| 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 | 54.8 | Low | 48.7 | Very low | 234 Ų | 234 | 134 Ų | 134 | 100% | 1.153 | 81% | 0.814 | S | S | * | * | 0 | 101.9 | 0 | -50.8 | 73.6 | 163.4 | 0 | 0 | 105.3 | |||||
| 2 | N | 43.5 | Very low | 48.4 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | cis | 88.8 | 124.7 | 33.1 | -150.5 | 6.5 | 0 | 0 | 0 | 113.5 | ||||
| 3 | Y | 45.1 | Very low | 48.3 | Very low | 216 Ų | 216 | 136.2 Ų | 136.2 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | 65.8 | 145.4 | -174.3 | -53.6 | -78.7 | 0 | 0 | 0 | 117 | ||||
| 4 | G | 47.5 | Very low | 47.8 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | cis | 166.4 | 157.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | P | 60.2 | Low | 47.1 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -114.4 | -160.7 | -154.9 | 43.6 | -34.6 | 0 | 0 | 0 | 115.4 | ||||
| 6 | S | 50.5 | Low | 46.7 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | 104.2 | 143 | 173.6 | -70.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 7 | S | 50.6 | Low | 45.9 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | cis | -170.9 | 146.2 | -3.3 | 43.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 8 | G | 45.5 | Very low | 45.5 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 76.5 | 158.3 | 150 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 9 | A | 48.9 | Very low | 45 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | cis | -169.1 | 143.6 | -8.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | Y | 44.4 | Very low | 44.4 | Very low | 242 Ų | 242 | 137.9 Ų | 137.9 | 95% | 0.949 | 82% | 0.823 | S | S | * | * | trans | 34.6 | 136.9 | 150.6 | -67.2 | -102.4 | 0 | 0 | 0 | 121 | ||||
| 11 | G | 44.8 | Very low | 44.4 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | cis | 168.3 | 169.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | P | 44.9 | Very low | 43.5 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -114.6 | 138.9 | 175.2 | 36.9 | -26.2 | 0 | 0 | 0 | 113.3 | ||||
| 13 | D | 46.7 | Very low | 43.5 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | 177.3 | 152.8 | 148 | -111.3 | -41.8 | 0 | 0 | 0 | 114.4 | ||||
| 14 | G | 42.4 | Very low | 43.2 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 66.5 | 143.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 15 | G | 37.3 | Very low | 42.6 | Very low | 64 Ų | 64 | 131.1 Ų | 131.1 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | cis | 132.2 | 86.1 | 7.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 16 | Q | 40.1 | Very low | 41.8 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -177.6 | 116.5 | 164.3 | -102.8 | 149.9 | 90.6 | 0 | 0 | 106.7 | ||||
| 17 | A | 33.4 | Very low | 41.2 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | cis | 69.7 | 75.8 | 38.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 18 | L | 39.2 | Very low | 40.4 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -130.2 | 98.1 | 158.1 | -105.1 | 167.8 | 0 | 0 | 0 | 109.9 | ||||
| 19 | L | 34.5 | Very low | 40 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -71.7 | 153.7 | 160.4 | -74.2 | 156.2 | 0 | 0 | 0 | 109.4 | ||||
| 20 | Y | 33.7 | Very low | 39.3 | Very low | 222 Ų | 222 | 141.9 Ų | 141.9 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | 150.8 | 141.5 | 143.9 | -100.3 | -117.2 | 0 | 0 | 0 | 109 | ||||
| 21 | T | 44 | Very low | 39 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 66% | 0.656 | 82% | 0.818 | S | S | * | * | cis | -155.9 | 151.3 | -20.8 | -93.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 22 | K | 37.2 | Very low | 38.3 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -84.1 | 127.3 | -176.9 | -168.6 | -170 | -169.2 | -174.6 | 0 | 111.7 | ||||
| 23 | H | 42.5 | Very low | 37.7 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | trans | -158.5 | 137.6 | 162.6 | -116.4 | -93.7 | 0 | 0 | 0 | 108.2 | ||||
| 24 | G | 39.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | -160.4 | 170.8 | -7.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | G | 33.8 | Very low | 36.4 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -133.6 | 151.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 26 | M | 44 | Very low | 36.1 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | trans | -141.4 | 122 | 157.5 | -67.3 | -174.8 | 179.1 | 0 | 0 | 104.5 | ||||
| 27 | Q | 38.3 | Very low | 35.9 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | 50 | 137.1 | 74.9 | -75.9 | -150 | -6.2 | 0 | 0 | 113.8 | |||||
| 28 | A | 33.6 | Very low | 36 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 64% | 0.636 | 83% | 0.833 | S | S | * | * | cis | -168.5 | -172.7 | -11.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | Q | 37.9 | Very low | 35.7 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | 79.7 | 104.9 | 175.5 | -53.1 | 174.3 | -0.7 | 0 | 0 | 113.6 | ||||
| 30 | A | 33.2 | Very low | 35.5 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | cis | 82.8 | 89.2 | 48.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 31 | I | 37.9 | Very low | 35.6 | Very low | 175 Ų | 175 | 123.9 Ų | 123.9 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -131.5 | 120.2 | 150.1 | -60.5 | -178.8 | 0 | 0 | 0 | 106.4 | ||||
| 32 | A | 30 | Very low | 35 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -113.8 | 120 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | A | 31.9 | Very low | 34.8 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -164 | 151.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 34 | A | 31.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | 63.8 | 62.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 35 | A | 31 | Very low | 34.1 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -118.1 | 74.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 36 | A | 31.5 | Very low | 34.3 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -142.5 | 31.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 37 | T | 35.4 | Very low | 33.7 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -151.1 | 51.2 | 178.9 | 36.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 38 | A | 35 | Very low | 33.6 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -153.4 | 52.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 39 | G | 32.8 | Very low | 33.6 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -97.6 | 141.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 40 | G | 31.1 | Very low | 33.6 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | cis | -161.4 | -177 | -7.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 41 | S | 36.4 | Very low | 34 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | cis | -143.7 | 144.8 | 7.7 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 42 | L | 30.7 | Very low | 34.1 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -66.8 | 139 | 167.1 | -66.3 | 162.5 | 0 | 0 | 0 | 109.1 | ||||
| 43 | Y | 33.8 | Very low | 34.9 | Very low | 222 Ų | 222 | 122 Ų | 122 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -136 | 107.5 | 154.4 | -153.9 | -87 | 0 | 0 | 0 | 108.4 | ||||
| 44 | V | 35.3 | Very low | 35.9 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | trans | -102.1 | 128.5 | 167.3 | -79.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 45 | D | 31.3 | Very low | 36.8 | Very low | 149 Ų | 149 | 119.8 Ų | 119.8 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | -174.4 | 158.3 | 126.4 | -126.7 | -65.5 | 0 | 0 | 0 | 114.3 | |||||
| 46 | A | 36.6 | Very low | 37.7 | Very low | 64 Ų | 64 | 120.3 Ų | 120.3 | 53% | 0.529 | 75% | 0.745 | S | S | . | * | trans | 56 | 92.2 | 154 | 0 | 0 | 0 | 0 | 0 | 122.1 | F48 | A46-F48 PolarHBondContact O-N 3.25Š| ||
| 47 | D | 33.2 | Very low | 38.9 | Very low | 158 Ų | 158 | 119.8 Ų | 119.8 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | 48.9 | 53.5 | 117.1 | -70.4 | -53.4 | 0 | 0 | 0 | 121 | |||||
| 48 | F | 36.2 | Very low | 39.9 | Very low | 190 Ų | 190 | 119.1 Ų | 119.1 | 83% | 0.833 | 72% | 0.722 | S | S | * | * | trans | -139.7 | 117.4 | 155.3 | -80.6 | -75.2 | 0 | 0 | 0 | 113.3 | A46 L50 | A46-F48 PolarHBondContact O-N 3.25Å; F48-L50 VanDerWaalsContact C-N 3.31Å; F48-L50 PolarHBondContact O-N 2.98Å | ||
| 49 | G | 33.7 | Very low | 41 | Very low | 92 Ų | 92 | 117.1 Ų | 117.1 | 95% | 0.948 | 70% | 0.697 | S | S | * | * | trans | -73.2 | 76.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 50 | L | 37.9 | Very low | 42.2 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 52% | 0.518 | 68% | 0.676 | S | S | . | * | trans | -96.5 | 137.1 | 164.3 | -72.3 | 170.2 | 0 | 0 | 0 | 109.4 | F48 F52 | F48-L50 VanDerWaalsContact C-N 3.31Å; F48-L50 PolarHBondContact O-N 2.98Å; L50-F52 HydrophobicContact CB-CD2 4.07Å; L50-F52 HydrophobicContact CB-CE2 4.04Å; L50-F52 HydrophobicContact CD1-CE2 4.48Å; L50-F52 PolarHBondContact O-N 3.45Å | ||
| 51 | D | 40.1 | Very low | 43.7 | Very low | 155 Ų | 155 | 115.9 Ų | 115.9 | 83% | 0.829 | 66% | 0.655 | S | S | * | * | trans | -66.4 | 74.9 | 171.9 | -117 | -61 | 0 | 0 | 0 | 109.7 | A53 | D51-A53 PolarHBondContact O-N 3.39Š| ||
| 52 | F | 40.1 | Very low | 45.1 | Very low | 175 Ų | 175 | 117.3 Ų | 117.3 | 77% | 0.768 | 64% | 0.643 | S | S | * | * | trans | -69.2 | 80.3 | 163.6 | -81.7 | -86.3 | 0 | 0 | 0 | 107.8 | L50 P54 | L50-F52 HydrophobicContact CB-CD2 4.07Å; L50-F52 HydrophobicContact CB-CE2 4.04Å; L50-F52 HydrophobicContact CD1-CE2 4.48Å; L50-F52 PolarHBondContact O-N 3.45Å; F52-P54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | A | 48.1 | Very low | 46.4 | Very low | 51 Ų | 51 | 110.8 Ų | 110.8 | 42% | 0.421 | 61% | 0.61 | S | S | . | * | trans | -46.4 | 122.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | D51 A55 | D51-A53 PolarHBondContact O-N 3.39Å; A53-A55 PolarHBondContact O-N 3.03Å | ||
| 54 | P | 53.2 | Low | 47.6 | Very low | 67 Ų | 67 | 108.3 Ų | 108.3 | 44% | 0.435 | 60% | 0.601 | S | S | . | * | trans | -56.8 | 147 | -172.4 | 22.8 | -32.4 | 0 | 0 | 0 | 108.3 | F52 E56 T57 | F52-P54 VanDerWaalsContact O-N 3.13Å; P54-E56 HydrophobicContact CB-CB 4.29Å; P54-E56 HydrophobicContact CG-CB 4.48Å; P54-E56 CarbonylContact O-C 3.51Å; P54-E56 PolarHBondContact O-N 2.84Å; P54-T57 WeakPolarHBondContact CD-OG1 3.31Å; P54-T57 WeakPolarHBondContact CG-OG1 3.48Å; P54-T57 PolarHBondContact O-N 3.26Å | ||
| 55 | A | 49.3 | Very low | 48.7 | Very low | 83 Ų | 83 | 109.1 Ų | 109.1 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -51 | -30.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A53 T57 L58 L59 | A53-A55 PolarHBondContact O-N 3.03Å; A55-T57 PolarHBondContact O-N 3.33Å; A55-L58 PolarHBondContact O-N 2.8Å; A55-L59 VanDerWaalsContact O-CB 3.31Å; A55-L59 WeakPolarHBondContact O-CB 3.35Å; A55-L59 PolarHBondContact O-N 3.01Å |
| 56 | E | 49.9 | Very low | 49.8 | Very low | 122 Ų | 122 | 107.1 Ų | 107.1 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -49.1 | -41.6 | 167.6 | -57.6 | -170.5 | 142.1 | 0 | 0 | 115.7 | P54 L59 K60 | P54-E56 HydrophobicContact CB-CB 4.29Å; P54-E56 HydrophobicContact CG-CB 4.48Å; P54-E56 CarbonylContact O-C 3.51Å; P54-E56 PolarHBondContact O-N 2.84Å; E56-L59 PolarHBondContact O-N 3.02Å; E56-K60 WeakPolarHBondContact O-CB 3.39Å; E56-K60 WeakPolarHBondContact O-CG 3.45Å; E56-K60 PolarHBondContact O-N 3.04Å |
| 57 | T | 56.6 | Low | 50.4 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.8 | -39.3 | -178.5 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | P54 A55 G61 | P54-T57 WeakPolarHBondContact CD-OG1 3.31Å; P54-T57 WeakPolarHBondContact CG-OG1 3.48Å; P54-T57 PolarHBondContact O-N 3.26Å; A55-T57 PolarHBondContact O-N 3.33Å; T57-G61 PolarHBondContact O-N 3.31Å |
| 58 | L | 56.9 | Low | 51.2 | Low | 133 Ų | 133 | 106.8 Ų | 106.8 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.1 | -39.8 | 173.5 | -82.2 | 164.7 | 0 | 0 | 0 | 111.4 | A55 G61 Y62 | A55-L58 PolarHBondContact O-N 2.8Å; L58-G61 PolarHBondContact O-N 3.06Å; L58-Y62 PolarHBondContact O-N 3.11Å |
| 59 | L | 57.6 | Low | 51.9 | Low | 59 Ų | 59 | 102.6 Ų | 102.6 | 31% | 0.309 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -44.2 | 176.3 | -155.5 | 75.9 | 0 | 0 | 0 | 111.4 | A55 E56 G61 Y62 C63 C465 F469 | A55-L59 VanDerWaalsContact O-CB 3.31Å; A55-L59 WeakPolarHBondContact O-CB 3.35Å; A55-L59 PolarHBondContact O-N 3.01Å; E56-L59 PolarHBondContact O-N 3.02Å; L59-G61 PolarHBondContact O-N 3.24Å; L59-Y62 PolarHBondContact O-N 2.89Å; L59-C63 VanDerWaalsContact O-CB 3.25Å; L59-C63 WeakPolarHBondContact O-CB 3.49Å; L59-C63 PolarHBondContact O-N 3.09Å; L59-C465 HydrophobicContact CD2-CB 4.32Å; L59-F469 HydrophobicContact CD1-CD2 4.38Å |
| 60 | K | 57.7 | Low | 52.4 | Low | 102 Ų | 102 | 102.4 Ų | 102.4 | 44% | 0.443 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57 | -47.2 | 172.1 | -80.4 | 175.5 | 177.7 | -174.8 | 0 | 111.1 | E56 C63 Y64 I462 | E56-K60 WeakPolarHBondContact O-CB 3.39Å; E56-K60 WeakPolarHBondContact O-CG 3.45Å; E56-K60 PolarHBondContact O-N 3.04Å; K60-C63 PolarHBondContact O-N 3.49Å; K60-Y64 WeakPolarHBondContact O-CB 3.33Å; K60-Y64 PolarHBondContact O-N 3.48Å; K60-I462 VanDerWaalsContact CE-CD1 3.44Å |
| 61 | G | 63.1 | Low | 52.6 | Low | 39 Ų | 39 | 103.2 Ų | 103.2 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.2 | -50.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T57 L58 L59 Y64 E65 | T57-G61 PolarHBondContact O-N 3.31Å; L58-G61 PolarHBondContact O-N 3.06Å; L59-G61 PolarHBondContact O-N 3.24Å; G61-Y64 PolarHBondContact O-N 3.26Å; G61-E65 PolarHBondContact O-N 3.24Å |
| 62 | Y | 65.8 | Low | 52.7 | Low | 150 Ų | 150 | 104 Ų | 104 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -43.3 | 178.5 | -177.4 | -101.7 | 0 | 0 | 0 | 112.4 | L58 L59 E65 Q66 | L58-Y62 PolarHBondContact O-N 3.11Å; L59-Y62 PolarHBondContact O-N 2.89Å; Y62-E65 PolarHBondContact O-N 3.02Å; Y62-Q66 HydrophobicContact CE1-CG 4.21Å; Y62-Q66 PolarHBondContact O-N 3.13Å; Y62-Q66 VanDerWaalsContact O-N 3.16Å |
| 63 | C | 57.4 | Low | 52.7 | Low | 19 Ų | 19 | 104.4 Ų | 104.4 | 13% | 0.128 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -66.7 | -39.6 | 177.5 | -84.3 | 0 | 0 | 0 | 0 | 113.6 | L59 K60 E65 Q66 Y67 C465 | L59-C63 VanDerWaalsContact O-CB 3.25Å; L59-C63 WeakPolarHBondContact O-CB 3.49Å; L59-C63 PolarHBondContact O-N 3.09Å; K60-C63 PolarHBondContact O-N 3.49Å; C63-E65 VanDerWaalsContact C-N 3.31Å; C63-E65 PolarHBondContact O-N 3.36Å; C63-Q66 PolarHBondContact O-N 3.35Å; C63-Y67 WeakPolarHBondContact O-CB 3.5Å; C63-Y67 PolarHBondContact O-N 2.95Å; C63-C465 HydrophobicContact CB-CB 4.25Å; C63-C465 WeakPolarHBondContact CB-SG 3.23Å; C63-C465 WeakPolarHBondContact SG-CB 3.09Å; C63-C465 CovalentContact SG-SG 2.01Å; C63-C465 PolarHBondContact SG-SG 3.08Å |
| 64 | Y | 60.3 | Low | 52.3 | Low | 170 Ų | 170 | 106 Ų | 106 | 67% | 0.667 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.2 | -36.3 | 178.4 | -149.9 | -82.9 | 0 | 0 | 0 | 111.2 | K60 G61 A68 | K60-Y64 WeakPolarHBondContact O-CB 3.33Å; K60-Y64 PolarHBondContact O-N 3.48Å; G61-Y64 PolarHBondContact O-N 3.26Å; Y64-A68 WeakPolarHBondContact O-CB 2.86Å; Y64-A68 PolarHBondContact O-N 3.32Å |
| 65 | E | 59 | Low | 51.7 | Low | 135 Ų | 135 | 111.3 Ų | 111.3 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.4 | -46 | 171 | -80.2 | -166.7 | 102.2 | 0 | 0 | 112.2 | G61 Y62 C63 A68 T69 | G61-E65 PolarHBondContact O-N 3.24Å; Y62-E65 PolarHBondContact O-N 3.02Å; C63-E65 VanDerWaalsContact C-N 3.31Å; C63-E65 PolarHBondContact O-N 3.36Å; E65-A68 PolarHBondContact O-N 2.9Å; E65-T69 WeakPolarHBondContact O-CG2 3.48Å; E65-T69 PolarHBondContact O-N 3.1Å; E65-T69 PolarHBondContact O-OG1 2.87Å |
| 66 | Q | 53.6 | Low | 51.1 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -43.6 | 177.7 | -68.9 | -61.6 | -57.4 | 0 | 0 | 112.2 | Y62 C63 T69 | Y62-Q66 HydrophobicContact CE1-CG 4.21Å; Y62-Q66 PolarHBondContact O-N 3.13Å; Y62-Q66 VanDerWaalsContact O-N 3.16Å; C63-Q66 PolarHBondContact O-N 3.35Å; Q66-T69 PolarHBondContact O-N 3.32Å; Q66-T69 PolarHBondContact O-OG1 2.84Å |
| 67 | Y | 48 | Very low | 50.2 | Low | 140 Ų | 140 | 112.6 Ų | 112.6 | 55% | 0.549 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.4 | -41.7 | 178.5 | -136.8 | -95.1 | 0 | 0 | 0 | 111.4 | C63 T69 T70 V461 | C63-Y67 WeakPolarHBondContact O-CB 3.5Å; C63-Y67 PolarHBondContact O-N 2.95Å; Y67-T69 VanDerWaalsContact C-N 3.29Å; Y67-T69 PolarHBondContact O-N 2.79Å; Y67-T70 VanDerWaalsContact O-CB 3.31Å; Y67-T70 WeakPolarHBondContact O-CB 3.47Å; Y67-T70 PolarHBondContact O-N 3.14Å; Y67-T70 PolarHBondContact O-OG1 3.18Å; Y67-V461 HydrophobicContact CE2-CG2 4.38Å |
| 68 | A | 51.3 | Low | 49.2 | Very low | 75 Ų | 75 | 117.9 Ų | 117.9 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.7 | -24.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y64 E65 T70 | Y64-A68 WeakPolarHBondContact O-CB 2.86Å; Y64-A68 PolarHBondContact O-N 3.32Å; E65-A68 PolarHBondContact O-N 2.9Å; A68-T70 VanDerWaalsContact C-N 3.26Å; A68-T70 PolarHBondContact O-N 3.37Å |
| 69 | T | 50.7 | Low | 48.2 | Very low | 103 Ų | 103 | 117.1 Ų | 117.1 | 63% | 0.632 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -5.9 | 171.4 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | E65 Q66 Y67 | E65-T69 WeakPolarHBondContact O-CG2 3.48Å; E65-T69 PolarHBondContact O-N 3.1Å; E65-T69 PolarHBondContact O-OG1 2.87Å; Q66-T69 PolarHBondContact O-N 3.32Å; Q66-T69 PolarHBondContact O-OG1 2.84Å; Y67-T69 VanDerWaalsContact C-N 3.29Å; Y67-T69 PolarHBondContact O-N 2.79Å |
| 70 | T | 43.3 | Very low | 47.3 | Very low | 88 Ų | 88 | 120 Ų | 120 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -79.2 | 121.9 | 172.7 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | Y67 A68 Q72 | Y67-T70 VanDerWaalsContact O-CB 3.31Å; Y67-T70 WeakPolarHBondContact O-CB 3.47Å; Y67-T70 PolarHBondContact O-N 3.14Å; Y67-T70 PolarHBondContact O-OG1 3.18Å; A68-T70 VanDerWaalsContact C-N 3.26Å; A68-T70 PolarHBondContact O-N 3.37Å; T70-Q72 PolarHBondContact O-N 3.08Å |
| 71 | P | 42 | Very low | 46.2 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | trans | -67.4 | 104.6 | -178.2 | 26.5 | -33.6 | 0 | 0 | 0 | 110.6 | Q73 | P71-Q73 PolarHBondContact O-N 3.35Š| ||
| 72 | Q | 43.6 | Very low | 45.3 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | trans | -61.4 | 108.8 | 167 | -73.6 | -166.4 | 3.5 | 0 | 0 | 108.8 | T70 T74 | T70-Q72 PolarHBondContact O-N 3.08Å; Q72-T74 PolarHBondContact O-N 3.45Å | ||
| 73 | Q | 40.3 | Very low | 44 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -70.4 | 83.3 | 161 | -76 | -169.2 | -4.7 | 0 | 0 | 108.7 | P71 H75 | P71-Q73 PolarHBondContact O-N 3.35Å; Q73-H75 PolarHBondContact O-N 2.81Å; Q73-H75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | T | 38.9 | Very low | 43 | Very low | 84 Ų | 84 | 136.3 Ų | 136.3 | 52% | 0.515 | 72% | 0.717 | S | S | . | * | trans | -56.5 | 112.1 | 166.5 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | Q72 H76 | Q72-T74 PolarHBondContact O-N 3.45Å; T74-H76 PolarHBondContact O-N 2.83Å | ||
| 75 | H | 39.9 | Very low | 41.8 | Very low | 180 Ų | 180 | 137 Ų | 137 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | trans | -78.7 | 53.2 | -177.5 | -142 | -81.7 | 0 | 0 | 0 | 111.4 | Q73 G77 | Q73-H75 PolarHBondContact O-N 2.81Å; Q73-H75 VanDerWaalsContact O-N 3.12Å; H75-G77 PolarHBondContact O-N 3.06Å | ||
| 76 | H | 36.7 | Very low | 40.7 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | trans | -75.6 | 89.2 | 174.2 | -69.4 | -52 | 0 | 0 | 0 | 109.5 | T74 | T74-H76 PolarHBondContact O-N 2.83Š| ||
| 77 | G | 31.5 | Very low | 39.9 | Very low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | trans | -166.7 | 43.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | H75 | H75-G77 PolarHBondContact O-N 3.06Š| ||
| 78 | M | 35 | Very low | 39.5 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 95% | 0.946 | 77% | 0.766 | S | S | * | * | trans | -142.2 | 109.2 | 161.7 | -99.2 | 157.4 | -172 | 0 | 0 | 109.6 | ||||
| 79 | S | 35.9 | Very low | 38.7 | Very low | 117 Ų | 117 | 144 Ų | 144 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146.3 | -177.1 | -150.5 | 0 | 0 | 0 | 0 | 111.2 | H81 | S79-H81 PolarHBondContact O-N 3.06Š|
| 80 | P | 38.9 | Very low | 38.4 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 133.3 | 177.3 | 27.7 | -34.4 | 0 | 0 | 0 | 111 | ||
| 81 | H | 35.4 | Very low | 38.2 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132.7 | 173.6 | -160.8 | -67.3 | 0 | 0 | 0 | 109.2 | S79 E83 | S79-H81 PolarHBondContact O-N 3.06Å; H81-E83 PolarHBondContact O-N 3.5Å |
| 82 | P | 43.8 | Very low | 38.2 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68 | 128.7 | 176.5 | 27 | -33 | 0 | 0 | 0 | 110.2 | ||
| 83 | E | 38.7 | Very low | 38 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 161.3 | 169.4 | -88.4 | -160.4 | 89.6 | 0 | 0 | 112.3 | H81 | H81-E83 PolarHBondContact O-N 3.5Š|
| 84 | Q | 35.3 | Very low | 38 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 127.6 | -159.1 | -57.6 | -175.5 | -16 | 0 | 0 | 113.8 | ||
| 85 | H | 35.1 | Very low | 38.2 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -154.6 | 97.3 | 152.7 | -89.5 | -76.3 | 0 | 0 | 0 | 111.3 | ||||
| 86 | H | 37 | Very low | 38.1 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | -174 | 149.5 | 128.6 | -121.7 | -87.9 | 0 | 0 | 0 | 115.1 | |||||
| 87 | L | 37.2 | Very low | 38.3 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | 72.2 | 72.2 | 162.7 | -56.2 | 177 | 0 | 0 | 0 | 118.5 | ||||
| 88 | L | 38.7 | Very low | 38.8 | Very low | 171 Ų | 171 | 145 Ų | 145 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -76.2 | 128.4 | 139.2 | -114.8 | 106.6 | 0 | 0 | 0 | 109.1 | ||||
| 89 | A | 35.6 | Very low | 38.8 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -84.1 | 116 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 90 | A | 43.4 | Very low | 39 | Very low | 94 Ų | 94 | 143.4 Ų | 143.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -140.6 | 133.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 91 | Q | 39.6 | Very low | 38.8 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -92.2 | 173.5 | -170.8 | -61.5 | 176.7 | -8 | 0 | 0 | 111.9 | ||||
| 92 | T | 41.2 | Very low | 39 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | trans | 82.3 | 110.2 | 153.8 | 47.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 93 | F | 39.9 | Very low | 39.2 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 64.4 | 118.5 | 140.1 | -69.3 | -73.4 | 0 | 0 | 0 | 122.6 | ||||
| 94 | G | 40 | Very low | 39.2 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | 123.5 | 83.9 | 106.3 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 95 | L | 43.3 | Very low | 39.9 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 97% | 0.974 | 79% | 0.791 | S | S | * | * | trans | 59.8 | 120.4 | 139.1 | -61 | 170.1 | 0 | 0 | 0 | 122.5 | ||||
| 96 | G | 38.9 | Very low | 40 | Very low | 85 Ų | 85 | 139 Ų | 139 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | 125.6 | 124.9 | 120.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 97 | G | 40.9 | Very low | 39.9 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 126.5 | 82.8 | 145 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 98 | Q | 40.4 | Very low | 40.1 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 20.1 | 130.8 | 148.2 | -67.3 | -165.4 | -73.1 | 0 | 0 | 123.2 | ||||
| 99 | Q | 36.6 | Very low | 39.9 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | 74.1 | 138.4 | 78.9 | -113 | 176.5 | -7.4 | 0 | 0 | 113.6 | |||||
| 100 | Q | 38.3 | Very low | 40.2 | Very low | 129 Ų | 129 | 137 Ų | 137 | 60% | 0.603 | 78% | 0.778 | S | S | * | * | cis | -172.1 | 155.1 | 24.5 | -160.8 | 164.5 | 2 | 0 | 0 | 114 | ||||
| 101 | Q | 36.5 | Very low | 39.9 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 63.6 | 155.2 | 152.7 | -84 | 156.7 | -10.2 | 0 | 0 | 121.6 | ||||
| 102 | H | 39.5 | Very low | 40 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | cis | -164.2 | -164.3 | -26.5 | -131.7 | -117.1 | 0 | 0 | 0 | 108.5 | ||||
| 103 | P | 46.1 | Very low | 39.7 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -129.8 | -171.4 | -135.2 | 43.2 | -21.8 | 0 | 0 | 0 | 117.1 | ||||
| 104 | S | 38.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | 135 | 141.6 | 140 | -159.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 105 | P | 50.7 | Low | 39.5 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -103.8 | 160.3 | 173.3 | 39.3 | -32.8 | 0 | 0 | 0 | 113.1 | ||||
| 106 | E | 38.3 | Very low | 39.2 | Very low | 201 Ų | 201 | 136.4 Ų | 136.4 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -164.7 | 170.9 | 143.9 | -121.4 | -174.4 | 156.6 | 0 | 0 | 113.7 | ||||
| 107 | A | 33.5 | Very low | 39 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -71.2 | -169.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 108 | V | 41.2 | Very low | 38.9 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 129.9 | 126.5 | 140.6 | 177.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 109 | Y | 35.4 | Very low | 38.8 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 89.8 | 113.6 | 152.9 | -115.9 | -123.6 | 0 | 0 | 0 | 124.1 | ||||
| 110 | M | 40.7 | Very low | 39.1 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | 38.6 | 135.8 | 126.2 | -49.9 | -66.9 | -171 | 0 | 0 | 122 | |||||
| 111 | G | 37.2 | Very low | 39.1 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -71.5 | -171.5 | 151 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 112 | P | 42.3 | Very low | 39.2 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -149.3 | 177.3 | 56.8 | 41.6 | -22.1 | 0 | 0 | 0 | 117 | |||||
| 113 | T | 35.5 | Very low | 39.2 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 22.4 | 129.6 | 148.3 | 58.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 114 | V | 42.8 | Very low | 38.4 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | -164.9 | 138.3 | 119 | -95.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 115 | D | 33 | Very low | 38.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -64.2 | 148.3 | 165.8 | -66.7 | -109.8 | 0 | 0 | 0 | 113.2 | ||||
| 116 | Y | 35.4 | Very low | 37.7 | Very low | 223 Ų | 223 | 145.4 Ų | 145.4 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -156.8 | 137.5 | 132.3 | -152.7 | -103.1 | 0 | 0 | 0 | 112.9 | ||||
| 117 | D | 34.9 | Very low | 38.1 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 65% | 0.652 | 79% | 0.785 | S | S | * | * | trans | -77 | 146.2 | 178.9 | -176.5 | -83.2 | 0 | 0 | 0 | 112.4 | S119 | D117-S119 PolarHBondContact OD1-N 2.87Š| ||
| 118 | Q | 40.6 | Very low | 38.3 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -145.7 | 80.5 | 162.2 | -165.7 | 151.2 | 105.3 | 0 | 0 | 112.8 | ||||
| 119 | S | 37.6 | Very low | 38.2 | Very low | 91 Ų | 91 | 151.9 Ų | 151.9 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -53.6 | 135.2 | 158.6 | 178.9 | 0 | 0 | 0 | 0 | 113 | D117 | D117-S119 PolarHBondContact OD1-N 2.87Š| ||
| 120 | M | 42.4 | Very low | 38.2 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -172 | 139.4 | 139.3 | -103.7 | -64.1 | 173.6 | 0 | 0 | 114.4 | ||||
| 121 | H | 38 | Very low | 38.1 | Very low | 151 Ų | 151 | 147 Ų | 147 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -37.7 | 147.3 | 179.3 | -61.2 | -57.9 | 0 | 0 | 0 | 121 | ||||
| 122 | H | 39.1 | Very low | 38.2 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | -154.4 | 96.5 | 129.2 | -103.3 | 70.5 | 0 | 0 | 0 | 108.4 | |||||
| 123 | Q | 39.9 | Very low | 38 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | 73.3 | 119.3 | 90.1 | -81.7 | -162.7 | -4.9 | 0 | 0 | 116.8 | |||||
| 124 | N | 30 | Very low | 38.2 | Very low | 163 Ų | 163 | 150 Ų | 150 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -65.9 | 145.3 | 172.2 | -73.1 | -61 | 0 | 0 | 0 | 112.6 | ||||
| 125 | A | 38.8 | Very low | 38 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 94.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 126 | V | 34.2 | Very low | 37.9 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -77.3 | 126.2 | 171.6 | -180 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 127 | K | 46.8 | Very low | 37.8 | Very low | 202 Ų | 202 | 144 Ų | 144 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -129.6 | 111.2 | 163 | -81.5 | -172.2 | 175.5 | 179 | 0 | 110.3 | ||||
| 128 | Q | 37.5 | Very low | 37.8 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -76.2 | 151.2 | 167.7 | -62.7 | -161.1 | -5.5 | 0 | 0 | 110.9 | ||||
| 129 | L | 39.6 | Very low | 37.5 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -161 | 160.2 | 146.3 | -103.5 | 163.2 | 0 | 0 | 0 | 109.5 | ||||
| 130 | S | 36.8 | Very low | 37.5 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -72 | 159.7 | -152.4 | -76.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 131 | P | 37.3 | Very low | 37 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -87.8 | 151.4 | -178.6 | 36.1 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 132 | S | 39.6 | Very low | 36.7 | Very low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -156.8 | 116.3 | 164.4 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 133 | T | 37.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | 53.5 | 96.7 | 140.4 | -41 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 134 | V | 41.5 | Very low | 36.1 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | -170.4 | 158.6 | 124.1 | -96 | 0 | 0 | 0 | 0 | 111 | |||||
| 135 | P | 36.8 | Very low | 36.2 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -102.2 | 163.7 | -155.9 | 38.5 | -36.3 | 0 | 0 | 0 | 116.8 | ||||
| 136 | F | 31.1 | Very low | 35.9 | Very low | 219 Ų | 219 | 141.7 Ų | 141.7 | 96% | 0.961 | 80% | 0.796 | S | S | * | * | trans | 20.6 | 102.8 | 152.1 | -71.2 | -88.3 | 0 | 0 | 0 | 118.5 | ||||
| 137 | G | 33.9 | Very low | 36 | Very low | 71 Ų | 71 | 142.3 Ų | 142.3 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | -157 | 127.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 138 | L | 35.3 | Very low | 35.6 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | 40.3 | 93.3 | 165.4 | -85.3 | 133.9 | 0 | 0 | 0 | 117.7 | H140 | L138-H140 VanDerWaalsContact C-N 3.33Å; L138-H140 PolarHBondContact O-N 3.07Å | ||
| 139 | V | 34.9 | Very low | 35.7 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -70.5 | 95.9 | 150.2 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | M141 | V139-M141 HydrophobicContact CG1-CG 4.11Å; V139-M141 PolarHBondContact O-N 2.76Å | ||
| 140 | H | 35.7 | Very low | 35.7 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 101.7 | 168.1 | -118.6 | -103.6 | 0 | 0 | 0 | 108.4 | L138 | L138-H140 VanDerWaalsContact C-N 3.33Å; L138-H140 PolarHBondContact O-N 3.07Å | ||
| 141 | M | 33.4 | Very low | 35.9 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -81.9 | 140.3 | 171.8 | -63.8 | -125.8 | 77.4 | 0 | 0 | 110.2 | V139 | V139-M141 HydrophobicContact CG1-CG 4.11Å; V139-M141 PolarHBondContact O-N 2.76Å | ||
| 142 | A | 31.2 | Very low | 35.7 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | 59.8 | 79.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 143 | S | 33.3 | Very low | 36 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | -107.5 | 79.8 | 126 | -167.8 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 144 | L | 32.8 | Very low | 36.1 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -115.9 | 128.8 | 167.9 | -76.6 | 175.2 | 0 | 0 | 0 | 107 | ||||
| 145 | D | 33.4 | Very low | 35.8 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -47.3 | 140.8 | 175.7 | -99.7 | -92.5 | 0 | 0 | 0 | 111.9 | Q147 | D145-Q147 HydrophobicContact CB-CB 4.12Å; D145-Q147 HydrophobicContact CB-CG 4.06Å; D145-Q147 PolarHBondContact O-N 2.81Å; D145-Q147 PolarHBondContact OD1-NE2 2.84Å | ||
| 146 | Y | 32.4 | Very low | 35.8 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -76.3 | 51.5 | 168.9 | -158.7 | -94.5 | 0 | 0 | 0 | 110.3 | I149 | Y146-I149 HydrophobicContact CD2-CD1 3.78Å; Y146-I149 HydrophobicContact CE1-CD1 4.39Å; Y146-I149 HydrophobicContact CE2-CD1 3.38Å; Y146-I149 HydrophobicContact CG-CD1 4.45Å |
| 147 | Q | 35.6 | Very low | 36.2 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | -127.5 | 89.3 | 178.4 | -62.7 | -175.7 | 46.7 | 0 | 0 | 107.5 | D145 | D145-Q147 HydrophobicContact CB-CB 4.12Å; D145-Q147 HydrophobicContact CB-CG 4.06Å; D145-Q147 PolarHBondContact O-N 2.81Å; D145-Q147 PolarHBondContact OD1-NE2 2.84Å | ||
| 148 | D | 38 | Very low | 36.2 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 56% | 0.556 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 165.8 | -7.8 | 149.6 | -90.9 | -23.6 | 0 | 0 | 0 | 114.1 | N150 S151 | D148-N150 PolarHBondContact O-N 2.87Å; D148-S151 PolarHBondContact O-N 2.69Å |
| 149 | I | 40.4 | Very low | 36.2 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 62% | 0.621 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 11.7 | -176.7 | -16.5 | -178.2 | 0 | 0 | 0 | 115.1 | Y146 | Y146-I149 HydrophobicContact CD2-CD1 3.78Å; Y146-I149 HydrophobicContact CE1-CD1 4.39Å; Y146-I149 HydrophobicContact CE2-CD1 3.38Å; Y146-I149 HydrophobicContact CG-CD1 4.45Å |
| 150 | N | 38.1 | Very low | 36.3 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 7.8 | 171.6 | -80.3 | -77.6 | 0 | 0 | 0 | 113.7 | D148 | D148-N150 PolarHBondContact O-N 2.87Š|
| 151 | S | 41.1 | Very low | 36.2 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -5.1 | -177.8 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | D148 E153 | D148-S151 PolarHBondContact O-N 2.69Å; S151-E153 PolarHBondContact O-N 2.94Å |
| 152 | L | 35 | Very low | 36.1 | Very low | 149 Ų | 149 | 136 Ų | 136 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -91.8 | 73.6 | 176.5 | -65.9 | 175.9 | 0 | 0 | 0 | 111 | ||||
| 153 | E | 44.5 | Very low | 36.2 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -66.9 | 123.8 | 166.1 | -164.5 | -179.8 | 146 | 0 | 0 | 109.1 | S151 S155 | S151-E153 PolarHBondContact O-N 2.94Å; E153-S155 PolarHBondContact O-N 3.04Å | ||
| 154 | P | 39.9 | Very low | 36.2 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -74.2 | 88 | -166.8 | 29 | -35.7 | 0 | 0 | 0 | 112.4 | F156 | P154-F156 VanDerWaalsContact C-N 3.25Å; P154-F156 PolarHBondContact O-N 2.89Å | ||
| 155 | S | 35.3 | Very low | 36.5 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -79.7 | 60.8 | 177.3 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | E153 | E153-S155 PolarHBondContact O-N 3.04Š| ||
| 156 | F | 36.2 | Very low | 36.5 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -131.9 | 144.2 | 169 | -94.2 | -86.8 | 0 | 0 | 0 | 113.1 | P154 | P154-F156 VanDerWaalsContact C-N 3.25Å; P154-F156 PolarHBondContact O-N 2.89Å | ||
| 157 | L | 40.1 | Very low | 36.5 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -74.6 | 151.5 | -156.4 | -62.3 | 166 | 0 | 0 | 0 | 114.1 | G159 | L157-G159 PolarHBondContact O-N 3.06Š| ||
| 158 | P | 33 | Very low | 36.5 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -74.7 | 110.6 | 173.8 | 30.7 | -32.7 | 0 | 0 | 0 | 110.3 | ||||
| 159 | G | 36.1 | Very low | 36.2 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -157.6 | 66.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116 | L157 | L157-G159 PolarHBondContact O-N 3.06Š| ||
| 160 | Q | 36.1 | Very low | 36 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 60.1 | 140.4 | 139.6 | -145.6 | -178.6 | -26.8 | 0 | 0 | 120.7 | ||||
| 161 | V | 33.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | 60.5 | 146.4 | 161 | -81.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 162 | D | 32 | Very low | 35.5 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | cis | -148.2 | 161.4 | -12.6 | -153.3 | -15.7 | 0 | 0 | 0 | 110.3 | ||||
| 163 | L | 32.5 | Very low | 35.4 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -99.9 | 85.5 | -169.9 | -165.3 | 79.4 | 0 | 0 | 0 | 112.1 | ||||
| 164 | S | 34.3 | Very low | 34.7 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -151.8 | 85.4 | 173.8 | -169.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 165 | Q | 38.9 | Very low | 34.5 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | -161.2 | 106.9 | 130 | -112.6 | 162.1 | 79.7 | 0 | 0 | 111.7 | |||||
| 166 | R | 32.6 | Very low | 34.8 | Very low | 252 Ų | 252 | 144.3 Ų | 144.3 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | trans | -86.4 | 124.7 | 169.4 | -74 | 167.8 | 153.8 | -175.2 | -7.5 | 109.6 | ||||
| 167 | S | 32.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | 173.1 | 124.9 | 158.4 | -173.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 168 | L | 35.2 | Very low | 34.4 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 68% | 0.681 | 81% | 0.813 | S | S | * | * | cis | -152.5 | 125 | 12.4 | -165.2 | 153.8 | 0 | 0 | 0 | 107.9 | Q170 | L168-Q170 HydrophobicContact CD2-CB 4.26Å; L168-Q170 HydrophobicContact CD2-CG 3.85Å | ||
| 169 | V | 31.6 | Very low | 34.3 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -103.6 | 129.2 | 170.6 | 173.9 | 0 | 0 | 0 | 0 | 107.9 | T171 | V169-T171 HydrophobicContact CG1-CG2 4.28Š| ||
| 170 | Q | 37.3 | Very low | 34.5 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -122.4 | 95.7 | 169.9 | -102.8 | 179 | -18 | 0 | 0 | 110.5 | L168 | L168-Q170 HydrophobicContact CD2-CB 4.26Å; L168-Q170 HydrophobicContact CD2-CG 3.85Å | ||
| 171 | T | 29.2 | Very low | 34.5 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -71.7 | 127.6 | 162.3 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | V169 | V169-T171 HydrophobicContact CG1-CG2 4.28Š| ||
| 172 | I | 38.3 | Very low | 34.7 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 80% | 0.795 | 82% | 0.821 | S | S | * | * | trans | -131.1 | 138.5 | 161.6 | -61.9 | -175 | 0 | 0 | 0 | 109.3 | ||||
| 173 | D | 33.4 | Very low | 34.9 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -84.9 | 161.2 | -166.5 | -154.5 | -31.5 | 0 | 0 | 0 | 113.1 | ||||
| 174 | C | 29.7 | Very low | 35.1 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -107.9 | 96.3 | -178.1 | -74.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 175 | S | 36.8 | Very low | 35 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -166.7 | 135.5 | 158.6 | 36.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 176 | G | 40.5 | Very low | 34.7 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 105.5 | 135.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 177 | G | 33.7 | Very low | 35 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | 140.2 | 119.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 178 | Q | 35.6 | Very low | 35.2 | Very low | 201 Ų | 201 | 132.1 Ų | 132.1 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | 88.5 | 143.6 | 155.2 | -154.3 | 160.9 | -20.5 | 0 | 0 | 120.1 | ||||
| 179 | L | 30.7 | Very low | 35.3 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -88.7 | 164.2 | -175.8 | -60.4 | 145.8 | 0 | 0 | 0 | 112.1 | ||||
| 180 | T | 39.3 | Very low | 35.8 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | -172.4 | 162.5 | 124.5 | 19.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 181 | N | 37.2 | Very low | 35.9 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -81.7 | 159.6 | -172 | -58 | -55.7 | 0 | 0 | 0 | 114.9 | ||||
| 182 | E | 37.8 | Very low | 36.3 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | -174.2 | 167.4 | 114.3 | -91.4 | -42.6 | 102.3 | 0 | 0 | 109.3 | |||||
| 183 | G | 36.4 | Very low | 36 | Very low | 52 Ų | 52 | 130.2 Ų | 130.2 | 54% | 0.536 | 78% | 0.781 | S | S | . | * | cis | 166.7 | 165.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 184 | V | 36.2 | Very low | 36.1 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | 69.6 | 147.8 | 163.3 | -168.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 185 | S | 30.9 | Very low | 36.5 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | -170.9 | -178.3 | -57.5 | 62.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 186 | F | 33.2 | Very low | 36.5 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | trans | 80.9 | 141.2 | 179.5 | -72.3 | -102.7 | 0 | 0 | 0 | 118.1 | ||||
| 187 | A | 38.5 | Very low | 36.2 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 58% | 0.579 | 79% | 0.787 | S | S | * | * | cis | -169.8 | 147.9 | -19.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 188 | N | 38.5 | Very low | 36.4 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 61 | 152.6 | 152.6 | -65.4 | 35.5 | 0 | 0 | 0 | 119.4 | ||||
| 189 | D | 37.3 | Very low | 36.6 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | cis | -158.7 | 167.9 | -4 | -125.1 | -45.9 | 0 | 0 | 0 | 111.6 | ||||
| 190 | H | 42 | Very low | 36.7 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | trans | 54.1 | 108.7 | 170.4 | -80.5 | -85.1 | 0 | 0 | 0 | 119.2 | ||||
| 191 | Q | 39.1 | Very low | 36.8 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | 86.8 | 92.5 | 54.2 | -170.4 | 168.5 | 23.4 | 0 | 0 | 116 | |||||
| 192 | S | 37 | Very low | 36.7 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -161.8 | 130.1 | 129.9 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 193 | A | 32.5 | Very low | 36.4 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -111 | 128.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 194 | I | 36.1 | Very low | 36.8 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -127.6 | 95.1 | 157.2 | -59.4 | -176.8 | 0 | 0 | 0 | 107.6 | ||||
| 195 | A | 38.1 | Very low | 36.8 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -84.7 | 124.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 196 | Y | 35.2 | Very low | 37 | Very low | 228 Ų | 228 | 142.2 Ų | 142.2 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -112.4 | 136.3 | 156.3 | -116.8 | -91 | 0 | 0 | 0 | 110.4 | ||||
| 197 | R | 36 | Very low | 37.1 | Very low | 242 Ų | 242 | 137.5 Ų | 137.5 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -126.5 | 131.6 | -154.2 | 174.5 | -167.4 | -172.4 | -166 | 5.5 | 109.3 | ||||
| 198 | G | 36.2 | Very low | 37 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 124.2 | 135.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 199 | Q | 39.5 | Very low | 37 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | cis | -137 | 142.2 | 7 | -70.2 | 175.4 | -17.6 | 0 | 0 | 111.1 | ||||
| 200 | M | 33 | Very low | 36.7 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -89.9 | 136.8 | 169.6 | -60.8 | 170.9 | 76.9 | 0 | 0 | 109.5 | ||||
| 201 | S | 41.3 | Very low | 36.8 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -132.1 | 136.8 | 154.3 | 41.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 202 | H | 36.8 | Very low | 36.5 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -85.7 | 164.2 | -155.8 | -83.6 | 49.6 | 0 | 0 | 0 | 115.1 | ||||
| 203 | C | 30.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -62.3 | 175.8 | 174.2 | -44.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 204 | P | 44.6 | Very low | 36.6 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | -136 | 153 | 90.3 | 37.6 | -27 | 0 | 0 | 0 | 115.3 | |||||
| 205 | V | 35.5 | Very low | 36.8 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -71 | 130 | 170.7 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 206 | G | 35.8 | Very low | 36.9 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -133.5 | 104.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F208 | G206-F208 PolarHBondContact O-N 2.94Š| ||
| 207 | S | 35.4 | Very low | 37.2 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -53.6 | 126 | 176.6 | 156.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 208 | F | 36.1 | Very low | 37.5 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -136.7 | 139.8 | 147.8 | -160.3 | -104.1 | 0 | 0 | 0 | 111.1 | G206 | G206-F208 PolarHBondContact O-N 2.94Š| ||
| 209 | Q | 38.2 | Very low | 37.7 | Very low | 150 Ų | 150 | 137 Ų | 137 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -85.3 | 148.4 | -166.4 | -66.8 | 164.5 | -4.6 | 0 | 0 | 111 | V211 | Q209-V211 PolarHBondContact O-N 2.76Š| ||
| 210 | A | 32.6 | Very low | 37.6 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -63.4 | 121.5 | 163 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 211 | V | 43.3 | Very low | 37.7 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | trans | -89.2 | 107.4 | 176.7 | -73.9 | 0 | 0 | 0 | 0 | 109.6 | Q209 V213 | Q209-V211 PolarHBondContact O-N 2.76Å; V211-V213 PolarHBondContact O-N 3.11Å | ||
| 212 | D | 33.2 | Very low | 37.5 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -57.1 | 120.5 | 165.5 | -71.9 | -67 | 0 | 0 | 0 | 110 | ||||
| 213 | V | 40.3 | Very low | 37.6 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | trans | -107.6 | 58.7 | 168.7 | -169 | 0 | 0 | 0 | 0 | 109.2 | V211 D215 | V211-V213 PolarHBondContact O-N 3.11Å; V213-D215 HydrophobicContact CG1-CB 4.36Å; V213-D215 PolarHBondContact O-N 2.81Å | ||
| 214 | C | 31.7 | Very low | 38 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | trans | -72.6 | 77.6 | 160.1 | -62.6 | 0 | 0 | 0 | 0 | 108.6 | R216 | C214-R216 PolarHBondContact O-N 3.42Š| ||
| 215 | D | 39.6 | Very low | 37.7 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -74.2 | 76.1 | 178.3 | -151.9 | -92.6 | 0 | 0 | 0 | 110.4 | V213 E217 | V213-D215 HydrophobicContact CG1-CB 4.36Å; V213-D215 PolarHBondContact O-N 2.81Å; D215-E217 PolarHBondContact O-N 3.22Å | ||
| 216 | R | 39.3 | Very low | 38.2 | Very low | 224 Ų | 224 | 127.9 Ų | 127.9 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -14.1 | 113.9 | 165.5 | 173.3 | 177.3 | 163.6 | 138 | -2.5 | 113.5 | C214 E218 | C214-R216 PolarHBondContact O-N 3.42Å; R216-E218 PolarHBondContact O-N 3.49Å | ||
| 217 | E | 43.2 | Very low | 38.8 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -56.6 | 113.1 | 171.4 | -63.1 | -171.6 | 99.9 | 0 | 0 | 110.3 | D215 S219 | D215-E217 PolarHBondContact O-N 3.22Å; E217-S219 PolarHBondContact O-N 3.01Å | ||
| 218 | E | 41.1 | Very low | 39.1 | Very low | 144 Ų | 144 | 139 Ų | 139 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | trans | -74.9 | 70.1 | 165.9 | -166.2 | -174.9 | 97.3 | 0 | 0 | 108.5 | R216 N220 | R216-E218 PolarHBondContact O-N 3.49Å; E218-N220 VanDerWaalsContact C-N 3.31Å; E218-N220 PolarHBondContact O-N 2.95Å; E218-N220 PolarHBondContact O-ND2 3.26Å; E218-N220 PolarHBondContact OE1-ND2 3.32Å | ||
| 219 | S | 40.6 | Very low | 39.9 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -58.7 | 94.6 | 167.9 | 46.1 | 0 | 0 | 0 | 0 | 108.6 | E217 S221 | E217-S219 PolarHBondContact O-N 3.01Å; S219-S221 PolarHBondContact O-N 3.21Å | ||
| 220 | N | 37.6 | Very low | 39.8 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | trans | -73.6 | 64.8 | 165.3 | -80.9 | -89.7 | 0 | 0 | 0 | 108.6 | E218 F222 | E218-N220 VanDerWaalsContact C-N 3.31Å; E218-N220 PolarHBondContact O-N 2.95Å; E218-N220 PolarHBondContact O-ND2 3.26Å; E218-N220 PolarHBondContact OE1-ND2 3.32Å; N220-F222 PolarHBondContact O-N 3.03Å | ||
| 221 | S | 35.3 | Very low | 40.5 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | -62.4 | 102.2 | 159.5 | -176.6 | 0 | 0 | 0 | 0 | 107 | S219 D223 | S219-S221 PolarHBondContact O-N 3.21Å; S221-D223 PolarHBondContact O-N 3.49Å | ||
| 222 | F | 37.1 | Very low | 40.6 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | trans | -78 | 83 | 166.8 | -179.3 | -105.6 | 0 | 0 | 0 | 107.2 | N220 G224 | N220-F222 PolarHBondContact O-N 3.03Å; F222-G224 PolarHBondContact O-N 3.06Å | ||
| 223 | D | 39.1 | Very low | 41 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -51.3 | 126.8 | 176.1 | -175.3 | 33.1 | 0 | 0 | 0 | 110.6 | S221 | S221-D223 PolarHBondContact O-N 3.49Š| ||
| 224 | G | 37.7 | Very low | 41.2 | Very low | 46 Ų | 46 | 133.4 Ų | 133.4 | 47% | 0.474 | 76% | 0.762 | S | S | . | * | trans | -72.8 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F222 | F222-G224 PolarHBondContact O-N 3.06Š| ||
| 225 | S | 39.2 | Very low | 41.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 70.8 | 80.3 | 169.1 | -149.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 226 | S | 45.9 | Very low | 41.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -138 | 81.9 | 150.8 | -90.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 227 | K | 48.1 | Very low | 42.2 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 44.7 | 98.6 | 137.7 | -61 | 177.6 | -177.5 | 176.7 | 0 | 117 | P229 | K227-P229 VanDerWaalsContact O-CD 3.31Å; K227-P229 WeakPolarHBondContact O-CD 3.32Å | ||
| 228 | R | 42 | Very low | 42.3 | Very low | 221 Ų | 221 | 134.2 Ų | 134.2 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -71.6 | 116 | 161.4 | -179.4 | -171.1 | -171.3 | -155.6 | 5.1 | 110.1 | T230 | R228-T230 HydrophobicContact CG-CG2 4.18Å; R228-T230 PolarHBondContact O-N 3.36Å | ||
| 229 | P | 51.8 | Low | 42.4 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -80 | 115.3 | 167.6 | 31.2 | -30.3 | 0 | 0 | 0 | 109.6 | K227 | K227-P229 VanDerWaalsContact O-CD 3.31Å; K227-P229 WeakPolarHBondContact O-CD 3.32Å | ||
| 230 | T | 36.7 | Very low | 42.5 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | trans | -97.4 | 95 | 170.7 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | R228 | R228-T230 HydrophobicContact CG-CG2 4.18Å; R228-T230 PolarHBondContact O-N 3.36Å | ||
| 231 | A | 47.5 | Very low | 42.6 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -156.4 | 134.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 232 | S | 45.5 | Very low | 43.3 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -52.1 | 143.5 | 172 | -168.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 233 | G | 42.5 | Very low | 44.1 | Very low | 72 Ų | 72 | 147.6 Ų | 147.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 171.9 | 101.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A235 | G233-A235 PolarHBondContact O-N 3.04Š| ||
| 234 | V | 44.6 | Very low | 44.1 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 111.2 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 235 | A | 43 | Very low | 44.9 | Very low | 102 Ų | 102 | 154 Ų | 154 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -158.3 | 140.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G233 | G233-A235 PolarHBondContact O-N 3.04Š| ||
| 236 | R | 39.1 | Very low | 45.7 | Very low | 234 Ų | 234 | 158.4 Ų | 158.4 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -103 | 126.3 | -174.9 | 168 | -166.2 | -171.2 | -160.7 | 7 | 109.6 | ||||
| 237 | Q | 48.5 | Very low | 46.2 | Very low | 181 Ų | 181 | 164 Ų | 164 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | trans | 175.1 | 121.8 | 145.9 | -97.7 | 172.6 | 34.4 | 0 | 0 | 109.7 | ||||
| 238 | V | 45.8 | Very low | 46.7 | Very low | 118 Ų | 118 | 163.4 Ų | 163.4 | 72% | 0.715 | 83% | 0.834 | S | S | * | * | 76.6 | 124.4 | 78.8 | 172.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 239 | R | 43 | Very low | 47.2 | Very low | 252 Ų | 252 | 158.5 Ų | 158.5 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | trans | 72.2 | 122.9 | 169.1 | -75.5 | 170.7 | 166.5 | -162.4 | -4.2 | 118.5 | ||||
| 240 | G | 41.8 | Very low | 47.3 | Very low | 67 Ų | 67 | 162.1 Ų | 162.1 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | trans | -175.8 | 54.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R242 | G240-R242 PolarHBondContact O-N 3.15Š| ||
| 241 | K | 39.7 | Very low | 48.3 | Very low | 204 Ų | 204 | 164.7 Ų | 164.7 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -68.6 | 80.1 | -175.5 | -173.8 | 176.4 | -179.7 | 177.2 | 0 | 111.6 | Q243 | K241-Q243 PolarHBondContact O-N 3.32Š| ||
| 242 | R | 50.4 | Low | 48.7 | Very low | 244 Ų | 244 | 165.6 Ų | 165.6 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 124.1 | 176.6 | -61.7 | -168.5 | 89.1 | 174.2 | 5.3 | 110.4 | G240 | G240-R242 PolarHBondContact O-N 3.15Š|
| 243 | Q | 54.9 | Low | 49.8 | Very low | 186 Ų | 186 | 165.8 Ų | 165.8 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 165.1 | -165.8 | -70 | 145.1 | -58.5 | 0 | 0 | 113.7 | K241 R245 | K241-Q243 PolarHBondContact O-N 3.32Å; Q243-R245 PolarHBondContact O-N 3.35Å |
| 244 | G | 37.7 | Very low | 50.9 | Low | 70 Ų | 70 | 167.6 Ų | 167.6 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 134.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | K246 | G244-K246 PolarHBondContact O-N 3.14Š|
| 245 | R | 56.2 | Low | 52.1 | Low | 244 Ų | 244 | 163.6 Ų | 163.6 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -57 | 110.2 | 159.6 | -75 | -177.2 | 171.3 | -169 | -4.4 | 107.8 | Q243 R247 | Q243-R245 PolarHBondContact O-N 3.35Å; R245-R247 PolarHBondContact O-N 3.2Å; R245-R247 VanDerWaalsContact O-N 3.07Å | ||
| 246 | K | 55.9 | Low | 53.9 | Low | 204 Ų | 204 | 159.3 Ų | 159.3 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 118.5 | 168.3 | -68.6 | -175.9 | 177.6 | -177.5 | 0 | 107.2 | G244 K248 | G244-K246 PolarHBondContact O-N 3.14Å; K246-K248 PolarHBondContact O-N 2.9Å |
| 247 | R | 54.8 | Low | 55.9 | Low | 239 Ų | 239 | 154.6 Ų | 154.6 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.7 | 174.1 | -74.3 | -172.1 | 166.4 | -151.9 | -4.7 | 106.7 | R245 | R245-R247 PolarHBondContact O-N 3.2Å; R245-R247 VanDerWaalsContact O-N 3.07Å |
| 248 | K | 59.2 | Low | 57.8 | Low | 176 Ų | 176 | 152.4 Ų | 152.4 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 127 | 172.5 | -66.1 | -168.9 | 176 | -164.8 | 0 | 106.4 | K246 K250 | K246-K248 PolarHBondContact O-N 2.9Å; K248-K250 PolarHBondContact O-N 2.99Å |
| 249 | P | 54 | Low | 59.8 | Low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.1 | 176 | 22.7 | -31.9 | 0 | 0 | 0 | 108.1 | K251 | P249-K251 PolarHBondContact O-N 3.49Š|
| 250 | K | 53 | Low | 62.1 | Low | 201 Ų | 201 | 138.5 Ų | 138.5 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 116.4 | 176.4 | -65.6 | 177.1 | -179.1 | 178.4 | 0 | 106.2 | K248 D252 | K248-K250 PolarHBondContact O-N 2.99Å; K250-D252 PolarHBondContact O-N 3.4Å |
| 251 | K | 57.7 | Low | 64.5 | Low | 162 Ų | 162 | 138.7 Ų | 138.7 | 70% | 0.704 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 135.1 | 172.7 | -133.9 | 77.2 | 178.8 | 176.2 | 0 | 107.5 | P249 | P249-K251 PolarHBondContact O-N 3.49Š|
| 252 | D | 55.8 | Low | 67.1 | Low | 115 Ų | 115 | 129.7 Ų | 129.7 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.3 | -171 | -70.5 | -83.3 | 0 | 0 | 0 | 110.7 | K250 N254 E255 | K250-D252 PolarHBondContact O-N 3.4Å; D252-N254 PolarHBondContact O-N 3.49Å; D252-E255 PolarHBondContact O-N 2.8Å |
| 253 | P | 67.7 | Low | 69.2 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 89% | 0.89 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -7.2 | -168.8 | -27.2 | 35 | 0 | 0 | 0 | 116.4 | ||
| 254 | N | 66.1 | Low | 71.1 | Confident | 111 Ų | 111 | 114.8 Ų | 114.8 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -9.8 | -178.8 | -161.6 | 46.9 | 0 | 0 | 0 | 113.2 | D252 Y323 | D252-N254 PolarHBondContact O-N 3.49Å; N254-Y323 HydrophobicContact CB-CE2 4.28Å; N254-Y323 WeakPolarHBondContact O-CD2 2.96Å; N254-Y323 WeakPolarHBondContact O-CE2 3.49Å |
| 255 | E | 71 | Confident | 73.7 | Confident | 70 Ų | 70 | 113 Ų | 113 | 33% | 0.327 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -76.1 | 128.4 | 170.6 | -168.3 | -166.7 | 171.5 | 0 | 0 | 108.3 | D252 Q257 | D252-E255 PolarHBondContact O-N 2.8Å; E255-Q257 PolarHBondContact O-N 3.27Å |
| 256 | P | 79.6 | Confident | 75.6 | Confident | 12 Ų | 12 | 101.9 Ų | 101.9 | 8% | 0.078 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 136.9 | 176.2 | 24.6 | -33.1 | 0 | 0 | 0 | 110.4 | K258 Y316 Q319 L320 | P256-K258 PolarHBondContact O-N 2.94Å; P256-Y316 HydrophobicContact CB-CD2 3.87Å; P256-Y316 HydrophobicContact CB-CE2 3.89Å; P256-Y316 HydrophobicContact CG-CD2 4.34Å; P256-Y316 HydrophobicContact CG-CE2 3.96Å; P256-Y316 WeakPolarHBondContact O-CE2 3.19Å; P256-Q319 HydrophobicContact CB-CB 3.89Å; P256-Q319 HydrophobicContact CG-CB 4.41Å; P256-L320 HydrophobicContact CG-CB 4.23Å; P256-L320 HydrophobicContact CG-CD1 4.2Å |
| 257 | Q | 81.8 | Confident | 77.4 | Confident | 135 Ų | 135 | 93.8 Ų | 93.8 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 125.8 | 179.6 | -177 | 167.4 | 122.2 | 0 | 0 | 109.9 | E255 Y316 | E255-Q257 PolarHBondContact O-N 3.27Å; Q257-Y316 VanDerWaalsContact O-CD2 3.28Å; Q257-Y316 WeakPolarHBondContact O-CD2 3.32Å |
| 258 | K | 87 | Confident | 79.2 | Confident | 136 Ų | 136 | 88.5 Ų | 88.5 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 131.5 | 171.5 | -70.3 | -176.5 | 175.6 | -174 | 0 | 109.8 | P256 Y316 | P256-K258 PolarHBondContact O-N 2.94Å; K258-Y316 HydrophobicContact CG-CE1 4.37Å; K258-Y316 HydrophobicContact CG-CE2 4.15Å; K258-Y316 WeakPolarHBondContact CG-OH 3.45Å |
| 259 | P | 89.5 | Confident | 80.8 | Confident | 45 Ų | 45 | 83.7 Ų | 83.7 | 29% | 0.292 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 145 | -178.4 | 29.4 | -38.6 | 0 | 0 | 0 | 110.2 | A312 K313 | P259-A312 HydrophobicContact CB-CB 4.05Å; P259-K313 HydrophobicContact CG-CB 4.08Å; P259-K313 HydrophobicContact CG-CG 4.36Å |
| 260 | V | 90.2 | Very high | 82.7 | Confident | 33 Ų | 33 | 78.9 Ų | 78.9 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 147 | 173.4 | -69.4 | 0 | 0 | 0 | 0 | 110.2 | A264 L265 T309 | V260-A264 HydrophobicContact CB-CB 3.91Å; V260-L265 HydrophobicContact CG2-CB 3.91Å; V260-L265 HydrophobicContact CG2-CD1 4.09Å; V260-L265 HydrophobicContact CG2-CG 4.25Å; V260-T309 VanDerWaalsContact O-CG2 3.32Å; V260-T309 WeakPolarHBondContact O-CG2 3.34Å |
| 261 | S | 92.9 | Very high | 84.6 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 49% | 0.49 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 162.2 | 175.2 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | Y263 A264 L265 | S261-Y263 VanDerWaalsContact C-N 3.3Å; S261-Y263 PolarHBondContact O-N 3.06Å; S261-A264 CarbonylContact O-C 3.46Å; S261-A264 WeakPolarHBondContact O-CA 3.5Å; S261-A264 PolarHBondContact O-N 2.86Å; S261-A264 WeakPolarHBondContact OG-CB 3.5Å; S261-A264 PolarHBondContact OG-N 3.48Å; S261-L265 PolarHBondContact O-N 3.11Å |
| 262 | A | 94.2 | Very high | 86.2 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 13% | 0.132 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -52.5 | -45.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L265 F266 W294 K306 T309 | A262-L265 PolarHBondContact O-N 3.23Å; A262-F266 PolarHBondContact O-N 3.21Å; A262-W294 HydrophobicContact CB-CH2 4.17Å; A262-K306 HydrophobicContact CB-CG 4.2Å; A262-T309 WeakPolarHBondContact CA-OG1 3.48Å; A262-T309 PolarHBondContact N-OG1 2.82Å; A262-T309 VanDerWaalsContact N-OG1 3.11Å |
| 263 | Y | 94.7 | Very high | 88 | Confident | 85 Ų | 85 | 65.7 Ų | 65.7 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.1 | 177.3 | -110.5 | 0 | 0 | 0 | 112.5 | S261 L265 F266 F267 W294 | S261-Y263 VanDerWaalsContact C-N 3.3Å; S261-Y263 PolarHBondContact O-N 3.06Å; Y263-L265 VanDerWaalsContact C-N 3.35Å; Y263-F266 PolarHBondContact O-N 3.32Å; Y263-F267 HydrophobicContact CE1-CD2 4.43Å; Y263-F267 VanDerWaalsContact O-CB 3.24Å; Y263-F267 WeakPolarHBondContact O-CB 3.4Å; Y263-F267 PolarHBondContact O-N 2.89Å; Y263-W294 HydrophobicContact CD2-CB 3.97Å; Y263-W294 AromaticContact CD2-CD1 3.67Å; Y263-W294 AromaticContact CD2-CD2 3.7Å; Y263-W294 HydrophobicContact CD2-CD2 3.7Å; Y263-W294 AromaticContact CD2-CE2 3.96Å; Y263-W294 HydrophobicContact CD2-CE3 4.35Å; Y263-W294 AromaticContact CD2-CG 3.49Å; Y263-W294 HydrophobicContact CD2-CG 3.49Å; Y263-W294 VanDerWaalsContact CD2-CG 3.49Å; Y263-W294 AromaticContact CD2-NE1 3.92Å; Y263-W294 HydrophobicContact CE2-CB 3.78Å; Y263-W294 HydrophobicContact CE2-CD2 4.43Å; Y263-W294 AromaticContact CE2-CG 3.79Å; Y263-W294 HydrophobicContact CE2-CG 3.79Å |
| 264 | A | 93.9 | Very high | 89.1 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 26% | 0.256 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.1 | -25.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V260 S261 R268 | V260-A264 HydrophobicContact CB-CB 3.91Å; S261-A264 CarbonylContact O-C 3.46Å; S261-A264 WeakPolarHBondContact O-CA 3.5Å; S261-A264 PolarHBondContact O-N 2.86Å; S261-A264 WeakPolarHBondContact OG-CB 3.5Å; S261-A264 PolarHBondContact OG-N 3.48Å; A264-R268 WeakPolarHBondContact O-CG 3.42Å; A264-R268 PolarHBondContact O-N 3.09Å |
| 265 | L | 92.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.4 | -51.6 | 170.7 | -159.1 | 139.6 | 0 | 0 | 0 | 110.1 | V260 S261 A262 Y263 F267 R268 D269 Y305 K308 | V260-L265 HydrophobicContact CG2-CB 3.91Å; V260-L265 HydrophobicContact CG2-CD1 4.09Å; V260-L265 HydrophobicContact CG2-CG 4.25Å; S261-L265 PolarHBondContact O-N 3.11Å; A262-L265 PolarHBondContact O-N 3.23Å; Y263-L265 VanDerWaalsContact C-N 3.35Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.49Å; L265-R268 PolarHBondContact O-N 2.86Å; L265-R268 VanDerWaalsContact O-N 3.14Å; L265-D269 PolarHBondContact O-N 3.03Å; L265-Y305 HydrophobicContact CD2-CD1 3.63Å; L265-Y305 HydrophobicContact CD2-CE1 3.88Å; L265-K308 HydrophobicContact CD1-CB 4.47Å; L265-K308 HydrophobicContact CD2-CD 4.1Å |
| 266 | F | 95.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 60 Ų | 60 | 4% | 0.044 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.2 | -43.9 | 171.3 | 177.6 | -104.9 | 0 | 0 | 0 | 112 | A262 Y263 R268 D269 T270 V290 M293 W294 L297 Y305 | A262-F266 PolarHBondContact O-N 3.21Å; Y263-F266 PolarHBondContact O-N 3.32Å; F266-R268 VanDerWaalsContact C-N 3.33Å; F266-R268 PolarHBondContact O-N 3.23Å; F266-D269 PolarHBondContact O-N 3.37Å; F266-T270 WeakPolarHBondContact CD2-OG1 3.47Å; F266-T270 HydrophobicContact CE1-CG2 4.44Å; F266-T270 WeakPolarHBondContact CE2-OG1 2.92Å; F266-T270 HydrophobicContact CZ-CG2 4.11Å; F266-T270 VanDerWaalsContact CZ-OG1 3.26Å; F266-T270 WeakPolarHBondContact CZ-OG1 3.49Å; F266-T270 WeakPolarHBondContact O-CB 3.38Å; F266-T270 PolarHBondContact O-N 3.3Å; F266-T270 PolarHBondContact O-OG1 2.76Å; F266-T270 VanDerWaalsContact O-OG1 3.09Å; F266-V290 HydrophobicContact CD1-CG1 4Å; F266-V290 HydrophobicContact CE1-CG1 3.9Å; F266-M293 HydrophobicContact CE1-CB 4.26Å; F266-M293 HydrophobicContact CZ-CB 3.93Å; F266-W294 HydrophobicContact CB-CE3 3.76Å; F266-W294 HydrophobicContact CB-CZ3 3.78Å; F266-W294 HydrophobicContact CD1-CB 3.89Å; F266-W294 HydrophobicContact CD1-CD2 4.23Å; F266-W294 AromaticContact CD1-CE3 3.54Å; F266-W294 HydrophobicContact CD1-CE3 3.54Å; F266-W294 HydrophobicContact CD1-CG 4.41Å; F266-W294 HydrophobicContact CD1-CZ3 4.41Å; F266-W294 HydrophobicContact CD2-CE3 4.21Å; F266-W294 HydrophobicContact CE1-CB 3.65Å; F266-W294 HydrophobicContact CE1-CE3 4.15Å; F266-W294 AromaticContact CG-CE3 3.56Å; F266-W294 HydrophobicContact CG-CE3 3.56Å; F266-W294 HydrophobicContact CG-CZ3 4.01Å; F266-L297 HydrophobicContact CD2-CD1 3.92Å; F266-L297 HydrophobicContact CE2-CD1 3.59Å; F266-L297 HydrophobicContact CE2-CG 4.33Å; F266-L297 HydrophobicContact CZ-CD1 4.01Å; F266-L297 HydrophobicContact CZ-CG 4.42Å; F266-Y305 HydrophobicContact CB-CD1 4.14Å; F266-Y305 HydrophobicContact CB-CD2 4.5Å; F266-Y305 HydrophobicContact CB-CE1 4.16Å; F266-Y305 HydrophobicContact CB-CG 4.35Å; F266-Y305 HydrophobicContact CD2-CD2 4.34Å; F266-Y305 HydrophobicContact CD2-CE1 4.25Å; F266-Y305 AromaticContact CD2-CE2 3.7Å; F266-Y305 HydrophobicContact CD2-CE2 3.7Å; F266-Y305 AromaticContact CD2-CZ 3.66Å; F266-Y305 HydrophobicContact CE2-CE2 4.43Å |
| 267 | F | 94.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 65.8 Ų | 65.8 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 178.7 | -173.3 | -80.6 | 0 | 0 | 0 | 112.1 | Y263 L265 Q271 F283 V290 | Y263-F267 HydrophobicContact CE1-CD2 4.43Å; Y263-F267 VanDerWaalsContact O-CB 3.24Å; Y263-F267 WeakPolarHBondContact O-CB 3.4Å; Y263-F267 PolarHBondContact O-N 2.89Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.49Å; F267-Q271 HydrophobicContact CD1-CB 4.37Å; F267-Q271 HydrophobicContact CE1-CB 4.3Å; F267-Q271 HydrophobicContact CE1-CG 4.4Å; F267-Q271 VanDerWaalsContact CE1-OE1 3.3Å; F267-Q271 WeakPolarHBondContact O-CA 3.35Å; F267-Q271 WeakPolarHBondContact O-CB 3.49Å; F267-Q271 PolarHBondContact O-N 2.79Å; F267-F283 HydrophobicContact CE1-CE2 4.03Å; F267-F283 HydrophobicContact CE1-CZ 4.3Å; F267-F283 AromaticContact CZ-CE2 3.78Å; F267-F283 HydrophobicContact CZ-CE2 3.78Å; F267-F283 AromaticContact CZ-CZ 3.85Å; F267-F283 HydrophobicContact CZ-CZ 3.85Å; F267-V290 HydrophobicContact CB-CG1 4.16Å; F267-V290 HydrophobicContact CD2-CB 4.11Å; F267-V290 HydrophobicContact CD2-CG1 3.55Å; F267-V290 HydrophobicContact CE2-CB 4.36Å; F267-V290 HydrophobicContact CE2-CG1 4.28Å; F267-V290 HydrophobicContact CG-CG1 4.13Å |
| 268 | R | 93.1 | Very high | 92.2 | Very high | 128 Ų | 128 | 63.1 Ų | 63.1 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.8 | -75.6 | 177.5 | 176 | -172.7 | 0.4 | 111.6 | A264 L265 F266 A272 | A264-R268 WeakPolarHBondContact O-CG 3.42Å; A264-R268 PolarHBondContact O-N 3.09Å; L265-R268 PolarHBondContact O-N 2.86Å; L265-R268 VanDerWaalsContact O-N 3.14Å; F266-R268 VanDerWaalsContact C-N 3.33Å; F266-R268 PolarHBondContact O-N 3.23Å; R268-A272 PolarHBondContact O-N 3.33Å |
| 269 | D | 92.4 | Very high | 92.3 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 40% | 0.401 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.1 | -50.6 | -177.3 | -65 | -12.2 | 0 | 0 | 0 | 110.9 | L265 F266 A272 T273 | L265-D269 PolarHBondContact O-N 3.03Å; F266-D269 PolarHBondContact O-N 3.37Å; D269-A272 PolarHBondContact O-N 2.76Å; D269-T273 PolarHBondContact O-N 3.36Å; D269-T273 PolarHBondContact O-OG1 2.9Å |
| 270 | T | 93.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 66.9 Ų | 66.9 | 10% | 0.104 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74 | -33.7 | -176.9 | -50 | 0 | 0 | 0 | 0 | 112.7 | F266 A272 T273 I274 V290 M293 | F266-T270 WeakPolarHBondContact CD2-OG1 3.47Å; F266-T270 HydrophobicContact CE1-CG2 4.44Å; F266-T270 WeakPolarHBondContact CE2-OG1 2.92Å; F266-T270 HydrophobicContact CZ-CG2 4.11Å; F266-T270 VanDerWaalsContact CZ-OG1 3.26Å; F266-T270 WeakPolarHBondContact CZ-OG1 3.49Å; F266-T270 WeakPolarHBondContact O-CB 3.38Å; F266-T270 PolarHBondContact O-N 3.3Å; F266-T270 PolarHBondContact O-OG1 2.76Å; F266-T270 VanDerWaalsContact O-OG1 3.09Å; T270-A272 VanDerWaalsContact C-N 3.28Å; T270-A272 PolarHBondContact O-N 2.98Å; T270-T273 PolarHBondContact O-N 3.46Å; T270-I274 HydrophobicContact CG2-CD1 3.74Å; T270-I274 HydrophobicContact CG2-CG1 4.26Å; T270-I274 WeakPolarHBondContact O-CG1 3.42Å; T270-I274 PolarHBondContact O-N 3.02Å; T270-V290 HydrophobicContact CG2-CG2 4.04Å; T270-M293 HydrophobicContact CG2-SD 3.55Å; T270-M293 VanDerWaalsContact CG2-SD 3.55Å |
| 271 | Q | 92.7 | Very high | 92.2 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 172.7 | -176.5 | -168.9 | 9.7 | 0 | 0 | 111.1 | F267 K275 V286 | F267-Q271 HydrophobicContact CD1-CB 4.37Å; F267-Q271 HydrophobicContact CE1-CB 4.3Å; F267-Q271 HydrophobicContact CE1-CG 4.4Å; F267-Q271 VanDerWaalsContact CE1-OE1 3.3Å; F267-Q271 WeakPolarHBondContact O-CA 3.35Å; F267-Q271 WeakPolarHBondContact O-CB 3.49Å; F267-Q271 PolarHBondContact O-N 2.79Å; Q271-K275 WeakPolarHBondContact O-CB 3.24Å; Q271-K275 PolarHBondContact O-N 2.93Å; Q271-V286 HydrophobicContact CB-CG1 4.34Å; Q271-V286 HydrophobicContact CG-CG1 3.85Å |
| 272 | A | 91.1 | Very high | 92.1 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 56% | 0.562 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R268 D269 T270 K275 G276 | R268-A272 PolarHBondContact O-N 3.33Å; D269-A272 PolarHBondContact O-N 2.76Å; T270-A272 VanDerWaalsContact C-N 3.28Å; T270-A272 PolarHBondContact O-N 2.98Å; A272-K275 PolarHBondContact O-N 3.29Å; A272-G276 PolarHBondContact O-N 3.04Å |
| 273 | T | 93 | Very high | 91.9 | Very high | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.1 | -52.7 | 177.2 | -55 | 0 | 0 | 0 | 0 | 112.4 | D269 T270 K275 G276 Q277 | D269-T273 PolarHBondContact O-N 3.36Å; D269-T273 PolarHBondContact O-OG1 2.9Å; T270-T273 PolarHBondContact O-N 3.46Å; T273-K275 VanDerWaalsContact C-N 3.33Å; T273-K275 PolarHBondContact O-N 3.38Å; T273-G276 PolarHBondContact O-N 3.34Å; T273-Q277 WeakPolarHBondContact O-CG 3.13Å; T273-Q277 PolarHBondContact O-N 3.07Å |
| 274 | I | 92.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.026 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | -178.1 | -64.3 | 162.7 | 0 | 0 | 0 | 110.8 | T270 G276 Q277 N278 V286 I289 V290 M293 | T270-I274 HydrophobicContact CG2-CD1 3.74Å; T270-I274 HydrophobicContact CG2-CG1 4.26Å; T270-I274 WeakPolarHBondContact O-CG1 3.42Å; T270-I274 PolarHBondContact O-N 3.02Å; I274-G276 VanDerWaalsContact C-N 3.32Å; I274-G276 PolarHBondContact O-N 3.05Å; I274-Q277 PolarHBondContact O-N 3.12Å; I274-N278 WeakPolarHBondContact O-CB 3.43Å; I274-N278 PolarHBondContact O-N 2.87Å; I274-V286 HydrophobicContact CB-CG1 4.04Å; I274-V286 HydrophobicContact CD1-CG1 4.34Å; I274-V286 HydrophobicContact CG2-CB 4.38Å; I274-V286 HydrophobicContact CG2-CG1 3.94Å; I274-V286 HydrophobicContact CG2-CG2 4.03Å; I274-I289 HydrophobicContact CD1-CB 3.98Å; I274-I289 HydrophobicContact CD1-CG2 3.54Å; I274-I289 HydrophobicContact CG1-CG2 4.3Å; I274-I289 HydrophobicContact CG2-CD1 4.26Å; I274-V290 HydrophobicContact CD1-CG2 3.62Å; I274-M293 HydrophobicContact CD1-CE 4.47Å; I274-M293 HydrophobicContact CD1-SD 4.06Å |
| 275 | K | 90.8 | Very high | 91.8 | Very high | 129 Ų | 129 | 73.3 Ų | 73.3 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.3 | -28.7 | 179.2 | -169 | 176.8 | -178.8 | -173.8 | 0 | 112.6 | Q271 A272 T273 N278 P279 | Q271-K275 WeakPolarHBondContact O-CB 3.24Å; Q271-K275 PolarHBondContact O-N 2.93Å; A272-K275 PolarHBondContact O-N 3.29Å; T273-K275 VanDerWaalsContact C-N 3.33Å; T273-K275 PolarHBondContact O-N 3.38Å; K275-N278 CarbonylContact O-C 3.59Å; K275-P279 WeakPolarHBondContact O-CA 3.26Å |
| 276 | G | 91.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 72 Ų | 72 | 66% | 0.66 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.7 | -41.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A272 T273 I274 | A272-G276 PolarHBondContact O-N 3.04Å; T273-G276 PolarHBondContact O-N 3.34Å; I274-G276 VanDerWaalsContact C-N 3.32Å; I274-G276 PolarHBondContact O-N 3.05Å |
| 277 | Q | 92.6 | Very high | 91.7 | Very high | 134 Ų | 134 | 72.9 Ų | 72.9 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -72.8 | -36 | 176.6 | -68.7 | 173.5 | -16.9 | 0 | 0 | 112.9 | T273 I274 | T273-Q277 WeakPolarHBondContact O-CG 3.13Å; T273-Q277 PolarHBondContact O-N 3.07Å; I274-Q277 PolarHBondContact O-N 3.12Å |
| 278 | N | 87.3 | Confident | 91.7 | Very high | 80 Ų | 80 | 78.5 Ų | 78.5 | 43% | 0.428 | 44% | 0.436 | S | S | . | . | trans | -129 | 73.7 | -174.4 | -63.1 | -85.7 | 0 | 0 | 0 | 110.7 | I274 K275 N280 A281 | I274-N278 WeakPolarHBondContact O-CB 3.43Å; I274-N278 PolarHBondContact O-N 2.87Å; K275-N278 CarbonylContact O-C 3.59Å; N278-N280 PolarHBondContact O-N 3.2Å; N278-N280 VanDerWaalsContact O-N 3.15Å; N278-A281 HydrophobicContact CB-CB 3.78Å; N278-A281 WeakPolarHBondContact O-CB 3.1Å; N278-A281 PolarHBondContact O-N 2.78Å | ||
| 279 | P | 89.7 | Confident | 91.7 | Very high | 96 Ų | 96 | 75.7 Ų | 75.7 | 62% | 0.623 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.9 | -178.6 | 25.3 | -35 | 0 | 0 | 0 | 113.6 | K275 | K275-P279 WeakPolarHBondContact O-CA 3.26Š|
| 280 | N | 90 | Very high | 91.9 | Very high | 163 Ų | 163 | 72.1 Ų | 72.1 | 87% | 0.872 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -10.8 | 177.2 | -65.7 | -22.6 | 0 | 0 | 0 | 113.8 | N278 | N278-N280 PolarHBondContact O-N 3.2Å; N278-N280 VanDerWaalsContact O-N 3.15Å |
| 281 | A | 86.4 | Confident | 91.9 | Very high | 28 Ų | 28 | 72.7 Ų | 72.7 | 23% | 0.231 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -72.1 | 136.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N278 V286 | N278-A281 HydrophobicContact CB-CB 3.78Å; N278-A281 WeakPolarHBondContact O-CB 3.1Å; N278-A281 PolarHBondContact O-N 2.78Å; A281-V286 HydrophobicContact CB-CG2 3.96Å |
| 282 | S | 91.6 | Very high | 92 | Very high | 73 Ų | 73 | 75.2 Ų | 75.2 | 51% | 0.51 | 44% | 0.436 | S | S | . | . | trans | -68.1 | 148.2 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 111 | G284 E285 V286 | S282-G284 PolarHBondContact O-N 3.29Å; S282-G284 VanDerWaalsContact O-N 3.07Å; S282-E285 VanDerWaalsContact CB-OE2 3.32Å; S282-E285 WeakPolarHBondContact CB-OE2 3.41Å; S282-E285 PolarHBondContact N-OE2 2.99Å; S282-E285 WeakPolarHBondContact O-CB 3.49Å; S282-E285 PolarHBondContact O-N 3.35Å; S282-V286 PolarHBondContact O-N 3.32Å | ||
| 283 | F | 90.4 | Very high | 92.1 | Very high | 125 Ų | 125 | 76.1 Ų | 76.1 | 55% | 0.548 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -53.3 | -33.1 | 175.7 | 175.9 | -102.4 | 0 | 0 | 0 | 112.8 | F267 S287 | F267-F283 HydrophobicContact CE1-CE2 4.03Å; F267-F283 HydrophobicContact CE1-CZ 4.3Å; F267-F283 AromaticContact CZ-CE2 3.78Å; F267-F283 HydrophobicContact CZ-CE2 3.78Å; F267-F283 AromaticContact CZ-CZ 3.85Å; F267-F283 HydrophobicContact CZ-CZ 3.85Å; F283-S287 WeakPolarHBondContact O-CB 3.21Å; F283-S287 PolarHBondContact O-N 2.87Å; F283-S287 PolarHBondContact O-OG 3.37Å |
| 284 | G | 93.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.8 | -26.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S282 K288 | S282-G284 PolarHBondContact O-N 3.29Å; S282-G284 VanDerWaalsContact O-N 3.07Å; G284-K288 WeakPolarHBondContact O-CG 3.25Å |
| 285 | E | 92.8 | Very high | 92.4 | Very high | 107 Ų | 107 | 79.4 Ų | 79.4 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -79 | -48.2 | 174.4 | -64 | 167.3 | 135.4 | 0 | 0 | 109.6 | S282 S287 K288 I289 | S282-E285 VanDerWaalsContact CB-OE2 3.32Å; S282-E285 WeakPolarHBondContact CB-OE2 3.41Å; S282-E285 PolarHBondContact N-OE2 2.99Å; S282-E285 WeakPolarHBondContact O-CB 3.49Å; S282-E285 PolarHBondContact O-N 3.35Å; E285-S287 VanDerWaalsContact C-N 3.29Å; E285-S287 PolarHBondContact O-N 3.41Å; E285-K288 PolarHBondContact O-N 2.99Å; E285-K288 VanDerWaalsContact O-N 3.11Å; E285-I289 WeakPolarHBondContact O-CG1 3.47Å; E285-I289 PolarHBondContact O-N 3.21Å |
| 286 | V | 93.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 76.1 Ų | 76.1 | 3% | 0.03 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -55.4 | -44.8 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 111 | Q271 I274 A281 S282 K288 I289 V290 | Q271-V286 HydrophobicContact CB-CG1 4.34Å; Q271-V286 HydrophobicContact CG-CG1 3.85Å; I274-V286 HydrophobicContact CB-CG1 4.04Å; I274-V286 HydrophobicContact CD1-CG1 4.34Å; I274-V286 HydrophobicContact CG2-CB 4.38Å; I274-V286 HydrophobicContact CG2-CG1 3.94Å; I274-V286 HydrophobicContact CG2-CG2 4.03Å; A281-V286 HydrophobicContact CB-CG2 3.96Å; S282-V286 PolarHBondContact O-N 3.32Å; V286-K288 VanDerWaalsContact C-N 3.32Å; V286-K288 PolarHBondContact O-N 3.32Å; V286-I289 PolarHBondContact O-N 2.93Å; V286-V290 HydrophobicContact CG1-CG2 4.35Å; V286-V290 WeakPolarHBondContact O-CG2 3.5Å; V286-V290 PolarHBondContact O-N 3.26Å |
| 287 | S | 93.5 | Very high | 92.6 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62 | -36.5 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | F283 E285 A291 | F283-S287 WeakPolarHBondContact O-CB 3.21Å; F283-S287 PolarHBondContact O-N 2.87Å; F283-S287 PolarHBondContact O-OG 3.37Å; E285-S287 VanDerWaalsContact C-N 3.29Å; E285-S287 PolarHBondContact O-N 3.41Å; S287-A291 PolarHBondContact O-N 3.4Å; S287-A291 VanDerWaalsContact O-N 3.09Å |
| 288 | K | 94.2 | Very high | 92.7 | Very high | 154 Ų | 154 | 74.5 Ų | 74.5 | 67% | 0.67 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.5 | -43.6 | 175.8 | -72.9 | 173 | 180 | -175.2 | 0 | 111.5 | G284 E285 V286 V290 A291 T292 | G284-K288 WeakPolarHBondContact O-CG 3.25Å; E285-K288 PolarHBondContact O-N 2.99Å; E285-K288 VanDerWaalsContact O-N 3.11Å; V286-K288 VanDerWaalsContact C-N 3.32Å; V286-K288 PolarHBondContact O-N 3.32Å; K288-V290 VanDerWaalsContact C-N 3.34Å; K288-V290 PolarHBondContact O-N 3.22Å; K288-A291 PolarHBondContact O-N 3.4Å; K288-T292 PolarHBondContact O-N 2.87Å; K288-T292 PolarHBondContact O-OG1 3.24Å; K288-T292 VanDerWaalsContact O-OG1 3.08Å |
| 289 | I | 93.2 | Very high | 92.9 | Very high | 68 Ų | 68 | 74.8 Ų | 74.8 | 35% | 0.349 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 177.8 | -61.2 | 163.3 | 0 | 0 | 0 | 110.1 | I274 E285 V286 A291 T292 M293 | I274-I289 HydrophobicContact CD1-CB 3.98Å; I274-I289 HydrophobicContact CD1-CG2 3.54Å; I274-I289 HydrophobicContact CG1-CG2 4.3Å; I274-I289 HydrophobicContact CG2-CD1 4.26Å; E285-I289 WeakPolarHBondContact O-CG1 3.47Å; E285-I289 PolarHBondContact O-N 3.21Å; V286-I289 PolarHBondContact O-N 2.93Å; I289-A291 PolarHBondContact O-N 3.01Å; I289-T292 PolarHBondContact O-N 3.04Å; I289-M293 HydrophobicContact CG2-CE 3.8Å; I289-M293 HydrophobicContact CG2-CG 4.42Å; I289-M293 HydrophobicContact CG2-SD 4.16Å; I289-M293 WeakPolarHBondContact O-CB 3.46Å; I289-M293 WeakPolarHBondContact O-CG 3.41Å; I289-M293 PolarHBondContact O-N 3.38Å |
| 290 | V | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | F266 F267 T270 I274 V286 K288 M293 W294 | F266-V290 HydrophobicContact CD1-CG1 4Å; F266-V290 HydrophobicContact CE1-CG1 3.9Å; F267-V290 HydrophobicContact CB-CG1 4.16Å; F267-V290 HydrophobicContact CD2-CB 4.11Å; F267-V290 HydrophobicContact CD2-CG1 3.55Å; F267-V290 HydrophobicContact CE2-CB 4.36Å; F267-V290 HydrophobicContact CE2-CG1 4.28Å; F267-V290 HydrophobicContact CG-CG1 4.13Å; T270-V290 HydrophobicContact CG2-CG2 4.04Å; I274-V290 HydrophobicContact CD1-CG2 3.62Å; V286-V290 HydrophobicContact CG1-CG2 4.35Å; V286-V290 WeakPolarHBondContact O-CG2 3.5Å; V286-V290 PolarHBondContact O-N 3.26Å; K288-V290 VanDerWaalsContact C-N 3.34Å; K288-V290 PolarHBondContact O-N 3.22Å; V290-M293 PolarHBondContact O-N 3.05Å; V290-W294 WeakPolarHBondContact O-CB 3.41Å; V290-W294 PolarHBondContact O-N 3.14Å |
| 291 | A | 94.7 | Very high | 93.3 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.8 | -50 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S287 K288 I289 M293 W294 D295 | S287-A291 PolarHBondContact O-N 3.4Å; S287-A291 VanDerWaalsContact O-N 3.09Å; K288-A291 PolarHBondContact O-N 3.4Å; I289-A291 PolarHBondContact O-N 3.01Å; A291-M293 VanDerWaalsContact C-N 3.31Å; A291-M293 PolarHBondContact O-N 2.77Å; A291-W294 WeakPolarHBondContact O-CB 3.46Å; A291-W294 PolarHBondContact O-N 3.37Å; A291-W294 VanDerWaalsContact O-N 3.1Å; A291-D295 PolarHBondContact O-N 3.47Å |
| 292 | T | 94.8 | Very high | 93.6 | Very high | 103 Ų | 103 | 70.6 Ų | 70.6 | 63% | 0.632 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.4 | -39.2 | 176.8 | -50.9 | 0 | 0 | 0 | 0 | 112.7 | K288 I289 G296 | K288-T292 PolarHBondContact O-N 2.87Å; K288-T292 PolarHBondContact O-OG1 3.24Å; K288-T292 VanDerWaalsContact O-OG1 3.08Å; I289-T292 PolarHBondContact O-N 3.04Å; T292-G296 PolarHBondContact O-N 2.9Å; T292-G296 VanDerWaalsContact O-N 3.13Å |
| 293 | M | 93.8 | Very high | 93.8 | Very high | 87 Ų | 87 | 70.5 Ų | 70.5 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 175 | -73.2 | -179.3 | 172.3 | 0 | 0 | 112.3 | F266 T270 I274 I289 V290 A291 G296 L297 | F266-M293 HydrophobicContact CE1-CB 4.26Å; F266-M293 HydrophobicContact CZ-CB 3.93Å; T270-M293 HydrophobicContact CG2-SD 3.55Å; T270-M293 VanDerWaalsContact CG2-SD 3.55Å; I274-M293 HydrophobicContact CD1-CE 4.47Å; I274-M293 HydrophobicContact CD1-SD 4.06Å; I289-M293 HydrophobicContact CG2-CE 3.8Å; I289-M293 HydrophobicContact CG2-CG 4.42Å; I289-M293 HydrophobicContact CG2-SD 4.16Å; I289-M293 WeakPolarHBondContact O-CB 3.46Å; I289-M293 WeakPolarHBondContact O-CG 3.41Å; I289-M293 PolarHBondContact O-N 3.38Å; V290-M293 PolarHBondContact O-N 3.05Å; A291-M293 VanDerWaalsContact C-N 3.31Å; A291-M293 PolarHBondContact O-N 2.77Å; M293-G296 PolarHBondContact O-N 2.93Å; M293-L297 WeakPolarHBondContact O-CG 3.13Å; M293-L297 PolarHBondContact O-N 2.97Å |
| 294 | W | 95.1 | Very high | 94 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.6 | 175.5 | -103.9 | 0 | 0 | 0 | 111.3 | A262 Y263 F266 V290 A291 G296 L297 K302 Y305 | A262-W294 HydrophobicContact CB-CH2 4.17Å; Y263-W294 HydrophobicContact CD2-CB 3.97Å; Y263-W294 AromaticContact CD2-CD1 3.67Å; Y263-W294 AromaticContact CD2-CD2 3.7Å; Y263-W294 HydrophobicContact CD2-CD2 3.7Å; Y263-W294 AromaticContact CD2-CE2 3.96Å; Y263-W294 HydrophobicContact CD2-CE3 4.35Å; Y263-W294 AromaticContact CD2-CG 3.49Å; Y263-W294 HydrophobicContact CD2-CG 3.49Å; Y263-W294 VanDerWaalsContact CD2-CG 3.49Å; Y263-W294 AromaticContact CD2-NE1 3.92Å; Y263-W294 HydrophobicContact CE2-CB 3.78Å; Y263-W294 HydrophobicContact CE2-CD2 4.43Å; Y263-W294 AromaticContact CE2-CG 3.79Å; Y263-W294 HydrophobicContact CE2-CG 3.79Å; F266-W294 HydrophobicContact CB-CE3 3.76Å; F266-W294 HydrophobicContact CB-CZ3 3.78Å; F266-W294 HydrophobicContact CD1-CB 3.89Å; F266-W294 HydrophobicContact CD1-CD2 4.23Å; F266-W294 AromaticContact CD1-CE3 3.54Å; F266-W294 HydrophobicContact CD1-CE3 3.54Å; F266-W294 HydrophobicContact CD1-CG 4.41Å; F266-W294 HydrophobicContact CD1-CZ3 4.41Å; F266-W294 HydrophobicContact CD2-CE3 4.21Å; F266-W294 HydrophobicContact CE1-CB 3.65Å; F266-W294 HydrophobicContact CE1-CE3 4.15Å; F266-W294 AromaticContact CG-CE3 3.56Å; F266-W294 HydrophobicContact CG-CE3 3.56Å; F266-W294 HydrophobicContact CG-CZ3 4.01Å; V290-W294 WeakPolarHBondContact O-CB 3.41Å; V290-W294 PolarHBondContact O-N 3.14Å; A291-W294 WeakPolarHBondContact O-CB 3.46Å; A291-W294 PolarHBondContact O-N 3.37Å; A291-W294 VanDerWaalsContact O-N 3.1Å; W294-G296 VanDerWaalsContact C-N 3.26Å; W294-G296 PolarHBondContact O-N 3.35Å; W294-L297 HydrophobicContact CE3-CD1 3.89Å; W294-L297 HydrophobicContact CZ3-CD1 4.19Å; W294-L297 WeakPolarHBondContact O-CB 3.48Å; W294-L297 PolarHBondContact O-N 3.15Å; W294-L297 VanDerWaalsContact O-N 3.08Å; W294-K302 HydrophobicContact CE3-CG 4.5Å; W294-K302 HydrophobicContact CH2-CB 4.2Å; W294-K302 HydrophobicContact CH2-CG 3.93Å; W294-K302 HydrophobicContact CZ2-CB 4.5Å; W294-K302 HydrophobicContact CZ2-CG 4.01Å; W294-K302 HydrophobicContact CZ3-CG 4.18Å; W294-K302 WeakPolarHBondContact O-CE 3.47Å; W294-K302 PolarHBondContact O-NZ 3.27Å; W294-K302 VanDerWaalsContact O-NZ 3.14Å; W294-Y305 AromaticContact CZ3-CD2 3.98Å; W294-Y305 HydrophobicContact CZ3-CD2 3.98Å; W294-Y305 HydrophobicContact CZ3-CG 4.22Å |
| 295 | D | 94.8 | Very high | 94.1 | Very high | 114 Ų | 114 | 68 Ų | 68 | 61% | 0.61 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | -179.9 | -63.6 | -28.1 | 0 | 0 | 0 | 110.6 | A291 L297 K302 | A291-D295 PolarHBondContact O-N 3.47Å; D295-L297 VanDerWaalsContact C-N 3.33Å; D295-L297 PolarHBondContact O-N 3.15Å; D295-K302 PolarHBondContact O-NZ 3.01Å |
| 296 | G | 94.2 | Very high | 94.1 | Very high | 61 Ų | 61 | 68.5 Ų | 68.5 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | T292 M293 W294 | T292-G296 PolarHBondContact O-N 2.9Å; T292-G296 VanDerWaalsContact O-N 3.13Å; M293-G296 PolarHBondContact O-N 2.93Å; W294-G296 VanDerWaalsContact C-N 3.26Å; W294-G296 PolarHBondContact O-N 3.35Å |
| 297 | L | 93.5 | Very high | 94.2 | Very high | 45 Ų | 45 | 73.7 Ų | 73.7 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -75.2 | 137.9 | 172.5 | -76.1 | -175.5 | 0 | 0 | 0 | 111.9 | F266 M293 W294 D295 A301 K302 Y305 | F266-L297 HydrophobicContact CD2-CD1 3.92Å; F266-L297 HydrophobicContact CE2-CD1 3.59Å; F266-L297 HydrophobicContact CE2-CG 4.33Å; F266-L297 HydrophobicContact CZ-CD1 4.01Å; F266-L297 HydrophobicContact CZ-CG 4.42Å; M293-L297 WeakPolarHBondContact O-CG 3.13Å; M293-L297 PolarHBondContact O-N 2.97Å; W294-L297 HydrophobicContact CE3-CD1 3.89Å; W294-L297 HydrophobicContact CZ3-CD1 4.19Å; W294-L297 WeakPolarHBondContact O-CB 3.48Å; W294-L297 PolarHBondContact O-N 3.15Å; W294-L297 VanDerWaalsContact O-N 3.08Å; D295-L297 VanDerWaalsContact C-N 3.33Å; D295-L297 PolarHBondContact O-N 3.15Å; L297-A301 HydrophobicContact CB-CB 4.27Å; L297-A301 HydrophobicContact CD1-CB 4.32Å; L297-A301 HydrophobicContact CD2-CB 4.11Å; L297-A301 HydrophobicContact CG-CB 4.48Å; L297-K302 HydrophobicContact CB-CD 4.47Å; L297-K302 HydrophobicContact CB-CG 3.99Å; L297-K302 WeakPolarHBondContact O-CD 3.29Å; L297-K302 VanDerWaalsContact O-CE 3.23Å; L297-K302 WeakPolarHBondContact O-CE 3.45Å; L297-K302 PolarHBondContact O-NZ 3.26Å; L297-Y305 HydrophobicContact CD1-CD2 4.37Å; L297-Y305 HydrophobicContact CD1-CE2 4.09Å |
| 298 | N | 94.1 | Very high | 94.2 | Very high | 118 Ų | 118 | 77 Ų | 77 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | trans | -57 | 155.9 | 169.4 | -66.7 | 4.1 | 0 | 0 | 0 | 112 | D300 A301 K302 | N298-D300 PolarHBondContact O-N 3.36Å; N298-A301 PolarHBondContact O-N 3.01Å; N298-K302 PolarHBondContact O-N 3.4Å | ||
| 299 | S | 92.5 | Very high | 94.2 | Very high | 87 Ų | 87 | 70.9 Ų | 70.9 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -50.3 | -43.3 | 174 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | K302 N303 | S299-K302 PolarHBondContact O-N 3.29Å; S299-N303 WeakPolarHBondContact O-CB 3.32Å; S299-N303 PolarHBondContact O-N 3.47Å |
| 300 | D | 94.4 | Very high | 94.3 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 60% | 0.599 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.9 | -44.2 | -178.2 | -49.3 | -54.6 | 0 | 0 | 0 | 111.8 | N298 K302 N303 V304 | N298-D300 PolarHBondContact O-N 3.36Å; D300-K302 PolarHBondContact O-N 3.13Å; D300-N303 WeakPolarHBondContact O-CB 3.31Å; D300-N303 PolarHBondContact O-N 3.35Å; D300-N303 VanDerWaalsContact O-N 3.11Å; D300-V304 WeakPolarHBondContact O-CG2 3.39Å; D300-V304 PolarHBondContact O-N 2.73Å |
| 301 | A | 93.3 | Very high | 94.3 | Very high | 35 Ų | 35 | 75.6 Ų | 75.6 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | L297 N298 N303 V304 Y305 | L297-A301 HydrophobicContact CB-CB 4.27Å; L297-A301 HydrophobicContact CD1-CB 4.32Å; L297-A301 HydrophobicContact CD2-CB 4.11Å; L297-A301 HydrophobicContact CG-CB 4.48Å; N298-A301 PolarHBondContact O-N 3.01Å; A301-N303 VanDerWaalsContact C-N 3.29Å; A301-N303 PolarHBondContact O-N 3.21Å; A301-V304 PolarHBondContact O-N 3.48Å; A301-Y305 WeakPolarHBondContact O-CD2 3.43Å; A301-Y305 PolarHBondContact O-N 3.44Å |
| 302 | K | 93.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 76 Ų | 76 | 22% | 0.222 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 172.3 | -73.1 | 169.2 | 171.8 | 146.4 | 0 | 111.7 | W294 D295 L297 N298 S299 D300 Y305 K306 | W294-K302 HydrophobicContact CE3-CG 4.5Å; W294-K302 HydrophobicContact CH2-CB 4.2Å; W294-K302 HydrophobicContact CH2-CG 3.93Å; W294-K302 HydrophobicContact CZ2-CB 4.5Å; W294-K302 HydrophobicContact CZ2-CG 4.01Å; W294-K302 HydrophobicContact CZ3-CG 4.18Å; W294-K302 WeakPolarHBondContact O-CE 3.47Å; W294-K302 PolarHBondContact O-NZ 3.27Å; W294-K302 VanDerWaalsContact O-NZ 3.14Å; D295-K302 PolarHBondContact O-NZ 3.01Å; L297-K302 HydrophobicContact CB-CD 4.47Å; L297-K302 HydrophobicContact CB-CG 3.99Å; L297-K302 WeakPolarHBondContact O-CD 3.29Å; L297-K302 VanDerWaalsContact O-CE 3.23Å; L297-K302 WeakPolarHBondContact O-CE 3.45Å; L297-K302 PolarHBondContact O-NZ 3.26Å; N298-K302 PolarHBondContact O-N 3.4Å; S299-K302 PolarHBondContact O-N 3.29Å; D300-K302 PolarHBondContact O-N 3.13Å; K302-Y305 PolarHBondContact O-N 3.43Å; K302-K306 PolarHBondContact O-N 2.85Å |
| 303 | N | 94.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 77.2 Ų | 77.2 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 178.7 | -161.5 | 10.9 | 0 | 0 | 0 | 112.2 | S299 D300 A301 Y305 K306 Q307 | S299-N303 WeakPolarHBondContact O-CB 3.32Å; S299-N303 PolarHBondContact O-N 3.47Å; D300-N303 WeakPolarHBondContact O-CB 3.31Å; D300-N303 PolarHBondContact O-N 3.35Å; D300-N303 VanDerWaalsContact O-N 3.11Å; A301-N303 VanDerWaalsContact C-N 3.29Å; A301-N303 PolarHBondContact O-N 3.21Å; N303-Y305 VanDerWaalsContact C-N 3.26Å; N303-Y305 PolarHBondContact O-N 3.36Å; N303-K306 WeakPolarHBondContact O-CA 3.43Å; N303-K306 WeakPolarHBondContact O-CB 3.35Å; N303-K306 PolarHBondContact O-N 3.18Å; N303-Q307 WeakPolarHBondContact O-CG 3.19Å; N303-Q307 PolarHBondContact O-N 2.87Å |
| 304 | V | 95.3 | Very high | 94 | Very high | 71 Ų | 71 | 79.7 Ų | 79.7 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.2 | -39.5 | 172.1 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | D300 A301 K308 | D300-V304 WeakPolarHBondContact O-CG2 3.39Å; D300-V304 PolarHBondContact O-N 2.73Å; A301-V304 PolarHBondContact O-N 3.48Å; V304-K308 HydrophobicContact CG1-CD 4.35Å; V304-K308 WeakPolarHBondContact O-CB 3.45Å; V304-K308 VanDerWaalsContact O-CG 3.29Å; V304-K308 WeakPolarHBondContact O-CG 3.49Å; V304-K308 PolarHBondContact O-N 3.07Å |
| 305 | Y | 95.3 | Very high | 93.9 | Very high | 41 Ų | 41 | 80.7 Ų | 80.7 | 16% | 0.161 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.9 | -32.1 | 174.4 | -70.2 | -74.5 | 0 | 0 | 0 | 113.3 | L265 F266 W294 L297 A301 K302 N303 K308 T309 | L265-Y305 HydrophobicContact CD2-CD1 3.63Å; L265-Y305 HydrophobicContact CD2-CE1 3.88Å; F266-Y305 HydrophobicContact CB-CD1 4.14Å; F266-Y305 HydrophobicContact CB-CD2 4.5Å; F266-Y305 HydrophobicContact CB-CE1 4.16Å; F266-Y305 HydrophobicContact CB-CG 4.35Å; F266-Y305 HydrophobicContact CD2-CD2 4.34Å; F266-Y305 HydrophobicContact CD2-CE1 4.25Å; F266-Y305 AromaticContact CD2-CE2 3.7Å; F266-Y305 HydrophobicContact CD2-CE2 3.7Å; F266-Y305 AromaticContact CD2-CZ 3.66Å; F266-Y305 HydrophobicContact CE2-CE2 4.43Å; W294-Y305 AromaticContact CZ3-CD2 3.98Å; W294-Y305 HydrophobicContact CZ3-CD2 3.98Å; W294-Y305 HydrophobicContact CZ3-CG 4.22Å; L297-Y305 HydrophobicContact CD1-CD2 4.37Å; L297-Y305 HydrophobicContact CD1-CE2 4.09Å; A301-Y305 WeakPolarHBondContact O-CD2 3.43Å; A301-Y305 PolarHBondContact O-N 3.44Å; K302-Y305 PolarHBondContact O-N 3.43Å; N303-Y305 VanDerWaalsContact C-N 3.26Å; N303-Y305 PolarHBondContact O-N 3.36Å; Y305-K308 HydrophobicContact CD1-CD 4.49Å; Y305-T309 WeakPolarHBondContact O-CB 3.4Å; Y305-T309 PolarHBondContact O-N 2.89Å; Y305-T309 VanDerWaalsContact O-N 3.12Å; Y305-T309 PolarHBondContact O-OG1 3.16Å |
| 306 | K | 93.9 | Very high | 93.8 | Very high | 117 Ų | 117 | 76.7 Ų | 76.7 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -52.5 | 171.1 | -68.5 | -179 | 178.2 | -174.4 | 0 | 111.2 | A262 K302 N303 K308 T309 E310 | A262-K306 HydrophobicContact CB-CG 4.2Å; K302-K306 PolarHBondContact O-N 2.85Å; N303-K306 WeakPolarHBondContact O-CA 3.43Å; N303-K306 WeakPolarHBondContact O-CB 3.35Å; N303-K306 PolarHBondContact O-N 3.18Å; K306-K308 PolarHBondContact O-N 3.38Å; K306-T309 CarbonylContact O-C 3.59Å; K306-T309 WeakPolarHBondContact O-CA 3.45Å; K306-T309 VanDerWaalsContact O-CB 3.25Å; K306-T309 WeakPolarHBondContact O-CB 3.47Å; K306-T309 PolarHBondContact O-N 3.47Å; K306-E310 WeakPolarHBondContact O-CG 3.18Å; K306-E310 PolarHBondContact O-N 2.82Å |
| 307 | Q | 95.4 | Very high | 93.7 | Very high | 113 Ų | 113 | 78.3 Ų | 78.3 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 178.7 | -67.2 | 177.9 | 18.5 | 0 | 0 | 112.6 | N303 T309 E310 S311 | N303-Q307 WeakPolarHBondContact O-CG 3.19Å; N303-Q307 PolarHBondContact O-N 2.87Å; Q307-T309 VanDerWaalsContact C-N 3.29Å; Q307-T309 PolarHBondContact O-N 2.97Å; Q307-E310 PolarHBondContact O-N 2.9Å; Q307-S311 PolarHBondContact O-N 3.49Å |
| 308 | K | 93.9 | Very high | 93.7 | Very high | 97 Ų | 97 | 82.7 Ų | 82.7 | 42% | 0.422 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 171.9 | -77.8 | 175.4 | 178.2 | -177.9 | 0 | 112.3 | L265 V304 Y305 K306 A312 | L265-K308 HydrophobicContact CD1-CB 4.47Å; L265-K308 HydrophobicContact CD2-CD 4.1Å; V304-K308 HydrophobicContact CG1-CD 4.35Å; V304-K308 WeakPolarHBondContact O-CB 3.45Å; V304-K308 VanDerWaalsContact O-CG 3.29Å; V304-K308 WeakPolarHBondContact O-CG 3.49Å; V304-K308 PolarHBondContact O-N 3.07Å; Y305-K308 HydrophobicContact CD1-CD 4.49Å; K306-K308 PolarHBondContact O-N 3.38Å; K308-A312 WeakPolarHBondContact O-CB 3.19Å; K308-A312 PolarHBondContact O-N 3.27Å |
| 309 | T | 93.9 | Very high | 93.5 | Very high | 26 Ų | 26 | 82.4 Ų | 82.4 | 16% | 0.16 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 177.4 | -59 | 0 | 0 | 0 | 0 | 111.7 | V260 A262 Y305 K306 Q307 A312 K313 | V260-T309 VanDerWaalsContact O-CG2 3.32Å; V260-T309 WeakPolarHBondContact O-CG2 3.34Å; A262-T309 WeakPolarHBondContact CA-OG1 3.48Å; A262-T309 PolarHBondContact N-OG1 2.82Å; A262-T309 VanDerWaalsContact N-OG1 3.11Å; Y305-T309 WeakPolarHBondContact O-CB 3.4Å; Y305-T309 PolarHBondContact O-N 2.89Å; Y305-T309 VanDerWaalsContact O-N 3.12Å; Y305-T309 PolarHBondContact O-OG1 3.16Å; K306-T309 CarbonylContact O-C 3.59Å; K306-T309 WeakPolarHBondContact O-CA 3.45Å; K306-T309 VanDerWaalsContact O-CB 3.25Å; K306-T309 WeakPolarHBondContact O-CB 3.47Å; K306-T309 PolarHBondContact O-N 3.47Å; Q307-T309 VanDerWaalsContact C-N 3.29Å; Q307-T309 PolarHBondContact O-N 2.97Å; T309-A312 PolarHBondContact O-N 3.35Å; T309-K313 WeakPolarHBondContact O-CB 3.25Å; T309-K313 PolarHBondContact O-N 2.84Å |
| 310 | E | 94.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 79.4 Ų | 79.4 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 178.2 | -72 | 168.6 | -166.1 | 0 | 0 | 112.3 | K306 Q307 K313 K314 | K306-E310 WeakPolarHBondContact O-CG 3.18Å; K306-E310 PolarHBondContact O-N 2.82Å; Q307-E310 PolarHBondContact O-N 2.9Å; E310-K313 WeakPolarHBondContact O-CB 3.36Å; E310-K313 PolarHBondContact O-N 3.36Å; E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 3.08Å |
| 311 | S | 95 | Very high | 93.2 | Very high | 63 Ų | 63 | 77 Ų | 77 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 172.1 | -165 | 0 | 0 | 0 | 0 | 110.6 | Q307 K313 K314 D315 | Q307-S311 PolarHBondContact O-N 3.49Å; S311-K313 PolarHBondContact O-N 3.06Å; S311-K314 PolarHBondContact O-N 3.02Å; S311-K314 VanDerWaalsContact O-N 3.08Å; S311-D315 PolarHBondContact O-N 2.92Å |
| 312 | A | 93.5 | Very high | 93 | Very high | 39 Ų | 39 | 77.7 Ų | 77.7 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -31.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P259 K308 T309 Y316 | P259-A312 HydrophobicContact CB-CB 4.05Å; K308-A312 WeakPolarHBondContact O-CB 3.19Å; K308-A312 PolarHBondContact O-N 3.27Å; T309-A312 PolarHBondContact O-N 3.35Å; A312-Y316 WeakPolarHBondContact O-CB 3.34Å; A312-Y316 PolarHBondContact O-N 2.01Å |
| 313 | K | 91.9 | Very high | 92.8 | Very high | 127 Ų | 127 | 78.2 Ų | 78.2 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.5 | -43.3 | 172.9 | -171.9 | -179 | 178.7 | -176.2 | 0 | 112 | P259 T309 E310 S311 Y316 L317 | P259-K313 HydrophobicContact CG-CB 4.08Å; P259-K313 HydrophobicContact CG-CG 4.36Å; T309-K313 WeakPolarHBondContact O-CB 3.25Å; T309-K313 PolarHBondContact O-N 2.84Å; E310-K313 WeakPolarHBondContact O-CB 3.36Å; E310-K313 PolarHBondContact O-N 3.36Å; S311-K313 PolarHBondContact O-N 3.06Å; K313-Y316 PolarHBondContact O-N 2.87Å; K313-L317 WeakPolarHBondContact O-CG 3.47Å; K313-L317 PolarHBondContact O-N 3.38Å; K313-L317 VanDerWaalsContact O-N 3.07Å |
| 314 | K | 92.9 | Very high | 92.5 | Very high | 139 Ų | 139 | 82.1 Ų | 82.1 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 174.4 | -70.5 | 173.4 | -178.4 | 178.3 | 0 | 111.1 | E310 S311 L317 K318 | E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 3.08Å; S311-K314 PolarHBondContact O-N 3.02Å; S311-K314 VanDerWaalsContact O-N 3.08Å; K314-L317 PolarHBondContact O-N 3.47Å; K314-K318 WeakPolarHBondContact O-CG 3.28Å; K314-K318 PolarHBondContact O-N 3.07Å; K314-K318 VanDerWaalsContact O-N 3.16Å |
| 315 | D | 93.2 | Very high | 92.2 | Very high | 63 Ų | 63 | 81.4 Ų | 81.4 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.2 | -35.8 | 179.3 | -63.3 | -34.4 | 0 | 0 | 0 | 112.6 | S311 L317 K318 Q319 | S311-D315 PolarHBondContact O-N 2.92Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 3.45Å; D315-K318 PolarHBondContact O-N 3.2Å; D315-K318 IonicContact OD1-NZ 3.74Å; D315-Q319 WeakPolarHBondContact O-CB 3.46Å; D315-Q319 VanDerWaalsContact O-CG 3.29Å; D315-Q319 WeakPolarHBondContact O-CG 3.31Å; D315-Q319 PolarHBondContact O-N 2.88Å |
| 316 | Y | 92.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 83.8 Ų | 83.8 | 11% | 0.114 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 170.8 | 171.3 | -105.6 | 0 | 0 | 0 | 112.1 | P256 Q257 K258 A312 K313 Q319 L320 | P256-Y316 HydrophobicContact CB-CD2 3.87Å; P256-Y316 HydrophobicContact CB-CE2 3.89Å; P256-Y316 HydrophobicContact CG-CD2 4.34Å; P256-Y316 HydrophobicContact CG-CE2 3.96Å; P256-Y316 WeakPolarHBondContact O-CE2 3.19Å; Q257-Y316 VanDerWaalsContact O-CD2 3.28Å; Q257-Y316 WeakPolarHBondContact O-CD2 3.32Å; K258-Y316 HydrophobicContact CG-CE1 4.37Å; K258-Y316 HydrophobicContact CG-CE2 4.15Å; K258-Y316 WeakPolarHBondContact CG-OH 3.45Å; A312-Y316 WeakPolarHBondContact O-CB 3.34Å; A312-Y316 PolarHBondContact O-N 2.01Å; K313-Y316 PolarHBondContact O-N 2.87Å; Y316-Q319 PolarHBondContact O-N 3.28Å; Y316-L320 HydrophobicContact CE1-CD2 4.15Å; Y316-L320 VanDerWaalsContact O-CB 3.25Å; Y316-L320 WeakPolarHBondContact O-CB 3.47Å; Y316-L320 PolarHBondContact O-N 3.1Å |
| 317 | L | 91.3 | Very high | 91.3 | Very high | 96 Ų | 96 | 81.8 Ų | 81.8 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 178.4 | -69.6 | 170.8 | 0 | 0 | 0 | 111.9 | K313 K314 D315 L320 A321 | K313-L317 WeakPolarHBondContact O-CG 3.47Å; K313-L317 PolarHBondContact O-N 3.38Å; K313-L317 VanDerWaalsContact O-N 3.07Å; K314-L317 PolarHBondContact O-N 3.47Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 PolarHBondContact O-N 3.45Å; L317-L320 PolarHBondContact O-N 3.23Å; L317-A321 PolarHBondContact O-N 3.18Å |
| 318 | K | 92.4 | Very high | 90.7 | Very high | 137 Ų | 137 | 82.2 Ų | 82.2 | 60% | 0.596 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.5 | -47 | 173.2 | -68.6 | 172.6 | -176.8 | 171.4 | 0 | 111.9 | K314 D315 L320 A321 A322 | K314-K318 WeakPolarHBondContact O-CG 3.28Å; K314-K318 PolarHBondContact O-N 3.07Å; K314-K318 VanDerWaalsContact O-N 3.16Å; D315-K318 PolarHBondContact O-N 3.2Å; D315-K318 IonicContact OD1-NZ 3.74Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 2.96Å; K318-A321 PolarHBondContact O-N 2.78Å; K318-A322 WeakPolarHBondContact O-CB 3.37Å; K318-A322 PolarHBondContact O-N 3.4Å |
| 319 | Q | 90.8 | Very high | 89.9 | Confident | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 177.2 | -70.5 | 173.5 | 30.3 | 0 | 0 | 112 | P256 D315 Y316 A322 Y323 | P256-Q319 HydrophobicContact CB-CB 3.89Å; P256-Q319 HydrophobicContact CG-CB 4.41Å; D315-Q319 WeakPolarHBondContact O-CB 3.46Å; D315-Q319 VanDerWaalsContact O-CG 3.29Å; D315-Q319 WeakPolarHBondContact O-CG 3.31Å; D315-Q319 PolarHBondContact O-N 2.88Å; Y316-Q319 PolarHBondContact O-N 3.28Å; Q319-A322 PolarHBondContact O-N 3.34Å; Q319-Y323 WeakPolarHBondContact O-CB 3.43Å; Q319-Y323 PolarHBondContact O-N 2.94Å |
| 320 | L | 89.6 | Confident | 88.8 | Confident | 25 Ų | 25 | 86.1 Ų | 86.1 | 13% | 0.131 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 176.5 | -176.8 | 62.9 | 0 | 0 | 0 | 111.9 | P256 Y316 L317 K318 Y323 R324 | P256-L320 HydrophobicContact CG-CB 4.23Å; P256-L320 HydrophobicContact CG-CD1 4.2Å; Y316-L320 HydrophobicContact CE1-CD2 4.15Å; Y316-L320 VanDerWaalsContact O-CB 3.25Å; Y316-L320 WeakPolarHBondContact O-CB 3.47Å; Y316-L320 PolarHBondContact O-N 3.1Å; L317-L320 PolarHBondContact O-N 3.23Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 2.96Å; L320-Y323 PolarHBondContact O-N 3.36Å; L320-R324 WeakPolarHBondContact O-CB 3.48Å; L320-R324 VanDerWaalsContact O-CG 3.24Å; L320-R324 WeakPolarHBondContact O-CG 3.25Å; L320-R324 PolarHBondContact O-N 3.17Å |
| 321 | A | 90.2 | Very high | 87.1 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 50% | 0.496 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L317 K318 Y323 R324 A325 | L317-A321 PolarHBondContact O-N 3.18Å; K318-A321 PolarHBondContact O-N 2.78Å; A321-Y323 PolarHBondContact O-N 2.8Å; A321-R324 PolarHBondContact O-N 2.82Å; A321-A325 PolarHBondContact O-N 3.24Å |
| 322 | A | 90.5 | Very high | 85.2 | Confident | 50 Ų | 50 | 86 Ų | 86 | 41% | 0.413 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K318 Q319 A325 N326 | K318-A322 WeakPolarHBondContact O-CB 3.37Å; K318-A322 PolarHBondContact O-N 3.4Å; Q319-A322 PolarHBondContact O-N 3.34Å; A322-A325 PolarHBondContact O-N 3.09Å; A322-N326 WeakPolarHBondContact O-CB 2.88Å; A322-N326 PolarHBondContact O-N 3.26Å; A322-N326 PolarHBondContact O-ND2 2.82Å |
| 323 | Y | 89.3 | Confident | 83.5 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 24% | 0.243 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.3 | 177.1 | -95.7 | 0 | 0 | 0 | 111.6 | N254 Q319 L320 A321 N326 L327 | N254-Y323 HydrophobicContact CB-CE2 4.28Å; N254-Y323 WeakPolarHBondContact O-CD2 2.96Å; N254-Y323 WeakPolarHBondContact O-CE2 3.49Å; Q319-Y323 WeakPolarHBondContact O-CB 3.43Å; Q319-Y323 PolarHBondContact O-N 2.94Å; L320-Y323 PolarHBondContact O-N 3.36Å; A321-Y323 PolarHBondContact O-N 2.8Å; Y323-N326 PolarHBondContact O-N 3.01Å; Y323-L327 WeakPolarHBondContact O-CB 3.32Å; Y323-L327 PolarHBondContact O-N 3.32Å |
| 324 | R | 87.9 | Confident | 81.6 | Confident | 154 Ų | 154 | 90.7 Ų | 90.7 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.6 | -45.1 | 174.8 | -74.5 | 168.8 | 174.7 | 176.8 | -3.7 | 111.6 | L320 A321 N326 L327 L328 | L320-R324 WeakPolarHBondContact O-CB 3.48Å; L320-R324 VanDerWaalsContact O-CG 3.24Å; L320-R324 WeakPolarHBondContact O-CG 3.25Å; L320-R324 PolarHBondContact O-N 3.17Å; A321-R324 PolarHBondContact O-N 2.82Å; R324-N326 VanDerWaalsContact C-N 3.35Å; R324-N326 PolarHBondContact O-N 3.29Å; R324-L327 PolarHBondContact O-N 2.07Å; R324-L327 VanDerWaalsContact O-N 3.16Å; R324-L328 WeakPolarHBondContact O-CG 3.42Å; R324-L328 PolarHBondContact O-N 3.13Å |
| 325 | A | 88.1 | Confident | 79.2 | Confident | 56 Ų | 56 | 88 Ų | 88 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | A321 A322 L327 L328 S329 | A321-A325 PolarHBondContact O-N 3.24Å; A322-A325 PolarHBondContact O-N 3.09Å; A325-L327 VanDerWaalsContact C-N 3.33Å; A325-L327 PolarHBondContact O-N 3.43Å; A325-L328 PolarHBondContact O-N 3.4Å; A325-S329 PolarHBondContact O-N 2.97Å; A325-S329 PolarHBondContact O-OG 2.81Å |
| 326 | N | 87 | Confident | 76.9 | Confident | 90 Ų | 90 | 90.3 Ų | 90.3 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.7 | -26.8 | 174.9 | -83.4 | -82.8 | 0 | 0 | 0 | 113.6 | A322 Y323 R324 S329 K330 | A322-N326 WeakPolarHBondContact O-CB 2.88Å; A322-N326 PolarHBondContact O-N 3.26Å; A322-N326 PolarHBondContact O-ND2 2.82Å; Y323-N326 PolarHBondContact O-N 3.01Å; R324-N326 VanDerWaalsContact C-N 3.35Å; R324-N326 PolarHBondContact O-N 3.29Å; N326-S329 WeakPolarHBondContact CA-OG 3.17Å; N326-S329 PolarHBondContact O-OG 2.8Å; N326-K330 WeakPolarHBondContact O-CB 3.48Å; N326-K330 VanDerWaalsContact O-CG 3.3Å; N326-K330 WeakPolarHBondContact O-CG 3.15Å; N326-K330 PolarHBondContact O-N 3.02Å |
| 327 | L | 83.7 | Confident | 74.4 | Confident | 76 Ų | 76 | 94 Ų | 94 | 40% | 0.398 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.4 | -42 | 175.2 | -168.8 | 64.9 | 0 | 0 | 0 | 110.7 | Y323 R324 A325 K330 Q331 | Y323-L327 WeakPolarHBondContact O-CB 3.32Å; Y323-L327 PolarHBondContact O-N 3.32Å; R324-L327 PolarHBondContact O-N 2.07Å; R324-L327 VanDerWaalsContact O-N 3.16Å; A325-L327 VanDerWaalsContact C-N 3.33Å; A325-L327 PolarHBondContact O-N 3.43Å; L327-K330 PolarHBondContact O-N 2.87Å; L327-Q331 WeakPolarHBondContact O-CG 3.24Å; L327-Q331 PolarHBondContact O-N 3.34Å; L327-Q331 VanDerWaalsContact O-N 3.12Å |
| 328 | L | 81.8 | Confident | 72.3 | Confident | 122 Ų | 122 | 97.4 Ų | 97.4 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.8 | -44.3 | 173.7 | -68.3 | 168.8 | 0 | 0 | 0 | 112 | R324 A325 K330 Q331 G332 | R324-L328 WeakPolarHBondContact O-CG 3.42Å; R324-L328 PolarHBondContact O-N 3.13Å; A325-L328 PolarHBondContact O-N 3.4Å; L328-K330 VanDerWaalsContact C-N 3.35Å; L328-K330 PolarHBondContact O-N 3.4Å; L328-Q331 PolarHBondContact O-N 3.44Å; L328-G332 PolarHBondContact O-N 2.86Å |
| 329 | S | 77.4 | Confident | 70.3 | Confident | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.4 | -30.7 | 178.5 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | A325 N326 G332 | A325-S329 PolarHBondContact O-N 2.97Å; A325-S329 PolarHBondContact O-OG 2.81Å; N326-S329 WeakPolarHBondContact CA-OG 3.17Å; N326-S329 PolarHBondContact O-OG 2.8Å; S329-G332 PolarHBondContact O-N 3.48Å |
| 330 | K | 70.5 | Confident | 68.1 | Low | 133 Ų | 133 | 100.8 Ų | 100.8 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.4 | -41.3 | 174.5 | -79.8 | -179.4 | 177.4 | -173.5 | 0 | 112.8 | N326 L327 L328 G332 N333 | N326-K330 WeakPolarHBondContact O-CB 3.48Å; N326-K330 VanDerWaalsContact O-CG 3.3Å; N326-K330 WeakPolarHBondContact O-CG 3.15Å; N326-K330 PolarHBondContact O-N 3.02Å; L327-K330 PolarHBondContact O-N 2.87Å; L328-K330 VanDerWaalsContact C-N 3.35Å; L328-K330 PolarHBondContact O-N 3.4Å; K330-G332 PolarHBondContact O-N 3.37Å; K330-G332 VanDerWaalsContact O-N 3.16Å; K330-N333 PolarHBondContact O-N 2.93Å |
| 331 | Q | 59.2 | Low | 66.2 | Low | 104 Ų | 104 | 104.4 Ų | 104.4 | 49% | 0.486 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65 | -12.3 | 174.3 | -69.7 | 172.7 | 6.5 | 0 | 0 | 113.2 | L327 L328 | L327-Q331 WeakPolarHBondContact O-CG 3.24Å; L327-Q331 PolarHBondContact O-N 3.34Å; L327-Q331 VanDerWaalsContact O-N 3.12Å; L328-Q331 PolarHBondContact O-N 3.44Å |
| 332 | G | 55.5 | Low | 63.7 | Low | 62 Ų | 62 | 108.2 Ų | 108.2 | 64% | 0.639 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -8.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L328 S329 K330 | L328-G332 PolarHBondContact O-N 2.86Å; S329-G332 PolarHBondContact O-N 3.48Å; K330-G332 PolarHBondContact O-N 3.37Å; K330-G332 VanDerWaalsContact O-N 3.16Å |
| 333 | N | 56.8 | Low | 61.7 | Low | 148 Ų | 148 | 108.2 Ų | 108.2 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -94.4 | -14.6 | 177.7 | -87.8 | -54.1 | 0 | 0 | 0 | 113.6 | K330 G335 | K330-N333 PolarHBondContact O-N 2.93Å; N333-G335 PolarHBondContact O-N 3.47Å |
| 334 | D | 52.1 | Low | 59.6 | Low | 115 Ų | 115 | 112.2 Ų | 112.2 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -91.7 | 89.1 | 173.1 | 5.6 | -43.5 | 0 | 0 | 0 | 108.2 | S336 | D334-S336 PolarHBondContact O-N 3.46Š|
| 335 | G | 42.8 | Very low | 57.4 | Low | 84 Ų | 84 | 114.2 Ų | 114.2 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -63.3 | 85.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N333 | N333-G335 PolarHBondContact O-N 3.47Š|
| 336 | S | 44.8 | Very low | 55.4 | Low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -167 | 50 | 162 | -176.2 | 0 | 0 | 0 | 0 | 113.3 | D334 | D334-S336 PolarHBondContact O-N 3.46Š| ||
| 337 | C | 41.4 | Very low | 53.6 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 72% | 0.723 | 69% | 0.692 | S | S | * | * | trans | -135.1 | 94.9 | 172.9 | -81.2 | 0 | 0 | 0 | 0 | 111.8 | L339 | C337-L339 VanDerWaalsContact C-N 3.27Å; C337-L339 PolarHBondContact O-N 3.26Å | ||
| 338 | I | 45.8 | Very low | 51.8 | Low | 167 Ų | 167 | 124.8 Ų | 124.8 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | -78.3 | 82.9 | 165.8 | -57.2 | -177.9 | 0 | 0 | 0 | 108.1 | ||||
| 339 | L | 50.6 | Low | 50.1 | Low | 158 Ų | 158 | 128.3 Ų | 128.3 | 83% | 0.827 | 71% | 0.707 | S | S | * | * | trans | -112.8 | 92.8 | 157 | -91.5 | 169 | 0 | 0 | 0 | 107.5 | C337 | C337-L339 VanDerWaalsContact C-N 3.27Å; C337-L339 PolarHBondContact O-N 3.26Å | ||
| 340 | Q | 45.4 | Very low | 48.7 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -59.1 | 125.4 | 179.1 | -173.6 | 176.2 | -44.2 | 0 | 0 | 109.7 | C342 | Q340-C342 PolarHBondContact O-N 2.82Å; Q340-C342 VanDerWaalsContact O-N 3.07Å | ||
| 341 | P | 50.5 | Low | 47.2 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | trans | -63.8 | 114.4 | 178.4 | -20.1 | 31.8 | 0 | 0 | 0 | 110.2 | G343 | P341-G343 PolarHBondContact O-N 2.79Š| ||
| 342 | C | 37.5 | Very low | 46.3 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 94% | 0.939 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 59.6 | 166.8 | -65.9 | 0 | 0 | 0 | 0 | 109.8 | Q340 | Q340-C342 PolarHBondContact O-N 2.82Å; Q340-C342 VanDerWaalsContact O-N 3.07Å |
| 343 | G | 47.5 | Very low | 45.4 | Very low | 51 Ų | 51 | 144 Ų | 144 | 53% | 0.526 | 75% | 0.754 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123 | -16.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | P341 | P341-G343 PolarHBondContact O-N 2.79Š|
| 344 | E | 45.6 | Very low | 44.6 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -93.6 | -10.6 | -174.6 | -88.8 | 167.5 | 123.6 | 0 | 0 | 115.2 | F346 | E344-F346 VanDerWaalsContact C-N 3.32Å; E344-F346 PolarHBondContact O-N 3.48Å |
| 345 | Y | 42.2 | Very low | 43.7 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -72 | -22.6 | 176.1 | -98.9 | -91.6 | 0 | 0 | 0 | 113.9 | N347 Q348 | Y345-N347 VanDerWaalsContact C-N 3.3Å; Y345-N347 PolarHBondContact O-N 3.38Å; Y345-Q348 PolarHBondContact O-N 2.92Å |
| 346 | F | 45.4 | Very low | 43.7 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -76.1 | -13.8 | -176.4 | -140.7 | -94.5 | 0 | 0 | 0 | 114.1 | E344 | E344-F346 VanDerWaalsContact C-N 3.32Å; E344-F346 PolarHBondContact O-N 3.48Å |
| 347 | N | 48.4 | Very low | 43.2 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -95 | -16 | 174.6 | -99.4 | -79.6 | 0 | 0 | 0 | 114 | Y345 | Y345-N347 VanDerWaalsContact C-N 3.3Å; Y345-N347 PolarHBondContact O-N 3.38Å |
| 348 | Q | 46.9 | Very low | 43.2 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -21 | -171.2 | -63.1 | -177.5 | 18.4 | 0 | 0 | 113.9 | Y345 K350 | Y345-Q348 PolarHBondContact O-N 2.92Å; Q348-K350 PolarHBondContact O-N 2.98Å |
| 349 | R | 46.7 | Very low | 42.6 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 4.1 | 178.6 | -106.8 | -177 | 177.9 | 179.8 | 0.1 | 115.3 | D471 | R349-D471 IonicContact NH1-OD2 3.94Š|
| 350 | K | 47.4 | Very low | 42.1 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -3.3 | -179.7 | -116 | 178.3 | -175.1 | 174.4 | 0 | 115.7 | Q348 | Q348-K350 PolarHBondContact O-N 2.98Š|
| 351 | F | 39.5 | Very low | 41.8 | Very low | 184 Ų | 184 | 147 Ų | 147 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -136.4 | 65.7 | -175.6 | -74.4 | -81.4 | 0 | 0 | 0 | 113.8 | ||||
| 352 | L | 39.4 | Very low | 41.4 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -136.2 | 93.1 | 160.9 | -71.9 | 175.8 | 0 | 0 | 0 | 109.5 | ||||
| 353 | F | 36.2 | Very low | 41.5 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -134.5 | 140.2 | 164.1 | -123.1 | -91.2 | 0 | 0 | 0 | 109.3 | ||||
| 354 | P | 41.6 | Very low | 41.3 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -78.8 | 152.2 | -160.7 | -16.2 | 33 | 0 | 0 | 0 | 114.5 | ||||
| 355 | Q | 32.9 | Very low | 41 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -69.5 | 132.6 | 173.2 | -68.8 | -79.2 | 9.4 | 0 | 0 | 111.7 | F357 | Q355-F357 HydrophobicContact CB-CE2 4.47Š| ||
| 356 | T | 41.5 | Very low | 40.8 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -138.5 | 105.9 | 160.6 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 357 | F | 34.7 | Very low | 40.5 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -79.2 | 155.3 | 172 | -65.9 | -90 | 0 | 0 | 0 | 111.3 | Q355 | Q355-F357 HydrophobicContact CB-CE2 4.47Š| ||
| 358 | P | 41.9 | Very low | 39.9 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -124.4 | 147.6 | 137.1 | 34.7 | -27 | 0 | 0 | 0 | 112.6 | ||||
| 359 | D | 33.2 | Very low | 39.3 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -53.5 | 144.6 | 174 | -91.2 | -57.1 | 0 | 0 | 0 | 114 | ||||
| 360 | S | 40.8 | Very low | 38.8 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | -176.1 | 132.4 | 118.7 | -79.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 361 | T | 38.9 | Very low | 38.2 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -63.2 | 149.3 | 179.9 | 43.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 362 | G | 40.3 | Very low | 38 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 158.5 | 82.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 363 | V | 41.3 | Very low | 38 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 37.7 | 119.5 | 99.5 | -150.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 364 | I | 42 | Very low | 38.3 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | -169.2 | 120 | 70.2 | -65.9 | 150.2 | 0 | 0 | 0 | 106.5 | |||||
| 365 | T | 40.5 | Very low | 38.2 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 64% | 0.638 | 78% | 0.784 | S | S | * | * | 82.3 | 114.9 | 85 | -39.4 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 366 | E | 36.2 | Very low | 38.6 | Very low | 183 Ų | 183 | 131.4 Ų | 131.4 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | 72.2 | 162.2 | 146.5 | -76.8 | -178.2 | 93.9 | 0 | 0 | 127.1 | ||||
| 367 | A | 40 | Very low | 39.1 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 80.9 | 117.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 368 | T | 35.2 | Very low | 39.4 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | cis | 109.8 | 108.8 | 14.5 | -58.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 369 | Q | 34.8 | Very low | 39.2 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 54 | 127 | 151.4 | -68 | 174 | -23.5 | 0 | 0 | 124 | ||||
| 370 | A | 36.7 | Very low | 39.6 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | 166.2 | 122.5 | 129.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 371 | S | 33.5 | Very low | 40.1 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | 87 | 90.4 | 49.9 | -63.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 372 | H | 37 | Very low | 40.5 | Very low | 169 Ų | 169 | 132 Ų | 132 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -178.3 | 112.6 | 144 | -126.8 | -95.5 | 0 | 0 | 0 | 109.5 | ||||
| 373 | E | 38.3 | Very low | 40.5 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | 58.8 | 106.3 | 79.5 | -85.6 | -162.8 | 100.2 | 0 | 0 | 117.2 | |||||
| 374 | F | 42.2 | Very low | 40.5 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | -162 | 151.6 | 108.5 | -147 | -109.5 | 0 | 0 | 0 | 112.6 | |||||
| 375 | G | 39.8 | Very low | 40.7 | Very low | 68 Ų | 68 | 136.5 Ų | 136.5 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -80.8 | -177.2 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 376 | G | 42.6 | Very low | 40.9 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | cis | 130.6 | 119.5 | 7.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 377 | K | 51.7 | Low | 41.1 | Very low | 209 Ų | 209 | 132.3 Ų | 132.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -174.5 | 133.4 | 153.5 | 49.2 | -164.5 | 72.3 | -178.5 | 0 | 111.1 | ||||
| 378 | T | 40.3 | Very low | 41.5 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -106.9 | 170.2 | -164.7 | 32.9 | 0 | 0 | 0 | 0 | 114.1 | A380 | T378-A380 PolarHBondContact O-N 2.91Š| ||
| 379 | L | 37.7 | Very low | 41.9 | Very low | 182 Ų | 182 | 135 Ų | 135 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -43.4 | 82.2 | 169.9 | -167 | 148.3 | 0 | 0 | 0 | 113.6 | ||
| 380 | A | 42.4 | Very low | 42.1 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -159.6 | 37.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T378 | T378-A380 PolarHBondContact O-N 2.91Š| ||
| 381 | S | 51.7 | Low | 42.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -131.1 | 76.9 | 167.8 | -165.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 382 | L | 45.6 | Very low | 42.8 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | 64.6 | 84.8 | 92.5 | -61.2 | 167.3 | 0 | 0 | 0 | 109.8 | |||||
| 383 | I | 40.5 | Very low | 43 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | 56.5 | 90.7 | 89.2 | -54.2 | 173.6 | 0 | 0 | 0 | 111.7 | |||||
| 384 | A | 42.5 | Very low | 43.2 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -167.6 | 111.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 385 | E | 45.4 | Very low | 43.4 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -74.2 | 170.5 | 152.8 | -115.6 | -169.2 | 85.5 | 0 | 0 | 109.5 | ||||
| 386 | P | 44.1 | Very low | 43.6 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | cis | -146.9 | -173.8 | 39.5 | 39.1 | -16.1 | 0 | 0 | 0 | 117.3 | ||||
| 387 | A | 40.6 | Very low | 43.7 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | -105.4 | -157.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 388 | P | 49 | Very low | 43 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | cis | -131.2 | -165.6 | -28.4 | 29 | -5.9 | 0 | 0 | 0 | 113.1 | ||||
| 389 | Q | 42.5 | Very low | 42.9 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 126.9 | 118.6 | 141 | -67.2 | -168.7 | 0.4 | 0 | 0 | 120.3 | ||||
| 390 | Q | 40.7 | Very low | 43.1 | Very low | 157 Ų | 157 | 126 Ų | 126 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | 59.4 | 146.7 | 136.7 | -50.8 | -175.7 | 15.6 | 0 | 0 | 119.4 | ||||
| 391 | M | 39.9 | Very low | 42.8 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 70% | 0.704 | 75% | 0.752 | S | S | * | * | cis | -161.6 | 153 | 47.4 | -79.7 | -89.2 | -95.2 | 0 | 0 | 112 | ||||
| 392 | L | 43.5 | Very low | 41.8 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | 41.6 | 150.2 | 138.6 | -54.5 | 177.5 | 0 | 0 | 0 | 121.1 | ||||
| 393 | T | 41.9 | Very low | 41.4 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | -168.4 | 154.7 | 25.7 | -16 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 394 | A | 41.6 | Very low | 41 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | 48.7 | 148.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 395 | T | 46.6 | Very low | 40.5 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | cis | -175.8 | 140.7 | -3.1 | -95.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 396 | T | 45.1 | Very low | 39.8 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 31.8 | 128.1 | 137.7 | -45.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 397 | T | 43.4 | Very low | 39.3 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | cis | -174.9 | 167.4 | 26.7 | -138.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 398 | L | 37.7 | Very low | 38.8 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 26.1 | 128.4 | 159.5 | -54.6 | 164.4 | 0 | 0 | 0 | 119.1 | ||||
| 399 | T | 38.8 | Very low | 38.1 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | -175.4 | 144.8 | 75.2 | -64.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 400 | V | 41.6 | Very low | 37.6 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -98.5 | 137.4 | 176 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 401 | P | 36.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -129 | 148.5 | 131.5 | 34.1 | -24.1 | 0 | 0 | 0 | 112 | ||||
| 402 | Q | 30.6 | Very low | 37.1 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | -75.5 | 133.6 | 179.4 | -66.4 | 177.8 | -34.2 | 0 | 0 | 111.1 | ||||
| 403 | S | 36.5 | Very low | 36.6 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -142.4 | 134.7 | 159.2 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | Y405 | S403-Y405 PolarHBondContact O-N 3.16Š| ||
| 404 | S | 32 | Very low | 36.3 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 125.8 | 177.1 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 405 | Y | 32.9 | Very low | 35.8 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -144.3 | 118.1 | 162.5 | -144.9 | -94.8 | 0 | 0 | 0 | 112.2 | S403 | S403-Y405 PolarHBondContact O-N 3.16Š| ||
| 406 | S | 29.1 | Very low | 35.4 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -81.5 | 123.3 | 166.2 | 176 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 407 | S | 33.5 | Very low | 35 | Very low | 86 Ų | 86 | 146.1 Ų | 146.1 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | trans | -176.3 | 116.7 | 151 | -87.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 408 | N | 31.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 35.2 | 104.9 | 130.1 | -58.6 | -26.9 | 0 | 0 | 0 | 118.4 | ||||
| 409 | R | 33.8 | Very low | 34.6 | Very low | 249 Ų | 249 | 144.9 Ų | 144.9 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | trans | -131.7 | 93.5 | 143.6 | -168.7 | 168.8 | -112 | -155 | -3.1 | 111.7 | R411 | R409-R411 PolarHBondContact O-N 3.18Š| ||
| 410 | T | 32.5 | Very low | 34.2 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -35.2 | 126.2 | 163.2 | -38.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 411 | R | 32.8 | Very low | 33.6 | Very low | 243 Ų | 243 | 150.6 Ų | 150.6 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -137.3 | 92.9 | 162.7 | -174.4 | 169.9 | 172.8 | 144.2 | -1.6 | 110.6 | R409 | R409-R411 PolarHBondContact O-N 3.18Š| ||
| 412 | A | 37.9 | Very low | 33.2 | Very low | 84 Ų | 84 | 154.9 Ų | 154.9 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | 36.5 | 103.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | F414 | A412-F414 PolarHBondContact O-N 2.96Š| ||
| 413 | N | 32.6 | Very low | 33.2 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -56.5 | 121.5 | 154.8 | -67.1 | -22.3 | 0 | 0 | 0 | 108.9 | ||||
| 414 | F | 35.5 | Very low | 32.9 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -108.7 | 95.7 | 157.8 | -165.4 | -101 | 0 | 0 | 0 | 106.8 | A412 V416 | A412-F414 PolarHBondContact O-N 2.96Å; F414-V416 HydrophobicContact CD1-CG2 3.62Å; F414-V416 HydrophobicContact CE1-CG2 3.79Å; F414-V416 PolarHBondContact O-N 3.38Å | ||
| 415 | E | 30.2 | Very low | 32.7 | Very low | 175 Ų | 175 | 154.1 Ų | 154.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -75.7 | 101.1 | -174.8 | -169.1 | 150.7 | 92.2 | 0 | 0 | 109.5 | ||||
| 416 | V | 38.8 | Very low | 32.6 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | -96.3 | 98.6 | 170.8 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | F414 | F414-V416 HydrophobicContact CD1-CG2 3.62Å; F414-V416 HydrophobicContact CE1-CG2 3.79Å; F414-V416 PolarHBondContact O-N 3.38Å | ||
| 417 | E | 37.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 58% | 0.575 | 77% | 0.77 | S | S | * | * | trans | -46.9 | 125 | 171.4 | -96 | -106.2 | 123.2 | 0 | 0 | 110.8 | T419 | E417-T419 VanDerWaalsContact C-N 3.33Å; E417-T419 PolarHBondContact O-N 3.16Å | ||
| 418 | P | 38.7 | Very low | 32.5 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 94.6 | 162.6 | 29.7 | -30.6 | 0 | 0 | 0 | 107.7 | K420 | P418-K420 PolarHBondContact O-N 2.95Å; P418-K420 VanDerWaalsContact O-N 3.08Å | ||
| 419 | T | 34.3 | Very low | 32.3 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -55 | 117.5 | -178.9 | 6.1 | 0 | 0 | 0 | 0 | 110.4 | E417 F421 | E417-T419 VanDerWaalsContact C-N 3.33Å; E417-T419 PolarHBondContact O-N 3.16Å; T419-F421 PolarHBondContact O-N 3.24Å | ||
| 420 | K | 30.2 | Very low | 32 | Very low | 170 Ų | 170 | 144 Ų | 144 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | -58.3 | 99.3 | -173.1 | -68.5 | 156.9 | -178.8 | 143.8 | 0 | 112 | P418 R422 | P418-K420 PolarHBondContact O-N 2.95Å; P418-K420 VanDerWaalsContact O-N 3.08Å; K420-R422 VanDerWaalsContact C-N 3.28Å; K420-R422 PolarHBondContact O-N 3.44Å | ||
| 421 | F | 28.2 | Very low | 31.9 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | trans | -70.1 | 92.9 | 150.3 | -104.4 | -84.6 | 0 | 0 | 0 | 108.1 | T419 L423 | T419-F421 PolarHBondContact O-N 3.24Å; F421-L423 PolarHBondContact O-N 3.45Å | ||
| 422 | R | 27.5 | Very low | 31.9 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | -63.5 | 113.6 | 163.9 | -71.9 | -164.1 | -169.8 | -162.2 | 8.2 | 108.3 | K420 | K420-R422 VanDerWaalsContact C-N 3.28Å; K420-R422 PolarHBondContact O-N 3.44Å | ||
| 423 | L | 31.4 | Very low | 31.5 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -104.4 | 130.5 | 135.6 | -101.9 | 81.5 | 0 | 0 | 0 | 107.5 | F421 T425 | F421-L423 PolarHBondContact O-N 3.45Å; L423-T425 PolarHBondContact O-N 2.95Å | ||
| 424 | N | 30.8 | Very low | 31.5 | Very low | 100 Ų | 100 | 139 Ų | 139 | 54% | 0.535 | 76% | 0.756 | S | S | . | * | trans | -75.4 | 121.4 | -168.4 | -62.5 | -41.3 | 0 | 0 | 0 | 110.7 | F426 | N424-F426 HydrophobicContact CB-CD2 3.5Å; N424-F426 HydrophobicContact CB-CE2 3.75Å; N424-F426 PolarHBondContact O-N 3.42Å | ||
| 425 | T | 27.9 | Very low | 31.6 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -68.9 | 80.3 | 157.5 | -49.5 | 0 | 0 | 0 | 0 | 108.9 | L423 A427 | L423-T425 PolarHBondContact O-N 2.95Å; T425-A427 PolarHBondContact O-N 2.86Å | ||
| 426 | F | 30.8 | Very low | 31.8 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -82.8 | 108.1 | 161.8 | -88.7 | -74.3 | 0 | 0 | 0 | 108.6 | N424 S428 | N424-F426 HydrophobicContact CB-CD2 3.5Å; N424-F426 HydrophobicContact CB-CE2 3.75Å; N424-F426 PolarHBondContact O-N 3.42Å; F426-S428 PolarHBondContact O-N 3.29Å; F426-S428 VanDerWaalsContact O-N 3.14Å | ||
| 427 | A | 30.4 | Very low | 32.1 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | -71.8 | 100.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | T425 | T425-A427 PolarHBondContact O-N 2.86Š| ||
| 428 | S | 28.9 | Very low | 32.6 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 176.3 | 118.7 | 149.7 | -81.5 | 0 | 0 | 0 | 0 | 110.9 | F426 | F426-S428 PolarHBondContact O-N 3.29Å; F426-S428 VanDerWaalsContact O-N 3.14Å |
| 429 | G | 27.6 | Very low | 32.9 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 82.6 | 156.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 430 | D | 27.4 | Very low | 33.6 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | trans | 58.7 | 47 | 159.4 | -71.3 | 18.3 | 0 | 0 | 0 | 119.8 | R432 | D430-R432 VanDerWaalsContact C-N 3.26Å; D430-R432 PolarHBondContact O-N 3.07Å; D430-R432 IonicContact OD2-NE 3.81Å; D430-R432 IonicContact OD2-NH2 3.99Å | ||
| 431 | G | 31.2 | Very low | 34.3 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -72.5 | 74 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F433 | G431-F433 VanDerWaalsContact C-N 3.33Å; G431-F433 PolarHBondContact O-N 2.89Å | ||
| 432 | R | 32 | Very low | 35.2 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | trans | -68.7 | 82.3 | 178.8 | -64.5 | -172.4 | -165.6 | -173.3 | 4.9 | 112.7 | D430 | D430-R432 VanDerWaalsContact C-N 3.26Å; D430-R432 PolarHBondContact O-N 3.07Å; D430-R432 IonicContact OD2-NE 3.81Å; D430-R432 IonicContact OD2-NH2 3.99Å | ||
| 433 | F | 30.3 | Very low | 36 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -113.6 | 90.1 | 155.6 | -84.3 | -91.3 | 0 | 0 | 0 | 108.6 | G431 I435 | G431-F433 VanDerWaalsContact C-N 3.33Å; G431-F433 PolarHBondContact O-N 2.89Å; F433-I435 WeakPolarHBondContact O-CG1 3.25Å | ||
| 434 | G | 32.2 | Very low | 36.3 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -101.1 | 127.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 435 | I | 38.5 | Very low | 36.8 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | cis | 47.3 | 58.1 | 26.3 | 44.3 | -179.2 | 0 | 0 | 0 | 115.3 | F433 C439 | F433-I435 WeakPolarHBondContact O-CG1 3.25Å; I435-C439 HydrophobicContact CG2-CB 4.34Å | ||
| 436 | E | 34.1 | Very low | 37.3 | Very low | 194 Ų | 194 | 124 Ų | 124 | 91% | 0.907 | 70% | 0.701 | S | S | * | * | trans | -149.2 | 136.6 | 146.4 | -109.9 | 171.2 | 166.5 | 0 | 0 | 107.5 | ||||
| 437 | A | 43.9 | Very low | 38.5 | Very low | 55 Ų | 55 | 121.2 Ų | 121.2 | 46% | 0.455 | 70% | 0.701 | S | S | . | * | S | Bend | cis | -88.6 | 146.8 | 6 | 0 | 0 | 0 | 0 | 0 | 114.8 | C439 R463 | A437-C439 PolarHBondContact O-N 3.44Å; A437-R463 VanDerWaalsContact O-CZ 3.26Å; A437-R463 PolarHBondContact O-NH1 3.22Å; A437-R463 PolarHBondContact O-NH2 3.47Å |
| 438 | D | 47.9 | Very low | 39.2 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 59.1 | -2.5 | 153.4 | -64.1 | -39.7 | 0 | 0 | 0 | 123.9 | R440 | D438-R440 PolarHBondContact O-N 2.95Š|
| 439 | C | 44.9 | Very low | 40.2 | Very low | 37 Ų | 37 | 123.2 Ų | 123.2 | 25% | 0.25 | 68% | 0.678 | C | S | . | * | trans | -76.8 | 71.3 | 168.5 | -160.4 | 0 | 0 | 0 | 0 | 110.8 | I435 A437 K441 C460 | I435-C439 HydrophobicContact CG2-CB 4.34Å; A437-C439 PolarHBondContact O-N 3.44Å; C439-K441 VanDerWaalsContact C-N 3.31Å; C439-K441 PolarHBondContact O-N 2.97Å; C439-C460 HydrophobicContact CB-CB 4.36Å; C439-C460 WeakPolarHBondContact CB-SG 3.48Å; C439-C460 WeakPolarHBondContact SG-CB 3.45Å; C439-C460 CovalentContact SG-SG 2.07Å; C439-C460 PolarHBondContact SG-SG 3.45Å | ||
| 440 | R | 50.2 | Low | 41.1 | Very low | 237 Ų | 237 | 125.7 Ų | 125.7 | 89% | 0.894 | 67% | 0.669 | S | S | * | * | trans | -77.7 | 3.3 | -170.6 | -109.1 | -174.1 | -170.1 | -139.9 | 2.8 | 116.1 | D438 | D438-R440 PolarHBondContact O-N 2.95Š| ||
| 441 | K | 44.2 | Very low | 42.4 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 60% | 0.596 | 68% | 0.677 | S | S | * | * | trans | -91.6 | 121 | -177.7 | -74.2 | -174.4 | 173.1 | -175.9 | 0 | 111.2 | C439 N453 A456 | C439-K441 VanDerWaalsContact C-N 3.31Å; C439-K441 PolarHBondContact O-N 2.97Å; K441-N453 PolarHBondContact NZ-OD1 3.43Å; K441-A456 HydrophobicContact CD-CB 4.39Å | ||
| 442 | R | 46.8 | Very low | 43.3 | Very low | 222 Ų | 222 | 133.5 Ų | 133.5 | 84% | 0.838 | 68% | 0.681 | S | S | * | * | trans | -71 | 128.2 | 174.5 | -178.8 | 176.1 | -69 | -142.5 | -2.1 | 109.9 | V444 | R442-V444 PolarHBondContact O-N 3.04Å; R442-V444 VanDerWaalsContact O-N 3.13Å | ||
| 443 | T | 44.7 | Very low | 43.9 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | trans | -64.4 | 107.5 | 171 | 49 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 444 | V | 37.7 | Very low | 44.8 | Very low | 88 Ų | 88 | 120.8 Ų | 120.8 | 53% | 0.533 | 64% | 0.64 | S | S | . | * | trans | -96 | 109.9 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | R442 S446 W449 | R442-V444 PolarHBondContact O-N 3.04Å; R442-V444 VanDerWaalsContact O-N 3.13Å; V444-S446 PolarHBondContact O-N 3.16Å; V444-W449 VanDerWaalsContact O-CE2 3.22Å; V444-W449 PolarHBondContact O-NE1 2.94Å | ||
| 445 | G | 42.2 | Very low | 45.8 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 91% | 0.907 | 64% | 0.635 | S | S | * | * | trans | -76.2 | 65.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 446 | S | 38.2 | Very low | 46.3 | Very low | 47 Ų | 47 | 117 Ų | 117 | 33% | 0.329 | 61% | 0.612 | S | S | . | * | trans | -97.5 | 149.8 | 162 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | V444 E448 W449 | V444-S446 PolarHBondContact O-N 3.16Å; S446-E448 VanDerWaalsContact C-N 3.31Å; S446-E448 PolarHBondContact OG-N 3.45Å; S446-W449 PolarHBondContact O-NE1 2.88Å; S446-W449 VanDerWaalsContact O-NE1 3.09Å | ||
| 447 | P | 55.5 | Low | 47.4 | Very low | 118 Ų | 118 | 111.3 Ų | 111.3 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -80.5 | -9.2 | 169.1 | 31.3 | -34.2 | 0 | 0 | 0 | 113.6 | ||
| 448 | E | 45.7 | Very low | 48.3 | Very low | 174 Ų | 174 | 112 Ų | 112 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -97 | -18.8 | -169.5 | -151.4 | 170.2 | -174.2 | 0 | 0 | 114 | S446 | S446-E448 VanDerWaalsContact C-N 3.31Å; S446-E448 PolarHBondContact OG-N 3.45Å |
| 449 | W | 49.1 | Very low | 49.4 | Very low | 79 Ų | 79 | 110.7 Ų | 110.7 | 30% | 0.299 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -83.2 | -8.6 | 179.8 | 80 | -44.6 | 0 | 0 | 0 | 115.1 | V444 S446 Q451 E452 N453 V457 | V444-W449 VanDerWaalsContact O-CE2 3.22Å; V444-W449 PolarHBondContact O-NE1 2.94Å; S446-W449 PolarHBondContact O-NE1 2.88Å; S446-W449 VanDerWaalsContact O-NE1 3.09Å; W449-Q451 PolarHBondContact O-N 3.32Å; W449-Q451 VanDerWaalsContact O-N 3.13Å; W449-E452 PolarHBondContact O-N 3.25Å; W449-N453 HydrophobicContact CE3-CB 3.91Å; W449-N453 HydrophobicContact CZ3-CB 4.04Å; W449-N453 VanDerWaalsContact CZ3-ND2 3.25Å; W449-N453 WeakPolarHBondContact CZ3-ND2 3.29Å; W449-N453 PolarHBondContact O-N 2.78Å; W449-V457 HydrophobicContact CH2-CG2 4.31Å |
| 450 | E | 47.1 | Very low | 50.7 | Low | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.8 | -22.8 | -170.3 | -65.6 | -169 | 152.3 | 0 | 0 | 113.1 | S454 | E450-S454 WeakPolarHBondContact O-CB 3.46Å; E450-S454 PolarHBondContact O-OG 3.45Å |
| 451 | Q | 54.5 | Low | 51.9 | Low | 185 Ų | 185 | 101 Ų | 101 | 86% | 0.864 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -82.1 | -29.3 | -178.5 | -62.2 | -178.4 | 20.1 | 0 | 0 | 113.8 | W449 | W449-Q451 PolarHBondContact O-N 3.32Å; W449-Q451 VanDerWaalsContact O-N 3.13Å |
| 452 | E | 49.5 | Very low | 53.4 | Low | 184 Ų | 184 | 97.3 Ų | 97.3 | 86% | 0.86 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -97 | -20.8 | -177.1 | -76.6 | -166.6 | 137.4 | 0 | 0 | 114.5 | W449 | W449-E452 PolarHBondContact O-N 3.25Å |
| 453 | N | 45.4 | Very low | 54.7 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 21% | 0.209 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -121.9 | 13.7 | -176.9 | -165.8 | 86.4 | 0 | 0 | 0 | 113.7 | K441 W449 T455 A456 V457 | K441-N453 PolarHBondContact NZ-OD1 3.43Å; W449-N453 HydrophobicContact CE3-CB 3.91Å; W449-N453 HydrophobicContact CZ3-CB 4.04Å; W449-N453 VanDerWaalsContact CZ3-ND2 3.25Å; W449-N453 WeakPolarHBondContact CZ3-ND2 3.29Å; W449-N453 PolarHBondContact O-N 2.78Å; N453-T455 VanDerWaalsContact C-N 3.33Å; N453-T455 PolarHBondContact O-N 3.13Å; N453-A456 PolarHBondContact O-N 2.8Å; N453-A456 VanDerWaalsContact O-N 3.15Å; N453-A456 WeakPolarHBondContact OD1-CB 3.32Å; N453-V457 PolarHBondContact O-N 3.06Å |
| 454 | S | 48 | Very low | 56.2 | Low | 63 Ų | 63 | 91.2 Ų | 91.2 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -50.7 | -49.1 | 173.6 | -92.8 | 0 | 0 | 0 | 0 | 112.7 | E450 A456 V457 D458 | E450-S454 WeakPolarHBondContact O-CB 3.46Å; E450-S454 PolarHBondContact O-OG 3.45Å; S454-A456 PolarHBondContact O-N 3.39Å; S454-A456 VanDerWaalsContact O-N 3.15Å; S454-V457 PolarHBondContact O-N 3.49Å; S454-D458 PolarHBondContact O-N 2.78Å |
| 455 | T | 53.1 | Low | 58 | Low | 100 Ų | 100 | 87.5 Ų | 87.5 | 61% | 0.613 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.6 | -31.6 | -179.7 | 44.1 | 0 | 0 | 0 | 0 | 113.8 | N453 D458 D459 | N453-T455 VanDerWaalsContact C-N 3.33Å; N453-T455 PolarHBondContact O-N 3.13Å; T455-D458 WeakPolarHBondContact O-CB 3.37Å; T455-D459 PolarHBondContact O-N 2.95Å |
| 456 | A | 49 | Very low | 59.6 | Low | 21 Ų | 21 | 91 Ų | 91 | 17% | 0.174 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -85.1 | -14.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K441 N453 S454 | K441-A456 HydrophobicContact CD-CB 4.39Å; N453-A456 PolarHBondContact O-N 2.8Å; N453-A456 VanDerWaalsContact O-N 3.15Å; N453-A456 WeakPolarHBondContact OD1-CB 3.32Å; S454-A456 PolarHBondContact O-N 3.39Å; S454-A456 VanDerWaalsContact O-N 3.15Å |
| 457 | V | 57.6 | Low | 61.3 | Low | 74 Ų | 74 | 92.7 Ų | 92.7 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -81.6 | -41.5 | 165.8 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | W449 N453 S454 D459 C460 V461 | W449-V457 HydrophobicContact CH2-CG2 4.31Å; N453-V457 PolarHBondContact O-N 3.06Å; S454-V457 PolarHBondContact O-N 3.49Å; V457-D459 VanDerWaalsContact C-N 3.31Å; V457-D459 PolarHBondContact O-N 3.03Å; V457-C460 PolarHBondContact O-N 3.12Å; V457-V461 WeakPolarHBondContact O-CG2 3.29Å; V457-V461 PolarHBondContact O-N 3.38Å; V457-V461 VanDerWaalsContact O-N 3.17Å |
| 458 | D | 62.6 | Low | 62.1 | Low | 69 Ų | 69 | 89.4 Ų | 89.4 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -52.7 | -46.4 | 171.1 | -78.1 | -51.1 | 0 | 0 | 0 | 111.6 | S454 T455 C460 V461 I462 | S454-D458 PolarHBondContact O-N 2.78Å; T455-D458 WeakPolarHBondContact O-CB 3.37Å; D458-C460 PolarHBondContact O-N 3.37Å; D458-V461 PolarHBondContact O-N 3.28Å; D458-V461 VanDerWaalsContact O-N 3.14Å; D458-I462 HydrophobicContact CB-CD1 4.22Å; D458-I462 WeakPolarHBondContact O-CB 3.49Å; D458-I462 WeakPolarHBondContact O-CD1 3.16Å; D458-I462 WeakPolarHBondContact O-CG1 3.44Å; D458-I462 PolarHBondContact O-N 3.17Å |
| 459 | D | 71.3 | Confident | 63.5 | Low | 107 Ų | 107 | 85.7 Ų | 85.7 | 57% | 0.572 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -56.1 | -45.8 | 179.9 | -81.6 | -24.4 | 0 | 0 | 0 | 113.7 | T455 V457 R463 | T455-D459 PolarHBondContact O-N 2.95Å; V457-D459 VanDerWaalsContact C-N 3.31Å; V457-D459 PolarHBondContact O-N 3.03Å; D459-R463 WeakPolarHBondContact O-CB 3.18Å; D459-R463 PolarHBondContact O-N 3.48Å |
| 460 | C | 72.2 | Confident | 64.6 | Low | 44 Ų | 44 | 85.3 Ų | 85.3 | 30% | 0.297 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.3 | -25.9 | 179 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | C439 V457 D458 Y464 | C439-C460 HydrophobicContact CB-CB 4.36Å; C439-C460 WeakPolarHBondContact CB-SG 3.48Å; C439-C460 WeakPolarHBondContact SG-CB 3.45Å; C439-C460 CovalentContact SG-SG 2.07Å; C439-C460 PolarHBondContact SG-SG 3.45Å; V457-C460 PolarHBondContact O-N 3.12Å; D458-C460 PolarHBondContact O-N 3.37Å; C460-Y464 WeakPolarHBondContact O-CB 3.48Å; C460-Y464 PolarHBondContact O-N 3.04Å; C460-Y464 VanDerWaalsContact O-N 3.1Å |
| 461 | V | 75 | Confident | 65.9 | Low | 27 Ų | 27 | 82.6 Ų | 82.6 | 16% | 0.164 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.4 | -47.6 | 170.4 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | Y67 V457 D458 R463 Y464 C465 | Y67-V461 HydrophobicContact CE2-CG2 4.38Å; V457-V461 WeakPolarHBondContact O-CG2 3.29Å; V457-V461 PolarHBondContact O-N 3.38Å; V457-V461 VanDerWaalsContact O-N 3.17Å; D458-V461 PolarHBondContact O-N 3.28Å; D458-V461 VanDerWaalsContact O-N 3.14Å; V461-R463 VanDerWaalsContact C-N 3.27Å; V461-R463 PolarHBondContact O-N 3.07Å; V461-Y464 PolarHBondContact O-N 3.46Å; V461-C465 WeakPolarHBondContact O-CB 3.41Å; V461-C465 PolarHBondContact O-N 3.5Å; V461-C465 PolarHBondContact O-SG 3.43Å |
| 462 | I | 75.8 | Confident | 66.9 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 30% | 0.297 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57 | -43.5 | 176.3 | -68.5 | 161.9 | 0 | 0 | 0 | 110 | K60 D458 C465 R466 | K60-I462 VanDerWaalsContact CE-CD1 3.44Å; D458-I462 HydrophobicContact CB-CD1 4.22Å; D458-I462 WeakPolarHBondContact O-CB 3.49Å; D458-I462 WeakPolarHBondContact O-CD1 3.16Å; D458-I462 WeakPolarHBondContact O-CG1 3.44Å; D458-I462 PolarHBondContact O-N 3.17Å; I462-C465 WeakPolarHBondContact O-CB 3.4Å; I462-C465 PolarHBondContact O-N 2.94Å; I462-R466 PolarHBondContact O-N 3.37Å |
| 463 | R | 75.1 | Confident | 68 | Low | 97 Ų | 97 | 75.6 Ų | 75.6 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 177.4 | -161.8 | -173.1 | 69.3 | 162.8 | 0.7 | 112.3 | A437 D459 V461 C465 R466 D467 | A437-R463 VanDerWaalsContact O-CZ 3.26Å; A437-R463 PolarHBondContact O-NH1 3.22Å; A437-R463 PolarHBondContact O-NH2 3.47Å; D459-R463 WeakPolarHBondContact O-CB 3.18Å; D459-R463 PolarHBondContact O-N 3.48Å; V461-R463 VanDerWaalsContact C-N 3.27Å; V461-R463 PolarHBondContact O-N 3.07Å; R463-C465 PolarHBondContact O-N 2.83Å; R463-R466 WeakPolarHBondContact O-CB 3.05Å; R463-R466 PolarHBondContact O-N 3.03Å; R463-R466 VanDerWaalsContact O-N 3.07Å; R463-D467 IonicContact NE-OD2 3.97Å; R463-D467 PolarHBondContact O-N 2.98Å |
| 464 | Y | 75.8 | Confident | 69.3 | Low | 125 Ų | 125 | 79.7 Ų | 79.7 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.4 | -40.1 | 174.1 | 175.6 | -99.9 | 0 | 0 | 0 | 112.3 | C460 V461 D467 A468 | C460-Y464 WeakPolarHBondContact O-CB 3.48Å; C460-Y464 PolarHBondContact O-N 3.04Å; C460-Y464 VanDerWaalsContact O-N 3.1Å; V461-Y464 PolarHBondContact O-N 3.46Å; Y464-D467 PolarHBondContact O-N 3.12Å; Y464-A468 VanDerWaalsContact O-CB 3.29Å; Y464-A468 WeakPolarHBondContact O-CB 3.19Å; Y464-A468 PolarHBondContact O-N 2.83Å |
| 465 | C | 75.5 | Confident | 70.1 | Confident | 11 Ų | 11 | 81.1 Ų | 81.1 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 176 | -67.8 | 0 | 0 | 0 | 0 | 113.6 | L59 C63 V461 I462 R463 F469 | L59-C465 HydrophobicContact CD2-CB 4.32Å; C63-C465 HydrophobicContact CB-CB 4.25Å; C63-C465 WeakPolarHBondContact CB-SG 3.23Å; C63-C465 WeakPolarHBondContact SG-CB 3.09Å; C63-C465 CovalentContact SG-SG 2.01Å; C63-C465 PolarHBondContact SG-SG 3.08Å; V461-C465 WeakPolarHBondContact O-CB 3.41Å; V461-C465 PolarHBondContact O-N 3.5Å; V461-C465 PolarHBondContact O-SG 3.43Å; I462-C465 WeakPolarHBondContact O-CB 3.4Å; I462-C465 PolarHBondContact O-N 2.94Å; R463-C465 PolarHBondContact O-N 2.83Å; C465-F469 VanDerWaalsContact O-CB 3.31Å; C465-F469 WeakPolarHBondContact O-CB 3.49Å; C465-F469 PolarHBondContact O-N 3.05Å |
| 466 | R | 74.9 | Confident | 69.8 | Low | 162 Ų | 162 | 79.2 Ų | 79.2 | 61% | 0.611 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.7 | -49.8 | 173.1 | -174.5 | -178.9 | -177.4 | 165.2 | 5.3 | 110.9 | I462 R463 A468 F469 D470 | I462-R466 PolarHBondContact O-N 3.37Å; R463-R466 WeakPolarHBondContact O-CB 3.05Å; R463-R466 PolarHBondContact O-N 3.03Å; R463-R466 VanDerWaalsContact O-N 3.07Å; R466-A468 VanDerWaalsContact C-N 3.3Å; R466-A468 PolarHBondContact O-N 2.86Å; R466-F469 PolarHBondContact O-N 2.88Å; R466-D470 IonicContact NE-OD2 3.81Å; R466-D470 PolarHBondContact O-N 2.8Å |
| 467 | D | 75.2 | Confident | 69.6 | Low | 82 Ų | 82 | 86.4 Ų | 86.4 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 179.9 | -59.3 | -20.7 | 0 | 0 | 0 | 110.8 | R463 Y464 D470 D471 | R463-D467 IonicContact NE-OD2 3.97Å; R463-D467 PolarHBondContact O-N 2.98Å; Y464-D467 PolarHBondContact O-N 3.12Å; D467-D470 PolarHBondContact O-N 3.4Å; D467-D471 WeakPolarHBondContact O-CB 3.4Å; D467-D471 PolarHBondContact O-N 3.44Å |
| 468 | A | 71.5 | Confident | 68.9 | Low | 48 Ų | 48 | 88.8 Ų | 88.8 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69 | -31.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y464 R466 W472 | Y464-A468 VanDerWaalsContact O-CB 3.29Å; Y464-A468 WeakPolarHBondContact O-CB 3.19Å; Y464-A468 PolarHBondContact O-N 2.83Å; R466-A468 VanDerWaalsContact C-N 3.3Å; R466-A468 PolarHBondContact O-N 2.86Å; A468-W472 WeakPolarHBondContact O-CB 3.3Å; A468-W472 PolarHBondContact O-N 3.47Å; A468-W472 VanDerWaalsContact O-N 3.16Å |
| 469 | F | 75.8 | Confident | 68 | Low | 97 Ų | 97 | 92.1 Ų | 92.1 | 43% | 0.425 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.5 | -41.1 | 173.5 | -178.4 | -94.9 | 0 | 0 | 0 | 111.5 | L59 C465 R466 W472 V473 | L59-F469 HydrophobicContact CD1-CD2 4.38Å; C465-F469 VanDerWaalsContact O-CB 3.31Å; C465-F469 WeakPolarHBondContact O-CB 3.49Å; C465-F469 PolarHBondContact O-N 3.05Å; R466-F469 PolarHBondContact O-N 2.88Å; F469-W472 HydrophobicContact CD2-CE3 4.41Å; F469-W472 HydrophobicContact CE2-CE3 4.18Å; F469-W472 HydrophobicContact CE2-CZ3 4.24Å; F469-W472 WeakPolarHBondContact O-CB 3.31Å; F469-W472 PolarHBondContact O-N 3.46Å; F469-V473 HydrophobicContact CD1-CG2 4.06Å; F469-V473 HydrophobicContact CE1-CG2 3.64Å; F469-V473 HydrophobicContact CZ-CG2 3.9Å; F469-V473 WeakPolarHBondContact O-CG2 3.5Å; F469-V473 PolarHBondContact O-N 3.37Å |
| 470 | D | 72.6 | Confident | 66.3 | Low | 71 Ų | 71 | 97.3 Ų | 97.3 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 177.8 | -73 | -31.6 | 0 | 0 | 0 | 111 | R466 D467 W472 V473 E474 | R466-D470 IonicContact NE-OD2 3.81Å; R466-D470 PolarHBondContact O-N 2.8Å; D467-D470 PolarHBondContact O-N 3.4Å; D470-W472 VanDerWaalsContact C-N 3.3Å; D470-W472 PolarHBondContact O-N 3.33Å; D470-V473 PolarHBondContact O-N 3.16Å; D470-E474 WeakPolarHBondContact O-CG 3.45Å; D470-E474 PolarHBondContact O-N 3.3Å |
| 471 | D | 73.9 | Confident | 64.7 | Low | 70 Ų | 70 | 100.8 Ų | 100.8 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | 171.9 | -170.3 | 56.9 | 0 | 0 | 0 | 111.7 | R349 D467 C475 | R349-D471 IonicContact NH1-OD2 3.94Å; D467-D471 WeakPolarHBondContact O-CB 3.4Å; D467-D471 PolarHBondContact O-N 3.44Å; D471-C475 WeakPolarHBondContact O-CB 3.43Å; D471-C475 PolarHBondContact O-N 3.48Å; D471-C475 PolarHBondContact O-SG 3.07Å |
| 472 | W | 74.7 | Confident | 63.1 | Low | 176 Ų | 176 | 106.7 Ų | 106.7 | 67% | 0.667 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -41.4 | 173.2 | -179 | 80.3 | 0 | 0 | 0 | 112.6 | A468 F469 D470 C475 G476 | A468-W472 WeakPolarHBondContact O-CB 3.3Å; A468-W472 PolarHBondContact O-N 3.47Å; A468-W472 VanDerWaalsContact O-N 3.16Å; F469-W472 HydrophobicContact CD2-CE3 4.41Å; F469-W472 HydrophobicContact CE2-CE3 4.18Å; F469-W472 HydrophobicContact CE2-CZ3 4.24Å; F469-W472 WeakPolarHBondContact O-CB 3.31Å; F469-W472 PolarHBondContact O-N 3.46Å; D470-W472 VanDerWaalsContact C-N 3.3Å; D470-W472 PolarHBondContact O-N 3.33Å; W472-C475 PolarHBondContact O-N 3.4Å; W472-G476 PolarHBondContact O-N 3.19Å |
| 473 | V | 72.3 | Confident | 61.2 | Low | 47 Ų | 47 | 110.3 Ų | 110.3 | 29% | 0.285 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 175.1 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | F469 D470 G476 R477 | F469-V473 HydrophobicContact CD1-CG2 4.06Å; F469-V473 HydrophobicContact CE1-CG2 3.64Å; F469-V473 HydrophobicContact CZ-CG2 3.9Å; F469-V473 WeakPolarHBondContact O-CG2 3.5Å; F469-V473 PolarHBondContact O-N 3.37Å; D470-V473 PolarHBondContact O-N 3.16Å; V473-G476 PolarHBondContact O-N 3.38Å; V473-R477 PolarHBondContact O-N 2.88Å |
| 474 | E | 73.1 | Confident | 59.5 | Low | 124 Ų | 124 | 115.6 Ų | 115.6 | 58% | 0.579 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.5 | -41.9 | 175.2 | -72.5 | -165.3 | 161.2 | 0 | 0 | 112.4 | D470 G476 R477 | D470-E474 WeakPolarHBondContact O-CG 3.45Å; D470-E474 PolarHBondContact O-N 3.3Å; E474-G476 VanDerWaalsContact C-N 3.27Å; E474-G476 PolarHBondContact O-N 3.14Å; E474-R477 PolarHBondContact O-N 3.02Å |
| 475 | C | 65.6 | Low | 57.4 | Low | 93 Ų | 93 | 113.2 Ų | 113.2 | 63% | 0.628 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66 | -29.4 | 172 | -70.2 | 0 | 0 | 0 | 0 | 112.9 | D471 W472 | D471-C475 WeakPolarHBondContact O-CB 3.43Å; D471-C475 PolarHBondContact O-N 3.48Å; D471-C475 PolarHBondContact O-SG 3.07Å; W472-C475 PolarHBondContact O-N 3.4Å |
| 476 | G | 47.5 | Very low | 56 | Low | 60 Ų | 60 | 118.6 Ų | 118.6 | 62% | 0.619 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.5 | -16.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W472 V473 E474 | W472-G476 PolarHBondContact O-N 3.19Å; V473-G476 PolarHBondContact O-N 3.38Å; E474-G476 VanDerWaalsContact C-N 3.27Å; E474-G476 PolarHBondContact O-N 3.14Å |
| 477 | R | 44.3 | Very low | 54.4 | Low | 173 Ų | 173 | 121.1 Ų | 121.1 | 65% | 0.653 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -76.7 | 131.5 | 170.5 | -69.4 | -172.1 | -163.8 | -121 | 5.8 | 109.5 | V473 E474 Q479 | V473-R477 PolarHBondContact O-N 2.88Å; E474-R477 PolarHBondContact O-N 3.02Å; R477-Q479 PolarHBondContact O-N 2.93Å |
| 478 | P | 41.8 | Very low | 53.4 | Low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 66% | 0.655 | S | S | * | * | trans | -62.9 | 104.6 | 165.8 | 26.8 | -32.3 | 0 | 0 | 0 | 108.3 | R480 | P478-R480 PolarHBondContact O-N 3.08Š| ||
| 479 | Q | 43.4 | Very low | 52.4 | Low | 140 Ų | 140 | 127 Ų | 127 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | trans | -51.6 | 114.1 | 171 | -72.5 | -71.1 | -16.2 | 0 | 0 | 107.6 | R477 | R477-Q479 PolarHBondContact O-N 2.93Š| ||
| 480 | R | 36.9 | Very low | 51.1 | Low | 216 Ų | 216 | 128.7 Ų | 128.7 | 82% | 0.815 | 68% | 0.682 | S | S | * | * | trans | -56.1 | 130.4 | 167.6 | -69.6 | -171.8 | -173.6 | -118.4 | 6.4 | 105.6 | P478 H482 | P478-R480 PolarHBondContact O-N 3.08Å; R480-H482 PolarHBondContact O-N 3.46Å | ||
| 481 | P | 37.7 | Very low | 49.9 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | trans | -60.6 | 105.1 | -177 | 23.1 | -32.5 | 0 | 0 | 0 | 108.7 | T483 | P481-T483 PolarHBondContact O-N 2.98Å; P481-T483 PolarHBondContact O-OG1 3.25Å | ||
| 482 | H | 40.9 | Very low | 48.4 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -65.1 | 103.5 | 171.2 | -92.4 | -85.2 | 0 | 0 | 0 | 106.8 | R480 Y484 | R480-H482 PolarHBondContact O-N 3.46Å; H482-Y484 PolarHBondContact O-N 2.87Å | ||
| 483 | T | 36.2 | Very low | 46.6 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -71.6 | 72.1 | 178.2 | -43.5 | 0 | 0 | 0 | 0 | 109.8 | P481 A485 | P481-T483 PolarHBondContact O-N 2.98Å; P481-T483 PolarHBondContact O-OG1 3.25Å; T483-A485 PolarHBondContact O-N 3.17Å; T483-A485 VanDerWaalsContact O-N 3.13Å | ||
| 484 | Y | 40 | Very low | 44.8 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -74.8 | 94.6 | 163.8 | -102.5 | -86.7 | 0 | 0 | 0 | 108 | H482 | H482-Y484 PolarHBondContact O-N 2.87Š| ||
| 485 | A | 32.5 | Very low | 42.6 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | trans | -68.2 | 124.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108 | T483 | T483-A485 PolarHBondContact O-N 3.17Å; T483-A485 VanDerWaalsContact O-N 3.13Å | ||
| 486 | P | 44.7 | Very low | 40.7 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -68.9 | 143.9 | 170.3 | 29.5 | -33 | 0 | 0 | 0 | 110 | ||||
| 487 | V | 42.6 | Very low | 40.1 | Very low | 215 Ų | 215 | 152.3 Ų | 152.3 | 100% | 1.303 | 80% | 0.795 | S | S | * | * | trans | -74.2 | 0 | 169.4 | 179.8 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 487 of 487 residues in 113.4 ms
(Link to these results)