -176.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 350 | C | 31.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | 58.1 | 124 | 132.1 | -161.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 351 | M | 26.7 | Very low | 33.9 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -134.2 | 128.2 | 131.9 | -102.7 | -170.1 | 168 | 0 | 0 | 110.4 | ||||
| 352 | V | 38.3 | Very low | 34 | Very low | 124 Ų | 124 | 128 Ų | 128 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -85.9 | 130.8 | 168.5 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 353 | T | 29.8 | Very low | 33.7 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -135.4 | 137.5 | 159.4 | 35 | 0 | 0 | 0 | 0 | 110.7 | A355 | T353-A355 PolarHBondContact O-N 2.97Š| ||
| 354 | T | 44.1 | Very low | 33.8 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -57 | 117.9 | -178.4 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | A356 | T354-A356 PolarHBondContact O-N 2.93Å; T354-A356 VanDerWaalsContact O-N 3.08Å | ||
| 355 | A | 34.6 | Very low | 33.4 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -74 | 95.4 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | T353 | T353-A355 PolarHBondContact O-N 2.97Š| ||
| 356 | A | 34.5 | Very low | 32.4 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 148.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T354 D358 | T354-A356 PolarHBondContact O-N 2.93Å; T354-A356 VanDerWaalsContact O-N 3.08Å; A356-D358 VanDerWaalsContact C-N 3.28Å; A356-D358 PolarHBondContact O-N 3.16Å | ||
| 357 | I | 36.6 | Very low | 32.4 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -77.4 | 88.2 | 171.1 | -58.9 | 176 | 0 | 0 | 0 | 107 | ||||
| 358 | D | 32.1 | Very low | 32.5 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -72.8 | 137.9 | 177.2 | -167.1 | 18.4 | 0 | 0 | 0 | 110.6 | A356 | A356-D358 VanDerWaalsContact C-N 3.28Å; A356-D358 PolarHBondContact O-N 3.16Å | ||
| 359 | I | 35.3 | Very low | 32.3 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -101.7 | 119.4 | -175.1 | -63.9 | 176 | 0 | 0 | 0 | 107.5 | Q361 | I359-Q361 PolarHBondContact O-N 3.27Š| ||
| 360 | H | 32.3 | Very low | 32.2 | Very low | 192 Ų | 192 | 140 Ų | 140 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | trans | -52.1 | 98.3 | 179.9 | -82.7 | -70.6 | 0 | 0 | 0 | 113 | ||||
| 361 | Q | 30.7 | Very low | 32 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -94.1 | 121.1 | 161.1 | -173.5 | 163.2 | 63.8 | 0 | 0 | 108 | I359 | I359-Q361 PolarHBondContact O-N 3.27Š| ||
| 362 | P | 34.6 | Very low | 32.1 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -85 | 121.1 | 177.9 | 31.9 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 363 | D | 27.7 | Very low | 31.8 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -135.4 | 158.8 | 168.4 | -136.4 | -30 | 0 | 0 | 0 | 113.3 | ||||
| 364 | I | 31.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -94 | 136.9 | -149.3 | -49.9 | 167.8 | 0 | 0 | 0 | 111.2 | ||||
| 365 | S | 29 | Very low | 31.5 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -73.5 | 130.2 | -176.7 | 61 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 366 | S | 29.7 | Very low | 31.3 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -166.6 | 120.1 | 146.7 | -78.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 367 | D | 28.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | -167.2 | 152.7 | 124.5 | -118.5 | -18 | 0 | 0 | 0 | 116.5 | |||||
| 368 | L | 32.8 | Very low | 30.4 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | 15.8 | 127.1 | 152.7 | -66.1 | 159.4 | 0 | 0 | 0 | 121.9 | ||||
| 369 | F | 28.2 | Very low | 30.3 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | -104.3 | 133.9 | 156.1 | -100 | -90.7 | 0 | 0 | 0 | 111.2 | ||||
| 370 | S | 27.9 | Very low | 30.1 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -162.9 | 114.5 | 164.7 | -164.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 371 | L | 27.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 140 Ų | 140 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | 179.5 | 175.2 | 143 | -100.1 | 160.2 | 0 | 0 | 0 | 111.1 | ||||
| 372 | D | 29 | Very low | 30.3 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | trans | -115.7 | 175.4 | -145.1 | -156 | 3.2 | 0 | 0 | 0 | 116.5 | ||||
| 373 | M | 31.3 | Very low | 30.3 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -45.2 | 171.4 | 175.3 | -79.7 | -72.2 | 115.5 | 0 | 0 | 117.2 | ||||
| 374 | P | 39.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | cis | -151 | 173.5 | 28.9 | 42.8 | -21.2 | 0 | 0 | 0 | 121.8 | ||||
| 375 | L | 29.1 | Very low | 30.8 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | 107.4 | 102.9 | 131.3 | -130 | 85.9 | 0 | 0 | 0 | 123.4 | ||||
| 376 | K | 28.9 | Very low | 31.2 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | 78.9 | 150.8 | 132.9 | -102.4 | -178.1 | 175.5 | 177.6 | 0 | 124.9 | ||||
| 377 | L | 26.2 | Very low | 31.5 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | 80.6 | 127.5 | 158.4 | -149.5 | 74.9 | 0 | 0 | 0 | 116.8 | ||||
| 378 | G | 26.4 | Very low | 31.8 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | 156.2 | 136.6 | -15.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 379 | G | 29.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 150 | 108.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 380 | N | 31.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | 48.1 | 117 | 143.5 | -63.4 | 6.1 | 0 | 0 | 0 | 125.9 | ||||
| 381 | G | 32.6 | Very low | 32.1 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | 99.7 | 149.9 | 127.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 382 | T | 34.9 | Very low | 32.2 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | cis | -163.4 | 143 | -9.2 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 383 | G | 33.6 | Very low | 32.3 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 105.4 | 114.6 | 168 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 384 | A | 36.8 | Very low | 32.2 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 77 | 125.1 | 59.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 385 | T | 34.1 | Very low | 31.8 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | cis | -147.5 | 169.3 | 33 | 42.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 386 | S | 37.2 | Very low | 31.8 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -3.7 | 140.8 | 159.9 | -73.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 387 | E | 35.8 | Very low | 31.8 | Very low | 161 Ų | 161 | 120.8 Ų | 120.8 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -173 | -160.6 | 5.3 | -123 | 178.5 | -101.1 | 0 | 0 | 111.1 | ||||
| 388 | S | 34.2 | Very low | 31.9 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -154.5 | -154.1 | 12.2 | -154.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 389 | A | 35 | Very low | 32 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -45.9 | 153.9 | 173 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 390 | S | 27.8 | Very low | 32 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | -164.1 | 143.1 | -1.5 | -111.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 391 | R | 33.2 | Very low | 31.9 | Very low | 220 Ų | 220 | 122.9 Ų | 122.9 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | 57.1 | 104.3 | 137.6 | -59.5 | -177.3 | 81.4 | 156.4 | 5.8 | 118.7 | ||||
| 392 | S | 31 | Very low | 31.9 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | 71.5 | 141.1 | 82.8 | 74 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 393 | S | 29.5 | Very low | 31.8 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | cis | -169.5 | 147.6 | 11 | 21.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 394 | V | 30.3 | Very low | 31.5 | Very low | 127 Ų | 127 | 128 Ų | 128 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | 51.1 | 118.1 | 84.5 | 162.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 395 | T | 30.1 | Very low | 31.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -171 | 163.4 | 23.8 | -0.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 396 | R | 28.7 | Very low | 30.8 | Very low | 233 Ų | 233 | 128 Ų | 128 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | 70.3 | 147.6 | 132.2 | -166.6 | -171.9 | -166.5 | 92.5 | 0 | 121.8 | ||||
| 397 | A | 28.7 | Very low | 30.5 | Very low | 77 Ų | 77 | 129 Ų | 129 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | 114.4 | 113.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 398 | Q | 28.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 126.2 Ų | 126.2 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | 61.2 | 123.7 | 135.5 | -66.6 | 178 | -72 | 0 | 0 | 121.6 | ||||
| 399 | S | 30 | Very low | 30.2 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -61.1 | 147.6 | 145.8 | -35.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 400 | D | 28.8 | Very low | 29.9 | Very low | 160 Ų | 160 | 130 Ų | 130 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | -161.4 | 177.4 | 126.5 | -119.5 | -35.5 | 0 | 0 | 0 | 112.9 | |||||
| 401 | S | 29.5 | Very low | 30 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -60.1 | 143.8 | -163.8 | 66 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 402 | S | 32.3 | Very low | 30 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | 34.1 | 128.7 | 127.2 | -47.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 403 | Q | 32.2 | Very low | 30 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | 158.8 | 159.1 | 110.9 | -84.2 | -174.6 | 47.8 | 0 | 0 | 112.5 | |||||
| 404 | T | 28.4 | Very low | 30.1 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 69.2 | 155.5 | 161.5 | 77.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 405 | L | 29.9 | Very low | 30.2 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | cis | -154.8 | 142.6 | -30.4 | -139.9 | 86.2 | 0 | 0 | 0 | 109.1 | ||||
| 406 | G | 26 | Very low | 30.3 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 68.4 | 172.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 407 | S | 30.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -165.2 | 159.9 | -14.4 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 408 | S | 29 | Very low | 31.6 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 67.9 | 150.7 | 169.8 | -111.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 409 | T | 35.2 | Very low | 31.6 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | cis | -134.9 | 141.2 | 16.1 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 410 | D | 28.5 | Very low | 31.5 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | trans | -70 | 162.1 | 176.1 | -49 | -89.6 | 0 | 0 | 0 | 114 | ||||
| 411 | C | 31 | Very low | 31.8 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | trans | -156.6 | 101.4 | 139.9 | -134.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 412 | S | 32 | Very low | 32.3 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -85.5 | 155 | -173.7 | -45.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 413 | T | 31.1 | Very low | 32.1 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | 175.6 | 154.8 | 135.5 | 24.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 414 | A | 31.6 | Very low | 32.9 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | -173.1 | 128.6 | -39.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 415 | R | 32.5 | Very low | 33.2 | Very low | 224 Ų | 224 | 127.5 Ų | 127.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 167.3 | 118.8 | 151.5 | -97.6 | 179.5 | 160 | 170.2 | -4.3 | 108.2 | ||||
| 416 | E | 31.2 | Very low | 34 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | 63.9 | 130.3 | 66.1 | -60.7 | 177.5 | 140.8 | 0 | 0 | 112.9 | |||||
| 417 | E | 36.1 | Very low | 34.4 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | cis | -160.4 | -178.4 | -7.4 | -112.3 | -59.3 | 75.6 | 0 | 0 | 107.3 | ||||
| 418 | P | 48.6 | Very low | 34.7 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | trans | -131.1 | -136.5 | -131.6 | 45.1 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 419 | S | 28.6 | Very low | 34.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 82.9 | 135.5 | 177 | 75.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 420 | S | 29.5 | Very low | 35.8 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -157.3 | 162.4 | -9.9 | -92.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 421 | E | 33.1 | Very low | 36.3 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -80.3 | -165.2 | 169.4 | -44 | 173.3 | 64.6 | 0 | 0 | 111.7 | ||||
| 422 | P | 41.8 | Very low | 36.1 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | cis | -138.2 | 178.6 | -12.7 | 39.1 | -20.6 | 0 | 0 | 0 | 116.2 | ||||
| 423 | G | 28.3 | Very low | 35.8 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | 122.7 | 159.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 424 | P | 48.6 | Very low | 35.6 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -137.5 | 161.8 | -156 | 40.3 | -21 | 0 | 0 | 0 | 120.1 | ||||
| 425 | S | 34 | Very low | 35.4 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 68.5 | 166.5 | 153.9 | -61.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 426 | P | 47.1 | Very low | 35.2 | Very low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | cis | -131.9 | -157.5 | -12.9 | 37.3 | -15.5 | 0 | 0 | 0 | 115.5 | ||||
| 427 | L | 34.2 | Very low | 35.2 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -61.9 | 162.5 | -177.4 | -120 | 81.7 | 0 | 0 | 0 | 117.8 | ||||
| 428 | P | 37.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -152.5 | -167.9 | 90.1 | 41.3 | -21.1 | 0 | 0 | 0 | 117.7 | |||||
| 429 | L | 30.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 133 Ų | 133 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -109.9 | -151.3 | -173.4 | -69 | 154.6 | 0 | 0 | 0 | 114.1 | ||||
| 430 | P | 56 | Low | 34.3 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -114.9 | -168.6 | -108.7 | 40.2 | -21.4 | 0 | 0 | 0 | 115 | |||||
| 431 | P | 38.9 | Very low | 34.1 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | -152.2 | -172.5 | 110 | 40 | -21.5 | 0 | 0 | 0 | 116.8 | |||||
| 432 | Q | 26.7 | Very low | 33.8 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -99.1 | 159.5 | -175.1 | -58.1 | 164.7 | -96.4 | 0 | 0 | 115.2 | ||||
| 433 | Q | 25.8 | Very low | 33.2 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | -178.1 | -171.7 | 127.3 | -102.8 | -172.3 | -32.2 | 0 | 0 | 110.7 | |||||
| 434 | Q | 26.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | -170.4 | 175.1 | -79.1 | -174.6 | 165.6 | -9.4 | 0 | 0 | 109.3 | |||||
| 435 | V | 27.8 | Very low | 32.3 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | 77.9 | 138.7 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 436 | E | 28 | Very low | 31.8 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | cis | -101.1 | 171.1 | 1.6 | -52.7 | 171.1 | 105.8 | 0 | 0 | 111.5 | ||||
| 437 | E | 30.7 | Very low | 30.8 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | cis | 83.4 | 145.6 | 9.9 | -63 | 172.1 | 73.1 | 0 | 0 | 116.4 | ||||
| 438 | A | 29.3 | Very low | 30.5 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | cis | -160.9 | 140.7 | -20 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 439 | T | 32.3 | Very low | 30 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -159.8 | 104.4 | 151.1 | 41.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 440 | V | 33.2 | Very low | 29.9 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | 58.5 | 121.3 | 69.6 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 441 | Q | 26.4 | Very low | 28.6 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | 168.7 | 175.1 | -14.8 | -108.8 | 166.2 | 23.2 | 0 | 0 | 103.8 | ||||
| 442 | D | 26.8 | Very low | 28.2 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | 65 | 135.2 | 171 | -74.8 | -4.9 | 0 | 0 | 0 | 117.1 | ||||
| 443 | L | 29 | Very low | 28.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | cis | -130.1 | 135.1 | 6.7 | -68.9 | 170.2 | 0 | 0 | 0 | 112.2 | ||||
| 444 | L | 31.5 | Very low | 28.6 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | -134.7 | 112.2 | 148.7 | -86.2 | 179.5 | 0 | 0 | 0 | 108.4 | ||||
| 445 | S | 24.9 | Very low | 28.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 149.7 | 145 | 143 | -70.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 446 | S | 25.3 | Very low | 28.5 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 99.9 | 150.7 | 155.6 | -45.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 447 | L | 25.4 | Very low | 28.4 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 74.4 | 116.3 | -175.1 | -53.7 | 173.2 | 0 | 0 | 0 | 113.5 | ||||
| 448 | S | 27.8 | Very low | 28.2 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | cis | 98.1 | 151.6 | 32.2 | -169 | 0 | 0 | 0 | 0 | 113 | ||||
| 449 | E | 27.3 | Very low | 28.2 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | 67.6 | 100.6 | 174 | -73.5 | 126.6 | 104.6 | 0 | 0 | 119.1 | ||||
| 450 | D | 27.5 | Very low | 28.2 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -42.7 | 141.4 | 134.7 | -121.5 | -56 | 0 | 0 | 0 | 110.5 | ||||
| 451 | P | 29.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -152 | 134.3 | 104.4 | 34.9 | -17.1 | 0 | 0 | 0 | 116.9 | |||||
| 452 | C | 30.8 | Very low | 28.4 | Very low | 115 Ų | 115 | 135 Ų | 135 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 141.4 | 137.4 | -73.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 453 | P | 36.7 | Very low | 28.3 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | -156.4 | 170.2 | 75.3 | 42.1 | -23.5 | 0 | 0 | 0 | 117.5 | |||||
| 454 | S | 24.4 | Very low | 28 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | -177.9 | 150.9 | 118.2 | 43.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 455 | Q | 26.6 | Very low | 27.8 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -108.7 | 138.4 | -176.6 | -61.1 | 164.9 | -37.4 | 0 | 0 | 111.8 | ||||
| 456 | R | 25 | Very low | 27.9 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -166.8 | 92 | 151.8 | -163.9 | 161.2 | -70.2 | 155 | 0.5 | 108.7 | ||||
| 457 | A | 26.3 | Very low | 27.8 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 55.7 | 95.5 | 59.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 458 | L | 27 | Very low | 28.7 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -171.8 | 113.9 | 149.9 | -107.2 | 164.7 | 0 | 0 | 0 | 110.8 | ||||
| 459 | D | 27.7 | Very low | 28.6 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -125.8 | 137.2 | 156.9 | -173.7 | 9.3 | 0 | 0 | 0 | 104.5 | ||||
| 460 | P | 33.9 | Very low | 28.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -147.4 | 158.5 | 105.7 | 37.4 | -20.9 | 0 | 0 | 0 | 116.4 | |||||
| 461 | A | 26.2 | Very low | 28.4 | Very low | 81 Ų | 81 | 128 Ų | 128 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -57 | -178 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 462 | P | 36.7 | Very low | 28.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | -153.7 | -166.9 | 23 | 46.6 | -24.5 | 0 | 0 | 0 | 119.1 | ||||
| 463 | L | 24.3 | Very low | 28.6 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 69.8 | 111.2 | 156.3 | -68.8 | 171.3 | 0 | 0 | 0 | 120 | ||||
| 464 | S | 24.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | -163 | 143.5 | 109.1 | 41.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 465 | R | 27 | Very low | 28.9 | Very low | 211 Ų | 211 | 130.1 Ų | 130.1 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -112.7 | 143.6 | 169.6 | -168.1 | -168.4 | 175.5 | 171.9 | 2.9 | 106.8 | S467 | R465-S467 PolarHBondContact NE-OG 3.43Š| ||
| 466 | P | 27.6 | Very low | 29.6 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | -138.9 | 157.8 | 113.6 | 36 | -24.2 | 0 | 0 | 0 | 114.7 | |||||
| 467 | S | 22.7 | Very low | 30.3 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 54% | 0.538 | 76% | 0.755 | S | S | . | * | trans | -128.5 | 170 | 156 | -36.2 | 0 | 0 | 0 | 0 | 105.1 | R465 | R465-S467 PolarHBondContact NE-OG 3.43Š| ||
| 468 | P | 44.4 | Very low | 30.9 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | cis | -138.8 | -161 | 10.3 | 43.6 | -24.4 | 0 | 0 | 0 | 114.2 | ||||
| 469 | A | 25.4 | Very low | 31.6 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | 72.3 | 141.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 470 | G | 24.4 | Very low | 32.1 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | 175.7 | -172.3 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 471 | S | 25.8 | Very low | 32.8 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | 69.9 | 133.5 | -174.8 | -161.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 472 | A | 33.7 | Very low | 33.7 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | -83.4 | 156.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 473 | Q | 30.1 | Very low | 34 | Very low | 190 Ų | 190 | 123.4 Ų | 123.4 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | trans | -154.1 | 149.9 | 148.1 | -124.5 | 164.5 | 80.6 | 0 | 0 | 109.6 | ||||
| 474 | T | 36.5 | Very low | 35.1 | Very low | 138 Ų | 138 | 120.8 Ų | 120.8 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | trans | -76.7 | 132.4 | -171.6 | 46 | 0 | 0 | 0 | 0 | 112 | ||||
| 475 | S | 31.6 | Very low | 35.9 | Very low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | trans | -94.3 | 125.9 | -178.2 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | E477 | S475-E477 VanDerWaalsContact C-N 3.27Å; S475-E477 PolarHBondContact O-N 3.3Å; S475-E477 WeakPolarHBondContact OG-CB 3.31Å; S475-E477 PolarHBondContact OG-N 2.99Å | ||
| 476 | P | 40.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -1.1 | 174.7 | 34.8 | -35.9 | 0 | 0 | 0 | 113.8 | L478 | P476-L478 PolarHBondContact O-N 3.46Å; P476-L478 VanDerWaalsContact O-N 3.13Å |
| 477 | E | 40.7 | Very low | 37.3 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -59.7 | -26.5 | -172.9 | -155.9 | 78.3 | -176.2 | 0 | 0 | 113.9 | S475 R481 | S475-E477 VanDerWaalsContact C-N 3.27Å; S475-E477 PolarHBondContact O-N 3.3Å; S475-E477 WeakPolarHBondContact OG-CB 3.31Å; S475-E477 PolarHBondContact OG-N 2.99Å; E477-R481 WeakPolarHBondContact O-CG 3.35Å |
| 478 | L | 38.1 | Very low | 38.1 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81 | -46 | -169 | -163.9 | 67.8 | 0 | 0 | 0 | 112.8 | P476 H480 R481 V482 | P476-L478 PolarHBondContact O-N 3.46Å; P476-L478 VanDerWaalsContact O-N 3.13Å; L478-H480 VanDerWaalsContact C-N 3.32Å; L478-H480 PolarHBondContact O-N 2.9Å; L478-R481 PolarHBondContact O-N 3.33Å; L478-V482 WeakPolarHBondContact O-CG2 3.31Å; L478-V482 PolarHBondContact O-N 2.98Å; L478-V482 VanDerWaalsContact O-N 3.1Å |
| 479 | E | 43 | Very low | 37.9 | Very low | 161 Ų | 161 | 118.8 Ų | 118.8 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.8 | -40.3 | 179.9 | -66.6 | -175 | 118.3 | 0 | 0 | 111.4 | R481 V482 S483 | E479-R481 VanDerWaalsContact C-N 3.26Å; E479-R481 PolarHBondContact O-N 3.5Å; E479-V482 PolarHBondContact O-N 3.04Å; E479-S483 PolarHBondContact O-N 2.87Å; E479-S483 PolarHBondContact O-OG 3.36Å |
| 480 | H | 37.9 | Very low | 38.6 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 61% | 0.606 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.9 | -22.3 | 179.2 | -157 | -61.8 | 0 | 0 | 0 | 113.2 | L478 S483 | L478-H480 VanDerWaalsContact C-N 3.32Å; L478-H480 PolarHBondContact O-N 2.9Å; H480-S483 PolarHBondContact O-OG 2.96Å |
| 481 | R | 47.2 | Very low | 39.3 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -82.3 | -35.4 | 172.1 | -74.7 | 178.1 | 61.9 | -166.6 | -4.4 | 112.2 | E477 L478 E479 F485 | E477-R481 WeakPolarHBondContact O-CG 3.35Å; L478-R481 PolarHBondContact O-N 3.33Å; E479-R481 VanDerWaalsContact C-N 3.26Å; E479-R481 PolarHBondContact O-N 3.5Å; R481-F485 PolarHBondContact O-N 3.35Å |
| 482 | V | 45.1 | Very low | 40 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.2 | -40.5 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L478 E479 F485 N486 | L478-V482 WeakPolarHBondContact O-CG2 3.31Å; L478-V482 PolarHBondContact O-N 2.98Å; L478-V482 VanDerWaalsContact O-N 3.1Å; E479-V482 PolarHBondContact O-N 3.04Å; V482-F485 PolarHBondContact O-N 3.48Å; V482-N486 PolarHBondContact O-N 2.92Å; V482-N486 VanDerWaalsContact O-N 3.12Å |
| 483 | S | 43.1 | Very low | 40 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.2 | -43.9 | 176.2 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | E479 H480 F485 N486 Q487 | E479-S483 PolarHBondContact O-N 2.87Å; E479-S483 PolarHBondContact O-OG 3.36Å; H480-S483 PolarHBondContact O-OG 2.96Å; S483-F485 VanDerWaalsContact C-N 3.32Å; S483-F485 PolarHBondContact O-N 3.36Å; S483-N486 PolarHBondContact O-N 3.46Å; S483-Q487 PolarHBondContact O-N 2.71Å |
| 484 | L | 48.2 | Very low | 40.4 | Very low | 104 Ų | 104 | 120.2 Ų | 120.2 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.2 | -38.7 | 177.3 | -117.2 | 161.8 | 0 | 0 | 0 | 112.8 | K488 | L484-K488 WeakPolarHBondContact O-CB 3.25Å; L484-K488 PolarHBondContact O-N 3.34Å; L484-K488 VanDerWaalsContact O-N 3.16Å |
| 485 | F | 40.8 | Very low | 40.7 | Very low | 150 Ų | 150 | 119 Ų | 119 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.9 | -38 | 176.7 | -129.2 | -83.3 | 0 | 0 | 0 | 112.2 | R481 V482 S483 N489 | R481-F485 PolarHBondContact O-N 3.35Å; V482-F485 PolarHBondContact O-N 3.48Å; S483-F485 VanDerWaalsContact C-N 3.32Å; S483-F485 PolarHBondContact O-N 3.36Å; F485-N489 PolarHBondContact O-N 2.96Å |
| 486 | N | 41.2 | Very low | 40.8 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.8 | -40.6 | -179.8 | -138.8 | -24.5 | 0 | 0 | 0 | 111.8 | V482 S483 N489 Q490 | V482-N486 PolarHBondContact O-N 2.92Å; V482-N486 VanDerWaalsContact O-N 3.12Å; S483-N486 PolarHBondContact O-N 3.46Å; N486-N489 PolarHBondContact O-N 3.09Å; N486-Q490 PolarHBondContact O-N 3.2Å |
| 487 | Q | 42.1 | Very low | 40.3 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 53% | 0.528 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61.8 | -46.2 | 173.7 | -179 | 176 | -20.1 | 0 | 0 | 111.7 | S483 N489 Q490 E491 | S483-Q487 PolarHBondContact O-N 2.71Å; Q487-N489 PolarHBondContact O-N 3.4Å; Q487-Q490 PolarHBondContact O-N 3.26Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.37Å; Q487-E491 PolarHBondContact NE2-OE1 3.32Å; Q487-E491 PolarHBondContact O-N 3.35Å; Q487-E491 VanDerWaalsContact O-N 3.11Å |
| 488 | K | 40.4 | Very low | 39.9 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.2 | -30.9 | -179.7 | -168.9 | 171.1 | -177.6 | 178.2 | 0 | 113.1 | L484 G492 | L484-K488 WeakPolarHBondContact O-CB 3.25Å; L484-K488 PolarHBondContact O-N 3.34Å; L484-K488 VanDerWaalsContact O-N 3.16Å; K488-G492 PolarHBondContact O-N 2.95Å; K488-G492 VanDerWaalsContact O-N 3.13Å |
| 489 | N | 39.9 | Very low | 39.5 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72.8 | -28.1 | 174.1 | -76.4 | -9.2 | 0 | 0 | 0 | 113.5 | F485 N486 Q487 | F485-N489 PolarHBondContact O-N 2.96Å; N486-N489 PolarHBondContact O-N 3.09Å; Q487-N489 PolarHBondContact O-N 3.4Å |
| 490 | Q | 39.3 | Very low | 38.8 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.6 | -39.2 | 171.6 | -65.9 | -172.2 | 2.7 | 0 | 0 | 111.7 | N486 Q487 G492 F493 T494 | N486-Q490 PolarHBondContact O-N 3.2Å; Q487-Q490 PolarHBondContact O-N 3.26Å; Q490-G492 VanDerWaalsContact C-N 3.3Å; Q490-G492 PolarHBondContact O-N 3.2Å; Q490-F493 PolarHBondContact O-N 2.99Å; Q490-T494 WeakPolarHBondContact O-CG2 3.39Å; Q490-T494 PolarHBondContact O-OG1 3.48Å |
| 491 | E | 40.9 | Very low | 38.4 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 49% | 0.491 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.2 | -35.8 | 176.1 | -69 | 170.6 | -170.6 | 0 | 0 | 111.6 | Q487 F493 T494 | Q487-E491 WeakPolarHBondContact CG-OE1 3.37Å; Q487-E491 PolarHBondContact NE2-OE1 3.32Å; Q487-E491 PolarHBondContact O-N 3.35Å; Q487-E491 VanDerWaalsContact O-N 3.11Å; E491-F493 VanDerWaalsContact C-N 3.29Å; E491-F493 PolarHBondContact O-N 3.49Å; E491-T494 PolarHBondContact O-OG1 3.37Å |
| 492 | G | 38.5 | Very low | 37.6 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.4 | -23 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K488 Q490 | K488-G492 PolarHBondContact O-N 2.95Å; K488-G492 VanDerWaalsContact O-N 3.13Å; Q490-G492 VanDerWaalsContact C-N 3.3Å; Q490-G492 PolarHBondContact O-N 3.2Å |
| 493 | F | 35 | Very low | 36.6 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -0.4 | -176.5 | -100.1 | -85.5 | 0 | 0 | 0 | 115 | Q490 E491 | Q490-F493 PolarHBondContact O-N 2.99Å; E491-F493 VanDerWaalsContact C-N 3.29Å; E491-F493 PolarHBondContact O-N 3.49Å |
| 494 | T | 38.8 | Very low | 35.9 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -104.9 | -5.3 | -171.8 | 49 | 0 | 0 | 0 | 0 | 115 | Q490 E491 | Q490-T494 WeakPolarHBondContact O-CG2 3.39Å; Q490-T494 PolarHBondContact O-OG1 3.48Å; E491-T494 PolarHBondContact O-OG1 3.37Å |
| 495 | V | 42.2 | Very low | 35 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -108 | 28.2 | -169.3 | -160 | 0 | 0 | 0 | 0 | 113.9 | ||
| 496 | F | 34.4 | Very low | 34.5 | Very low | 180 Ų | 180 | 134 Ų | 134 | 79% | 0.789 | 68% | 0.678 | S | S | * | * | trans | -127.5 | 35.8 | 168.9 | -86.7 | -73.5 | 0 | 0 | 0 | 114.4 | I498 | F496-I498 HydrophobicContact CD1-CD1 3.85Å; F496-I498 HydrophobicContact CD1-CG1 4.14Å; F496-I498 HydrophobicContact CE1-CD1 3.98Å; F496-I498 PolarHBondContact O-N 3.02Å | ||
| 497 | Q | 29.3 | Very low | 34 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -77.4 | 65.4 | 158.3 | -84 | -77.9 | 5.9 | 0 | 0 | 110.8 | R499 | Q497-R499 PolarHBondContact O-N 3.36Š| ||
| 498 | I | 32.2 | Very low | 33.5 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | trans | -72.2 | 88.9 | 168.3 | -61.6 | -178.9 | 0 | 0 | 0 | 107.9 | F496 P500 | F496-I498 HydrophobicContact CD1-CD1 3.85Å; F496-I498 HydrophobicContact CD1-CG1 4.14Å; F496-I498 HydrophobicContact CE1-CD1 3.98Å; F496-I498 PolarHBondContact O-N 3.02Å; I498-P500 WeakPolarHBondContact O-CD 3.42Å | ||
| 499 | R | 29 | Very low | 33.5 | Very low | 202 Ų | 202 | 131 Ų | 131 | 76% | 0.762 | 69% | 0.686 | S | S | * | * | trans | -51.7 | 117.2 | 172.2 | -177.5 | -175.8 | -168.1 | 171.8 | 4.4 | 109.4 | Q497 V501 | Q497-R499 PolarHBondContact O-N 3.36Å; R499-V501 HydrophobicContact CG-CG2 4.31Å; R499-V501 PolarHBondContact O-N 3.42Å | ||
| 500 | P | 28.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -70.3 | 95.7 | 177.8 | 27.4 | -33.4 | 0 | 0 | 0 | 109.7 | I498 I502 | I498-P500 WeakPolarHBondContact O-CD 3.42Å; P500-I502 PolarHBondContact O-N 2.8Å | ||
| 501 | V | 30.2 | Very low | 33.4 | Very low | 125 Ų | 125 | 129 Ų | 129 | 76% | 0.758 | 68% | 0.683 | S | S | * | * | trans | -81.2 | 59.2 | 172.4 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | R499 | R499-V501 HydrophobicContact CG-CG2 4.31Å; R499-V501 PolarHBondContact O-N 3.42Å | ||
| 502 | I | 30.6 | Very low | 33.2 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | trans | -102.4 | 99.7 | 157.4 | -54 | -179.3 | 0 | 0 | 0 | 105.8 | P500 F504 | P500-I502 PolarHBondContact O-N 2.8Å; I502-F504 HydrophobicContact CB-CD2 4.39Å; I502-F504 HydrophobicContact CG2-CD2 3.46Å; I502-F504 VanDerWaalsContact CG2-CD2 3.46Å; I502-F504 HydrophobicContact CG2-CE2 3.6Å; I502-F504 HydrophobicContact CG2-CG 4.29Å; I502-F504 PolarHBondContact O-N 3.22Å | ||
| 503 | H | 25 | Very low | 33.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 73% | 0.731 | 69% | 0.69 | S | S | * | * | trans | -75.5 | 72.7 | 173.5 | -174.3 | 70.1 | 0 | 0 | 0 | 109.9 | Q505 | H503-Q505 PolarHBondContact O-N 3.43Š| ||
| 504 | F | 28.3 | Very low | 33.4 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 77% | 0.772 | 68% | 0.678 | S | S | * | * | trans | -63.6 | 105.1 | 160.6 | -90.3 | -70.1 | 0 | 0 | 0 | 108 | I502 P506 | I502-F504 HydrophobicContact CB-CD2 4.39Å; I502-F504 HydrophobicContact CG2-CD2 3.46Å; I502-F504 VanDerWaalsContact CG2-CD2 3.46Å; I502-F504 HydrophobicContact CG2-CE2 3.6Å; I502-F504 HydrophobicContact CG2-CG 4.29Å; I502-F504 PolarHBondContact O-N 3.22Å; F504-P506 VanDerWaalsContact O-CD 3.28Å; F504-P506 WeakPolarHBondContact O-CD 3.1Å | ||
| 505 | Q | 29.5 | Very low | 33.3 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 64% | 0.64 | 68% | 0.679 | S | S | * | * | trans | -74.2 | 113.9 | 173.1 | -174.7 | -170.7 | 69.5 | 0 | 0 | 108.9 | H503 T507 | H503-Q505 PolarHBondContact O-N 3.43Å; Q505-T507 VanDerWaalsContact CD-OG1 3.28Å; Q505-T507 VanDerWaalsContact CG-OG1 3.31Å; Q505-T507 WeakPolarHBondContact CG-OG1 3.26Å; Q505-T507 PolarHBondContact O-N 3.34Å; Q505-T507 PolarHBondContact OE1-OG1 3.14Å | ||
| 506 | P | 29.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | trans | -83.9 | 81.2 | 179.9 | 33.9 | -32 | 0 | 0 | 0 | 109.9 | F504 V508 | F504-P506 VanDerWaalsContact O-CD 3.28Å; F504-P506 WeakPolarHBondContact O-CD 3.1Å; P506-V508 PolarHBondContact O-N 2.9Å | ||
| 507 | T | 29.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 61% | 0.613 | 67% | 0.668 | S | S | * | * | trans | -80.4 | 49.6 | -174.8 | -51.8 | 0 | 0 | 0 | 0 | 113.3 | Q505 | Q505-T507 VanDerWaalsContact CD-OG1 3.28Å; Q505-T507 VanDerWaalsContact CG-OG1 3.31Å; Q505-T507 WeakPolarHBondContact CG-OG1 3.26Å; Q505-T507 PolarHBondContact O-N 3.34Å; Q505-T507 PolarHBondContact OE1-OG1 3.14Å | ||
| 508 | V | 32.6 | Very low | 33.9 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | trans | -142.3 | 105.2 | 156.8 | -175.2 | 0 | 0 | 0 | 0 | 106 | P506 | P506-V508 PolarHBondContact O-N 2.9Š| ||
| 509 | P | 39.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 66% | 0.66 | S | S | * | * | S | Bend | -138.6 | 82.6 | 95.9 | 35.8 | -21.1 | 0 | 0 | 0 | 112.3 | |||
| 510 | V | 37.4 | Very low | 34.6 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 67% | 0.673 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -136.3 | 22.3 | 171.7 | -160.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 511 | L | 39.7 | Very low | 35.2 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 45% | 0.45 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -123.8 | -32 | -174.2 | -104.4 | 157.3 | 0 | 0 | 0 | 114.4 | D513 K514 F515 | L511-D513 VanDerWaalsContact C-N 3.32Å; L511-D513 PolarHBondContact O-N 3.06Å; L511-K514 PolarHBondContact O-N 3.08Å; L511-K514 VanDerWaalsContact O-N 3.08Å; L511-F515 HydrophobicContact CD2-CD2 4.08Å; L511-F515 HydrophobicContact CD2-CE2 3.71Å; L511-F515 PolarHBondContact O-N 2.94Å |
| 512 | E | 37.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 130 Ų | 130 | 62% | 0.621 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -47.2 | -51.3 | 166.4 | -101 | 58.9 | -148.2 | 0 | 0 | 112.7 | K514 F515 R516 | E512-K514 PolarHBondContact O-N 3.1Å; E512-F515 PolarHBondContact O-N 3.21Å; E512-R516 WeakPolarHBondContact O-CB 3.49Å; E512-R516 PolarHBondContact O-N 3.4Å |
| 513 | D | 38.5 | Very low | 35.9 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66 | -27 | -177.7 | -73 | -38.4 | 0 | 0 | 0 | 112.9 | L511 S517 | L511-D513 VanDerWaalsContact C-N 3.32Å; L511-D513 PolarHBondContact O-N 3.06Å; D513-S517 WeakPolarHBondContact O-CB 3.44Å; D513-S517 PolarHBondContact O-N 3.49Å; D513-S517 VanDerWaalsContact O-N 3.09Å |
| 514 | K | 40.1 | Very low | 36.4 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -78.4 | -37.1 | 175.2 | -78.7 | -169.6 | 173.1 | -178.5 | 0 | 112.6 | L511 E512 S517 L518 | L511-K514 PolarHBondContact O-N 3.08Å; L511-K514 VanDerWaalsContact O-N 3.08Å; E512-K514 PolarHBondContact O-N 3.1Å; K514-S517 PolarHBondContact O-N 3.45Å; K514-L518 WeakPolarHBondContact O-CG 3.15Å; K514-L518 PolarHBondContact O-N 3Å |
| 515 | F | 36.9 | Very low | 36.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 62% | 0.618 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.1 | -42.5 | 173.1 | -79.2 | -64.4 | 0 | 0 | 0 | 111.9 | L511 E512 S517 L518 E519 | L511-F515 HydrophobicContact CD2-CD2 4.08Å; L511-F515 HydrophobicContact CD2-CE2 3.71Å; L511-F515 PolarHBondContact O-N 2.94Å; E512-F515 PolarHBondContact O-N 3.21Å; F515-S517 PolarHBondContact O-N 2.98Å; F515-L518 PolarHBondContact O-N 2.93Å; F515-E519 PolarHBondContact O-N 3.26Å |
| 516 | R | 37.3 | Very low | 37.4 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 70% | 0.698 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -60.4 | -31.3 | 173 | -172.6 | 171.1 | -71.1 | -169.4 | -0.3 | 112.8 | E512 S520 | E512-R516 WeakPolarHBondContact O-CB 3.49Å; E512-R516 PolarHBondContact O-N 3.4Å; R516-S520 WeakPolarHBondContact O-CB 3.15Å; R516-S520 PolarHBondContact O-OG 3.23Å |
| 517 | S | 36.9 | Very low | 37.6 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -78.8 | -11.7 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 114.8 | D513 K514 F515 | D513-S517 WeakPolarHBondContact O-CB 3.44Å; D513-S517 PolarHBondContact O-N 3.49Å; D513-S517 VanDerWaalsContact O-N 3.09Å; K514-S517 PolarHBondContact O-N 3.45Å; F515-S517 PolarHBondContact O-N 2.98Å |
| 518 | L | 43 | Very low | 38.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 58% | 0.581 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -97.1 | -46.2 | 175.8 | -78.7 | 165.9 | 0 | 0 | 0 | 111.4 | K514 F515 S520 K521 | K514-L518 WeakPolarHBondContact O-CG 3.15Å; K514-L518 PolarHBondContact O-N 3Å; F515-L518 PolarHBondContact O-N 2.93Å; L518-S520 PolarHBondContact O-N 3.46Å; L518-K521 WeakPolarHBondContact O-CB 3.3Å; L518-K521 PolarHBondContact O-N 3.12Å |
| 519 | E | 38.1 | Very low | 38.7 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -57.9 | -37.5 | 177.3 | -171 | 175.4 | -158.7 | 0 | 0 | 112 | F515 K521 | F515-E519 PolarHBondContact O-N 3.26Å; E519-K521 PolarHBondContact O-N 3.11Å; E519-K521 VanDerWaalsContact O-N 3.16Å |
| 520 | S | 38 | Very low | 38.6 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -71.1 | -2 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | R516 L518 | R516-S520 WeakPolarHBondContact O-CB 3.15Å; R516-S520 PolarHBondContact O-OG 3.23Å; L518-S520 PolarHBondContact O-N 3.46Å |
| 521 | K | 41.1 | Very low | 38.6 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -110.7 | -16 | -177.9 | -157.8 | 169.1 | -176.5 | 178.3 | 0 | 114.6 | L518 E519 | L518-K521 WeakPolarHBondContact O-CB 3.3Å; L518-K521 PolarHBondContact O-N 3.12Å; E519-K521 PolarHBondContact O-N 3.11Å; E519-K521 VanDerWaalsContact O-N 3.16Å |
| 522 | E | 38.6 | Very low | 38.6 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | H | α-helix | trans | -90 | -12.4 | -177.4 | -148 | 165.1 | 148.3 | 0 | 0 | 113.8 | K524 | E522-K524 PolarHBondContact O-N 2.89Å |
| 523 | Q | 36.9 | Very low | 38.6 | Very low | 188 Ų | 188 | 156.1 Ų | 156.1 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -94.6 | 33.2 | -177.2 | -148 | -178.1 | 27.2 | 0 | 0 | 115.3 | ||
| 524 | K | 36.1 | Very low | 38.6 | Very low | 194 Ų | 194 | 157.9 Ų | 157.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -147.2 | 43.6 | 176.4 | -151.7 | -178.2 | 178.9 | 177.7 | 0 | 116.1 | E522 | E522-K524 PolarHBondContact O-N 2.89Š|
| 525 | L | 38.4 | Very low | 38.6 | Very low | 170 Ų | 170 | 158.8 Ų | 158.8 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -136.8 | 42.3 | 172 | -148.4 | 82.1 | 0 | 0 | 0 | 115.6 | ||||
| 526 | H | 39.1 | Very low | 38.7 | Very low | 176 Ų | 176 | 159.9 Ų | 159.9 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -143.2 | 81.3 | 162.5 | -147.1 | -88.1 | 0 | 0 | 0 | 113.7 | ||||
| 527 | R | 34.8 | Very low | 38.7 | Very low | 239 Ų | 239 | 158.2 Ų | 158.2 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -133.6 | 110.5 | 158.5 | 175.2 | 169 | -85.3 | 179.6 | -6.7 | 108.6 | ||||
| 528 | V | 43.2 | Very low | 38.9 | Very low | 110 Ų | 110 | 163.9 Ų | 163.9 | 67% | 0.667 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 135.9 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 529 | P | 41.6 | Very low | 38.6 | Very low | 115 Ų | 115 | 167.9 Ų | 167.9 | 75% | 0.747 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 142 | 164.4 | -3.5 | 21.9 | 0 | 0 | 0 | 110.7 | ||
| 530 | E | 36.7 | Very low | 38.6 | Very low | 201 Ų | 201 | 168.4 Ų | 168.4 | 94% | 0.939 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137 | 169 | -65.9 | 168.6 | 108.7 | 0 | 0 | 111 | ||
| 531 | A | 38.6 | Very low | 38.7 | Very low | 179 Ų | 179 | 175.1 Ų | 175.1 | 100% | 1.479 | 89% | 0.887 | S | S | * | * | trans | -158.7 | 0 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 531 of 531 residues in 907.2 ms
(Link to these results)