| 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 | 25.5 | Very low | 28.7 | Very low | 233 Ų | 233 | 134.9 Ų | 134.9 | 100% | 1.148 | 83% | 0.829 | S | S | * | * | 0 | 146.9 | 0 | -72.2 | -179.7 | 176.1 | 0 | 0 | 107.9 | |||||
| 2 | L | 27.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | cis | -171.1 | 146.4 | -27.6 | -124.5 | 170.4 | 0 | 0 | 0 | 106.6 | ||||
| 3 | C | 31.7 | Very low | 28.3 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | 63.9 | 155.2 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 4 | G | 31 | Very low | 28.5 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 175 | 165 | -10.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 5 | I | 32.9 | Very low | 28.5 | Very low | 170 Ų | 170 | 135 Ų | 135 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | 64.9 | 102.5 | 171.8 | -47.3 | 179 | 0 | 0 | 0 | 114.4 | ||||
| 6 | S | 32.3 | Very low | 28.4 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -96.7 | 150.8 | -177.6 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 7 | N | 28.4 | Very low | 28.5 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -98.1 | 179.8 | -162.4 | -80.4 | -30.6 | 0 | 0 | 0 | 116.2 | ||||
| 8 | S | 28.9 | Very low | 28.5 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -49.7 | 168.1 | 161.7 | 56.2 | 0 | 0 | 0 | 0 | 115.7 | S10 | S8-S10 PolarHBondContact O-N 2.64Š|
| 9 | V | 25.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -22.7 | 125.6 | 155.3 | -177.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | S | 28.1 | Very low | 28.4 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -163.7 | 157.2 | 145.9 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | S8 | S8-S10 PolarHBondContact O-N 2.64Š| ||
| 11 | S | 24.2 | Very low | 28.3 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -128.8 | 133.2 | 175.9 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | H | 28.5 | Very low | 28.5 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | -166.2 | 168.7 | 147.1 | -111.9 | -71 | 0 | 0 | 0 | 111.9 | ||||
| 13 | E | 23.9 | Very low | 28.6 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 58% | 0.584 | 76% | 0.755 | S | S | * | * | trans | -71.8 | 168.7 | -177.1 | -46.9 | 113 | 135 | 0 | 0 | 112.9 | ||||
| 14 | I | 30.3 | Very low | 28.6 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | -166.8 | 147 | 104.8 | -94.8 | 159 | 0 | 0 | 0 | 111 | |||||
| 15 | A | 28.3 | Very low | 28.6 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | trans | -65.3 | 168.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 16 | N | 27.8 | Very low | 28.6 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 123.7 | 129.8 | 124.1 | -83.1 | -21.7 | 0 | 0 | 0 | 121.1 | |||||
| 17 | T | 29.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | 87 | 132.7 | 137.5 | 45.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 18 | S | 29 | Very low | 28.8 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | 71.4 | 93.3 | 143.2 | 53.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 19 | T | 25.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | 33.9 | 124.8 | 113.6 | 59.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 20 | L | 29 | Very low | 28.9 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | -169 | 130 | 100.8 | -100.1 | 151.1 | 0 | 0 | 0 | 114 | |||||
| 21 | T | 26 | Very low | 29.3 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | trans | -16.4 | 145.2 | 158.3 | 59.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 22 | M | 28.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 66% | 0.655 | 71% | 0.707 | S | S | * | * | 164 | 127.3 | 109.4 | -86.4 | -94.3 | 97.5 | 0 | 0 | 112.6 | |||||
| 23 | K | 30.2 | Very low | 29.2 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | 62.4 | 147.3 | 142.9 | -65.4 | 171.7 | 178.3 | 154.1 | 0 | 118.3 | ||||
| 24 | N | 32.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | cis | -158 | 149.8 | -4 | -122.7 | -2.9 | 0 | 0 | 0 | 112.6 | ||||
| 25 | H | 31.9 | Very low | 29.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | trans | 52.7 | 116.6 | 140.5 | -71.1 | -16.2 | 0 | 0 | 0 | 121.7 | ||||
| 26 | K | 32.6 | Very low | 29.6 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | 104.4 | 145.5 | 94.6 | -80.5 | 175.4 | 176.4 | 175.6 | 0 | 110.7 | |||||
| 27 | H | 33 | Very low | 29.5 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 63% | 0.625 | 71% | 0.714 | S | S | * | * | cis | -154.2 | 158.1 | 0.1 | -111.8 | -46.3 | 0 | 0 | 0 | 110.8 | ||||
| 28 | N | 30.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | 17.7 | 143.9 | 131.3 | -56.7 | 10.8 | 0 | 0 | 0 | 118.9 | ||||
| 29 | R | 29.6 | Very low | 29.3 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 79% | 0.789 | 71% | 0.713 | S | S | * | * | cis | -162.2 | 155 | 8.1 | -101.5 | 161.7 | 178.7 | 179.3 | -2.7 | 106.1 | ||||
| 30 | I | 27.4 | Very low | 29.5 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 80% | 0.795 | 71% | 0.714 | S | S | * | * | 67 | 124.2 | 57.1 | -55.2 | 168 | 0 | 0 | 0 | 111.2 | |||||
| 31 | P | 36.2 | Very low | 29.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | -136.7 | -144.5 | -82.5 | 41.8 | -20.7 | 0 | 0 | 0 | 112.7 | |||||
| 32 | S | 24.3 | Very low | 29.7 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | 95.4 | 162.3 | 156.2 | 76.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 33 | E | 27 | Very low | 29.7 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | 71.4 | 90 | 173.7 | -56.3 | -165 | 158.4 | 0 | 0 | 120.4 | ||||
| 34 | F | 25 | Very low | 29.5 | Very low | 209 Ų | 209 | 144.1 Ų | 144.1 | 92% | 0.917 | 71% | 0.712 | S | S | * | * | 44.3 | 163.7 | 121 | -79.6 | -53 | 0 | 0 | 0 | 122.6 | |||||
| 35 | P | 36.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 145 Ų | 145 | 62% | 0.623 | 72% | 0.716 | S | S | * | * | trans | -123.2 | 165.5 | -137.1 | 41.7 | -27.3 | 0 | 0 | 0 | 115.4 | ||||
| 36 | N | 28.2 | Very low | 29.3 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | -176.6 | 142.7 | 119.4 | -98.5 | -47 | 0 | 0 | 0 | 114.6 | |||||
| 37 | N | 26 | Very low | 29.1 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 50.3 | 115.8 | 142.6 | -68.2 | -20.7 | 0 | 0 | 0 | 123 | ||||
| 38 | H | 26.7 | Very low | 29 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | 111.7 | 137.5 | 116.4 | -105.3 | -98.1 | 0 | 0 | 0 | 121.8 | |||||
| 39 | F | 28.6 | Very low | 29 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | trans | 83.7 | 119.5 | 156.6 | -74.7 | -61.2 | 0 | 0 | 0 | 123.5 | ||||
| 40 | N | 30.6 | Very low | 29 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | 93 | 107.5 | 139.7 | -66.7 | -22.5 | 0 | 0 | 0 | 122.9 | ||||
| 41 | K | 28.4 | Very low | 29.3 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -42.6 | 158.6 | 140.7 | -72.5 | 179.2 | 164.8 | -174.7 | 0 | 112.6 | ||||
| 42 | I | 30 | Very low | 28.9 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 65% | 0.646 | 74% | 0.737 | S | S | * | * | cis | -165.1 | 146.5 | -3.9 | -106.2 | 163.1 | 0 | 0 | 0 | 106.8 | ||||
| 43 | Q | 28.8 | Very low | 28.9 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | 179.9 | 107.5 | 132.4 | -101.8 | -173.9 | -8.6 | 0 | 0 | 115 | ||||
| 44 | M | 27 | Very low | 29.6 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 52% | 0.522 | 73% | 0.731 | S | S | . | * | 56.3 | 155 | 116.2 | -88.9 | -128.2 | 79.6 | 0 | 0 | 125.5 | F113 | M44-F113 HydrophobicContact CE-CZ 4.08Å; M44-F113 HydrophobicContact CG-CE2 3.61Å; M44-F113 HydrophobicContact CG-CZ 3.62Å; M44-F113 HydrophobicContact SD-CE2 3.49Å; M44-F113 WeakPolarHBondContact SD-CE2 3.43Å; M44-F113 HydrophobicContact SD-CZ 3.51Å; M44-F113 VanDerWaalsContact SD-CZ 3.51Å | |||
| 45 | L | 29.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | 83.7 | 137.5 | 166.5 | -53.9 | 173 | 0 | 0 | 0 | 116.2 | ||||
| 46 | K | 29 | Very low | 29.1 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | cis | -158.9 | 146.6 | -7.3 | -133.6 | 178.2 | -178 | 178.1 | 0 | 113.1 | ||||
| 47 | M | 29.8 | Very low | 29.1 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | trans | 37.4 | 148.1 | 137.1 | -78.6 | 171.1 | 154.3 | 0 | 0 | 122.5 | ||||
| 48 | E | 30.2 | Very low | 29.1 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | cis | -169.1 | -172.1 | -19.6 | -127.1 | -158.9 | 75.6 | 0 | 0 | 106.7 | ||||
| 49 | T | 31.5 | Very low | 28.9 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | cis | -125.7 | -165 | 11.7 | 70.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 50 | G | 28.8 | Very low | 29 | Very low | 61 Ų | 61 | 143.1 Ų | 143.1 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | cis | 165.5 | 179.6 | 6.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 51 | K | 32.6 | Very low | 29 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | cis | -115.3 | -112.9 | -6.7 | -65.5 | -177.6 | 179.8 | 179.2 | 0 | 109.7 | ||||
| 52 | R | 28 | Very low | 28.8 | Very low | 244 Ų | 244 | 139.6 Ų | 139.6 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -145.4 | 157.1 | -176.9 | -79.1 | -171.8 | 175.4 | 165.5 | -2.2 | 116.5 | ||||
| 53 | S | 25.5 | Very low | 28.7 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -67.7 | -157.5 | 167.4 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 54 | P | 41.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | cis | -148.2 | -176.8 | 4.3 | 44.3 | -23.4 | 0 | 0 | 0 | 119.7 | ||||
| 55 | A | 26.6 | Very low | 28.7 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | 73.1 | 107.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 56 | G | 25.2 | Very low | 28.6 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | 81.4 | 126.4 | 113.6 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 57 | Y | 28.2 | Very low | 28.8 | Very low | 219 Ų | 219 | 140.5 Ų | 140.5 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -175.9 | -172.9 | 133.4 | -108 | -69.5 | 0 | 0 | 0 | 111.6 | ||||
| 58 | S | 25.1 | Very low | 28.8 | Very low | 86 Ų | 86 | 144.4 Ų | 144.4 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | trans | -109.3 | 148.8 | -164.2 | 52.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 59 | W | 22.2 | Very low | 29.3 | Very low | 239 Ų | 239 | 142.8 Ų | 142.8 | 91% | 0.905 | 77% | 0.766 | S | S | * | * | trans | 59.8 | 119.2 | 152.6 | -72.1 | 43.3 | 0 | 0 | 0 | 119.4 | ||||
| 60 | V | 31.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 30 | 118.1 | 136 | -172.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 61 | P | 30.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -153.2 | 172.9 | 71.6 | 42.6 | -23.4 | 0 | 0 | 0 | 119.8 | |||||
| 62 | N | 24.4 | Very low | 29.2 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -53.1 | 167.2 | 153.8 | -86.4 | -3.5 | 0 | 0 | 0 | 113 | ||||
| 63 | E | 26.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 58% | 0.584 | 77% | 0.766 | S | S | * | * | cis | -166.9 | 161.9 | 13.7 | -132 | -179.3 | 179.2 | 0 | 0 | 114.7 | ||||
| 64 | K | 27.4 | Very low | 29.6 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | 73.8 | 166 | 141.5 | -88.1 | 166.2 | -165 | 148.8 | 0 | 124.4 | ||||
| 65 | F | 28.6 | Very low | 29.1 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | trans | 78.1 | 121.9 | 175.5 | -58.7 | -78.8 | 0 | 0 | 0 | 117.4 | ||||
| 66 | G | 26.8 | Very low | 29.3 | Very low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 147.1 | 154.3 | -15.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 67 | I | 34.2 | Very low | 29.6 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | trans | 175.7 | 148.8 | 148.3 | -94.6 | 155.2 | 0 | 0 | 0 | 109.4 | ||||
| 68 | R | 29.1 | Very low | 29.4 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -158.7 | 134.2 | -175.3 | -178.3 | -168.2 | -169 | -169.4 | 7 | 110.7 | ||||
| 69 | P | 40.5 | Very low | 30 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -113.8 | 153.9 | 152.1 | 34.2 | -23.5 | 0 | 0 | 0 | 110.3 | ||||
| 70 | Q | 31.4 | Very low | 30.1 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | cis | -145.6 | -173.2 | -8.9 | -142 | 174 | 3.7 | 0 | 0 | 108.2 | ||||
| 71 | S | 29.3 | Very low | 30 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -158.2 | 136.6 | -178.6 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 72 | L | 30.9 | Very low | 30 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 96% | 0.963 | 76% | 0.757 | S | S | * | * | trans | -137.5 | 138.6 | 165.7 | -82.1 | 167.3 | 0 | 0 | 0 | 108.9 | ||||
| 73 | G | 30.7 | Very low | 30.1 | Very low | 56 Ų | 56 | 144.1 Ų | 144.1 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | cis | 166.2 | 150 | -9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 74 | L | 30.9 | Very low | 30.2 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | 66.3 | 160.8 | -172.7 | -43.1 | -175.8 | 0 | 0 | 0 | 112.1 | ||||
| 75 | Y | 30.7 | Very low | 30.3 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | cis | -163.5 | 157.8 | -24 | -104.2 | -9.8 | 0 | 0 | 0 | 105.3 | ||||
| 76 | Q | 31.3 | Very low | 30.3 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | cis | -156.6 | 173.7 | 0.1 | -127.5 | 179.8 | 75 | 0 | 0 | 106.7 | ||||
| 77 | S | 31.3 | Very low | 30.1 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | cis | -140.5 | -124.2 | 3.7 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 78 | N | 23.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 179.7 | -176.4 | -167 | -103.4 | -31.5 | 0 | 0 | 0 | 107.6 | ||||
| 79 | P | 37.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | cis | -141 | -177.1 | 17.4 | 43.6 | -24.4 | 0 | 0 | 0 | 117.9 | ||||
| 80 | M | 24.9 | Very low | 29 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | -95.2 | 170.1 | 166 | -62.3 | 169.1 | 54.7 | 0 | 0 | 113.1 | ||||
| 81 | L | 29 | Very low | 28.8 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -170.5 | 172.7 | 133.9 | -97.5 | 173.9 | 0 | 0 | 0 | 107.2 | ||||
| 82 | H | 30.2 | Very low | 28.8 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | cis | -148.1 | -153.3 | 7.3 | -147.8 | -29.1 | 0 | 0 | 0 | 110.8 | ||||
| 83 | D | 26.5 | Very low | 28.6 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | trans | -106.8 | 177.4 | -176.8 | -52.2 | -81.7 | 0 | 0 | 0 | 111.3 | ||||
| 84 | Q | 30 | Very low | 28.6 | Very low | 139 Ų | 139 | 139 Ų | 139 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | cis | -167.2 | 151.1 | 41.4 | -64.9 | -178.1 | 21.3 | 0 | 0 | 114.1 | ||||
| 85 | K | 28.8 | Very low | 28.4 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | 61.1 | 161.6 | 142.3 | -67.9 | 163.9 | -168.4 | 164.6 | 0 | 119.2 | ||||
| 86 | S | 28.1 | Very low | 28.2 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | -162.8 | 133.3 | -14.7 | 40.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 87 | L | 24.5 | Very low | 28 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | 71.4 | 92.4 | 73.2 | -148.1 | -177.4 | 0 | 0 | 0 | 115.1 | |||||
| 88 | A | 28.2 | Very low | 27.9 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -168.7 | 163.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 89 | S | 27.4 | Very low | 27.9 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -155.7 | 147 | -132.5 | 51 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 90 | N | 23.6 | Very low | 27.6 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | 65.1 | 141.7 | 159.4 | -59.8 | -19.4 | 0 | 0 | 0 | 119.8 | ||||
| 91 | I | 28.5 | Very low | 27.4 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | 179.1 | 146.7 | 119.2 | -93.2 | 161.2 | 0 | 0 | 0 | 110.9 | |||||
| 92 | N | 28.2 | Very low | 27.2 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 63.3 | 111.8 | 175.1 | -59.8 | -18.2 | 0 | 0 | 0 | 118.4 | ||||
| 93 | Q | 26.2 | Very low | 27.2 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | 60.2 | 147.5 | 64 | -73.1 | -167.6 | -19.5 | 0 | 0 | 116.2 | |||||
| 94 | P | 32.4 | Very low | 27.1 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | cis | -140.4 | -163.9 | -26.8 | 39.7 | -20.5 | 0 | 0 | 0 | 113.5 | ||||
| 95 | D | 26.4 | Very low | 27.2 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 59.4 | 114.7 | 157.1 | -57.9 | -26.1 | 0 | 0 | 0 | 119.9 | ||||
| 96 | S | 25.4 | Very low | 27 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | 79.7 | 142.8 | 81.3 | 105.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 97 | S | 27.5 | Very low | 27.1 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -157.5 | -175.1 | 16 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 98 | H | 28.7 | Very low | 27.2 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | 79.9 | 66.9 | 162.3 | -67.1 | -58.2 | 0 | 0 | 0 | 122.6 | ||||
| 99 | R | 25.1 | Very low | 27.3 | Very low | 207 Ų | 207 | 136.9 Ų | 136.9 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | -71.3 | 178.6 | 123.1 | -118.1 | -174.8 | 175.1 | -176.3 | 0.4 | 109.2 | |||||
| 100 | P | 30.3 | Very low | 27.4 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 58% | 0.578 | 75% | 0.745 | S | S | * | * | cis | -137.8 | -159.8 | 1 | 27.3 | 0.1 | 0 | 0 | 0 | 112.9 | I102 | P100-I102 HydrophobicContact CG-CD1 3.98Å; P100-I102 HydrophobicContact CG-CG1 3.75Å | ||
| 101 | T | 19.9 | Very low | 27.6 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 87% | 0.871 | 74% | 0.739 | S | S | * | * | trans | -84 | 133.3 | 153.2 | -44.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 102 | I | 26.4 | Very low | 27.6 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | trans | -146.8 | 152.1 | 169.3 | -25.6 | 176.5 | 0 | 0 | 0 | 109.1 | P100 | P100-I102 HydrophobicContact CG-CD1 3.98Å; P100-I102 HydrophobicContact CG-CG1 3.75Å | ||
| 103 | L | 29.2 | Very low | 27.7 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 67.2 | 126.6 | 170.5 | -58.8 | 168.8 | 0 | 0 | 0 | 114.4 | ||||
| 104 | S | 25.1 | Very low | 27.7 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | 87.3 | 148.3 | 51.1 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 105 | P | 31.4 | Very low | 27.3 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | -102 | -179.4 | -154.4 | 41.2 | -38.1 | 0 | 0 | 0 | 114.9 | ||||
| 106 | D | 25 | Very low | 27.4 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | 68.3 | 139.4 | 163.9 | -55.3 | -48.7 | 0 | 0 | 0 | 115.9 | ||||
| 107 | I | 29.1 | Very low | 27.3 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | S | Bend | cis | -131.4 | 143.4 | 20.4 | -70.9 | 172 | 0 | 0 | 0 | 111.9 | ||
| 108 | S | 27.1 | Very low | 27.1 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 71.9 | 124.6 | 167.7 | 83 | 0 | 0 | 0 | 0 | 116.5 | ||
| 109 | R | 30.1 | Very low | 26.9 | Very low | 228 Ų | 228 | 145.2 Ų | 145.2 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | cis | -145.7 | 140.7 | 13.3 | -65.2 | 177.3 | 171.7 | 154.4 | -2.5 | 112.7 | ||||
| 110 | K | 29.2 | Very low | 27.1 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 70% | 0.704 | 74% | 0.739 | S | S | * | * | trans | 63 | 117.9 | 150 | -69.3 | -175.9 | 148.1 | -77.4 | 0 | 121.5 | ||||
| 111 | E | 29.5 | Very low | 27.1 | Very low | 143 Ų | 143 | 147 Ų | 147 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | 71.8 | 86.2 | 127.5 | -72.3 | 141.3 | -133.3 | 0 | 0 | 121.3 | |||||
| 112 | D | 27.4 | Very low | 27.5 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | 71 | 141.1 | 104.6 | -84.2 | 10 | 0 | 0 | 0 | 125.6 | |||||
| 113 | F | 30.1 | Very low | 27.7 | Very low | 152 Ų | 152 | 158.1 Ų | 158.1 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | trans | 83.4 | 164.1 | 151.6 | -84.5 | -62.8 | 0 | 0 | 0 | 122.4 | M44 | M44-F113 HydrophobicContact CE-CZ 4.08Å; M44-F113 HydrophobicContact CG-CE2 3.61Å; M44-F113 HydrophobicContact CG-CZ 3.62Å; M44-F113 HydrophobicContact SD-CE2 3.49Å; M44-F113 WeakPolarHBondContact SD-CE2 3.43Å; M44-F113 HydrophobicContact SD-CZ 3.51Å; M44-F113 VanDerWaalsContact SD-CZ 3.51Å | ||
| 114 | N | 26.7 | Very low | 27.6 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -151.4 | 145.5 | -137.6 | -169.9 | 2.4 | 0 | 0 | 0 | 112 | ||||
| 115 | S | 23.9 | Very low | 27.6 | Very low | 96 Ų | 96 | 155.7 Ų | 155.7 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 72 | 142.1 | 158.5 | 79.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 116 | K | 27.7 | Very low | 27.3 | Very low | 192 Ų | 192 | 159.5 Ų | 159.5 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 64.5 | 98.1 | 147.1 | -75.8 | -174.4 | 176.1 | -175.8 | 0 | 120.9 | ||||
| 117 | S | 24.5 | Very low | 27.4 | Very low | 98 Ų | 98 | 159.1 Ų | 159.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 72.8 | 117.1 | 116.2 | 67.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 118 | Y | 23.5 | Very low | 27.4 | Very low | 210 Ų | 210 | 157.1 Ų | 157.1 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | 83.7 | 134.9 | 145.7 | -85.6 | -71 | 0 | 0 | 0 | 122.4 | ||||
| 119 | F | 23.7 | Very low | 27.5 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | 87.6 | 140.3 | 154.8 | -85.3 | -67 | 0 | 0 | 0 | 123.6 | ||||
| 120 | K | 28.4 | Very low | 27.5 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 77.7 | 99.6 | 156 | -76.6 | 175.6 | 178.5 | 174.3 | 0 | 120.2 | ||||
| 121 | K | 31.8 | Very low | 27.5 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | -31.7 | 146.1 | 129.4 | -86.1 | 164 | 160.4 | 179.4 | 0 | 112.7 | E1464 | K121-E1464 WeakPolarHBondContact CD-OE1 3.46Å; K121-E1464 WeakPolarHBondContact CD-OE2 3.46Å; K121-E1464 VanDerWaalsContact NZ-CD 3.32Å; K121-E1464 IonicContact NZ-OE1 4Å; K121-E1464 IonicContact NZ-OE2 2.7Å; K121-E1464 PolarHBondContact NZ-OE2 2.81Å | |||
| 122 | R | 27.6 | Very low | 27.3 | Very low | 251 Ų | 251 | 152.6 Ų | 152.6 | 95% | 0.947 | 74% | 0.743 | S | S | * | * | -155.6 | 153.3 | 119.3 | -110.8 | 176.1 | -176.5 | -167.5 | -1.6 | 110.8 | |||||
| 123 | R | 29.7 | Very low | 27.4 | Very low | 255 Ų | 255 | 150.3 Ų | 150.3 | 96% | 0.962 | 74% | 0.742 | S | S | * | * | trans | -92.3 | 159 | 169.2 | -73.9 | -178.5 | 174.2 | 177.8 | -1.2 | 109.6 | ||||
| 124 | G | 27.7 | Very low | 27.2 | Very low | 65 Ų | 65 | 149 Ų | 149 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 140.3 | 140.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 125 | T | 26.1 | Very low | 27.3 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | cis | -155.2 | 174.9 | -10.8 | -23.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 126 | F | 23.3 | Very low | 27.4 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -54.7 | 144.5 | 164.5 | -77.4 | -114.4 | 0 | 0 | 0 | 110.3 | ||||
| 127 | D | 28.5 | Very low | 27.5 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | -151.3 | 144.1 | 110.8 | -121.2 | -29.7 | 0 | 0 | 0 | 115.6 | |||||
| 128 | N | 28.6 | Very low | 27.4 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | trans | -25.4 | 162.1 | 148.6 | -66.5 | -67.1 | 0 | 0 | 0 | 116.6 | ||||
| 129 | N | 28.3 | Very low | 27.6 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | cis | -166.6 | 163 | 10.3 | -133.6 | -35.2 | 0 | 0 | 0 | 112.8 | ||||
| 130 | N | 30.2 | Very low | 27.8 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | trans | 63.2 | 146.7 | 159.3 | -65.7 | -58.2 | 0 | 0 | 0 | 117 | ||||
| 131 | K | 29.3 | Very low | 27.7 | Very low | 171 Ų | 171 | 137 Ų | 137 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | cis | -166.6 | 165.5 | -2.1 | -118.3 | 165.1 | -173.6 | 156.4 | 0 | 107.5 | ||||
| 132 | N | 26.8 | Very low | 27.6 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -157.5 | 170.6 | -0.4 | -166.4 | 26.1 | 0 | 0 | 0 | 109.6 | ||||
| 133 | A | 28.8 | Very low | 27.5 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 67.2 | 151.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 134 | T | 25.4 | Very low | 27.4 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | cis | -162.8 | 174.6 | -27.5 | -65.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 135 | V | 28.5 | Very low | 27.3 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | trans | 90.4 | 143.4 | 165.4 | -171.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 136 | P | 27.5 | Very low | 27.4 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | trans | -111.4 | -131.3 | -165.2 | 43.2 | -30.8 | 0 | 0 | 0 | 112.8 | ||||
| 137 | T | 29.9 | Very low | 27.6 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | 64.4 | 126.3 | -169.8 | 47.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 138 | S | 22.1 | Very low | 27.6 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | cis | 70.1 | 156.1 | 49.9 | 92.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 139 | L | 28.3 | Very low | 27.6 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | trans | 71.5 | 145.1 | -169.1 | -52.7 | 171.6 | 0 | 0 | 0 | 113 | ||||
| 140 | V | 27.9 | Very low | 28 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | cis | 174.1 | 127.1 | -22.5 | 122.9 | 0 | 0 | 0 | 0 | 103 | ||||
| 141 | S | 24.8 | Very low | 27.8 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | trans | -66.5 | 144.8 | 163.5 | -22.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 142 | P | 30 | Very low | 27.6 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | -157.7 | 162.5 | 74.7 | 43.2 | -23.8 | 0 | 0 | 0 | 119.1 | |||||
| 143 | N | 25.9 | Very low | 27.7 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | -35.9 | 178.8 | 136.6 | -62.6 | -22.8 | 0 | 0 | 0 | 114.7 | ||||
| 144 | I | 27.7 | Very low | 27.5 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | cis | -167.6 | 170.3 | 9.2 | -132.4 | 171.9 | 0 | 0 | 0 | 107.6 | ||||
| 145 | T | 25.8 | Very low | 27.7 | Very low | 65 Ų | 65 | 129 Ų | 129 | 40% | 0.399 | 72% | 0.722 | S | S | . | * | cis | -146.7 | 153.1 | -4.5 | 24.7 | 0 | 0 | 0 | 0 | 108.1 | N147 | T145-N147 WeakPolarHBondContact CB-OD1 3.35Å; T145-N147 HydrophobicContact CG2-CB 4.25Å; T145-N147 PolarHBondContact OG1-OD1 3Å | ||
| 146 | Y | 28.1 | Very low | 27.7 | Very low | 251 Ų | 251 | 130.3 Ų | 130.3 | 98% | 0.984 | 72% | 0.718 | S | S | * | * | -117.2 | 87.6 | 127.7 | -95.8 | -78.2 | 0 | 0 | 0 | 104.8 | |||||
| 147 | N | 26.9 | Very low | 27.7 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 47% | 0.471 | 71% | 0.713 | S | S | . | * | 85.9 | 66.8 | 50.5 | -135.8 | 59.9 | 0 | 0 | 0 | 113.9 | T145 N149 | T145-N147 WeakPolarHBondContact CB-OD1 3.35Å; T145-N147 HydrophobicContact CG2-CB 4.25Å; T145-N147 PolarHBondContact OG1-OD1 3Å; N147-N149 WeakPolarHBondContact CA-OD1 3.32Å; N147-N149 PolarHBondContact ND2-ND2 3.22Å; N147-N149 PolarHBondContact OD1-OD1 3.07Å | |||
| 148 | S | 29.4 | Very low | 27.7 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -163.5 | 111.6 | 152.8 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 149 | N | 28 | Very low | 28 | Very low | 89 Ų | 89 | 133 Ų | 133 | 48% | 0.476 | 72% | 0.716 | S | S | . | * | -156.9 | 145.4 | -51.4 | -96 | -7.3 | 0 | 0 | 0 | 106.2 | N147 T151 | N147-N149 WeakPolarHBondContact CA-OD1 3.32Å; N147-N149 PolarHBondContact ND2-ND2 3.22Å; N147-N149 PolarHBondContact OD1-OD1 3.07Å; N149-T151 HydrophobicContact CB-CG2 4.38Å | |||
| 150 | N | 37.2 | Very low | 28 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | cis | 56.7 | 60.2 | 28.2 | -92.8 | 8.8 | 0 | 0 | 0 | 113.6 | S152 | N150-S152 VanDerWaalsContact C-N 3.3Å; N150-S152 PolarHBondContact O-N 3.48Å | ||
| 151 | T | 26 | Very low | 27.8 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | trans | -88.6 | 57.3 | 174.4 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | N149 | N149-T151 HydrophobicContact CB-CG2 4.38Š| ||
| 152 | S | 25 | Very low | 28.5 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | trans | -87 | 110.3 | 152 | 56.4 | 0 | 0 | 0 | 0 | 108.4 | N150 | N150-S152 VanDerWaalsContact C-N 3.3Å; N150-S152 PolarHBondContact O-N 3.48Å | ||
| 153 | K | 27.9 | Very low | 28.2 | Very low | 194 Ų | 194 | 137 Ų | 137 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | trans | -75.6 | 122.4 | 155.2 | -71.1 | -179.9 | 179.5 | 178.2 | 0 | 105.9 | ||||
| 154 | N | 26.3 | Very low | 28.1 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | 48.5 | 108.7 | 90.5 | -71.7 | 5.7 | 0 | 0 | 0 | 110.6 | |||||
| 155 | E | 28.2 | Very low | 28 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | -145.6 | -168.1 | 10.9 | -57 | -167.1 | 80.5 | 0 | 0 | 111.2 | ||||
| 156 | K | 29.9 | Very low | 28 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | cis | -157.4 | -172.8 | 11.1 | -146.4 | 162.2 | -177.2 | 73 | 0 | 111.8 | ||||
| 157 | S | 26.1 | Very low | 28 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | -50.5 | 157.6 | 171 | 60.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 158 | K | 30.6 | Very low | 28.1 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | cis | -165.1 | 141.4 | 34.1 | -135.4 | 152.4 | -177.6 | -179.9 | 0 | 112 | ||||
| 159 | T | 28.8 | Very low | 28 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | trans | 23 | 144.5 | 142.8 | 59.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 160 | N | 28.1 | Very low | 28 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | cis | -165.3 | 136.5 | -1.9 | -92.4 | -14.3 | 0 | 0 | 0 | 107.1 | ||||
| 161 | L | 24 | Very low | 27.6 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | 73.7 | 154.3 | 88.2 | -96.9 | 83.3 | 0 | 0 | 0 | 116.8 | |||||
| 162 | P | 38.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | -142.4 | -171.5 | -126.3 | 42.9 | -21.8 | 0 | 0 | 0 | 118.1 | |||||
| 163 | Y | 24.9 | Very low | 27.9 | Very low | 198 Ų | 198 | 146 Ų | 146 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | 63.9 | 130.7 | 150.2 | -102.4 | -64.8 | 0 | 0 | 0 | 122.5 | ||||
| 164 | F | 23.9 | Very low | 28 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 80% | 0.803 | 73% | 0.729 | S | S | * | * | trans | 62 | 156.3 | 169.7 | -70.6 | -71.6 | 0 | 0 | 0 | 115.9 | ||||
| 165 | Q | 25.1 | Very low | 28.1 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | cis | -136 | -165.4 | 12.5 | -146.1 | 170.6 | 15 | 0 | 0 | 112.5 | ||||
| 166 | S | 26 | Very low | 28.2 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -74.9 | 158.8 | -165.8 | 49.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 167 | S | 27.7 | Very low | 28.2 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | trans | -41.6 | 159.4 | 168.8 | 53.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 168 | H | 29 | Very low | 28.3 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | cis | -160.9 | 161.3 | 45.5 | -94.7 | -73.6 | 0 | 0 | 0 | 114.9 | ||||
| 169 | L | 26.6 | Very low | 28.4 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | 66.7 | 140.2 | 161.5 | -93 | 72.1 | 0 | 0 | 0 | 115.8 | ||||
| 170 | K | 28.1 | Very low | 28.3 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | cis | -134.2 | 157.2 | 16.2 | -66.3 | 176.5 | -179.6 | 165.8 | 0 | 112.9 | ||||
| 171 | K | 28.7 | Very low | 28.2 | Very low | 195 Ų | 195 | 131.2 Ų | 131.2 | 85% | 0.848 | 68% | 0.683 | S | S | * | * | trans | 6 | 149.2 | 133.7 | -61.9 | -177.2 | 177.6 | -174.6 | 0 | 119.3 | ||||
| 172 | S | 27.5 | Very low | 28.3 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | cis | -179.1 | 171.3 | -10.4 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 173 | T | 30.2 | Very low | 27.9 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | trans | 66.9 | 145.2 | 146.1 | 44.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 174 | S | 30.2 | Very low | 27.8 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | cis | 178.7 | 165.2 | -14.5 | 56.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 175 | R | 29.6 | Very low | 28 | Very low | 229 Ų | 229 | 134.7 Ų | 134.7 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | 74.7 | 148.6 | 149.4 | -75.5 | 160.9 | 174.3 | -169.2 | -5.2 | 117.9 | ||||
| 176 | T | 29.1 | Very low | 27.8 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | cis | -144.7 | -171.3 | 5.4 | -15.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 177 | S | 29.4 | Very low | 28.5 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | cis | -153.5 | -165.8 | 11 | 63.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 178 | S | 29.7 | Very low | 28.6 | Very low | 29 Ų | 29 | 134.6 Ų | 134.6 | 20% | 0.203 | 69% | 0.691 | C | S | . | * | cis | -155.1 | -173.8 | 7.5 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | R661 S662 | S178-R661 WeakPolarHBondContact O-CG 3.34Å; S178-R661 PolarHBondContact OG-NE 3.37Å; S178-S662 CarbonylContact C-O 3.57Å; S178-S662 CarbonylContact O-C 3.48Å; S178-S662 PolarHBondContact O-N 3.46Å; S178-S662 PolarHBondContact O-OG 3.18Å; S178-S662 VanDerWaalsContact O-OG 3.04Å | ||
| 179 | K | 31.8 | Very low | 28.4 | Very low | 70 Ų | 70 | 136 Ų | 136 | 30% | 0.304 | 70% | 0.695 | S | S | . | * | -157.3 | 147.3 | -65.6 | -81.8 | 151 | -173.9 | -70.4 | 0 | 109.7 | S662 N663 E664 | K179-S662 CarbonylContact C-O 3.53Å; K179-S662 WeakPolarHBondContact CA-O 3.03Å; K179-S662 PolarHBondContact N-O 2.77Å; K179-N663 VanDerWaalsContact CA-N 3.31Å; K179-N663 HydrophobicContact CB-CB 4.46Å; K179-N663 HydrophobicContact CG-CB 4.22Å; K179-E664 HydrophobicContact CB-CB 4.45Å; K179-E664 VanDerWaalsContact CD-OE2 3.24Å; K179-E664 WeakPolarHBondContact CD-OE2 3.33Å; K179-E664 WeakPolarHBondContact CE-OE2 3.17Å; K179-E664 HydrophobicContact CG-CB 4.16Å; K179-E664 VanDerWaalsContact CG-OE2 3.29Å; K179-E664 WeakPolarHBondContact CG-OE2 3.44Å; K179-E664 IonicContact NZ-OE1 3.14Å; K179-E664 PolarHBondContact NZ-OE1 2.96Å; K179-E664 IonicContact NZ-OE2 3.71Å; K179-E664 PolarHBondContact NZ-OE2 2.75Å | |||
| 180 | E | 27.6 | Very low | 28.5 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 65% | 0.645 | 70% | 0.695 | S | S | * | * | trans | 69.8 | 156.2 | 176 | -59.8 | 126.3 | 103.3 | 0 | 0 | 120.2 | S662 N663 | E180-S662 PolarHBondContact N-O 3.27Å; E180-N663 WeakPolarHBondContact CA-O 3.27Å; E180-N663 PolarHBondContact N-O 2.82Å | ||
| 181 | S | 25.4 | Very low | 28.2 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | cis | -175.4 | 144 | -30.9 | 64.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 182 | I | 26.6 | Very low | 28 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 81% | 0.805 | 69% | 0.691 | S | S | * | * | trans | 66 | 131.5 | 145.4 | -60.3 | 159.3 | 0 | 0 | 0 | 119.9 | ||||
| 183 | R | 28.4 | Very low | 27.8 | Very low | 212 Ų | 212 | 130.8 Ų | 130.8 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | -163.4 | -176.3 | 61.5 | -155.9 | 155.5 | -179.3 | 166 | 9.1 | 116.6 | |||||
| 184 | E | 23 | Very low | 27.6 | Very low | 120 Ų | 120 | 133 Ų | 133 | 56% | 0.561 | 70% | 0.697 | S | S | * | * | trans | -93.1 | 165.2 | -161.1 | -44.1 | 146.7 | 72.5 | 0 | 0 | 119.6 | ||||
| 185 | R | 27.7 | Very low | 27.4 | Very low | 224 Ų | 224 | 135.6 Ų | 135.6 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | 125.1 | 149.8 | 137.6 | -74.9 | -179.8 | -175.5 | -165.9 | -2.2 | 120.7 | ||||
| 186 | S | 21.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -156.3 | -172.6 | 173 | 62.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 187 | P | 41 | Very low | 27.1 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | -124.6 | 171.5 | -55.4 | 37.3 | -22.5 | 0 | 0 | 0 | 113.4 | |||||
| 188 | V | 29.4 | Very low | 27 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 86% | 0.855 | 69% | 0.692 | S | S | * | * | trans | -144.2 | 152 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 189 | K | 23.8 | Very low | 27 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | trans | -104.3 | 140.2 | 172.3 | -62.5 | 175.7 | 179.8 | 174.7 | 0 | 112.2 | ||||
| 190 | L | 28.7 | Very low | 26.8 | Very low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | -165.1 | 133.9 | 146.6 | -88.6 | 131.6 | 0 | 0 | 0 | 106 | ||||
| 191 | L | 21.8 | Very low | 26.8 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | 70.8 | 132.8 | 59.1 | -88.2 | 171.4 | 0 | 0 | 0 | 115.2 | |||||
| 192 | S | 25.3 | Very low | 26.6 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | 53.6 | 114 | -179.8 | 43.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 193 | A | 24.1 | Very low | 26.7 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | cis | 72.8 | 132 | 42.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 194 | K | 25.3 | Very low | 26.4 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 65.8 | 153.9 | -176.9 | -63.4 | 173.8 | 154.2 | -77 | 0 | 114.2 | ||||
| 195 | E | 25.3 | Very low | 26.6 | Very low | 139 Ų | 139 | 134 Ų | 134 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -161.9 | 154.1 | -19.7 | -108.1 | 155.2 | 177.1 | 0 | 0 | 104 | ||||
| 196 | T | 26.7 | Very low | 26.3 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | -166.6 | 157 | 55.5 | 39.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 197 | H | 27.2 | Very low | 26.4 | Very low | 145 Ų | 145 | 132 Ų | 132 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | 39.5 | 142.8 | 135.7 | -55.3 | -45.1 | 0 | 0 | 0 | 121.5 | ||||
| 198 | F | 26.4 | Very low | 25.6 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | cis | -159.5 | 162.4 | 26.6 | -101.7 | -42.7 | 0 | 0 | 0 | 108 | ||||
| 199 | L | 29.6 | Very low | 25.2 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | cis | -156.1 | 137.1 | 12.9 | -112.1 | 162 | 0 | 0 | 0 | 109.1 | ||||
| 200 | N | 27.2 | Very low | 25.2 | Very low | 108 Ų | 108 | 135 Ų | 135 | 58% | 0.578 | 73% | 0.734 | S | S | * | * | trans | 51.7 | 156.1 | 138.2 | -69.6 | 9.3 | 0 | 0 | 0 | 123.3 | ||||
| 201 | Y | 28.7 | Very low | 24.9 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | cis | -145.1 | 152.8 | 5.8 | -126.1 | -44.5 | 0 | 0 | 0 | 112.9 | L313 | Y201-L313 WeakPolarHBondContact O-CD1 3.23Š| ||
| 202 | N | 20.7 | Very low | 25.1 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 49% | 0.492 | 74% | 0.736 | S | S | . | * | trans | -110.3 | 120.5 | 162.7 | -157.8 | -5.8 | 0 | 0 | 0 | 110.8 | H312 L313 | N202-H312 PolarHBondContact ND2-O 2.91Å; N202-L313 HydrophobicContact CB-CD1 3.73Å; N202-L313 HydrophobicContact CB-CD2 4.02Å; N202-L313 HydrophobicContact CB-CG 3.77Å | ||
| 203 | A | 28 | Very low | 25 | Very low | 80 Ų | 80 | 145.6 Ų | 145.6 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | trans | -173.5 | 129 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 204 | V | 22.6 | Very low | 25.1 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 87% | 0.873 | 74% | 0.74 | S | S | * | * | cis | 60.5 | 85.6 | 38.9 | -168.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 205 | G | 26.5 | Very low | 25 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -159.2 | 118.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | N | 21.3 | Very low | 25.1 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -67 | 142.8 | 172.2 | -75.1 | -69 | 0 | 0 | 0 | 110.5 | ||||
| 207 | V | 25.1 | Very low | 25 | Very low | 130 Ų | 130 | 142 Ų | 142 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | 171.6 | 136.4 | 122.1 | 149.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 208 | R | 23.7 | Very low | 24.9 | Very low | 212 Ų | 212 | 141 Ų | 141 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | 47.5 | 112.5 | 161.8 | -79.8 | 176.2 | 164.3 | 157.2 | -5 | 120.8 | ||||
| 209 | E | 20.9 | Very low | 24.9 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | 26.1 | 114.5 | 107.2 | -59.3 | 164 | 144.2 | 0 | 0 | 118.1 | |||||
| 210 | S | 24.1 | Very low | 24.8 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | -164.3 | 145.9 | 122.1 | 20.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 211 | Y | 22.7 | Very low | 24.8 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -71.4 | 140.3 | 179.9 | -73.2 | -101.3 | 0 | 0 | 0 | 112.1 | ||||
| 212 | K | 25.4 | Very low | 24.7 | Very low | 208 Ų | 208 | 150.3 Ų | 150.3 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -160.2 | 130.8 | 132.1 | -113.4 | 162.7 | -173.9 | 175.9 | 0 | 112.9 | ||||
| 213 | Y | 22.4 | Very low | 24.9 | Very low | 238 Ų | 238 | 155.2 Ų | 155.2 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | trans | -63.7 | 143.4 | 165 | -101.1 | -108.5 | 0 | 0 | 0 | 110 | ||||
| 214 | G | 26.2 | Very low | 24.8 | Very low | 64 Ų | 64 | 156.4 Ų | 156.4 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | -160.3 | 61.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 215 | T | 24.5 | Very low | 24.9 | Very low | 134 Ų | 134 | 157.6 Ų | 157.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 10.9 | 113.9 | 159.4 | 49.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 216 | V | 27.3 | Very low | 24.8 | Very low | 134 Ų | 134 | 158.3 Ų | 158.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -118.4 | 108.5 | 144.2 | 179 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 217 | V | 23.9 | Very low | 25.1 | Very low | 102 Ų | 102 | 157.6 Ų | 157.6 | 62% | 0.618 | 79% | 0.785 | S | S | * | * | trans | -79.2 | 120.4 | 169 | 150.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 218 | N | 25.7 | Very low | 25.2 | Very low | 126 Ų | 126 | 155.5 Ų | 155.5 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | -100.2 | 137.8 | 147.7 | -87.6 | -42.8 | 0 | 0 | 0 | 109 | K1388 | N218-K1388 PolarHBondContact O-NZ 3.16Š| ||
| 219 | K | 26.9 | Very low | 25.5 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -137.6 | 110.9 | 166.2 | -154.9 | -176.6 | -174.4 | -173.2 | 0 | 104.8 | K1388 | K219-K1388 HydrophobicContact CG-CD 4.41Š| ||
| 220 | Y | 27.5 | Very low | 25.9 | Very low | 225 Ų | 225 | 150.8 Ų | 150.8 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.2 | 176.1 | -93.2 | -85.5 | 0 | 0 | 0 | 109.7 | ||
| 221 | K | 26.8 | Very low | 25.9 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 116.2 | -171.7 | -170.5 | 174.8 | -176.6 | 177.1 | 0 | 109.4 | ||
| 222 | E | 25.8 | Very low | 26.2 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 151 | 169.8 | -70.7 | -179.9 | 132 | 0 | 0 | 110.7 | ||
| 223 | K | 25.4 | Very low | 26.4 | Very low | 195 Ų | 195 | 147 Ų | 147 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -97.3 | 96.5 | -178.9 | -98.7 | -172.2 | 174.2 | -178.6 | 0 | 111.6 | ||||
| 224 | S | 25.6 | Very low | 26.7 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -132.1 | 118.4 | 143.5 | 47.3 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 225 | Q | 25.1 | Very low | 26.6 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 47.8 | 111.6 | 52.3 | -66.7 | -176.8 | -80.3 | 0 | 0 | 111.5 | |||||
| 226 | S | 25.4 | Very low | 26.8 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -173 | 168.5 | 2.8 | 37.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 227 | I | 27.7 | Very low | 26.8 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 72.7 | 115.5 | 166.1 | -63 | 147 | 0 | 0 | 0 | 112 | ||||
| 228 | S | 25.8 | Very low | 26.9 | Very low | 85 Ų | 85 | 148.7 Ų | 148.7 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | 75.1 | 152.7 | 51.3 | 101.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 229 | D | 29.6 | Very low | 26.9 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | cis | -140.3 | 178.4 | -4.7 | -84.7 | -58.8 | 0 | 0 | 0 | 108 | ||||
| 230 | E | 30.1 | Very low | 27.5 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | cis | -138.5 | -177.1 | 7.9 | -156.2 | -172.4 | 94.4 | 0 | 0 | 109.3 | K647 | E230-K647 IonicContact OE1-NZ 3.51Å; E230-K647 PolarHBondContact OE1-NZ 2.64Å; E230-K647 IonicContact OE2-NZ 2.76Å; E230-K647 PolarHBondContact OE2-NZ 2.93Å | ||
| 231 | T | 23.9 | Very low | 27.6 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -98 | 146.1 | 179.9 | 53 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 232 | T | 30.4 | Very low | 27.7 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -169.9 | 135.5 | 159.1 | 11.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 233 | K | 29.6 | Very low | 28.1 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | 55.3 | 137 | 58.5 | -74.3 | -178.5 | -179.8 | 174.6 | 0 | 113.5 | |||||
| 234 | V | 26.9 | Very low | 28.1 | Very low | 125 Ų | 125 | 129 Ų | 129 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | cis | -170.8 | 156.4 | -24.7 | 108.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 235 | S | 25.5 | Very low | 28.4 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | 57 | 122.3 | 161.6 | 64.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 236 | Q | 27.8 | Very low | 28.7 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | 66.6 | 101.1 | 124.7 | -62.6 | -179.6 | 0.1 | 0 | 0 | 123.4 | |||||
| 237 | S | 28.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 22.5 | 132.4 | 115.8 | 62.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 238 | R | 25.6 | Very low | 28.9 | Very low | 223 Ų | 223 | 136.5 Ų | 136.5 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -171 | 161.1 | 150.8 | -98.5 | 145.2 | -168.8 | -150.1 | 3 | 108.3 | ||||
| 239 | S | 25.8 | Very low | 29 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -160.9 | 157.4 | -1.1 | 37.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 240 | A | 39.2 | Very low | 28.9 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | -165.5 | -170.2 | 79.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 241 | S | 29.4 | Very low | 28.8 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -134 | 136.3 | -147.5 | 57.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 242 | T | 29.2 | Very low | 29.1 | Very low | 127 Ų | 127 | 140 Ų | 140 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 30.6 | 143.6 | 137.5 | 57.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 243 | P | 32.9 | Very low | 29.1 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | -158.5 | 179.1 | 51.1 | 45.4 | -24.6 | 0 | 0 | 0 | 120.7 | |||||
| 244 | S | 26.7 | Very low | 29.1 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | 78.5 | 112.8 | 142.7 | -70.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 245 | R | 30.7 | Very low | 29.2 | Very low | 236 Ų | 236 | 135.4 Ų | 135.4 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | 124.7 | 139.3 | 115.1 | -145 | 177.8 | -168.7 | 172.3 | 4.9 | 117.3 | |||||
| 246 | K | 31.2 | Very low | 29.5 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | trans | 77.4 | 77.4 | 171 | -62.7 | -155.7 | 174.3 | -171.5 | 0 | 118.7 | ||||
| 247 | L | 28.9 | Very low | 29.4 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | -47.4 | 163.7 | 128.9 | -89.6 | 149.1 | 0 | 0 | 0 | 112.3 | |||||
| 248 | P | 29.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | S | Bend | -116.5 | 128.6 | 109.6 | 33.1 | -32.8 | 0 | 0 | 0 | 111.5 | |||
| 249 | Q | 27.4 | Very low | 29.7 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -147.2 | 141.8 | -10.4 | -117.7 | -177.6 | -100.2 | 0 | 0 | 108.3 | ||
| 250 | D | 27.8 | Very low | 29.7 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | trans | 59.2 | 134.1 | 150.4 | -45.9 | -23.5 | 0 | 0 | 0 | 119.3 | ||||
| 251 | E | 28.1 | Very low | 29.2 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | cis | -155.7 | 144.1 | -5.9 | -96.5 | -177.6 | 142.6 | 0 | 0 | 107.3 | ||||
| 252 | E | 29.8 | Very low | 29.2 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | 69.5 | 133.5 | 65.4 | -74.9 | -125.4 | 85.8 | 0 | 0 | 114.6 | |||||
| 253 | K | 31 | Very low | 29 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | cis | -159.2 | -172.7 | 17.8 | -83.6 | 140.2 | -172 | 106.7 | 0 | 110.9 | ||||
| 254 | S | 28.5 | Very low | 28.7 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | -173.8 | 132.2 | -63.8 | 64.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 255 | T | 29.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | 71.9 | 172 | 157 | 71.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 256 | K | 30.5 | Very low | 29 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | cis | -167.2 | 157.5 | 4.2 | -126.9 | 155.5 | -162.2 | 169.7 | 0 | 114.5 | ||||
| 257 | N | 26.6 | Very low | 28.6 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | trans | 61.3 | 141.6 | 145.2 | -65.1 | -10.2 | 0 | 0 | 0 | 127 | ||||
| 258 | A | 31.6 | Very low | 28.3 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | 146.6 | 113.8 | 119.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 259 | E | 28.1 | Very low | 27.9 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | trans | 45 | 134.3 | 133.5 | -67.3 | -174.8 | 131.6 | 0 | 0 | 129.6 | ||||
| 260 | F | 26.5 | Very low | 27.7 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | trans | 54.5 | 157.4 | 146.4 | -66.2 | -59.4 | 0 | 0 | 0 | 121.7 | ||||
| 261 | Q | 27.9 | Very low | 27.5 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 62% | 0.621 | 68% | 0.684 | S | S | * | * | cis | -163.5 | 155.8 | 6.2 | -127.3 | 171.1 | 58 | 0 | 0 | 111.1 | ||||
| 262 | K | 29.8 | Very low | 27.3 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 60% | 0.596 | 69% | 0.689 | S | S | * | * | trans | 90.4 | -172.2 | 157.3 | -66.9 | 154.8 | 176.4 | 150.7 | 0 | 122.9 | ||||
| 263 | Y | 25.7 | Very low | 27.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | trans | -144.3 | -166.3 | -130 | -52.8 | 134 | 0 | 0 | 0 | 116.7 | C643 N644 I645 | Y263-C643 WeakPolarHBondContact O-CB 3.34Å; Y263-C643 PolarHBondContact O-SG 3.44Å; Y263-N644 WeakPolarHBondContact CD1-OD1 3.24Å; Y263-I645 HydrophobicContact CD1-CB 3.74Å; Y263-I645 HydrophobicContact CD1-CG2 3.31Å; Y263-I645 HydrophobicContact CD2-CB 3.91Å; Y263-I645 HydrophobicContact CD2-CD1 3.3Å; Y263-I645 HydrophobicContact CD2-CG1 4.18Å; Y263-I645 HydrophobicContact CD2-CG2 3.91Å; Y263-I645 HydrophobicContact CE1-CB 4.32Å; Y263-I645 HydrophobicContact CE1-CG2 3.42Å; Y263-I645 VanDerWaalsContact CE1-CG2 3.42Å; Y263-I645 HydrophobicContact CE2-CB 4.49Å; Y263-I645 HydrophobicContact CE2-CD1 3.77Å; Y263-I645 HydrophobicContact CE2-CG2 4.03Å; Y263-I645 HydrophobicContact CG-CB 3.51Å; Y263-I645 HydrophobicContact CG-CD1 3.84Å; Y263-I645 HydrophobicContact CG-CG1 4.25Å; Y263-I645 HydrophobicContact CG-CG2 3.57Å | ||
| 264 | H | 27.2 | Very low | 27.2 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 56% | 0.556 | 70% | 0.696 | S | S | * | * | cis | -143.5 | -164.1 | 28.5 | -136.6 | -33 | 0 | 0 | 0 | 115.4 | C643 N644 I645 | H264-C643 PolarHBondContact CD2-O 2.83Å; H264-C643 VanDerWaalsContact CD2-O 3.26Å; H264-N644 VanDerWaalsContact CB-C 3.45Å; H264-N644 WeakPolarHBondContact CB-O 3.4Å; H264-N644 WeakPolarHBondContact CD2-CA 3.39Å; H264-N644 WeakPolarHBondContact CD2-CB 3.22Å; H264-N644 PolarHBondContact CD2-N 2.96Å; H264-N644 PolarHBondContact CD2-O 3.47Å; H264-N644 PolarHBondContact CE1-O 2.78Å; H264-N644 PolarHBondContact ND1-O 2.79Å; H264-N644 WeakPolarHBondContact NE2-CA 3.09Å; H264-N644 WeakPolarHBondContact NE2-CB 3.19Å; H264-N644 PolarHBondContact NE2-O 3.46Å; H264-I645 WeakPolarHBondContact CE1-CA 3.29Å; H264-I645 PolarHBondContact CE1-N 3.36Å; H264-I645 PolarHBondContact CE1-O 3.03Å; H264-I645 VanDerWaalsContact CE1-O 3.27Å; H264-I645 VanDerWaalsContact CG-N 3.31Å; H264-I645 WeakPolarHBondContact ND1-CA 3.33Å; H264-I645 PolarHBondContact ND1-N 3.02Å; H264-I645 PolarHBondContact NE2-N 3.32Å; H264-I645 VanDerWaalsContact NE2-N 3.13Å | ||
| 265 | E | 23.9 | Very low | 27.6 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | trans | -134.2 | 178.4 | 155.7 | -82.5 | -164.5 | 118.8 | 0 | 0 | 109.1 | N644 | E265-N644 VanDerWaalsContact O-O 3.05Š| ||
| 266 | P | 39.7 | Very low | 27.3 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | cis | -131.8 | -165.7 | -27.6 | 30.2 | -7.4 | 0 | 0 | 0 | 113.4 | ||||
| 267 | Q | 22.1 | Very low | 27.2 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | trans | 117.6 | 141.8 | 153.1 | -69.7 | -72.2 | 10.9 | 0 | 0 | 120.9 | ||||
| 268 | L | 23.5 | Very low | 27.2 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | trans | 43.9 | 110.2 | 150.3 | -79.7 | 163.2 | 0 | 0 | 0 | 124.1 | ||||
| 269 | S | 21.1 | Very low | 26.9 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | 60.6 | 138.9 | 125 | 70 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 270 | S | 22.1 | Very low | 26.8 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | trans | 84.8 | 154.3 | 149.1 | 83.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 271 | S | 24.2 | Very low | 26.9 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | 66.9 | 128.3 | -179.4 | -43.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 272 | Q | 23.8 | Very low | 27.1 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | cis | 67.2 | 154.9 | 48.7 | -62 | -166.9 | -9.8 | 0 | 0 | 114.3 | ||||
| 273 | I | 27.1 | Very low | 27.2 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | 68.9 | 97.6 | -175.6 | -48.2 | 170.4 | 0 | 0 | 0 | 110.7 | ||||
| 274 | K | 31.3 | Very low | 27.4 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | cis | 59.3 | 77.7 | 35.7 | -147.7 | -163.5 | -172.5 | -152.5 | 0 | 114.2 | H276 | K274-H276 WeakPolarHBondContact CE-NE2 3.38Å; K274-H276 PolarHBondContact NZ-NE2 2.98Å | ||
| 275 | P | 36.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | trans | -82.7 | 133.5 | 140.8 | -4.2 | 23.3 | 0 | 0 | 0 | 108.8 | ||||
| 276 | H | 23.3 | Very low | 27.8 | Very low | 119 Ų | 119 | 132 Ų | 132 | 55% | 0.551 | 72% | 0.718 | S | S | * | * | cis | 46.4 | 101.5 | 13.2 | -73.5 | -60.5 | 0 | 0 | 0 | 112.3 | K274 | K274-H276 WeakPolarHBondContact CE-NE2 3.38Å; K274-H276 PolarHBondContact NZ-NE2 2.98Å | ||
| 277 | E | 29.9 | Very low | 27.2 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | cis | -131.2 | 143.9 | 42.5 | -70.2 | 163.8 | 134.4 | 0 | 0 | 111.5 | ||||
| 278 | A | 26.1 | Very low | 27.7 | Very low | 58 Ų | 58 | 131.3 Ų | 131.3 | 48% | 0.479 | 72% | 0.718 | S | S | . | * | cis | 76.7 | 102.9 | 31.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 279 | N | 25.3 | Very low | 27.9 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | trans | 70 | 139.1 | 157.8 | -45.5 | -35.5 | 0 | 0 | 0 | 115.4 | ||||
| 280 | K | 25.4 | Very low | 28.2 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | cis | -144.6 | -175.7 | 35.9 | -77.5 | 179.8 | 173.6 | 177.9 | 0 | 112.4 | D625 | K280-D625 IonicContact NZ-OD1 2.7Å; K280-D625 PolarHBondContact NZ-OD1 3.2Å; K280-D625 IonicContact NZ-OD2 2.65Å | ||
| 281 | L | 28.7 | Very low | 28.4 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | 82.6 | 126.6 | 171.7 | -48 | 176.3 | 0 | 0 | 0 | 112.4 | ||||
| 282 | I | 31.9 | Very low | 28.5 | Very low | 136 Ų | 136 | 132 Ų | 132 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | cis | -149.4 | 139.1 | -2.3 | -135.9 | 161.8 | 0 | 0 | 0 | 112 | ||||
| 283 | K | 31.9 | Very low | 28.7 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | 40.9 | 144.3 | 145.3 | -80.3 | -176 | 170.2 | -164.9 | 0 | 123.3 | ||||
| 284 | D | 29.5 | Very low | 28.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | 54.8 | 113.8 | 139.4 | -46.6 | -14.4 | 0 | 0 | 0 | 117.6 | ||||
| 285 | G | 26.8 | Very low | 28.5 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | cis | 90.3 | 80.1 | 11.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 286 | N | 32.6 | Very low | 28.2 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | 49.7 | 119.4 | 153.5 | -57.9 | -23 | 0 | 0 | 0 | 119.9 | ||||
| 287 | N | 28.1 | Very low | 28.3 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | -157.3 | 150 | 125.8 | -95.4 | -35.8 | 0 | 0 | 0 | 109.1 | |||||
| 288 | T | 31.6 | Very low | 28.1 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | cis | -140.6 | 140.3 | -1.4 | 1.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 289 | Q | 27.8 | Very low | 28.2 | Very low | 132 Ų | 132 | 139 Ų | 139 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | cis | 60.9 | 120.7 | 37.8 | -85 | -152.4 | 13.5 | 0 | 0 | 115.7 | ||||
| 290 | T | 28 | Very low | 28.2 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | 84.2 | 167.4 | 127.8 | 63.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 291 | L | 25.7 | Very low | 28.2 | Very low | 134 Ų | 134 | 138 Ų | 138 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | cis | -151.8 | 133 | 3.1 | -125.4 | 145.1 | 0 | 0 | 0 | 112.1 | ||||
| 292 | S | 27.6 | Very low | 27.9 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | trans | 69.1 | 173.8 | 137.8 | 76.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 293 | K | 27.3 | Very low | 28 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | cis | -161.7 | 136 | 19.4 | -146.1 | 162.4 | -168.8 | 175.7 | 0 | 113.6 | ||||
| 294 | K | 28.5 | Very low | 27.6 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | 59.6 | 164.4 | 158.5 | -77.2 | -174.8 | 161.4 | -142.6 | 0 | 117.6 | ||||
| 295 | N | 26.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 57% | 0.572 | 74% | 0.74 | S | S | * | * | cis | -137.1 | -154 | 4.5 | -134.7 | 22.8 | 0 | 0 | 0 | 112.2 | ||||
| 296 | E | 29.2 | Very low | 27.5 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -98.9 | 159.5 | -157.4 | -54.5 | 162.1 | 118.7 | 0 | 0 | 117.3 | ||||
| 297 | L | 27.2 | Very low | 27 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | trans | -168.5 | 171.3 | 130.2 | -109.6 | 170.4 | 0 | 0 | 0 | 113.2 | ||||
| 298 | Q | 24.9 | Very low | 26.8 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -116.4 | 152.4 | -163.1 | -65.8 | -172.4 | 1 | 0 | 0 | 117 | ||||
| 299 | N | 27.5 | Very low | 26.4 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 33.1 | 125.4 | 139.2 | -59.5 | -29.6 | 0 | 0 | 0 | 122.3 | ||||
| 300 | V | 25.9 | Very low | 26.3 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -146.1 | 113.9 | 127.2 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 301 | I | 24.5 | Very low | 26.2 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 26.1 | 108.4 | 133.4 | -51.4 | 177.1 | 0 | 0 | 0 | 116.3 | ||||
| 302 | S | 23 | Very low | 26.2 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 67.7 | 159.3 | 76.8 | -59.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 303 | P | 33.5 | Very low | 26.1 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -134.5 | 178.7 | -28.6 | 36.5 | -18.7 | 0 | 0 | 0 | 114.2 | ||||
| 304 | S | 24.5 | Very low | 26.2 | Very low | 123 Ų | 123 | 146 Ų | 146 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -148.4 | 136.5 | 156.7 | -73.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 305 | I | 28.1 | Very low | 26.1 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | trans | -95 | 131.3 | -174.1 | -64.1 | 171.9 | 0 | 0 | 0 | 110 | ||||
| 306 | I | 26.1 | Very low | 26 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -130.5 | 144 | 168.3 | -69.8 | -178.9 | 0 | 0 | 0 | 108.6 | ||||
| 307 | S | 21.5 | Very low | 25.8 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -70.7 | 136.8 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 308 | Q | 25.1 | Very low | 25.7 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -137.9 | 121.3 | 159.6 | -79 | -167.9 | -27.3 | 0 | 0 | 111 | ||||
| 309 | R | 22.7 | Very low | 25.6 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -87.9 | 136 | 139.8 | -87 | 178.8 | 163.4 | 176 | -6.4 | 107.2 | ||||
| 310 | T | 25.1 | Very low | 25.4 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | -179.6 | 126.5 | 121.6 | 32.8 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 311 | D | 25.1 | Very low | 25.5 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -73.9 | 156.7 | 170.7 | -50.4 | -90 | 0 | 0 | 0 | 111.5 | ||||
| 312 | H | 27.3 | Very low | 25.5 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | 176.4 | 125.4 | 120.7 | -103.5 | -72.7 | 0 | 0 | 0 | 113.1 | N202 | N202-H312 PolarHBondContact ND2-O 2.91Š| |||
| 313 | L | 25 | Very low | 25.5 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 52% | 0.524 | 77% | 0.767 | S | S | . | * | trans | -170.2 | 142.2 | 142.7 | -90 | -161 | 0 | 0 | 0 | 107.7 | Y201 N202 | Y201-L313 WeakPolarHBondContact O-CD1 3.23Å; N202-L313 HydrophobicContact CB-CD1 3.73Å; N202-L313 HydrophobicContact CB-CD2 4.02Å; N202-L313 HydrophobicContact CB-CG 3.77Å | ||
| 314 | N | 29.3 | Very low | 25.1 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | cis | -146.9 | 163.6 | -18.4 | -156.2 | 0.6 | 0 | 0 | 0 | 108.9 | ||||
| 315 | I | 25.4 | Very low | 25.2 | Very low | 134 Ų | 134 | 136 Ų | 136 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | -109.1 | 136 | -173.6 | -71.1 | 175.1 | 0 | 0 | 0 | 112.1 | ||||
| 316 | A | 24.9 | Very low | 24.9 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 63.8 | 160.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 317 | S | 24.9 | Very low | 25.2 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -138.6 | 157 | 7.1 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 318 | F | 24.8 | Very low | 25.2 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | -144 | 140.5 | 58.1 | -113.1 | -107.4 | 0 | 0 | 0 | 115 | |||||
| 319 | L | 23.3 | Very low | 25 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -67.7 | 164.9 | 153.5 | -59 | 154.6 | 0 | 0 | 0 | 108.2 | ||||
| 320 | A | 23.6 | Very low | 25 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -147.2 | 172.5 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 321 | T | 28.9 | Very low | 25 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | -159.6 | 147 | 74.1 | 27.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 322 | S | 24 | Very low | 25 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -62.7 | 163.6 | 164.6 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 323 | C | 23.1 | Very low | 25.1 | Very low | 106 Ų | 106 | 127 Ų | 127 | 72% | 0.716 | 75% | 0.746 | S | S | * | * | cis | -170.6 | 172.3 | 41.3 | -149.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 324 | S | 24.9 | Very low | 25.1 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | 80 | 125.2 | 147.4 | 67.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 325 | N | 26.1 | Very low | 25.5 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 83.5 | 94.6 | 136.5 | -67 | 19.4 | 0 | 0 | 0 | 121.4 | ||||
| 326 | T | 22.8 | Very low | 25.4 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | 51.6 | 138.5 | 119.6 | 52.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 327 | P | 30.8 | Very low | 25.4 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -87.7 | 155.1 | -164.6 | 36 | -37.4 | 0 | 0 | 0 | 114.8 | ||||
| 328 | T | 21.4 | Very low | 25.7 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -154.3 | 130.4 | 131 | -6.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 329 | W | 22.1 | Very low | 25.8 | Very low | 229 Ų | 229 | 128 Ų | 128 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | 46.4 | 128.4 | 151.3 | -60.6 | -19.6 | 0 | 0 | 0 | 123 | ||||
| 330 | S | 22.1 | Very low | 26.1 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | 76.4 | 139.9 | 133.8 | 77.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 331 | T | 25 | Very low | 26.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | cis | -154.4 | 159.7 | -15.4 | 3.9 | 0 | 0 | 0 | 0 | 108.7 | P333 | T331-P333 WeakPolarHBondContact O-CD 3.13Š| ||
| 332 | N | 25.5 | Very low | 26.4 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -55 | 144.4 | 166.2 | -68.5 | -26.2 | 0 | 0 | 0 | 111.3 | I334 | N332-I334 HydrophobicContact CB-CG1 4.04Š| ||
| 333 | P | 28.7 | Very low | 26.7 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | -129 | 82.2 | 122.1 | 36.4 | -29.5 | 0 | 0 | 0 | 112.6 | T331 | T331-P333 WeakPolarHBondContact O-CD 3.13Š| |||
| 334 | I | 25.9 | Very low | 27 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | trans | -82.8 | 170.8 | 135.2 | 18.9 | 171.9 | 0 | 0 | 0 | 107.4 | N332 | N332-I334 HydrophobicContact CB-CG1 4.04Š| ||
| 335 | P | 36.9 | Very low | 27.1 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | cis | -137.4 | -149.9 | 4.5 | 22.8 | 5.7 | 0 | 0 | 0 | 112.7 | ||||
| 336 | I | 24.2 | Very low | 27 | Very low | 139 Ų | 139 | 132 Ų | 132 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 88.1 | 126.1 | 152 | -61.5 | 166.8 | 0 | 0 | 0 | 115.7 | ||||
| 337 | N | 25 | Very low | 27 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | cis | -167 | 168.2 | -20.7 | -107.3 | -12.3 | 0 | 0 | 0 | 107.5 | ||||
| 338 | V | 29.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | -177.3 | 123.7 | 128.2 | 141.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 339 | L | 27 | Very low | 27 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 30.6 | 142.2 | 142.6 | -52.3 | 170.7 | 0 | 0 | 0 | 119.9 | ||||
| 340 | T | 30.4 | Very low | 27.2 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | cis | -159.5 | 149.6 | 18.2 | -9.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 341 | N | 27.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | 38.7 | 144.5 | 128.6 | -62.9 | 6.4 | 0 | 0 | 0 | 120.5 | |||||
| 342 | S | 30.4 | Very low | 27.5 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | cis | -159.5 | -173.7 | 0.4 | 54 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 343 | S | 30.9 | Very low | 28.2 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -162.8 | 167.8 | -0.1 | 21.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 344 | V | 30 | Very low | 28.3 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | cis | -130.1 | 112.8 | 18.7 | 177.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 345 | A | 27 | Very low | 28.5 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 74.2 | 135.3 | 74 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 346 | R | 23.6 | Very low | 28.2 | Very low | 230 Ų | 230 | 130.2 Ų | 130.2 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | -143 | 147.3 | -170.4 | -107.7 | -170.4 | 179.5 | -168.8 | 1.7 | 109.6 | ||||
| 347 | L | 23.3 | Very low | 28.5 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | 64.4 | 167.7 | 152.5 | -94.1 | 66.9 | 0 | 0 | 0 | 119.1 | ||||
| 348 | C | 24.7 | Very low | 28.7 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | trans | -110.7 | 148.3 | -165 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 349 | D | 26.1 | Very low | 28.8 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 45.3 | 133.7 | 132.1 | -43.3 | -22 | 0 | 0 | 0 | 121.6 | ||||
| 350 | L | 26.9 | Very low | 28.9 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | -176.8 | 137.9 | 96.3 | -92.7 | 164 | 0 | 0 | 0 | 114.7 | |||||
| 351 | T | 27.9 | Very low | 29 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | trans | 74.3 | 126.1 | 150.4 | 48.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 352 | D | 25.4 | Very low | 29.1 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -95.9 | -144.2 | 171.3 | -42.5 | -90.3 | 0 | 0 | 0 | 110.7 | ||||
| 353 | P | 41 | Very low | 29 | Very low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | cis | -142.7 | 155.1 | -4.2 | 31.3 | -6.1 | 0 | 0 | 0 | 120.7 | ||||
| 354 | T | 30.2 | Very low | 28.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | 60.7 | 157.2 | 133.9 | 67.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 355 | D | 29.9 | Very low | 28.6 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | cis | -168.5 | 176.8 | -19.2 | -103.8 | -10.8 | 0 | 0 | 0 | 114.5 | ||||
| 356 | A | 31 | Very low | 28.5 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | 95.4 | 143.8 | 140 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 357 | F | 29.6 | Very low | 28.5 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | cis | -169.1 | 175.8 | -28.5 | -128.8 | -79.9 | 0 | 0 | 0 | 111.1 | ||||
| 358 | N | 30.5 | Very low | 28.7 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | 84.7 | 145.2 | 154.1 | -73.9 | -23.8 | 0 | 0 | 0 | 120.6 | ||||
| 359 | S | 31.2 | Very low | 28.7 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 56% | 0.559 | 71% | 0.713 | S | S | * | * | cis | -171.5 | 171.5 | -10.8 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 360 | N | 29 | Very low | 28.9 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | 90 | 141.5 | 153.4 | -60.2 | -36.4 | 0 | 0 | 0 | 119.2 | ||||
| 361 | K | 32.7 | Very low | 29 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | cis | -165.3 | 144.2 | -4.5 | -120.2 | 170.9 | 173.3 | -168.7 | 0 | 114.4 | ||||
| 362 | Q | 30.4 | Very low | 29 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | trans | 59 | 151.5 | 137.4 | -75.6 | 169.9 | -36.5 | 0 | 0 | 121.7 | ||||
| 363 | S | 27.1 | Very low | 29.2 | Very low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | cis | -179.2 | 170 | -17.2 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 364 | L | 27.4 | Very low | 28.6 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | 82.6 | 143.9 | 159.1 | -58.2 | 177.7 | 0 | 0 | 0 | 118.2 | ||||
| 365 | T | 25.8 | Very low | 28.5 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 63% | 0.632 | 69% | 0.688 | S | S | * | * | cis | 178.1 | 140.4 | -37.9 | 26.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 366 | L | 25.1 | Very low | 28.4 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | 63.3 | 156.6 | 153.8 | -88.2 | 54.8 | 0 | 0 | 0 | 117.2 | ||||
| 367 | D | 24.1 | Very low | 28.4 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | cis | -157.2 | 179.1 | 2.8 | -136.7 | -28 | 0 | 0 | 0 | 113.6 | ||||
| 368 | N | 26.5 | Very low | 28.3 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | 75.4 | 145.4 | 154.8 | -63.7 | -25.1 | 0 | 0 | 0 | 119.8 | ||||
| 369 | Y | 25.1 | Very low | 28.1 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | cis | -166.6 | 174.3 | -9.1 | -130.2 | -145.4 | 0 | 0 | 0 | 110.4 | ||||
| 370 | I | 30.3 | Very low | 28 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 71% | 0.708 | 70% | 0.695 | S | S | * | * | trans | 68.1 | 128.5 | 155.3 | -72.9 | 160.6 | 0 | 0 | 0 | 116.7 | ||||
| 371 | N | 28.2 | Very low | 27.8 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | cis | -149.4 | 153.2 | -3.3 | -92.4 | -4 | 0 | 0 | 0 | 107.2 | ||||
| 372 | N | 28.4 | Very low | 27.3 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 60% | 0.604 | 70% | 0.697 | S | S | * | * | 67.3 | 133.8 | 54 | -71.8 | 61.3 | 0 | 0 | 0 | 112.9 | |||||
| 373 | D | 29.4 | Very low | 26.9 | Very low | 101 Ų | 101 | 132 Ų | 132 | 54% | 0.54 | 70% | 0.699 | S | S | . | * | cis | -159.7 | -175.9 | 5.7 | -100.1 | -27.8 | 0 | 0 | 0 | 113.2 | S584 | D373-S584 PolarHBondContact O-OG 3.26Š| ||
| 374 | L | 29.2 | Very low | 26.7 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | 78.2 | 119.2 | 176.6 | -83.4 | 58.2 | 0 | 0 | 0 | 115.6 | ||||
| 375 | D | 27.1 | Very low | 26.7 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | 85 | 144 | 59.6 | -67.6 | -41.8 | 0 | 0 | 0 | 112.5 | |||||
| 376 | E | 28.7 | Very low | 26.6 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | cis | -148 | -178.6 | 16.4 | -149.4 | -179.8 | 179.6 | 0 | 0 | 112.1 | ||||
| 377 | L | 29.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 68.4 | 77.3 | 167.6 | -70.1 | 166.9 | 0 | 0 | 0 | 118.6 | ||||
| 378 | T | 28.7 | Very low | 26.8 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | 15.4 | 131.8 | 125.7 | 54.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 379 | Q | 26.6 | Very low | 26.8 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | 57.5 | 146.3 | 63.2 | -54.7 | 176.3 | 12.3 | 0 | 0 | 112.2 | |||||
| 380 | L | 28 | Very low | 26.9 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | cis | -147.9 | 164.8 | 35.2 | -75.1 | 162.8 | 0 | 0 | 0 | 109.4 | ||||
| 381 | Q | 26 | Very low | 26.9 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | cis | -166.3 | 143.5 | -24.2 | -175 | 84.2 | -21.4 | 0 | 0 | 105.5 | ||||
| 382 | S | 21.1 | Very low | 26.8 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | trans | -98.9 | 165.2 | 170.5 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 383 | V | 23.1 | Very low | 26.7 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 75.1 | 125.9 | 164.2 | -172.7 | 0 | 0 | 0 | 0 | 117.7 | ||
| 384 | Y | 21.9 | Very low | 26.6 | Very low | 219 Ų | 219 | 139.9 Ų | 139.9 | 86% | 0.859 | 71% | 0.713 | S | S | * | * | trans | -9.1 | 131.1 | 151.7 | -82.1 | -105.9 | 0 | 0 | 0 | 118.3 | ||||
| 385 | S | 27.2 | Very low | 26.5 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -112.2 | 124.7 | 148.2 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 386 | Q | 23.8 | Very low | 26.5 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -63 | 163.7 | 148.2 | -58.3 | 173.7 | 6.9 | 0 | 0 | 107.2 | ||||
| 387 | I | 27.1 | Very low | 26.3 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | -169.1 | 154.8 | 63 | -76.6 | -178.5 | 0 | 0 | 0 | 107.5 | |||||
| 388 | T | 26.8 | Very low | 26.1 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | trans | 56.3 | 112.5 | 169.9 | 47.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 389 | H | 26 | Very low | 26.1 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | 58.7 | 134.1 | 77 | -73.6 | -1.8 | 0 | 0 | 0 | 114.3 | |||||
| 390 | K | 28.2 | Very low | 26.6 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | cis | -172.3 | 149.7 | 7.3 | -115.9 | 165.1 | 170.3 | 154 | 0 | 109.5 | ||||
| 391 | Q | 28.5 | Very low | 26.5 | Very low | 128 Ų | 128 | 142 Ų | 142 | 60% | 0.598 | 71% | 0.713 | S | S | * | * | trans | 74.1 | 149.9 | 138.9 | -72.3 | -172.1 | 73.3 | 0 | 0 | 118.2 | ||||
| 392 | K | 27.2 | Very low | 26.6 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | cis | 155 | 168.7 | -4.4 | -105.5 | -175.3 | -154.7 | 155.6 | 0 | 103.5 | ||||
| 393 | S | 26.7 | Very low | 27 | Very low | 74 Ų | 74 | 138 Ų | 138 | 52% | 0.517 | 69% | 0.694 | S | S | . | * | cis | 169.8 | 173.4 | -21.2 | 60 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 394 | K | 27.3 | Very low | 27.4 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | trans | 75 | 157.8 | 160.8 | -60 | 164 | 179.1 | -172.7 | 0 | 116.5 | ||||
| 395 | Q | 27.2 | Very low | 27.6 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | cis | -164.3 | 162.2 | -21 | -102.4 | 176.9 | -72.9 | 0 | 0 | 106.6 | Y397 | Q395-Y397 HydrophobicContact CG-CD2 4.08Š| ||
| 396 | K | 26.8 | Very low | 27.6 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | cis | -126.9 | 176.5 | 28.1 | -39.1 | 92.2 | 172.5 | -178.9 | 0 | 109.9 | ||||
| 397 | Y | 23.7 | Very low | 27.9 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | cis | 83.6 | 105.1 | 15 | -77 | -79 | 0 | 0 | 0 | 119.7 | Q395 L399 | Q395-Y397 HydrophobicContact CG-CD2 4.08Å; Y397-L399 HydrophobicContact CD1-CD1 4.2Å | ||
| 398 | N | 26.7 | Very low | 28.4 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | 164.4 | 116.3 | 129.3 | -78.6 | -3.1 | 0 | 0 | 0 | 108.7 | |||||
| 399 | L | 27.4 | Very low | 28.7 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | 87.2 | 150.9 | 61 | -92.6 | 78.1 | 0 | 0 | 0 | 114.2 | Y397 | Y397-L399 HydrophobicContact CD1-CD1 4.2Š| |||
| 400 | P | 38.9 | Very low | 28.7 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 67% | 0.665 | S | S | * | * | cis | -147.2 | -170.8 | -40.9 | 42.2 | -22.6 | 0 | 0 | 0 | 116.9 | ||||
| 401 | N | 25.6 | Very low | 28.6 | Very low | 152 Ų | 152 | 117.4 Ų | 117.4 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | trans | 100 | 144.5 | 153 | -80.1 | 15.1 | 0 | 0 | 0 | 126.3 | ||||
| 402 | S | 28.2 | Very low | 28.5 | Very low | 57 Ų | 57 | 112.8 Ų | 112.8 | 40% | 0.399 | 64% | 0.643 | S | S | . | * | trans | 76.2 | 151.4 | 162.6 | 68.5 | 0 | 0 | 0 | 0 | 121.6 | D413 | S402-D413 WeakPolarHBondContact CB-OD1 3.22Š| ||
| 403 | N | 29.7 | Very low | 28.5 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 57% | 0.572 | 64% | 0.639 | S | S | * | * | trans | -108.6 | -63.2 | -132.2 | -62.4 | -2.1 | 0 | 0 | 0 | 122 | A411 | N403-A411 VanDerWaalsContact C-C 3.45Å; N403-A411 VanDerWaalsContact C-CA 3.45Å; N403-A411 VanDerWaalsContact O-CA 3.32Å; N403-A411 WeakPolarHBondContact O-CA 3.38Å; N403-A411 PolarHBondContact O-N 3Å | ||
| 404 | S | 29.7 | Very low | 28.9 | Very low | 71 Ų | 71 | 113.3 Ų | 113.3 | 50% | 0.497 | 65% | 0.648 | S | S | . | * | trans | -91.6 | -101.3 | -152 | 80.6 | 0 | 0 | 0 | 0 | 121 | S410 A411 G412 D413 | S404-S410 CarbonylContact O-C 3.57Å; S404-A411 CarbonylContact C-O 3.58Å; S404-A411 VanDerWaalsContact C-O 3.26Å; S404-A411 PolarHBondContact O-N 2.89Å; S404-A411 VanDerWaalsContact O-N 3.07Å; S404-G412 WeakPolarHBondContact CB-O 3.48Å; S404-G412 PolarHBondContact N-O 3.11Å; S404-G412 PolarHBondContact OG-O 3.35Å; S404-D413 PolarHBondContact OG-O 2.92Å | ||
| 405 | A | 27.3 | Very low | 29 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | trans | -106.3 | 136.4 | -139.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | A411 | A405-A411 PolarHBondContact N-O 3.43Š| ||
| 406 | A | 26.1 | Very low | 29.1 | Very low | 78 Ų | 78 | 115.6 Ų | 115.6 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | trans | 11.5 | 124.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 407 | S | 29.9 | Very low | 29.1 | Very low | 103 Ų | 103 | 116 Ų | 116 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -156.1 | 154 | 18.7 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 408 | S | 38 | Very low | 29.2 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | S | Bend | cis | -132.5 | 101.2 | 20 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 409 | L | 33.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 112.5 Ų | 112.5 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | S | Bend | cis | -138.2 | 69.6 | -2.7 | -71.8 | 165.7 | 0 | 0 | 0 | 108.9 | ||
| 410 | S | 26.7 | Very low | 29 | Very low | 93 Ų | 93 | 111.3 Ų | 111.3 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | trans | -165.9 | 156.3 | -167.7 | -172.7 | 0 | 0 | 0 | 0 | 114.2 | S404 | S404-S410 CarbonylContact O-C 3.57Š| ||
| 411 | A | 25.3 | Very low | 28.3 | Very low | 49 Ų | 49 | 109.7 Ų | 109.7 | 41% | 0.405 | 67% | 0.667 | S | S | . | * | trans | 82.5 | 153.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | N403 S404 A405 | N403-A411 VanDerWaalsContact C-C 3.45Å; N403-A411 VanDerWaalsContact C-CA 3.45Å; N403-A411 VanDerWaalsContact O-CA 3.32Å; N403-A411 WeakPolarHBondContact O-CA 3.38Å; N403-A411 PolarHBondContact O-N 3Å; S404-A411 CarbonylContact C-O 3.58Å; S404-A411 VanDerWaalsContact C-O 3.26Å; S404-A411 PolarHBondContact O-N 2.89Å; S404-A411 VanDerWaalsContact O-N 3.07Å; A405-A411 PolarHBondContact N-O 3.43Å | ||
| 412 | G | 26.6 | Very low | 28.3 | Very low | 32 Ų | 32 | 111.1 Ų | 111.1 | 33% | 0.33 | 67% | 0.673 | S | S | . | * | trans | 109.2 | 88.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | S404 | S404-G412 WeakPolarHBondContact CB-O 3.48Å; S404-G412 PolarHBondContact N-O 3.11Å; S404-G412 PolarHBondContact OG-O 3.35Å | ||
| 413 | D | 26.8 | Very low | 28.1 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | trans | 41.5 | 159.3 | 161.2 | -62.5 | -64.2 | 0 | 0 | 0 | 126.7 | S402 S404 | S402-D413 WeakPolarHBondContact CB-OD1 3.22Å; S404-D413 PolarHBondContact OG-O 2.92Å | ||
| 414 | D | 34.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 113.3 Ų | 113.3 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -159.4 | 126.9 | 172.4 | 169.6 | 26.2 | 0 | 0 | 0 | 109.4 | ||||
| 415 | R | 29.7 | Very low | 27.8 | Very low | 227 Ų | 227 | 115.3 Ų | 115.3 | 86% | 0.857 | 71% | 0.711 | S | S | * | * | trans | -158.5 | 114.5 | 175.1 | -90.1 | -156.2 | 179.6 | 178.1 | 0.4 | 116.7 | ||||
| 416 | T | 29.1 | Very low | 27.9 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | trans | 59.7 | 113.9 | 133.9 | 59.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 417 | F | 27.7 | Very low | 28 | Very low | 197 Ų | 197 | 121.3 Ų | 121.3 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | 45.4 | 116.7 | 129.2 | -81.8 | -96.1 | 0 | 0 | 0 | 120.7 | |||||
| 418 | C | 24.6 | Very low | 27.9 | Very low | 107 Ų | 107 | 120 Ų | 120 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | -172.2 | 168.9 | 97.6 | -100.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 419 | D | 26.6 | Very low | 27.5 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | 55.9 | 126.7 | 170.2 | -57.2 | -34.9 | 0 | 0 | 0 | 120.5 | ||||
| 420 | S | 23.8 | Very low | 27.3 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | cis | 87.4 | 47.2 | 31.3 | -51.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 421 | G | 23.7 | Very low | 27.4 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | 84.1 | 141.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 422 | I | 27.3 | Very low | 27.6 | Very low | 182 Ų | 182 | 123.4 Ų | 123.4 | 93% | 0.933 | 72% | 0.721 | S | S | * | * | trans | -154.9 | 158.6 | 135.2 | -97.4 | 149.4 | 0 | 0 | 0 | 106.5 | ||||
| 423 | S | 23.4 | Very low | 27.7 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -99 | 152.5 | -158.3 | 54.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 424 | S | 24.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 64.6 | 108.7 | 140.8 | 60.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 425 | S | 27.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -170.4 | 150 | 164 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 426 | S | 29.8 | Very low | 27.5 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | cis | -164.7 | 169.1 | -13.2 | -83.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 427 | Y | 27.4 | Very low | 27.3 | Very low | 160 Ų | 160 | 122.7 Ų | 122.7 | 63% | 0.627 | 76% | 0.76 | S | S | * | * | trans | -91.2 | 178.6 | 174.6 | -101.4 | -69.5 | 0 | 0 | 0 | 114.1 | A441 Y442 | Y427-A441 WeakPolarHBondContact CD1-O 3.42Å; Y427-A441 HydrophobicContact CE1-CB 4.4Å; Y427-A441 WeakPolarHBondContact CE1-O 2.99Å; Y427-A441 WeakPolarHBondContact CE2-O 3.41Å; Y427-Y442 HydrophobicContact CE2-CD2 4.09Å | ||
| 428 | S | 29.4 | Very low | 27.2 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 52% | 0.517 | 76% | 0.755 | S | S | . | * | trans | -102 | 163.7 | -142 | -40.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 429 | K | 29.1 | Very low | 27.6 | Very low | 130 Ų | 130 | 119.6 Ų | 119.6 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | trans | 66.1 | 123.4 | 148.1 | -73.4 | 166.9 | -173.2 | 172 | 0 | 120.1 | P439 N440 | K429-P439 PolarHBondContact NZ-O 2.88Å; K429-N440 PolarHBondContact NZ-OD1 2.71Å | ||
| 430 | D | 29.8 | Very low | 27.7 | Very low | 154 Ų | 154 | 118.6 Ų | 118.6 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | -149.9 | -176.5 | 100.4 | -142 | -36.8 | 0 | 0 | 0 | 111.5 | |||||
| 431 | S | 28.7 | Very low | 28 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -97.4 | 126 | -144.4 | 41.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 432 | A | 29.5 | Very low | 28.3 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -159.4 | 157.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 433 | C | 29.2 | Very low | 28.4 | Very low | 119 Ų | 119 | 119 Ų | 119 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 63.6 | 95.2 | 172.8 | -60.2 | 0 | 0 | 0 | 0 | 118 | ||
| 434 | T | 28.7 | Very low | 28.9 | Very low | 132 Ų | 132 | 119 Ų | 119 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | 48.4 | 83.7 | 145 | 54.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 435 | S | 25.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | 28.9 | 141 | 134.2 | 59.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 436 | P | 30.6 | Very low | 29.3 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | cis | -115.6 | -166.8 | 16.3 | 40.6 | -29.3 | 0 | 0 | 0 | 114.3 | ||||
| 437 | S | 26.3 | Very low | 29.2 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -139 | 134.3 | -153.6 | -51.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 438 | D | 25.4 | Very low | 29.2 | Very low | 143 Ų | 143 | 119.6 Ų | 119.6 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -172.7 | 180 | 148.7 | -116.7 | -21.4 | 0 | 0 | 0 | 110.4 | ||||
| 439 | P | 32.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 62% | 0.617 | 72% | 0.715 | S | S | * | * | -107.4 | -148.3 | -57.5 | 36.4 | -23.1 | 0 | 0 | 0 | 111.3 | K429 | K429-P439 PolarHBondContact NZ-O 2.88Š| |||
| 440 | N | 30 | Very low | 29.3 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | -138.6 | 162.9 | -169.7 | -69.3 | -11.8 | 0 | 0 | 0 | 114.3 | K429 | K429-N440 PolarHBondContact NZ-OD1 2.71Š| ||
| 441 | A | 28.7 | Very low | 29.1 | Very low | 45 Ų | 45 | 116.7 Ų | 116.7 | 37% | 0.372 | 72% | 0.715 | S | S | . | * | trans | 176 | 120.6 | 136.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y427 | Y427-A441 WeakPolarHBondContact CD1-O 3.42Å; Y427-A441 HydrophobicContact CE1-CB 4.4Å; Y427-A441 WeakPolarHBondContact CE1-O 2.99Å; Y427-A441 WeakPolarHBondContact CE2-O 3.41Å | ||
| 442 | Y | 29.8 | Very low | 29 | Very low | 189 Ų | 189 | 118.2 Ų | 118.2 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | 169.2 | 166.6 | 129.1 | -104.2 | -78.8 | 0 | 0 | 0 | 112.8 | Y427 | Y427-Y442 HydrophobicContact CE2-CD2 4.09Š| |||
| 443 | N | 30.3 | Very low | 28.9 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -105.3 | -178.5 | -162.4 | -75.3 | -34.7 | 0 | 0 | 0 | 113.2 | ||||
| 444 | P | 34.6 | Very low | 28.9 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | cis | -141.7 | 177 | -42.8 | 39 | -21.9 | 0 | 0 | 0 | 115.8 | ||||
| 445 | I | 28.5 | Very low | 28.9 | Very low | 155 Ų | 155 | 121.8 Ų | 121.8 | 80% | 0.795 | 70% | 0.698 | S | S | * | * | trans | 70 | 141.2 | 143.6 | -82 | 162.1 | 0 | 0 | 0 | 119.9 | ||||
| 446 | P | 31.9 | Very low | 29 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | cis | -144.2 | 158.9 | -25.9 | 43.3 | -25.1 | 0 | 0 | 0 | 117.9 | ||||
| 447 | S | 26.5 | Very low | 28.8 | Very low | 95 Ų | 95 | 121.6 Ų | 121.6 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | trans | 58.6 | 145 | 134 | 71.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 448 | L | 27.2 | Very low | 28.8 | Very low | 164 Ų | 164 | 125 Ų | 125 | 86% | 0.859 | 70% | 0.695 | S | S | * | * | trans | 75.3 | 127.8 | 152.1 | -69.2 | 152 | 0 | 0 | 0 | 118.8 | ||||
| 449 | G | 30.5 | Very low | 28.7 | Very low | 56 Ų | 56 | 125.5 Ų | 125.5 | 58% | 0.577 | 70% | 0.696 | S | S | * | * | cis | 159.5 | -177.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 450 | T | 30.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | 70.9 | 145.2 | 158.1 | 66.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 451 | N | 26.9 | Very low | 28.6 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | cis | -166.5 | 173.2 | -6.4 | -116.3 | 11.2 | 0 | 0 | 0 | 113.9 | ||||
| 452 | E | 26.6 | Very low | 28.7 | Very low | 139 Ų | 139 | 130 Ų | 130 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | trans | 73.1 | 152 | 144.6 | -77 | 160.9 | -120.6 | 0 | 0 | 119.1 | ||||
| 453 | W | 27.9 | Very low | 28.7 | Very low | 215 Ų | 215 | 128.1 Ų | 128.1 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | cis | -159.7 | 155.1 | 27.2 | -120.6 | 0.8 | 0 | 0 | 0 | 114.5 | ||||
| 454 | V | 28.9 | Very low | 28.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 71% | 0.709 | 72% | 0.715 | S | S | * | * | trans | 65.1 | 144.7 | 135.3 | 168.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 455 | S | 28 | Very low | 28.3 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | cis | -175.4 | 172.3 | -19 | -88.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 456 | T | 27.5 | Very low | 28.3 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | 76.2 | 134.4 | 144.5 | 36.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 457 | C | 26.2 | Very low | 28 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | trans | 68 | 115.6 | 145.8 | -65.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 458 | K | 26.4 | Very low | 27.9 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | 72 | 117.7 | 85.1 | -75.6 | -174.6 | 175.4 | -178.3 | 0 | 114.7 | |||||
| 459 | I | 24 | Very low | 27.8 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | 73 | 130.2 | 64.5 | -69.1 | 170.7 | 0 | 0 | 0 | 110.9 | |||||
| 460 | P | 34.8 | Very low | 27.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | cis | -142.6 | -176.3 | 42.9 | 37.4 | -15.2 | 0 | 0 | 0 | 120 | ||||
| 461 | C | 25.7 | Very low | 27.1 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | trans | -49.8 | 160.3 | 175.7 | -42.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 462 | D | 29.6 | Very low | 27 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | -174.9 | 148.2 | 120.1 | -97.6 | 2.4 | 0 | 0 | 0 | 107.5 | |||||
| 463 | K | 31.2 | Very low | 27 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | cis | -167.1 | 158.3 | -6.9 | -110.9 | 178.6 | -180 | 70.2 | 0 | 105.6 | ||||
| 464 | E | 27.3 | Very low | 26.9 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | cis | -166.8 | 178.2 | -6.7 | -133.5 | 176.6 | -117.3 | 0 | 0 | 106 | ||||
| 465 | S | 29.1 | Very low | 26.8 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | cis | -146.9 | -107 | 3.9 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 466 | I | 27.6 | Very low | 26.7 | Very low | 143 Ų | 143 | 139 Ų | 139 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | -153.9 | 138.3 | -139 | -76.5 | 168.3 | 0 | 0 | 0 | 110.2 | ||||
| 467 | F | 26.9 | Very low | 26.8 | Very low | 178 Ų | 178 | 141 Ų | 141 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | cis | -143.7 | -116 | -10.2 | -139.2 | -143.5 | 0 | 0 | 0 | 109.9 | ||||
| 468 | D | 24.1 | Very low | 26.9 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | cis | -158.7 | -157.4 | -6.9 | -149.3 | -33.7 | 0 | 0 | 0 | 111.2 | ||||
| 469 | S | 25.4 | Very low | 27.3 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | trans | -116.1 | 170.8 | -153.4 | -49.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 470 | N | 21.9 | Very low | 27.6 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | 5.6 | 131.4 | 157.5 | -73.7 | -36.3 | 0 | 0 | 0 | 122.3 | ||||
| 471 | S | 23.8 | Very low | 27.3 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | 87.4 | 133.4 | 137.3 | 81.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 472 | H | 24.3 | Very low | 27.4 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | 61.2 | 144.8 | 155.3 | -70.2 | -62.8 | 0 | 0 | 0 | 122.9 | ||||
| 473 | Q | 26.4 | Very low | 27.4 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | 57.9 | 111.4 | 162.2 | -62.7 | 177.5 | 13 | 0 | 0 | 117.8 | ||||
| 474 | K | 25.7 | Very low | 27.1 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | 75.1 | 98.1 | 73.9 | -86.6 | -163.1 | 173 | -175.5 | 0 | 117.1 | |||||
| 475 | Q | 27 | Very low | 27.1 | Very low | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | 79.2 | 125.2 | 129.2 | -68 | -171.7 | -71.5 | 0 | 0 | 122.5 | |||||
| 476 | N | 26.2 | Very low | 26.9 | Very low | 119 Ų | 119 | 140 Ų | 140 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 78.3 | 148.4 | 138 | -64 | -8.7 | 0 | 0 | 0 | 118.4 | ||||
| 477 | Q | 29.3 | Very low | 26.7 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | cis | -157.9 | 149.6 | 0.9 | -131.3 | 171.1 | 74.4 | 0 | 0 | 114.4 | ||||
| 478 | G | 28.4 | Very low | 27 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | trans | 94.8 | 150.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 479 | I | 35.1 | Very low | 27 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | cis | -167.6 | 155.2 | -15.6 | -120.1 | 149.4 | 0 | 0 | 0 | 106.4 | ||||
| 480 | P | 31.1 | Very low | 27 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | S | Bend | cis | -117.2 | 145.4 | 20.2 | 12.6 | 11.6 | 0 | 0 | 0 | 116.7 | ||
| 481 | L | 27.8 | Very low | 27.1 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | 49.3 | 125.8 | 134 | -52.4 | 171 | 0 | 0 | 0 | 121.2 | ||||
| 482 | S | 28.3 | Very low | 27.4 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | cis | -170.7 | 128.7 | -15.1 | 44.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 483 | K | 28.5 | Very low | 27.5 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | trans | 68.1 | 127.6 | 140.4 | -65.4 | 170.3 | -175.7 | 173.9 | 0 | 117.7 | ||||
| 484 | S | 25.7 | Very low | 27.7 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | 72.1 | 132.8 | 58.4 | -163.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 485 | S | 25.8 | Very low | 27.9 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | cis | 175.6 | 179 | -1 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 486 | R | 24.9 | Very low | 28 | Very low | 217 Ų | 217 | 135.6 Ų | 135.6 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | trans | 68.7 | 128.6 | 142.9 | -89.1 | -176.8 | 168.6 | -176.8 | -2.1 | 120.2 | ||||
| 487 | I | 24.1 | Very low | 28.1 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | 68.4 | 144.1 | 128.2 | -64.9 | 175.7 | 0 | 0 | 0 | 117.6 | |||||
| 488 | P | 34 | Very low | 28.3 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -94.8 | 168.2 | -167.7 | 37.5 | -37.4 | 0 | 0 | 0 | 115.4 | ||||
| 489 | S | 22.8 | Very low | 28.5 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 99.1 | 110.3 | 155.9 | -48.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 490 | I | 25 | Very low | 28.4 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | trans | 76.3 | 84.8 | 132.5 | -54.9 | 169.9 | 0 | 0 | 0 | 119.7 | ||||
| 491 | S | 25.4 | Very low | 28.5 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | 87.1 | 144.6 | 121.4 | 85.9 | 0 | 0 | 0 | 0 | 125 | |||||
| 492 | K | 29.1 | Very low | 28.5 | Very low | 181 Ų | 181 | 137 Ų | 137 | 79% | 0.787 | 73% | 0.731 | S | S | * | * | trans | 95.3 | 115.3 | 137.3 | -87.6 | 177.1 | 178.7 | 178.8 | 0 | 123.8 | ||||
| 493 | L | 27.5 | Very low | 28.6 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | 117.9 | 133.4 | 123.2 | -77 | 162.4 | 0 | 0 | 0 | 121.9 | |||||
| 494 | T | 30.4 | Very low | 28.5 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | 67 | 139.5 | 150 | 42.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 495 | D | 29.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | cis | -163.8 | 157.6 | -11 | -153.5 | 4.8 | 0 | 0 | 0 | 114.2 | ||||
| 496 | R | 28.1 | Very low | 28.9 | Very low | 222 Ų | 222 | 141.6 Ų | 141.6 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 59.8 | 151.4 | 161 | -69.6 | 169 | -169 | -141.8 | -4.4 | 122 | ||||
| 497 | S | 30.1 | Very low | 29.1 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | cis | -173.9 | 154.4 | -16.8 | 60.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 498 | K | 31.6 | Very low | 29.3 | Very low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 96.2 | 116.1 | 150.7 | -73.2 | -176.1 | 171.2 | -175.5 | 0 | 125.3 | ||||
| 499 | I | 33.2 | Very low | 29 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | 91.4 | 115.4 | 124.9 | -65.8 | 173.9 | 0 | 0 | 0 | 124.8 | |||||
| 500 | N | 34 | Very low | 29.5 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 62.9 | 131.5 | 139.7 | -65.5 | 16.4 | 0 | 0 | 0 | 129.7 | ||||
| 501 | N | 32.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | 93.7 | 115.5 | 129.6 | -76.6 | 18.8 | 0 | 0 | 0 | 127.2 | |||||
| 502 | S | 28.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | 91.7 | 129.2 | 119 | 67.3 | 0 | 0 | 0 | 0 | 126.9 | |||||
| 503 | T | 29.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | 84.5 | 105.1 | 138.5 | 33.3 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 504 | E | 27.4 | Very low | 29.4 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | 97.6 | 151.6 | 110 | -122.7 | 173 | -143.5 | 0 | 0 | 126.5 | |||||
| 505 | M | 29.2 | Very low | 29.3 | Very low | 133 Ų | 133 | 134 Ų | 134 | 66% | 0.655 | 74% | 0.736 | S | S | * | * | trans | 91.8 | 108.8 | 155.9 | -69 | -73.7 | 104.2 | 0 | 0 | 123.9 | ||||
| 506 | I | 31.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | 65.1 | 140.6 | 139.6 | -60 | 167.9 | 0 | 0 | 0 | 119.8 | ||||
| 507 | G | 27.5 | Very low | 29.2 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | 161 | 7.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 508 | S | 29.5 | Very low | 29.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 42.5 | 126.1 | 164.3 | 59.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 509 | Q | 26.4 | Very low | 29.1 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | trans | 74.5 | 155.8 | 155.4 | -71.5 | -83.4 | -47.3 | 0 | 0 | 117.6 | ||||
| 510 | P | 33.5 | Very low | 28.7 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -130.6 | 165 | -133.8 | 43.5 | -31.1 | 0 | 0 | 0 | 117 | ||||
| 511 | A | 23.9 | Very low | 28.3 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | 165.8 | 169.6 | 105.3 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 512 | F | 27.2 | Very low | 28 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | trans | 59 | 82.8 | 157.6 | -69.3 | -68.9 | 0 | 0 | 0 | 123 | ||||
| 513 | S | 24.7 | Very low | 28 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | 82.4 | 156.4 | 107.9 | 77 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 514 | T | 29.5 | Very low | 27.7 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | 70.2 | 142.4 | 164 | 65.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 515 | I | 29.3 | Very low | 27.7 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | cis | -146 | 156 | -9 | -122.9 | 162.2 | 0 | 0 | 0 | 113.3 | ||||
| 516 | Q | 27.5 | Very low | 27.5 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 75% | 0.748 | S | S | * | * | trans | -26.1 | 141 | 171.7 | -52.4 | 169.4 | -1 | 0 | 0 | 118.8 | ||||
| 517 | R | 28.2 | Very low | 27.1 | Very low | 233 Ų | 233 | 136 Ų | 136 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | -165 | 155.6 | 88.9 | -105.1 | -177.1 | 171.2 | 111.8 | -0.9 | 113.1 | |||||
| 518 | T | 29.6 | Very low | 27 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -113.4 | 163 | -173 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 519 | Q | 28.5 | Very low | 26.9 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | trans | 123.8 | 130.4 | 154.5 | -66.2 | -155.3 | 49.4 | 0 | 0 | 113.6 | ||||
| 520 | R | 26.1 | Very low | 26.7 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | -167.4 | 140.9 | -9.1 | -127 | -173.6 | 176.3 | 149.7 | -17.1 | 110.4 | ||||
| 521 | L | 25.8 | Very low | 26.2 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 63.2 | 162.3 | 152.9 | -63.3 | 165.5 | 0 | 0 | 0 | 115.6 | ||||
| 522 | K | 25.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 74% | 0.735 | 73% | 0.733 | S | S | * | * | cis | -151 | -179.9 | 12.3 | -146.1 | 160.3 | -173 | -178.1 | 0 | 110.5 | ||||
| 523 | T | 27.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | trans | 65.7 | 114.9 | 163.7 | 37.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 524 | V | 24.3 | Very low | 26.7 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | 64.9 | 113.9 | 78.6 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | K526 | V524-K526 HydrophobicContact CG1-CG 4.41Š| |||
| 525 | G | 26.6 | Very low | 26.5 | Very low | 67 Ų | 67 | 135.6 Ų | 135.6 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | cis | 87 | -170.7 | 10.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 526 | K | 24.5 | Very low | 26.5 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 81% | 0.809 | 73% | 0.725 | S | S | * | * | trans | 66 | 156.2 | -168.7 | -65.3 | -175.6 | 168.9 | -173.2 | 0 | 115.2 | V524 | V524-K526 HydrophobicContact CG1-CG 4.41Š| ||
| 527 | S | 23.3 | Very low | 26.2 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | 49.2 | 133.4 | 148.8 | 54.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 528 | T | 26.4 | Very low | 26.1 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | cis | -125.3 | 157.5 | 24.3 | 47 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 529 | S | 25.6 | Very low | 26 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | cis | 72 | 44.2 | 17.3 | 90.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 530 | Q | 23.6 | Very low | 25.8 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | -156 | 111.4 | 157.2 | -100.7 | 162.9 | -9.2 | 0 | 0 | 106.1 | ||||
| 531 | S | 23.1 | Very low | 25.7 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 57% | 0.573 | 71% | 0.714 | S | S | * | * | 84.6 | 79.7 | 71.6 | 76.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 532 | G | 31.4 | Very low | 25.6 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 72% | 0.715 | S | S | * | * | -74 | 127 | 111.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 533 | K | 26.9 | Very low | 25.5 | Very low | 156 Ų | 156 | 121.2 Ų | 121.2 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | cis | 60.9 | 125.2 | 42.8 | -57.9 | 168.7 | 136.4 | -81.6 | 0 | 110.5 | ||||
| 534 | E | 26.8 | Very low | 25.4 | Very low | 135 Ų | 135 | 121.9 Ų | 121.9 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | cis | -136.9 | 150 | 3.9 | -122.2 | 103.9 | -132.8 | 0 | 0 | 108 | ||||
| 535 | V | 26.5 | Very low | 25.5 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | 44 | 107.6 | 91.6 | -175 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 536 | T | 28 | Very low | 25.5 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | cis | -138.7 | 159.9 | 45.2 | 50 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 537 | S | 22.5 | Very low | 25.6 | Very low | 88 Ų | 88 | 122 Ų | 122 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | cis | 75.9 | 146.5 | 26.2 | 84.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 538 | V | 25.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 74% | 0.739 | 71% | 0.706 | S | S | * | * | trans | 72.1 | 121.3 | 158 | 177.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 539 | I | 27.1 | Very low | 25.8 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | trans | 63.5 | 110.6 | 157.9 | -67.1 | 167.3 | 0 | 0 | 0 | 115.3 | ||||
| 540 | A | 24.6 | Very low | 25.9 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | cis | 73.9 | 141.3 | 44.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 541 | Q | 23.5 | Very low | 26 | Very low | 175 Ų | 175 | 122.4 Ų | 122.4 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 58.3 | 114.9 | 170.5 | -62.8 | 172.1 | -8.7 | 0 | 0 | 114.9 | ||||
| 542 | N | 25.2 | Very low | 26.2 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | cis | -148.4 | -177.5 | 47.8 | -86.1 | -65.3 | 0 | 0 | 0 | 113.6 | ||||
| 543 | N | 22.7 | Very low | 25.9 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -52.6 | 155.5 | 157.9 | -29.7 | -75.8 | 0 | 0 | 0 | 110.2 | ||||
| 544 | D | 26.2 | Very low | 25.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | -167.7 | 162.2 | 113.8 | -98.5 | -4.8 | 0 | 0 | 0 | 112.1 | |||||
| 545 | F | 26.4 | Very low | 25.6 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | trans | 4.2 | 144.1 | 157 | -54.5 | -70.6 | 0 | 0 | 0 | 119.9 | ||||
| 546 | D | 26.8 | Very low | 25.5 | Very low | 130 Ų | 130 | 131 Ų | 131 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | cis | -162.7 | 142 | 15.6 | -132.6 | -14.5 | 0 | 0 | 0 | 118.1 | ||||
| 547 | S | 26 | Very low | 25.2 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 54% | 0.538 | 70% | 0.702 | S | S | . | * | trans | 67.2 | 155.4 | 131.5 | 86.7 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 548 | Q | 28 | Very low | 25.3 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | trans | 78.7 | 84.7 | 140.1 | -79.7 | 167.9 | 106.7 | 0 | 0 | 121.4 | ||||
| 549 | S | 25.3 | Very low | 25.1 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | -64 | 156 | 121.9 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 550 | P | 28.4 | Very low | 25.1 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -75.2 | 129.6 | 161.7 | 30.7 | -31.9 | 0 | 0 | 0 | 111.1 | ||
| 551 | S | 25.7 | Very low | 25 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | 59 | 96.4 | 149.4 | -58 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 552 | L | 26.4 | Very low | 25 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | 32.7 | 145.8 | 114 | -68 | 86.4 | 0 | 0 | 0 | 120.7 | |||||
| 553 | K | 25.8 | Very low | 25 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | cis | -166.4 | 153.5 | -12.2 | -110.1 | -174 | -169.8 | 179.2 | 0 | 110.1 | ||||
| 554 | F | 23.3 | Very low | 24.9 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | 14.5 | 152 | 129.4 | -60 | -120.5 | 0 | 0 | 0 | 119.1 | |||||
| 555 | Y | 24.5 | Very low | 24.7 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | cis | -146 | 149.4 | 41 | -92.3 | -92 | 0 | 0 | 0 | 110.6 | ||||
| 556 | H | 24.1 | Very low | 24.5 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 60% | 0.597 | 70% | 0.697 | S | S | * | * | 49.6 | 146.8 | 91.3 | -68.1 | -97.9 | 0 | 0 | 0 | 115.7 | |||||
| 557 | D | 22.2 | Very low | 24.4 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | cis | -155.2 | 165.9 | 6.5 | -124 | -21.7 | 0 | 0 | 0 | 115.7 | ||||
| 558 | V | 23.5 | Very low | 24.4 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | trans | 6.2 | 123 | 152.8 | 176.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 559 | N | 22.1 | Very low | 24.3 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | -170.6 | 170.9 | 117 | -115.8 | -61.3 | 0 | 0 | 0 | 117.6 | |||||
| 560 | S | 27.2 | Very low | 24.3 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | 61.5 | 112.9 | 156.8 | 56.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 561 | S | 21.7 | Very low | 24.4 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | trans | -32.8 | 170.7 | 139 | 52.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 562 | N | 23.8 | Very low | 24.5 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | 107.3 | 140.3 | 159 | -68.1 | -68.7 | 0 | 0 | 0 | 118.3 | ||||
| 563 | K | 24.4 | Very low | 24.3 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | trans | 59.9 | 114.1 | 151.1 | -69.6 | 172.2 | -179.9 | 178.5 | 0 | 117.6 | ||||
| 564 | I | 20.7 | Very low | 24.2 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | 71.8 | 85.8 | 66.6 | -62.4 | 166 | 0 | 0 | 0 | 112 | |||||
| 565 | S | 21.9 | Very low | 24.2 | Very low | 83 Ų | 83 | 130 Ų | 130 | 58% | 0.58 | 70% | 0.695 | S | S | * | * | trans | 69.7 | -179.3 | 132.9 | 79 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 566 | Q | 22.6 | Very low | 24.2 | Very low | 154 Ų | 154 | 126 Ų | 126 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | trans | 62.6 | 101.2 | 163.9 | -63.5 | 162 | 63.5 | 0 | 0 | 114.2 | T568 | Q566-T568 HydrophobicContact CB-CG2 3.86Å; Q566-T568 HydrophobicContact CG-CG2 3.74Å | ||
| 567 | S | 24.7 | Very low | 24.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | -131.5 | 113 | 70.6 | -20.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 568 | T | 25.3 | Very low | 24.5 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 53% | 0.528 | 71% | 0.711 | S | S | . | * | 65 | 129.6 | 67.6 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | Q566 | Q566-T568 HydrophobicContact CB-CG2 3.86Å; Q566-T568 HydrophobicContact CG-CG2 3.74Å | |||
| 569 | K | 26 | Very low | 24.5 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | trans | 73.5 | 139.8 | 145.6 | -69.5 | 169 | 179 | 179.3 | 0 | 115.5 | ||||
| 570 | H | 26.7 | Very low | 24.8 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | cis | -162.2 | 174.6 | 6.1 | -129.8 | -34.7 | 0 | 0 | 0 | 113.1 | ||||
| 571 | L | 29.2 | Very low | 24.8 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | trans | 68.9 | 109.8 | 148.8 | -67.1 | 162.8 | 0 | 0 | 0 | 118.7 | ||||
| 572 | H | 28.7 | Very low | 25.2 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | 58.3 | 115.5 | 122.5 | -80.3 | -90.1 | 0 | 0 | 0 | 120.5 | |||||
| 573 | D | 22.7 | Very low | 25.4 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | 54.3 | 150.4 | 104.1 | -59.6 | -4.6 | 0 | 0 | 0 | 122.5 | |||||
| 574 | N | 23.3 | Very low | 25.6 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | 68.6 | 64.5 | 144.8 | -65.5 | -23.1 | 0 | 0 | 0 | 117.6 | ||||
| 575 | A | 23.4 | Very low | 26 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | 59.7 | 174.6 | 100.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 576 | S | 24.3 | Very low | 26.3 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 54.1 | 87.4 | 157.9 | 53.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 577 | R | 30.2 | Very low | 27 | Very low | 255 Ų | 255 | 127.1 Ų | 127.1 | 96% | 0.962 | 72% | 0.717 | S | S | * | * | trans | -135.6 | 96.7 | 131.7 | -108 | 148.1 | -157 | -97.1 | -1 | 111.5 | ||||
| 578 | L | 22.9 | Very low | 27.2 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | trans | -70.5 | 168.4 | 164.6 | -66.1 | 149.9 | 0 | 0 | 0 | 110.4 | ||||
| 579 | H | 23.1 | Very low | 27.4 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | 72.5 | 139 | 168.9 | -44.8 | -67.2 | 0 | 0 | 0 | 114.4 | ||||
| 580 | S | 28.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | cis | -146.8 | 147.5 | 15.8 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 581 | T | 27.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | cis | 63 | 126.1 | 46 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 582 | P | 29.1 | Very low | 27.4 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | -148.4 | 162.6 | 71.1 | 39.6 | -21.6 | 0 | 0 | 0 | 118 | |||||
| 583 | G | 27.5 | Very low | 27.5 | Very low | 83 Ų | 83 | 130 Ų | 130 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | trans | 75.6 | 135.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 584 | S | 28.8 | Very low | 27.7 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 54% | 0.538 | 74% | 0.738 | S | S | . | * | cis | -152.4 | 148.4 | 5.8 | -166.8 | 0 | 0 | 0 | 0 | 107.7 | D373 | D373-S584 PolarHBondContact O-OG 3.26Š| ||
| 585 | L | 29.2 | Very low | 27.9 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | cis | -137.3 | -107.8 | -8 | -140.5 | 176.3 | 0 | 0 | 0 | 111.9 | ||||
| 586 | N | 28.5 | Very low | 27.9 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -175.1 | -179.9 | -173.5 | -115.5 | -36.6 | 0 | 0 | 0 | 110.7 | ||||
| 587 | P | 38.1 | Very low | 28.2 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | cis | -137.9 | 158.3 | -4 | 29.9 | -7.5 | 0 | 0 | 0 | 118.7 | ||||
| 588 | M | 28 | Very low | 27.9 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | trans | 67.2 | 150.1 | 144.5 | -74.5 | 173.1 | 74.6 | 0 | 0 | 118.7 | ||||
| 589 | V | 29.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 66% | 0.655 | 74% | 0.742 | S | S | * | * | cis | -174.6 | 157.7 | -10.5 | 107.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 590 | S | 27.2 | Very low | 28.2 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | cis | 179.2 | -166 | -24.4 | 57.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 591 | K | 27.9 | Very low | 28.2 | Very low | 152 Ų | 152 | 133 Ų | 133 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | cis | -167.4 | 139.9 | 6.3 | -140.5 | 169.3 | -105.6 | 104.3 | 0 | 110.9 | ||||
| 592 | R | 27.5 | Very low | 28.3 | Very low | 226 Ų | 226 | 130.6 Ų | 130.6 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | 72.7 | 138 | 150.6 | -79.8 | 173.9 | -176.9 | 177.5 | 1.1 | 125 | ||||
| 593 | P | 30.2 | Very low | 28.4 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -110.3 | -159.3 | 155 | 42.5 | -33 | 0 | 0 | 0 | 113.4 | ||||
| 594 | N | 26.8 | Very low | 28.1 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -63.5 | 163 | -169.8 | -71 | -16.5 | 0 | 0 | 0 | 119 | ||||
| 595 | K | 28.7 | Very low | 27.9 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -126.8 | 143.3 | 151.1 | -86.7 | -166.3 | 171.3 | -169.4 | 0 | 107.7 | ||||
| 596 | I | 23.7 | Very low | 27.6 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | 72.4 | 102.6 | 50.4 | -57.4 | 168.6 | 0 | 0 | 0 | 113.2 | |||||
| 597 | F | 30.1 | Very low | 27.5 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | -167.2 | 154.3 | 121.6 | -115.3 | -77 | 0 | 0 | 0 | 111.3 | |||||
| 598 | I | 22.8 | Very low | 26.7 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -128 | 135.1 | 172.5 | -68.2 | 174.7 | 0 | 0 | 0 | 108.3 | ||||
| 599 | N | 28.6 | Very low | 26.6 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 171.4 | 149.1 | 157.5 | -94.2 | -9 | 0 | 0 | 0 | 107.8 | ||||
| 600 | S | 23.9 | Very low | 26.5 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | 177.4 | 135.1 | -21.8 | 46.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 601 | A | 29.3 | Very low | 26.4 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | trans | 63.4 | 146 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 602 | G | 30.5 | Very low | 26.3 | Very low | 62 Ų | 62 | 141.4 Ų | 141.4 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | -176.3 | 164.9 | -4.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 603 | D | 30 | Very low | 26.3 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | cis | -149.4 | 171.1 | -0.4 | -88.3 | -43.6 | 0 | 0 | 0 | 111 | ||||
| 604 | E | 21.6 | Very low | 25.9 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -106.7 | 170.9 | 176 | -135.6 | -175.6 | -156.8 | 0 | 0 | 111.2 | ||||
| 605 | V | 23.6 | Very low | 25.9 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | trans | 45.6 | 113.4 | 155.7 | -177 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 606 | S | 24.7 | Very low | 25.8 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -162.1 | 144.7 | 131.8 | 9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 607 | K | 25 | Very low | 25.9 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | 47.3 | 141.3 | 80.3 | -51.3 | -179.6 | -174.8 | 176.8 | 0 | 112.6 | |||||
| 608 | S | 21.8 | Very low | 25.8 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 58% | 0.58 | 74% | 0.736 | S | S | * | * | cis | 178.9 | 156.6 | -9.7 | 43.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 609 | E | 25.2 | Very low | 26 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | 62.7 | 170 | 165.3 | -63.1 | 160.2 | -167.6 | 0 | 0 | 114 | ||||
| 610 | T | 27.6 | Very low | 25.9 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | -141.8 | 164.5 | -33.1 | 19.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 611 | M | 24.7 | Very low | 26.2 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | trans | 46.2 | 132.4 | 141.7 | -74.8 | -167.5 | 174.2 | 0 | 0 | 122.7 | ||||
| 612 | N | 26.4 | Very low | 26.1 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | 93.9 | 126.9 | 125.3 | -76.3 | -6.3 | 0 | 0 | 0 | 122.2 | |||||
| 613 | V | 26.5 | Very low | 25.9 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | 62.2 | 93.5 | 123.8 | -179.5 | 0 | 0 | 0 | 0 | 114.6 | I615 | V613-I615 HydrophobicContact CG1-CD1 4.37Š| |||
| 614 | K | 22.7 | Very low | 26 | Very low | 196 Ų | 196 | 133 Ų | 133 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | 35.8 | 118.4 | 92 | -74.2 | -176.4 | 174.3 | 179.8 | 0 | 112.6 | |||||
| 615 | I | 27.2 | Very low | 26.2 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | -168.6 | 123 | 126 | -104.3 | 155.3 | 0 | 0 | 0 | 110.8 | V613 | V613-I615 HydrophobicContact CG1-CD1 4.37Š| |||
| 616 | H | 26.3 | Very low | 26.4 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | trans | 57.1 | 131.1 | 145.2 | -70.1 | -14.6 | 0 | 0 | 0 | 123.2 | ||||
| 617 | N | 26.6 | Very low | 26.3 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | 66.7 | 142.3 | 124 | -53.1 | 0.3 | 0 | 0 | 0 | 118.2 | |||||
| 618 | N | 27.9 | Very low | 26.3 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | cis | -123.3 | 150.7 | 2.1 | -104.8 | -35 | 0 | 0 | 0 | 108.4 | ||||
| 619 | T | 25.7 | Very low | 26.4 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | 41.8 | 139.9 | 83.7 | 87.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 620 | N | 27.8 | Very low | 26.4 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | cis | -163.4 | 173.3 | 39.2 | -141.8 | -18.6 | 0 | 0 | 0 | 114.1 | ||||
| 621 | T | 28.2 | Very low | 26.1 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | trans | 64.4 | 145.1 | 148 | 45.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 622 | T | 29.1 | Very low | 26.4 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 63% | 0.632 | 68% | 0.68 | S | S | * | * | trans | 68.5 | 133 | 150.1 | 47.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 623 | N | 25 | Very low | 26.3 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | cis | 63.8 | 159.2 | 48.4 | -56.1 | -3.5 | 0 | 0 | 0 | 112.7 | ||||
| 624 | N | 31.9 | Very low | 26.4 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | 57.6 | 92.4 | 168 | -47.2 | -10.9 | 0 | 0 | 0 | 114.5 | ||||
| 625 | D | 26.9 | Very low | 26.4 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 52% | 0.519 | 68% | 0.677 | S | S | . | * | cis | 33 | 171.9 | 24.8 | -133.2 | 101.9 | 0 | 0 | 0 | 116.8 | K280 | K280-D625 IonicContact NZ-OD1 2.7Å; K280-D625 PolarHBondContact NZ-OD1 3.2Å; K280-D625 IonicContact NZ-OD2 2.65Å | ||
| 626 | N | 28.1 | Very low | 26.6 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 57% | 0.567 | 68% | 0.682 | S | S | * | * | trans | 75.7 | 146.3 | -135.7 | -58.7 | -82.6 | 0 | 0 | 0 | 112 | ||||
| 627 | K | 21.9 | Very low | 26.6 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | cis | 81 | 161.8 | 20.8 | -162 | -164.4 | -178.8 | -177.5 | 0 | 112.5 | ||||
| 628 | T | 24.4 | Very low | 26.7 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 58% | 0.577 | 69% | 0.692 | S | S | * | * | trans | 63.4 | 135.2 | 169.5 | 63.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 629 | N | 24.8 | Very low | 26.6 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | cis | -162.9 | -177 | -7.9 | -107.7 | -9.7 | 0 | 0 | 0 | 105.2 | ||||
| 630 | T | 23.9 | Very low | 26.7 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | cis | -160.9 | 146.4 | 20.5 | -17.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 631 | V | 22.8 | Very low | 26.7 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | 32.3 | 111.2 | 136.3 | -179.2 | 0 | 0 | 0 | 0 | 118.8 | L633 | V631-L633 HydrophobicContact CG1-CD1 3.41Å; V631-L633 VanDerWaalsContact CG1-CD1 3.41Å | ||
| 632 | A | 30.3 | Very low | 26.5 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | -133.6 | 126 | 121.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 633 | L | 23.3 | Very low | 26.2 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | 48.9 | 95.4 | 71.8 | -90.2 | 79.3 | 0 | 0 | 0 | 112.9 | V631 | V631-L633 HydrophobicContact CG1-CD1 3.41Å; V631-L633 VanDerWaalsContact CG1-CD1 3.41Å | |||
| 634 | N | 28.7 | Very low | 26.3 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 69% | 0.69 | 69% | 0.69 | S | S | * | * | 178 | 135.9 | 86.6 | -89.9 | -45.6 | 0 | 0 | 0 | 114.8 | |||||
| 635 | N | 23.8 | Very low | 26 | Very low | 140 Ų | 140 | 122 Ų | 122 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | 6.1 | 123.2 | 140.2 | -52.3 | -38.8 | 0 | 0 | 0 | 119.1 | ||||
| 636 | T | 30.3 | Very low | 25.9 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | -167.7 | 108.7 | 110 | 16.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 637 | K | 26.6 | Very low | 25.7 | Very low | 187 Ų | 187 | 124.3 Ų | 124.3 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | 34.6 | 107.4 | 132.8 | -70.5 | -170.9 | 175.8 | -172.9 | 0 | 120.1 | ||||
| 638 | N | 28.7 | Very low | 25.8 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | 176.5 | 111.7 | 97.9 | -90.7 | -7.5 | 0 | 0 | 0 | 113.1 | |||||
| 639 | D | 26.4 | Very low | 25.8 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | trans | 32.7 | 121.8 | 137.2 | -45.9 | -19.2 | 0 | 0 | 0 | 122 | ||||
| 640 | A | 28.7 | Very low | 25.9 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 70% | 0.703 | S | S | * | * | -170.8 | 141.9 | 102.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 641 | H | 26.2 | Very low | 26.5 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 82% | 0.815 | 70% | 0.702 | S | S | * | * | trans | -154 | 148.2 | 178.7 | -117 | -76.3 | 0 | 0 | 0 | 112.5 | ||||
| 642 | N | 25 | Very low | 26.6 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | trans | 72.6 | 139.7 | 153.1 | -72.8 | 9.1 | 0 | 0 | 0 | 122.2 | ||||
| 643 | C | 22.7 | Very low | 26.3 | Very low | 59 Ų | 59 | 133 Ų | 133 | 40% | 0.399 | 70% | 0.699 | S | S | . | * | 57.4 | 127 | 125.7 | -52 | 0 | 0 | 0 | 0 | 120.7 | Y263 H264 | Y263-C643 WeakPolarHBondContact O-CB 3.34Å; Y263-C643 PolarHBondContact O-SG 3.44Å; H264-C643 PolarHBondContact CD2-O 2.83Å; H264-C643 VanDerWaalsContact CD2-O 3.26Å | |||
| 644 | N | 26.2 | Very low | 26.5 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 44% | 0.444 | 71% | 0.707 | S | S | . | * | trans | 108.6 | 0 | -168.4 | -50.5 | -24.8 | 0 | 0 | 0 | 120.7 | Y263 H264 E265 | Y263-N644 WeakPolarHBondContact CD1-OD1 3.24Å; H264-N644 VanDerWaalsContact CB-C 3.45Å; H264-N644 WeakPolarHBondContact CB-O 3.4Å; H264-N644 WeakPolarHBondContact CD2-CA 3.39Å; H264-N644 WeakPolarHBondContact CD2-CB 3.22Å; H264-N644 PolarHBondContact CD2-N 2.96Å; H264-N644 PolarHBondContact CD2-O 3.47Å; H264-N644 PolarHBondContact CE1-O 2.78Å; H264-N644 PolarHBondContact ND1-O 2.79Å; H264-N644 WeakPolarHBondContact NE2-CA 3.09Å; H264-N644 WeakPolarHBondContact NE2-CB 3.19Å; H264-N644 PolarHBondContact NE2-O 3.46Å; E265-N644 VanDerWaalsContact O-O 3.05Å | ||
| 645 | I | 26.4 | Very low | 26.4 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 39% | 0.39 | 71% | 0.714 | S | S | . | * | 0 | 161.9 | 0 | -151.9 | 157.8 | 0 | 0 | 0 | 118.9 | Y263 H264 | Y263-I645 HydrophobicContact CD1-CB 3.74Å; Y263-I645 HydrophobicContact CD1-CG2 3.31Å; Y263-I645 HydrophobicContact CD2-CB 3.91Å; Y263-I645 HydrophobicContact CD2-CD1 3.3Å; Y263-I645 HydrophobicContact CD2-CG1 4.18Å; Y263-I645 HydrophobicContact CD2-CG2 3.91Å; Y263-I645 HydrophobicContact CE1-CB 4.32Å; Y263-I645 HydrophobicContact CE1-CG2 3.42Å; Y263-I645 VanDerWaalsContact CE1-CG2 3.42Å; Y263-I645 HydrophobicContact CE2-CB 4.49Å; Y263-I645 HydrophobicContact CE2-CD1 3.77Å; Y263-I645 HydrophobicContact CE2-CG2 4.03Å; Y263-I645 HydrophobicContact CG-CB 3.51Å; Y263-I645 HydrophobicContact CG-CD1 3.84Å; Y263-I645 HydrophobicContact CG-CG1 4.25Å; Y263-I645 HydrophobicContact CG-CG2 3.57Å; H264-I645 WeakPolarHBondContact CE1-CA 3.29Å; H264-I645 PolarHBondContact CE1-N 3.36Å; H264-I645 PolarHBondContact CE1-O 3.03Å; H264-I645 VanDerWaalsContact CE1-O 3.27Å; H264-I645 VanDerWaalsContact CG-N 3.31Å; H264-I645 WeakPolarHBondContact ND1-CA 3.33Å; H264-I645 PolarHBondContact ND1-N 3.02Å; H264-I645 PolarHBondContact NE2-N 3.32Å; H264-I645 VanDerWaalsContact NE2-N 3.13Å | |||
| 646 | D | 24.7 | Very low | 26.6 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | trans | 87.9 | 168.4 | 154.1 | -87.7 | -47.7 | 0 | 0 | 0 | 120.7 | ||||
| 647 | K | 24.9 | Very low | 26.2 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 54% | 0.539 | 72% | 0.716 | S | S | . | * | trans | -80.1 | 166.3 | -157.1 | -55.2 | -175.3 | 178 | -173.8 | 0 | 114.8 | E230 | E230-K647 IonicContact OE1-NZ 3.51Å; E230-K647 PolarHBondContact OE1-NZ 2.64Å; E230-K647 IonicContact OE2-NZ 2.76Å; E230-K647 PolarHBondContact OE2-NZ 2.93Å | ||
| 648 | D | 24 | Very low | 26.2 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | 57.9 | 101.5 | 152.6 | -60.9 | -40 | 0 | 0 | 0 | 119.1 | ||||
| 649 | L | 24.4 | Very low | 26.2 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | -170.5 | 153.9 | 96.9 | -96.3 | 163.2 | 0 | 0 | 0 | 113.5 | |||||
| 650 | R | 25.2 | Very low | 26.2 | Very low | 230 Ų | 230 | 136 Ų | 136 | 87% | 0.868 | 71% | 0.711 | S | S | * | * | trans | -93.1 | 173.8 | 170.9 | -81 | -177.5 | 177.6 | -178.9 | 0.5 | 110.5 | ||||
| 651 | P | 37.1 | Very low | 26.1 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | cis | -133.1 | 162.3 | -36.2 | 36.6 | -22.1 | 0 | 0 | 0 | 112.8 | ||||
| 652 | D | 24.2 | Very low | 26.1 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | trans | 169.2 | 151.3 | 146.7 | -103 | 9.8 | 0 | 0 | 0 | 109.6 | ||||
| 653 | N | 25.6 | Very low | 26.3 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 68% | 0.676 | S | S | * | * | cis | -151.8 | 166.5 | -10.2 | -142.6 | -43.8 | 0 | 0 | 0 | 110.7 | ||||
| 654 | L | 27.8 | Very low | 26.6 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 85% | 0.848 | 68% | 0.677 | S | S | * | * | trans | 56.1 | 99.9 | 163.9 | -75 | 159.9 | 0 | 0 | 0 | 120.4 | ||||
| 655 | I | 26.4 | Very low | 26.8 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 84% | 0.836 | 68% | 0.684 | S | S | * | * | trans | -67.3 | 145.1 | 170.7 | -64.2 | 154.8 | 0 | 0 | 0 | 112.9 | ||||
| 656 | K | 26.5 | Very low | 27 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 85% | 0.852 | 70% | 0.701 | S | S | * | * | trans | -155.2 | 127.7 | 147.7 | -123.9 | 173.1 | -173.8 | 174.9 | 0 | 113.9 | ||||
| 657 | S | 22.5 | Very low | 27.2 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -138.5 | 147 | 159.3 | 51.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 658 | E | 27.2 | Very low | 27.5 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | trans | 64.7 | 133.3 | -159.9 | -52.1 | -163.3 | 152.3 | 0 | 0 | 113.4 | ||||
| 659 | P | 29 | Very low | 27.7 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | -118.5 | 157.3 | 67.5 | 41.4 | -34.8 | 0 | 0 | 0 | 113.1 | |||||
| 660 | H | 25.1 | Very low | 28 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.787 | 70% | 0.702 | S | S | * | * | 57.8 | 119.2 | 64.1 | -99.1 | -46.3 | 0 | 0 | 0 | 115.3 | |||||
| 661 | R | 27.8 | Very low | 28.1 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | trans | -144.8 | 123.9 | 144.3 | -132.8 | 172.3 | -167.6 | 179.6 | 3.3 | 111.2 | S178 | S178-R661 WeakPolarHBondContact O-CG 3.34Å; S178-R661 PolarHBondContact OG-NE 3.37Å | ||
| 662 | S | 26.1 | Very low | 27.6 | Very low | 51 Ų | 51 | 136.2 Ų | 136.2 | 36% | 0.357 | 70% | 0.698 | S | S | . | * | trans | -93.9 | -161.1 | 168.2 | 42.3 | 0 | 0 | 0 | 0 | 107.1 | S178 K179 E180 | S178-S662 CarbonylContact C-O 3.57Å; S178-S662 CarbonylContact O-C 3.48Å; S178-S662 PolarHBondContact O-N 3.46Å; S178-S662 PolarHBondContact O-OG 3.18Å; S178-S662 VanDerWaalsContact O-OG 3.04Å; K179-S662 CarbonylContact C-O 3.53Å; K179-S662 WeakPolarHBondContact CA-O 3.03Å; K179-S662 PolarHBondContact N-O 2.77Å; E180-S662 PolarHBondContact N-O 3.27Å | ||
| 663 | N | 29 | Very low | 27.7 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 44% | 0.439 | 70% | 0.697 | S | S | . | * | cis | 170.6 | -164.6 | 37.9 | -141.9 | -43.4 | 0 | 0 | 0 | 109.5 | K179 E180 | K179-N663 VanDerWaalsContact CA-N 3.31Å; K179-N663 HydrophobicContact CB-CB 4.46Å; K179-N663 HydrophobicContact CG-CB 4.22Å; E180-N663 WeakPolarHBondContact CA-O 3.27Å; E180-N663 PolarHBondContact N-O 2.82Å | ||
| 664 | E | 28.9 | Very low | 27.7 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 41% | 0.407 | 70% | 0.7 | S | S | . | * | trans | 73.5 | 123.5 | 165.2 | -152.2 | 102 | -84.8 | 0 | 0 | 115 | K179 | K179-E664 HydrophobicContact CB-CB 4.45Å; K179-E664 VanDerWaalsContact CD-OE2 3.24Å; K179-E664 WeakPolarHBondContact CD-OE2 3.33Å; K179-E664 WeakPolarHBondContact CE-OE2 3.17Å; K179-E664 HydrophobicContact CG-CB 4.16Å; K179-E664 VanDerWaalsContact CG-OE2 3.29Å; K179-E664 WeakPolarHBondContact CG-OE2 3.44Å; K179-E664 IonicContact NZ-OE1 3.14Å; K179-E664 PolarHBondContact NZ-OE1 2.96Å; K179-E664 IonicContact NZ-OE2 3.71Å; K179-E664 PolarHBondContact NZ-OE2 2.75Å | ||
| 665 | K | 29.8 | Very low | 27.7 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 60% | 0.596 | 69% | 0.69 | S | S | * | * | cis | -153.7 | 158 | -9.6 | -109.4 | -162.8 | 174.8 | 68.1 | 0 | 106.5 | D667 | K665-D667 WeakPolarHBondContact CE-OD2 3.17Š| ||
| 666 | I | 29.8 | Very low | 27.6 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | cis | 73 | 99.1 | 2.2 | -48.2 | -179.8 | 0 | 0 | 0 | 117.2 | ||||
| 667 | D | 29.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | trans | 171.4 | 151 | 145.2 | -71.6 | -34.4 | 0 | 0 | 0 | 104.2 | K665 | K665-D667 WeakPolarHBondContact CE-OD2 3.17Š| ||
| 668 | D | 30.5 | Very low | 27.6 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | cis | -126.1 | -159.1 | 10 | -124.9 | 12.7 | 0 | 0 | 0 | 110 | ||||
| 669 | I | 29.9 | Very low | 27.7 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | cis | 80.2 | 133.5 | 29.7 | -43.5 | -176.4 | 0 | 0 | 0 | 113.8 | ||||
| 670 | Q | 29.2 | Very low | 27.7 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | cis | -136.9 | -174.2 | 12.5 | -143.5 | 158.6 | 38.4 | 0 | 0 | 116.1 | ||||
| 671 | C | 27.6 | Very low | 27.7 | Very low | 108 Ų | 108 | 131 Ų | 131 | 73% | 0.73 | 66% | 0.664 | S | S | * | * | trans | -75.7 | 176.2 | -176.3 | -46 | 0 | 0 | 0 | 0 | 114 | ||||
| 672 | N | 26.5 | Very low | 27.5 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | cis | -162.9 | 171.8 | 8.1 | -141.8 | -15.7 | 0 | 0 | 0 | 113.6 | ||||
| 673 | Q | 27.5 | Very low | 27.4 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | 71.8 | 124 | 159.3 | -69.2 | 178.6 | -1.2 | 0 | 0 | 121.6 | ||||
| 674 | L | 25.6 | Very low | 27.1 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | 38.6 | 129 | 128.2 | -51.2 | 168.7 | 0 | 0 | 0 | 118.2 | |||||
| 675 | N | 26.4 | Very low | 27.1 | Very low | 120 Ų | 120 | 142 Ų | 142 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | cis | -168.2 | 157.8 | 12.6 | -116.9 | -7.8 | 0 | 0 | 0 | 109 | ||||
| 676 | Q | 26.2 | Very low | 26.8 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | cis | -159.3 | 139.4 | -10.9 | -163.1 | -174.3 | 114.3 | 0 | 0 | 109.1 | ||||
| 677 | M | 22.7 | Very low | 26.6 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -158.3 | 77.8 | 154.5 | -148.2 | -169.2 | 95.8 | 0 | 0 | 112.6 | ||||
| 678 | Y | 25.8 | Very low | 26.3 | Very low | 189 Ų | 189 | 145.2 Ų | 145.2 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -167.7 | 124.5 | 132 | -119.5 | -80 | 0 | 0 | 0 | 111.9 | S680 | Y678-S680 PolarHBondContact O-OG 2.73Š| ||
| 679 | V | 29.5 | Very low | 26.3 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -75.1 | 115.7 | 169.6 | 169.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 680 | S | 27.3 | Very low | 26 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | cis | 71.9 | 128.8 | 46.5 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | Y678 | Y678-S680 PolarHBondContact O-OG 2.73Š| ||
| 681 | D | 25.1 | Very low | 25.7 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -160.3 | 171 | -6.9 | -162.9 | 5 | 0 | 0 | 0 | 110.4 | ||||
| 682 | K | 24.8 | Very low | 25.6 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 44.2 | 108.4 | 161.5 | -66.6 | 174.1 | -171.6 | 78 | 0 | 118.7 | ||||
| 683 | M | 23.5 | Very low | 25.6 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 95% | 0.951 | 74% | 0.736 | S | S | * | * | trans | -161.9 | 58.5 | 140.6 | -112.3 | -66.4 | -133 | 0 | 0 | 112.4 | ||||
| 684 | N | 23.4 | Very low | 25.8 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | trans | -155.7 | 93.8 | 172 | -154 | -4.6 | 0 | 0 | 0 | 112.8 | ||||
| 685 | K | 27.5 | Very low | 26.2 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | 174.3 | 137.9 | 103.8 | -89.6 | -174.8 | 177.7 | -177.8 | 0 | 113.3 | |||||
| 686 | Q | 23.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 157.4 Ų | 157.4 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | 21.2 | 146.3 | 119.4 | -35.1 | 168.7 | -72.1 | 0 | 0 | 118.4 | |||||
| 687 | H | 26 | Very low | 26.5 | Very low | 163 Ų | 163 | 157 Ų | 157 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -140.9 | 155.4 | 24.9 | -112.2 | -79.7 | 0 | 0 | 0 | 112.9 | ||||
| 688 | K | 24.5 | Very low | 26.5 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 156.2 | 167 | -94.1 | -172.9 | 174.4 | -177.4 | 0 | 111.8 | ||
| 689 | H | 28.9 | Very low | 26.4 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -60 | 152.3 | 178.4 | -94.1 | -114.8 | 0 | 0 | 0 | 114.9 | ||
| 690 | V | 23.9 | Very low | 26.1 | Very low | 116 Ų | 116 | 155.1 Ų | 155.1 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 133.2 | 164.7 | 170.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 691 | Y | 22.2 | Very low | 25.8 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | 59.2 | 148 | 167.8 | -74.6 | -139.3 | 0 | 0 | 0 | 114.5 | ||||
| 692 | Q | 26.7 | Very low | 25.6 | Very low | 175 Ų | 175 | 159.3 Ų | 159.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -156 | 171.3 | 47.2 | -168.7 | 161.5 | 5.3 | 0 | 0 | 112.5 | ||||
| 693 | Q | 25.2 | Very low | 25.5 | Very low | 164 Ų | 164 | 159.8 Ų | 159.8 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -67.6 | 152.5 | -172.2 | -65.1 | 141.9 | -52.7 | 0 | 0 | 115.1 | ||||
| 694 | L | 31.6 | Very low | 25.5 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -56.8 | 165.2 | 158.5 | -73.4 | 150.2 | 0 | 0 | 0 | 112.9 | ||||
| 695 | K | 34.9 | Very low | 25.6 | Very low | 176 Ų | 176 | 155.3 Ų | 155.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 65.2 | 95.7 | 163.1 | -68.1 | -179.4 | 176.4 | -178.6 | 0 | 117.3 | L697 | K695-L697 HydrophobicContact CB-CD1 4.28Š| ||
| 696 | L | 34.1 | Very low | 25.6 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | -152.1 | 127.2 | 128.4 | -95 | 133.8 | 0 | 0 | 0 | 109.2 | |||||
| 697 | L | 24.6 | Very low | 25.8 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | cis | -154.5 | 155.6 | -27.7 | -150.2 | 68.4 | 0 | 0 | 0 | 110.3 | K695 | K695-L697 HydrophobicContact CB-CD1 4.28Š| ||
| 698 | N | 24.2 | Very low | 25.7 | Very low | 113 Ų | 113 | 154 Ų | 154 | 60% | 0.604 | 75% | 0.748 | S | S | * | * | trans | 11.1 | 142.6 | 153.1 | -77.3 | 46.9 | 0 | 0 | 0 | 122.3 | ||||
| 699 | D | 23.1 | Very low | 25.6 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | trans | 58.9 | 90.9 | 144.7 | -54.8 | -40.2 | 0 | 0 | 0 | 117.3 | ||||
| 700 | Q | 21.9 | Very low | 25.5 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | -111.2 | 113.2 | 115.5 | -72.4 | -155.1 | -19 | 0 | 0 | 110.7 | |||||
| 701 | Q | 21.8 | Very low | 25.6 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | trans | -61.5 | 165.7 | 153.4 | -63 | 175.3 | -14.6 | 0 | 0 | 109.2 | ||||
| 702 | H | 21.8 | Very low | 25.7 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | 78.8 | 103.1 | 174.6 | -55.8 | -86.3 | 0 | 0 | 0 | 117.7 | ||||
| 703 | K | 22.9 | Very low | 25.6 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | 48.7 | 122.4 | 116 | -71.6 | -176.9 | 174.1 | -175.8 | 0 | 119.8 | |||||
| 704 | I | 21.6 | Very low | 25.6 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | 75.6 | 102.4 | 128.7 | -59.9 | 168 | 0 | 0 | 0 | 117.5 | |||||
| 705 | S | 26.1 | Very low | 25.1 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | 62.8 | -169.6 | 149.5 | 75.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 706 | Q | 28.5 | Very low | 25.2 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | cis | -147.2 | 162.2 | 6.6 | -137.2 | 166.6 | -28.8 | 0 | 0 | 107.1 | ||||
| 707 | D | 27.9 | Very low | 25 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 61% | 0.61 | 72% | 0.721 | S | S | * | * | 173.5 | 146 | 71.6 | -120.4 | 14.2 | 0 | 0 | 0 | 107.7 | |||||
| 708 | Q | 23.7 | Very low | 24.9 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | cis | -143.5 | 143 | -10.4 | -69.4 | -170.3 | 8.4 | 0 | 0 | 111 | ||||
| 709 | S | 23.2 | Very low | 24.8 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | 148.4 | 110.4 | 121.5 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 710 | S | 24.9 | Very low | 24.8 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | 55.6 | 149.6 | 154.4 | 57.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 711 | P | 27.8 | Very low | 24.9 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | cis | -137.8 | 148.3 | -38.5 | 37.4 | -21 | 0 | 0 | 0 | 115.2 | ||||
| 712 | I | 24.1 | Very low | 25 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 71 | 109.9 | 137.6 | -66.8 | 173.3 | 0 | 0 | 0 | 120.6 | ||||
| 713 | I | 24.7 | Very low | 25.3 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | trans | 69.8 | 128.3 | 139.6 | -65.4 | 176.4 | 0 | 0 | 0 | 121 | E715 | I713-E715 HydrophobicContact CG2-CB 4.28Å; I713-E715 HydrophobicContact CG2-CG 3.88Å | ||
| 714 | S | 24 | Very low | 25.7 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -96.3 | 118.5 | 150.6 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 715 | E | 22.1 | Very low | 26 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -114.6 | 149.8 | 164 | -95 | -169.8 | 166.6 | 0 | 0 | 110.4 | I713 | I713-E715 HydrophobicContact CG2-CB 4.28Å; I713-E715 HydrophobicContact CG2-CG 3.88Å | ||
| 716 | C | 36.1 | Very low | 26.2 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | trans | -127.8 | 129.1 | 155.1 | -175 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 717 | N | 30.3 | Very low | 26 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 63.5 | 100.8 | 178.4 | -65.2 | -53.7 | 0 | 0 | 0 | 117.2 | ||
| 718 | K | 23.3 | Very low | 25.9 | Very low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | 166.6 | 160.7 | 98.1 | -87.5 | 141.8 | -164.2 | 162 | 0 | 113.5 | |||||
| 719 | G | 21.2 | Very low | 25.8 | Very low | 62 Ų | 62 | 136.4 Ų | 136.4 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | 113.1 | 49.5 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 720 | K | 23.4 | Very low | 25.9 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | trans | -164.4 | 129.1 | 136.9 | -96.7 | 136 | -170.1 | 172.1 | 0 | 107.9 | ||||
| 721 | V | 23.3 | Very low | 25.8 | Very low | 131 Ų | 131 | 139 Ų | 139 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | cis | 64.2 | 53.7 | 24.8 | -158 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 722 | K | 24.4 | Very low | 25.7 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | -112.5 | 128.5 | 110.2 | -79.6 | -179.2 | -179.8 | 176.7 | 0 | 106.1 | |||||
| 723 | R | 28.8 | Very low | 25.8 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | 56.5 | 130.4 | 97.6 | -63.1 | -166.4 | -179.3 | 153.3 | -0.4 | 114.1 | |||||
| 724 | D | 30 | Very low | 25.8 | Very low | 119 Ų | 119 | 141 Ų | 141 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | -160.3 | 156.8 | -9.1 | -96.4 | -34.6 | 0 | 0 | 0 | 109.4 | G726 | D724-G726 PolarHBondContact O-N 3.19Š| ||
| 725 | N | 29.1 | Very low | 26.3 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | 38.2 | 70.2 | 143 | -55.8 | -30.7 | 0 | 0 | 0 | 121.1 | ||||
| 726 | G | 29.3 | Very low | 26.7 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | 63.7 | -175.9 | 120.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | D724 | D724-G726 PolarHBondContact O-N 3.19Š| |||
| 727 | K | 25.5 | Very low | 26.4 | Very low | 203 Ų | 203 | 138 Ų | 138 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | 64.1 | 162.2 | -174.6 | -63.1 | -176.2 | 177.8 | -179.2 | 0 | 115.8 | ||||
| 728 | S | 23.8 | Very low | 26.3 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 61.2 | 112 | 163.5 | 22.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 729 | T | 22.5 | Very low | 26.5 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | 9.8 | 148 | 114.8 | 57.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 730 | I | 24.7 | Very low | 26.8 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | 90.3 | 97.5 | 165.8 | -54.7 | 162.4 | 0 | 0 | 0 | 114.6 | Y732 | I730-Y732 HydrophobicContact CG2-CD2 3.77Å; I730-Y732 HydrophobicContact CG2-CE2 3.59Å | ||
| 731 | L | 23 | Very low | 26.9 | Very low | 142 Ų | 142 | 136 Ų | 136 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | 42.2 | 167.4 | 116.4 | -63.8 | 166.4 | 0 | 0 | 0 | 121.9 | |||||
| 732 | Y | 26.1 | Very low | 26.9 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 70% | 0.698 | 72% | 0.722 | S | S | * | * | trans | 89.2 | 134.3 | 162.8 | -51.8 | -65.7 | 0 | 0 | 0 | 116.3 | I730 | I730-Y732 HydrophobicContact CG2-CD2 3.77Å; I730-Y732 HydrophobicContact CG2-CE2 3.59Å | ||
| 733 | D | 26.6 | Very low | 26.8 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | cis | -152.2 | 173.4 | 1 | -132.3 | -24.1 | 0 | 0 | 0 | 117.9 | ||||
| 734 | E | 24.9 | Very low | 26.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 56% | 0.561 | 73% | 0.729 | S | S | * | * | trans | -37.4 | 158.8 | 169.9 | -114.4 | -159.6 | -157.4 | 0 | 0 | 116.2 | ||||
| 735 | P | 33.6 | Very low | 26.4 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | -127.4 | 161.1 | 56.2 | 39.8 | -27.1 | 0 | 0 | 0 | 113.6 | |||||
| 736 | S | 31.6 | Very low | 26.2 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -174.2 | 151.4 | 10.5 | 27.1 | 0 | 0 | 0 | 0 | 107.6 | ||
| 737 | L | 28.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | cis | -149.2 | 134.6 | 2 | -87.1 | 128.7 | 0 | 0 | 0 | 110 | ||||
| 738 | K | 28.6 | Very low | 26.3 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | trans | 67.9 | 144.2 | 137.2 | -68.6 | -173.5 | 172.5 | -171.9 | 0 | 121.1 | ||||
| 739 | I | 26.5 | Very low | 26.4 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | cis | -157.1 | 176.3 | -10.7 | -126.5 | 167.4 | 0 | 0 | 0 | 112 | ||||
| 740 | T | 27.5 | Very low | 26.8 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | -95.8 | -174.8 | -167 | 57.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 741 | C | 26.6 | Very low | 27 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | -57.3 | 167.2 | 154.4 | -33.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 742 | S | 22.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | cis | -147.9 | 160.4 | 8.6 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 743 | E | 23 | Very low | 27.9 | Very low | 178 Ų | 178 | 132 Ų | 132 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | 61.1 | 145 | 161.4 | -68.5 | -171.9 | 171.1 | 0 | 0 | 121 | ||||
| 744 | L | 22.7 | Very low | 27.8 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 72% | 0.722 | S | S | * | * | trans | 60.3 | 159.9 | 166.9 | -74.6 | 162.4 | 0 | 0 | 0 | 118 | ||||
| 745 | G | 26.6 | Very low | 28.2 | Very low | 64 Ų | 64 | 130.8 Ų | 130.8 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | trans | 61.4 | 98 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 746 | Q | 24.9 | Very low | 28 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | 25.1 | 100.2 | 67 | -60.3 | -171.7 | 26.3 | 0 | 0 | 113.6 | |||||
| 747 | L | 28 | Very low | 27.8 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | -168.9 | 88.1 | 123.3 | -91.2 | -179.8 | 0 | 0 | 0 | 105.6 | |||||
| 748 | T | 29.8 | Very low | 27.6 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | 76.8 | 133.4 | 90.1 | 55 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 749 | Y | 27 | Very low | 27.8 | Very low | 207 Ų | 207 | 140 Ų | 140 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | 73.1 | 147.7 | 141.3 | -74.4 | -148.8 | 0 | 0 | 0 | 114.8 | ||||
| 750 | T | 29.9 | Very low | 27.5 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 57% | 0.571 | 74% | 0.74 | S | S | * | * | cis | -161.7 | 145.3 | -3.5 | 13.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 751 | N | 28.6 | Very low | 27.4 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | trans | 63.2 | 172 | 143 | -56.4 | 1.7 | 0 | 0 | 0 | 116.2 | ||||
| 752 | E | 28.3 | Very low | 27.4 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | cis | -144.8 | -167 | -6.9 | -141.3 | 140 | -126.2 | 0 | 0 | 110 | ||||
| 753 | V | 39.9 | Very low | 27.4 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | trans | 52.7 | 69.5 | 170.2 | -157.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 754 | N | 24.5 | Very low | 27.5 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | cis | 60.6 | 52 | 28.9 | -148.6 | 6 | 0 | 0 | 0 | 114.3 | ||||
| 755 | S | 33.4 | Very low | 27.6 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | trans | -152.5 | 136.6 | 165.5 | 100.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 756 | Y | 28.6 | Very low | 27.5 | Very low | 223 Ų | 223 | 134 Ų | 134 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | cis | -129.9 | 172.5 | -0.2 | -107.1 | -86.1 | 0 | 0 | 0 | 112.7 | ||||
| 757 | F | 28 | Very low | 27.9 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | trans | -77.8 | 166.6 | -164.6 | -86.4 | -130.6 | 0 | 0 | 0 | 116.9 | ||||
| 758 | K | 25.3 | Very low | 27.7 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | trans | -11.8 | 159.7 | 133.8 | -58.4 | 164.7 | -177.9 | 156.1 | 0 | 116.5 | ||||
| 759 | P | 31.2 | Very low | 27.7 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | cis | -131.1 | -124.2 | -2.6 | 37 | -15.2 | 0 | 0 | 0 | 112.1 | ||||
| 760 | C | 22.1 | Very low | 27.6 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 64% | 0.635 | 72% | 0.715 | S | S | * | * | trans | -57.3 | 149.4 | -172.7 | -63.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 761 | S | 24.6 | Very low | 27.6 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 60.2 | 104.7 | 153.8 | 49.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 762 | Q | 25.5 | Very low | 27.5 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | 71 | 101 | 124.9 | -68.6 | 170.5 | -52.5 | 0 | 0 | 119.7 | |||||
| 763 | S | 24.7 | Very low | 27.6 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | 80.8 | 145 | 113.7 | 76.1 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 764 | G | 24.2 | Very low | 27.1 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | trans | 105.6 | -179.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 765 | V | 24.1 | Very low | 27.3 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 61% | 0.606 | 72% | 0.719 | S | S | * | * | cis | -138.7 | 107.8 | 10.5 | 169.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 766 | I | 25.8 | Very low | 27.2 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | trans | 54 | 141.4 | 131.4 | -49.3 | 173.1 | 0 | 0 | 0 | 118.3 | R768 | I766-R768 HydrophobicContact CB-CG 4.32Å; I766-R768 HydrophobicContact CG2-CB 4.28Å; I766-R768 HydrophobicContact CG2-CG 3.9Å | ||
| 767 | P | 32.3 | Very low | 27.1 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | S | Bend | -118.4 | 136.4 | 128.1 | 34.7 | -31 | 0 | 0 | 0 | 112.2 | |||
| 768 | R | 24.2 | Very low | 27.2 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | cis | 175.6 | 156.8 | -36.3 | -109.2 | -179 | -173.4 | -171.6 | 1.3 | 104.2 | I766 | I766-R768 HydrophobicContact CB-CG 4.32Å; I766-R768 HydrophobicContact CG2-CB 4.28Å; I766-R768 HydrophobicContact CG2-CG 3.9Å | ||
| 769 | P | 28.7 | Very low | 27.2 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | cis | -138.5 | -162 | 17.2 | 32 | -6.6 | 0 | 0 | 0 | 113.4 | ||||
| 770 | R | 25.2 | Very low | 26.8 | Very low | 201 Ų | 201 | 133.5 Ų | 133.5 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | trans | 57.5 | 132.3 | 132.9 | -86 | 175 | -173.5 | 154.5 | 1.5 | 119.3 | F772 | R770-F772 HydrophobicContact CG-CE2 4.33Š| ||
| 771 | E | 30.4 | Very low | 27.5 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | cis | -158.4 | 168.5 | 16.4 | -60.9 | -143.5 | 141.8 | 0 | 0 | 109.6 | ||||
| 772 | F | 27.3 | Very low | 27.4 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 58% | 0.583 | 73% | 0.727 | S | S | * | * | cis | -166.5 | 151.9 | -33.5 | -113.2 | -59.4 | 0 | 0 | 0 | 108.8 | R770 | R770-F772 HydrophobicContact CG-CE2 4.33Š| ||
| 773 | F | 29.4 | Very low | 27.4 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | trans | 59.8 | 149.9 | 159.3 | -64.9 | -59.3 | 0 | 0 | 0 | 118.4 | ||||
| 774 | S | 29.9 | Very low | 27.6 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | cis | -150.4 | 145.2 | 15.1 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 775 | L | 29.1 | Very low | 27.7 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 59.4 | 155.4 | 140.4 | -59.8 | 168.3 | 0 | 0 | 0 | 122.4 | ||||
| 776 | I | 30.6 | Very low | 27.7 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | cis | -164.2 | 153.1 | -39.6 | -134.6 | -170.8 | 0 | 0 | 0 | 112.3 | ||||
| 777 | T | 27.5 | Very low | 27.8 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | 44 | 164.8 | 158.3 | 69.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 778 | S | 30.1 | Very low | 27.3 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | 70 | 127.5 | 150.3 | 40.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 779 | E | 24.3 | Very low | 27.2 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | cis | 79.9 | 120.4 | 39.9 | -65.9 | -144.7 | 120.6 | 0 | 0 | 115.9 | ||||
| 780 | K | 23 | Very low | 27 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | 43.4 | 157.9 | 126.1 | -94.3 | -166.2 | 172.4 | -175.1 | 0 | 121.7 | |||||
| 781 | P | 36.4 | Very low | 26.9 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | -133.7 | -160.6 | -119.3 | 34.3 | -11 | 0 | 0 | 0 | 114.7 | |||||
| 782 | V | 22.6 | Very low | 27 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 90.8 | 96.2 | 161 | -165.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 783 | S | 25.2 | Very low | 27 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -161.4 | 120.5 | 131.7 | 57.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 784 | G | 28.4 | Very low | 26.7 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | 116.5 | 142.7 | 60.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 785 | Q | 27.3 | Very low | 26.3 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | cis | -136.7 | 127 | 6.7 | -64.5 | -177.1 | 2.7 | 0 | 0 | 108.6 | ||||
| 786 | K | 23.9 | Very low | 26.1 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | 57.3 | 102.3 | 95.3 | -78.7 | -170.9 | 172.6 | -176.9 | 0 | 116.7 | |||||
| 787 | K | 27.1 | Very low | 26 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | 162.7 | 156 | 127 | -90.3 | 170.7 | -179.1 | -178.1 | 0 | 110.3 | |||||
| 788 | S | 22.2 | Very low | 25.9 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | cis | -178.8 | 140.3 | -41.6 | 48.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 789 | F | 23.1 | Very low | 25.9 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 65.5 | 128.3 | 167.2 | -68.6 | -75 | 0 | 0 | 0 | 120.2 | ||||
| 790 | D | 23.5 | Very low | 26 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 49.7 | -178.4 | 136.6 | -55.9 | -24 | 0 | 0 | 0 | 122.2 | ||||
| 791 | I | 23.5 | Very low | 26.2 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 69.6 | 95.4 | 161 | -62.1 | 163.9 | 0 | 0 | 0 | 115 | ||||
| 792 | K | 32.6 | Very low | 26 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | trans | -53.8 | 138.6 | 131.7 | -73.8 | -178.1 | 178.7 | -179.4 | 0 | 106 | ||||
| 793 | P | 27.1 | Very low | 26.6 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | -161.8 | -178.1 | 65.8 | 46.3 | -24.9 | 0 | 0 | 0 | 117.7 | |||||
| 794 | I | 22.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | 59.8 | 117.7 | 127.4 | -78.7 | 170.3 | 0 | 0 | 0 | 121.8 | |||||
| 795 | K | 23.3 | Very low | 26.8 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 65.4 | 164.1 | 130.4 | -66 | -172.6 | -158.5 | 178.3 | 0 | 120 | ||||
| 796 | S | 24 | Very low | 27.2 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | cis | -171.9 | 137 | -29.4 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 797 | A | 28.8 | Very low | 27.6 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -156.2 | 119.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 798 | V | 25 | Very low | 27.5 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | cis | 80.3 | 143.1 | 34.7 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 799 | V | 30.5 | Very low | 27.8 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | 74.8 | 91.4 | -167.5 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 800 | T | 26.5 | Very low | 28.1 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | cis | 79.1 | 147.2 | 46.7 | 77.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 801 | S | 27 | Very low | 28.2 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 63.7 | 125.7 | 158.4 | 46.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 802 | E | 32.3 | Very low | 28.3 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -54.9 | 145.7 | 165.6 | -61.2 | 146.3 | 129.3 | 0 | 0 | 111.5 | ||||
| 803 | P | 35.9 | Very low | 28.5 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | -107.8 | 123.6 | 129.2 | 30.7 | -30.6 | 0 | 0 | 0 | 109.6 | |||||
| 804 | E | 26.1 | Very low | 28.6 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -60.8 | 165.9 | 174.2 | -58 | 179.3 | 103.5 | 0 | 0 | 112.8 | ||||
| 805 | I | 31.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 67.2 | 111.4 | 159.1 | -59.4 | 144.6 | 0 | 0 | 0 | 114.5 | ||
| 806 | S | 34.1 | Very low | 29.1 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -154.8 | 33.7 | 2.5 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 807 | L | 33.1 | Very low | 29.2 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -141.5 | 147 | -154.1 | -76.2 | 157.1 | 0 | 0 | 0 | 114.3 | ||||
| 808 | L | 25.4 | Very low | 29.2 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 15.1 | 129.4 | 143.7 | -59.5 | 167.7 | 0 | 0 | 0 | 119.8 | ||||
| 809 | S | 27.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | 174.7 | -147.7 | 110.3 | 58.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 810 | K | 29.2 | Very low | 29.6 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -135.9 | 152.2 | -154.6 | -61.2 | 176.4 | 179.7 | 175.2 | 0 | 115 | ||||
| 811 | S | 26 | Very low | 29.8 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 75 | 129.8 | 141.4 | 52.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 812 | L | 25.6 | Very low | 29.9 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | 79.5 | 157.5 | 154.4 | -87.4 | 80.2 | 0 | 0 | 0 | 121.5 | ||||
| 813 | P | 37.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -133.6 | 173.1 | -157.7 | 44 | -27.8 | 0 | 0 | 0 | 117.8 | ||||
| 814 | G | 27.7 | Very low | 29.3 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 168 | 112.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 815 | V | 28.7 | Very low | 29.4 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 96% | 0.964 | 79% | 0.787 | S | S | * | * | trans | 46.6 | 125.9 | 142.5 | -171.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 816 | G | 27.3 | Very low | 29.1 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 167.2 | 121 | 150.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 817 | A | 27.2 | Very low | 28.8 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -148.6 | 112.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 818 | E | 27.5 | Very low | 28.5 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -172.2 | 155.5 | 148.9 | -109.7 | 169.1 | -159.3 | 0 | 0 | 110 | ||||
| 819 | N | 33.9 | Very low | 28.5 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -40.4 | 158.6 | -177.7 | -75.7 | -33.3 | 0 | 0 | 0 | 117.2 | ||||
| 820 | P | 32 | Very low | 28.7 | Very low | 93 Ų | 93 | 136 Ų | 136 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | cis | -150.7 | 171.6 | 40.9 | 40.7 | -19.7 | 0 | 0 | 0 | 119.5 | ||||
| 821 | Y | 29.3 | Very low | 28.8 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | 165.8 | 147.7 | 117.6 | -87.3 | -60.2 | 0 | 0 | 0 | 113.8 | |||||
| 822 | H | 28.7 | Very low | 28.7 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 16.3 | 120.5 | 169.2 | -67.8 | -81.8 | 0 | 0 | 0 | 121.4 | ||||
| 823 | M | 25.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | 68.9 | 128.6 | 70.4 | -83.6 | -86 | 165.2 | 0 | 0 | 113.9 | A825 | M823-A825 HydrophobicContact SD-CB 4.3Š| |||
| 824 | P | 30.7 | Very low | 28.2 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -126.1 | 167.9 | 72 | 40.5 | -34.2 | 0 | 0 | 0 | 116.5 | |||||
| 825 | A | 28.4 | Very low | 28.2 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 55% | 0.554 | 78% | 0.781 | S | S | * | * | trans | -85 | 179.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | M823 | M823-A825 HydrophobicContact SD-CB 4.3Š| ||
| 826 | D | 24.4 | Very low | 28 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | cis | -159.7 | -172.9 | 12.7 | -143.8 | -33.5 | 0 | 0 | 0 | 109.9 | ||||
| 827 | F | 28.1 | Very low | 27.9 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 77% | 0.768 | 77% | 0.77 | S | S | * | * | trans | 80.9 | 115.6 | 166.4 | -70.6 | -82.4 | 0 | 0 | 0 | 121.6 | ||||
| 828 | T | 27.2 | Very low | 27.9 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | 41 | 136.2 | 129.5 | 62.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 829 | N | 26 | Very low | 27.9 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | -154.1 | 164 | 0.8 | -74.6 | -40.8 | 0 | 0 | 0 | 108.5 | ||||
| 830 | D | 31.9 | Very low | 27.5 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 162 | 144.8 | 119.9 | -84.8 | -17.8 | 0 | 0 | 0 | 111.8 | |||||
| 831 | P | 30.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -130.7 | 96.8 | -139.6 | 35.1 | -15.2 | 0 | 0 | 0 | 115.5 | L833 | P831-L833 VanDerWaalsContact C-N 3.34Š| ||
| 832 | D | 23.6 | Very low | 27.1 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -96.5 | 48.8 | 161.1 | -106.5 | -25 | 0 | 0 | 0 | 111.3 | ||
| 833 | L | 27.3 | Very low | 27 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -160.8 | 101.2 | 163.5 | -144.6 | 81.7 | 0 | 0 | 0 | 113.8 | P831 | P831-L833 VanDerWaalsContact C-N 3.34Š| ||
| 834 | L | 25.7 | Very low | 26.8 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -167.8 | 153.4 | 144 | -112.5 | 175.1 | 0 | 0 | 0 | 112.2 | ||||
| 835 | L | 28.7 | Very low | 27 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | trans | 68.6 | 51.1 | 168.6 | -56.6 | -176.9 | 0 | 0 | 0 | 119.2 | S837 | L835-S837 PolarHBondContact O-N 2.82Š| ||
| 836 | S | 23.7 | Very low | 27 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -77.5 | 58.4 | 141.5 | 49 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 837 | S | 26.1 | Very low | 27.1 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -169.3 | 80 | 170 | -84.3 | 0 | 0 | 0 | 0 | 114 | L835 | L835-S837 PolarHBondContact O-N 2.82Š| ||
| 838 | L | 27.2 | Very low | 27 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | 168.5 | 94.4 | 159.6 | -98 | 169.1 | 0 | 0 | 0 | 105.3 | ||||
| 839 | S | 26 | Very low | 26.8 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | cis | 72.3 | 117.3 | 29.5 | 94.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 840 | K | 26.4 | Very low | 26.8 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | 79 | 121.2 | -156.3 | -55.5 | 170 | -178.8 | 177.2 | 0 | 111.8 | ||||
| 841 | L | 26 | Very low | 26.6 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | cis | -141.6 | 128.2 | 7.1 | -78.2 | 173.3 | 0 | 0 | 0 | 108.7 | ||||
| 842 | S | 26.5 | Very low | 26.5 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | 67 | 114.5 | 95.3 | 80.6 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 843 | C | 27 | Very low | 26.7 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 43.9 | 110.8 | 140.1 | -55 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 844 | D | 22.3 | Very low | 26.7 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | 8.6 | 159.4 | 114.4 | -79.9 | -42.2 | 0 | 0 | 0 | 121.4 | |||||
| 845 | P | 34.9 | Very low | 26.7 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | cis | -138.4 | -157.8 | -8.7 | 35.1 | -12.2 | 0 | 0 | 0 | 114.5 | ||||
| 846 | C | 28 | Very low | 26.7 | Very low | 105 Ų | 105 | 136 Ų | 136 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | trans | 86.8 | 108 | 172.1 | -60.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 847 | L | 27.4 | Very low | 26.8 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | 81.6 | 128.7 | 83.9 | -75.6 | 166.8 | 0 | 0 | 0 | 112.6 | |||||
| 848 | G | 24.5 | Very low | 26.8 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | -165.7 | -171.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 849 | D | 23.6 | Very low | 26.7 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | 49.3 | 94.1 | 164 | -58.2 | -9.2 | 0 | 0 | 0 | 119.6 | ||||
| 850 | N | 25.7 | Very low | 26.8 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | -162.6 | 42.9 | 137.7 | -109.4 | -71.9 | 0 | 0 | 0 | 112.3 | W852 | N850-W852 PolarHBondContact O-N 3.01Š| ||
| 851 | S | 28.2 | Very low | 26.8 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | -68.6 | 115.4 | 169 | 48.4 | 0 | 0 | 0 | 0 | 110 | D853 | S851-D853 VanDerWaalsContact C-N 3.35Å; S851-D853 PolarHBondContact O-N 3.22Å | ||
| 852 | W | 27.2 | Very low | 26.7 | Very low | 239 Ų | 239 | 135.2 Ų | 135.2 | 91% | 0.905 | 74% | 0.74 | S | S | * | * | trans | -68.9 | 94.2 | 170.3 | -83.7 | 43.7 | 0 | 0 | 0 | 109.3 | N850 | N850-W852 PolarHBondContact O-N 3.01Š| ||
| 853 | D | 27.4 | Very low | 26.6 | Very low | 107 Ų | 107 | 139 Ų | 139 | 57% | 0.572 | 75% | 0.746 | S | S | * | * | trans | -70.8 | 129.3 | -170 | -164.3 | 16.6 | 0 | 0 | 0 | 111.7 | S851 N855 | S851-D853 VanDerWaalsContact C-N 3.35Å; S851-D853 PolarHBondContact O-N 3.22Å; D853-N855 VanDerWaalsContact CG-ND2 3.25Å; D853-N855 PolarHBondContact O-N 2.79Å; D853-N855 VanDerWaalsContact O-N 3.17Å; D853-N855 PolarHBondContact OD1-ND2 2.64Å; D853-N855 PolarHBondContact OD2-ND2 2.72Å | ||
| 854 | Q | 27.5 | Very low | 26.6 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -79 | 4.4 | -173.2 | -69.4 | -170.8 | -22.3 | 0 | 0 | 113.4 | Y856 | Q854-Y856 PolarHBondContact O-N 3.13Š|
| 855 | N | 26.7 | Very low | 26.8 | Very low | 90 Ų | 90 | 140.2 Ų | 140.2 | 48% | 0.481 | 74% | 0.744 | S | S | . | * | G | 310 helix | trans | -70.1 | -9.9 | 175.6 | -65.9 | -36.2 | 0 | 0 | 0 | 114 | D853 F857 S858 | D853-N855 VanDerWaalsContact CG-ND2 3.25Å; D853-N855 PolarHBondContact O-N 2.79Å; D853-N855 VanDerWaalsContact O-N 3.17Å; D853-N855 PolarHBondContact OD1-ND2 2.64Å; D853-N855 PolarHBondContact OD2-ND2 2.72Å; N855-F857 PolarHBondContact O-N 3.31Å; N855-S858 PolarHBondContact O-N 2.9Å |
| 856 | Y | 28.2 | Very low | 26.2 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -63.5 | 5.5 | -179.5 | -149.6 | -92 | 0 | 0 | 0 | 115.7 | Q854 | Q854-Y856 PolarHBondContact O-N 3.13Š|
| 857 | F | 26.6 | Very low | 26 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -138.3 | 38.1 | 175.4 | -86.8 | -77.4 | 0 | 0 | 0 | 113.1 | N855 | N855-F857 PolarHBondContact O-N 3.31Š|
| 858 | S | 25.9 | Very low | 25.8 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | -30 | 173.2 | -69.3 | 0 | 0 | 0 | 0 | 115.7 | N855 V860 | N855-S858 PolarHBondContact O-N 2.9Å; S858-V860 PolarHBondContact O-N 3.22Å |
| 859 | D | 25.3 | Very low | 25.8 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 66 | -171.7 | -61.1 | -53 | 0 | 0 | 0 | 114.1 | ||
| 860 | V | 27.2 | Very low | 25.8 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -3.1 | 177.8 | -172 | 0 | 0 | 0 | 0 | 113.5 | S858 | S858-V860 PolarHBondContact O-N 3.22Š|
| 861 | E | 26.3 | Very low | 25.8 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -105.8 | 9.7 | 176.7 | -66.3 | -169.1 | 149.1 | 0 | 0 | 113.9 | ||
| 862 | S | 24.9 | Very low | 25.7 | Very low | 77 Ų | 77 | 141 Ų | 141 | 54% | 0.538 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -110.3 | -18.5 | -171.2 | 37.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 863 | E | 24 | Very low | 25.6 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -89.7 | -2.4 | -172.2 | -73.2 | -153.5 | 129.7 | 0 | 0 | 116.7 | ||
| 864 | Y | 27.7 | Very low | 25.5 | Very low | 209 Ų | 209 | 132.6 Ų | 132.6 | 82% | 0.82 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -92 | 1.7 | -179.4 | -84.7 | -79.4 | 0 | 0 | 0 | 115.6 | A866 | Y864-A866 VanDerWaalsContact C-N 3.34Å; Y864-A866 PolarHBondContact O-N 2.82Å |
| 865 | A | 24.9 | Very low | 25.5 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -81.1 | -7.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L867 | A865-L867 PolarHBondContact O-N 3.17Š|
| 866 | A | 22.8 | Very low | 25.3 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 52.3 | -166 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y864 | Y864-A866 VanDerWaalsContact C-N 3.34Å; Y864-A866 PolarHBondContact O-N 2.82Å |
| 867 | L | 23.6 | Very low | 25.2 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.7 | 13.9 | 167.1 | -115.8 | 177.2 | 0 | 0 | 0 | 117.4 | A865 L869 | A865-L867 PolarHBondContact O-N 3.17Å; L867-L869 PolarHBondContact O-N 3.1Å |
| 868 | E | 23.6 | Very low | 25.1 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -99.6 | 50.4 | 176 | -73.8 | -166.8 | 169.6 | 0 | 0 | 114.4 | Q1225 | E868-Q1225 PolarHBondContact OE1-NE2 3.31Å; E868-Q1225 PolarHBondContact OE2-NE2 3.28Å | ||
| 869 | L | 23.6 | Very low | 25.2 | Very low | 149 Ų | 149 | 134 Ų | 134 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | trans | -106.5 | 89.3 | 151.4 | -79.3 | 174.2 | 0 | 0 | 0 | 108.8 | L867 | L867-L869 PolarHBondContact O-N 3.1Š| ||
| 870 | I | 25.1 | Very low | 25.4 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 70% | 0.697 | 70% | 0.701 | S | S | * | * | trans | -172 | 133.2 | 147.2 | -99.1 | 149.9 | 0 | 0 | 0 | 109.2 | ||||
| 871 | L | 25.6 | Very low | 25.3 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 30% | 0.304 | 71% | 0.711 | S | S | . | * | trans | -62.7 | 148 | 173.8 | -68.1 | 138.9 | 0 | 0 | 0 | 110.5 | I873 T1508 I1513 | L871-I873 HydrophobicContact CB-CG1 4.2Å; L871-I873 PolarHBondContact O-N 3.19Å; L871-T1508 HydrophobicContact CD1-CG2 3.44Å; L871-T1508 VanDerWaalsContact CD1-CG2 3.44Å; L871-I1513 HydrophobicContact CD1-CD1 4.01Å; L871-I1513 HydrophobicContact CD1-CG1 4.23Å; L871-I1513 HydrophobicContact CD1-CG2 4.04Å; L871-I1513 HydrophobicContact CG-CD1 4.4Å | ||
| 872 | P | 25 | Very low | 25.4 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | trans | -71.3 | 69.8 | 165.2 | 31.8 | -34.8 | 0 | 0 | 0 | 110.1 | P874 | P872-P874 WeakPolarHBondContact O-CD 3.31Š| ||
| 873 | I | 26.5 | Very low | 25.5 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 47% | 0.472 | 70% | 0.703 | S | S | . | * | trans | -61.5 | 121.8 | 165.2 | -53.3 | 174 | 0 | 0 | 0 | 106.1 | L871 K875 T1508 | L871-I873 HydrophobicContact CB-CG1 4.2Å; L871-I873 PolarHBondContact O-N 3.19Å; I873-K875 PolarHBondContact O-N 3.47Å; I873-T1508 HydrophobicContact CD1-CG2 3.82Å; I873-T1508 HydrophobicContact CG1-CG2 4.4Å | ||
| 874 | P | 24.8 | Very low | 25.8 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 51% | 0.506 | 71% | 0.707 | S | S | . | * | trans | -64.2 | 110.9 | 169.7 | 26.9 | -32 | 0 | 0 | 0 | 107.5 | P872 R876 F1790 | P872-P874 WeakPolarHBondContact O-CD 3.31Å; P874-R876 PolarHBondContact O-N 3.17Å; P874-F1790 HydrophobicContact CB-CE1 4.3Å; P874-F1790 HydrophobicContact CB-CE2 4.33Å; P874-F1790 HydrophobicContact CB-CZ 3.58Å; P874-F1790 HydrophobicContact CG-CE2 4.14Å; P874-F1790 HydrophobicContact CG-CZ 3.68Å | ||
| 875 | K | 26.7 | Very low | 25.7 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | -58.5 | 110.8 | 177.6 | -80.9 | -171.9 | 172.5 | -172.6 | 0 | 109.3 | I873 E877 | I873-K875 PolarHBondContact O-N 3.47Å; K875-E877 PolarHBondContact O-N 3.11Å | ||
| 876 | R | 23.4 | Very low | 25.9 | Very low | 191 Ų | 191 | 130.3 Ų | 130.3 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | trans | -66.6 | 84.4 | 157.9 | -78.5 | -177.4 | 167.3 | -178.8 | -4.5 | 108.4 | P874 S878 H1573 | P874-R876 PolarHBondContact O-N 3.17Å; R876-S878 PolarHBondContact O-N 3.15Å; R876-H1573 PolarHBondContact NE-NE2 3.48Å; R876-H1573 PolarHBondContact NH1-NE2 3.36Å; R876-H1573 PolarHBondContact NH2-NE2 2.59Å | ||
| 877 | E | 26.1 | Very low | 26.2 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -78.5 | 70.1 | 153.1 | -74.6 | 179.5 | -163.3 | 0 | 0 | 107.5 | K875 L879 | K875-E877 PolarHBondContact O-N 3.11Å; E877-L879 PolarHBondContact O-N 3.29Å; E877-L879 VanDerWaalsContact O-N 3.09Å | ||
| 878 | S | 24.4 | Very low | 26.4 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | trans | -72.4 | 93.8 | 168.3 | 52 | 0 | 0 | 0 | 0 | 108.4 | R876 T880 | R876-S878 PolarHBondContact O-N 3.15Å; S878-T880 PolarHBondContact O-N 3.44Å | ||
| 879 | L | 28 | Very low | 26.5 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 91% | 0.906 | 69% | 0.687 | S | S | * | * | trans | -85.3 | 98.2 | 154.9 | -73 | 177.9 | 0 | 0 | 0 | 107.7 | E877 E881 | E877-L879 PolarHBondContact O-N 3.29Å; E877-L879 VanDerWaalsContact O-N 3.09Å; L879-E881 PolarHBondContact O-N 2.7Å; L879-E881 VanDerWaalsContact O-N 3.14Å | ||
| 880 | T | 30.1 | Very low | 26.7 | Very low | 81 Ų | 81 | 131 Ų | 131 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | trans | -61.4 | 105 | 163.9 | 25.8 | 0 | 0 | 0 | 0 | 108.6 | S878 A882 E883 | S878-T880 PolarHBondContact O-N 3.44Å; T880-A882 PolarHBondContact O-N 3.45Å; T880-E883 VanDerWaalsContact CB-OE2 3.28Å; T880-E883 WeakPolarHBondContact CB-OE2 3.31Å; T880-E883 PolarHBondContact OG1-OE2 2.91Å | ||
| 881 | E | 25.1 | Very low | 26.8 | Very low | 208 Ų | 208 | 132.4 Ų | 132.4 | 97% | 0.972 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 41 | 174.9 | -158.6 | 167 | -144.7 | 0 | 0 | 111.3 | L879 | L879-E881 PolarHBondContact O-N 2.7Å; L879-E881 VanDerWaalsContact O-N 3.14Å |
| 882 | A | 26.5 | Very low | 26.8 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 63% | 0.628 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.5 | -4.2 | -165 | 0 | 0 | 0 | 0 | 0 | 114.5 | T880 | T880-A882 PolarHBondContact O-N 3.45Š|
| 883 | E | 28.7 | Very low | 27 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -116.9 | 29.7 | -177.3 | -69.8 | 173.2 | 118.9 | 0 | 0 | 112.8 | T880 | T880-E883 VanDerWaalsContact CB-OE2 3.28Å; T880-E883 WeakPolarHBondContact CB-OE2 3.31Å; T880-E883 PolarHBondContact OG1-OE2 2.91Å |
| 884 | I | 28.7 | Very low | 26.9 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 91% | 0.908 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -122.9 | 46.5 | 162.8 | -44.5 | -177.5 | 0 | 0 | 0 | 109.1 | ||
| 885 | A | 26.1 | Very low | 27.1 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -144.9 | 119.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||
| 886 | L | 29.7 | Very low | 27.3 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 66 | 121.7 | -153.4 | -44.5 | 170.4 | 0 | 0 | 0 | 110.8 | ||
| 887 | E | 29.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 65% | 0.654 | 74% | 0.738 | S | S | * | * | cis | -134.2 | 118.5 | 3.4 | -163.5 | 78.4 | 144.3 | 0 | 0 | 111.1 | ||||
| 888 | L | 26.7 | Very low | 28 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 94% | 0.942 | 74% | 0.735 | S | S | * | * | trans | -135.4 | 39.2 | 162.2 | -135.6 | -179.5 | 0 | 0 | 0 | 110.2 | ||||
| 889 | D | 25.8 | Very low | 28.3 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 46% | 0.455 | 74% | 0.739 | S | S | . | * | trans | -104.3 | 133.7 | 161.1 | -174.9 | 12.6 | 0 | 0 | 0 | 108.5 | ||||
| 890 | K | 28.6 | Very low | 28.2 | Very low | 164 Ų | 164 | 136 Ų | 136 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 49.2 | 125 | -172 | -58.3 | 112.3 | -168.9 | 168.5 | 0 | 116 | ||||
| 891 | K | 26.9 | Very low | 28 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | -128.6 | 116.5 | 33.9 | -72.5 | -171.1 | 177.4 | -176.8 | 0 | 114.4 | E894 | K891-E894 HydrophobicContact CD-CG 4.49Š| ||
| 892 | L | 26.5 | Very low | 28.1 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -68 | 148.3 | 131 | -118.1 | 164.6 | 0 | 0 | 0 | 108.3 | ||
| 893 | S | 28.4 | Very low | 28 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | 58 | 108.9 | 179.4 | 57 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 894 | E | 25.1 | Very low | 27.9 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -99.4 | 128.8 | 139.9 | -69.8 | -166 | 126.2 | 0 | 0 | 108.9 | K891 | K891-E894 HydrophobicContact CD-CG 4.49Š| ||
| 895 | A | 29.4 | Very low | 27.8 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -151.6 | 152.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 896 | I | 29.3 | Very low | 27.7 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | trans | -135.1 | 152.5 | -157.6 | -64.3 | 171.3 | 0 | 0 | 0 | 107.8 | ||||
| 897 | P | 37.4 | Very low | 27.7 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | cis | -125.5 | -172.6 | -7.9 | 28.8 | -6.4 | 0 | 0 | 0 | 114.1 | ||||
| 898 | D | 28.2 | Very low | 27.7 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | 136.4 | 137.5 | 112.1 | -114.8 | -26.1 | 0 | 0 | 0 | 120.3 | |||||
| 899 | Q | 30.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | 45.5 | 105.7 | 153.3 | -77.4 | 162.3 | 72.4 | 0 | 0 | 125.6 | ||||
| 900 | V | 25.4 | Very low | 28.1 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | 57.4 | 115.8 | 112 | 178.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 901 | S | 25.2 | Very low | 28 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | trans | 76.6 | 158.3 | 146.6 | -158.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 902 | G | 27.2 | Very low | 28 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 108.9 | 113.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 903 | A | 25.5 | Very low | 27.9 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -119.7 | 113.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 904 | F | 26 | Very low | 27.8 | Very low | 208 Ų | 208 | 129.8 Ų | 129.8 | 91% | 0.912 | 75% | 0.754 | S | S | * | * | trans | -167.4 | 144.1 | 162.1 | -97 | -87.7 | 0 | 0 | 0 | 105.2 | ||||
| 905 | V | 27.2 | Very low | 27.8 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 61% | 0.606 | 75% | 0.748 | S | S | * | * | cis | 175.5 | 140.1 | -10.9 | 123.9 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 906 | N | 24.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 62.5 | 165.2 | 177.1 | -55 | -21.1 | 0 | 0 | 0 | 114.1 | ||||
| 907 | I | 28.4 | Very low | 27.8 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | cis | -143 | 134.1 | 28.6 | -75.6 | 175.7 | 0 | 0 | 0 | 111.2 | ||||
| 908 | I | 29.6 | Very low | 27.4 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 57.3 | 132.8 | 155.7 | -62.2 | 166.1 | 0 | 0 | 0 | 120.4 | ||||
| 909 | N | 29.6 | Very low | 27.4 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -125.3 | 130.1 | 150.5 | -175.8 | 15.9 | 0 | 0 | 0 | 105.8 | ||||
| 910 | P | 32.4 | Very low | 27.4 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | -154.9 | 153.6 | 103.6 | 40 | -21.5 | 0 | 0 | 0 | 118.1 | |||||
| 911 | N | 25.3 | Very low | 27.6 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | trans | 20.1 | 129.6 | 138 | -55 | -5.2 | 0 | 0 | 0 | 122.7 | ||||
| 912 | T | 26.9 | Very low | 27.8 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | 58.3 | 141.4 | 135.4 | 62.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 913 | S | 24.6 | Very low | 27.9 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -168.7 | 177.8 | 40.9 | 60 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 914 | L | 26 | Very low | 27.9 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 55 | 109.3 | 150.4 | -103.6 | 65.6 | 0 | 0 | 0 | 123.9 | ||||
| 915 | A | 25.8 | Very low | 28 | Very low | 81 Ų | 81 | 126 Ų | 126 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | 46.9 | 142.3 | 116.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 916 | N | 29.7 | Very low | 27.7 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | -174.6 | 131.9 | 120.1 | -101.4 | -53.6 | 0 | 0 | 0 | 114.1 | |||||
| 917 | N | 29.1 | Very low | 28.3 | Very low | 146 Ų | 146 | 128 Ų | 128 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 62.7 | 161.7 | 145.6 | -58.3 | -27.8 | 0 | 0 | 0 | 118.4 | ||||
| 918 | A | 28.7 | Very low | 28 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | cis | -173.2 | 165.3 | -14.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 919 | V | 29.3 | Very low | 27.8 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | cis | -166.1 | 163.5 | -8.8 | 128.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 920 | S | 29.3 | Very low | 27.5 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 71.8 | 154.2 | 169.4 | 81.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 921 | S | 29.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | -165 | 158 | -23.2 | 52.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 922 | G | 28.7 | Very low | 27.1 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | 174.7 | -176.4 | -4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 923 | K | 29.6 | Very low | 26.9 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | 76.1 | 110.9 | -177.7 | -57.1 | -179.7 | -179 | 178.9 | 0 | 114.5 | ||||
| 924 | C | 26.1 | Very low | 26.9 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 81.2 | 134.5 | 68.7 | -69.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 925 | L | 27.4 | Very low | 26.8 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | cis | -154.2 | 176.9 | 5.9 | -116.8 | 165.3 | 0 | 0 | 0 | 110.8 | ||||
| 926 | E | 20.8 | Very low | 27 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -105.9 | -152.1 | -176.7 | -151.6 | -161.7 | -145.5 | 0 | 0 | 112.6 | ||||
| 927 | P | 37.3 | Very low | 26.8 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | -111.6 | -178.4 | -125.6 | 40.2 | -23.8 | 0 | 0 | 0 | 116.1 | |||||
| 928 | G | 22.8 | Very low | 26.5 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | -164.5 | 164.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 929 | Y | 25.2 | Very low | 26.4 | Very low | 214 Ų | 214 | 135.5 Ų | 135.5 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -133.2 | 155.9 | -169 | -107.7 | -87.3 | 0 | 0 | 0 | 112.9 | ||||
| 930 | F | 22.6 | Very low | 26.1 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 64.4 | 131.6 | 158.6 | -80.5 | -65.3 | 0 | 0 | 0 | 121.5 | ||||
| 931 | S | 24.8 | Very low | 26 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | 35.8 | 144.7 | 125.6 | -71.5 | 0 | 0 | 0 | 0 | 122 | |||||
| 932 | D | 23.7 | Very low | 25.7 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | -164.2 | -176.1 | 8.5 | -110 | -1.5 | 0 | 0 | 0 | 111.6 | ||||
| 933 | T | 24.3 | Very low | 25.5 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | 74.3 | 116.2 | 158.3 | 41.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 934 | E | 24.3 | Very low | 25.1 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -43.3 | 151.9 | 157.1 | -47.5 | 167.8 | 121.1 | 0 | 0 | 115.5 | ||||
| 935 | A | 23.7 | Very low | 25.5 | Very low | 87 Ų | 87 | 148.2 Ų | 148.2 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | -174.5 | 171.1 | 120.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 936 | I | 28.9 | Very low | 25.4 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 71 | 120.7 | 164.8 | -46.7 | -179.8 | 0 | 0 | 0 | 116.3 | ||||
| 937 | F | 26.6 | Very low | 25.7 | Very low | 179 Ų | 179 | 144 Ų | 144 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | cis | -160 | 145.5 | -26 | -127.6 | -74.2 | 0 | 0 | 0 | 108.4 | ||||
| 938 | S | 22.6 | Very low | 25.1 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | 15.4 | 132 | 157.4 | 62.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 939 | S | 27.4 | Very low | 25.8 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | -163.6 | 155.5 | 101 | -88.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 940 | Q | 22.7 | Very low | 25.8 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | -87 | 178.1 | -179.9 | -58.7 | 171.3 | -9 | 0 | 0 | 112.3 | ||||
| 941 | R | 26.7 | Very low | 25.9 | Very low | 217 Ų | 217 | 141.6 Ų | 141.6 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | trans | 88.1 | 151.6 | 156.9 | -59 | -179.3 | -168.8 | -172.8 | 5 | 117.1 | ||||
| 942 | K | 23.6 | Very low | 26 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -176.1 | 146.8 | -35.1 | -126.8 | 173.4 | 176.1 | 179.9 | 0 | 108.5 | ||||
| 943 | F | 23.5 | Very low | 26.1 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 63.2 | 125 | 168.1 | -61 | -65.4 | 0 | 0 | 0 | 117 | ||||
| 944 | K | 23.2 | Very low | 26.1 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | 58.6 | 151.5 | 74.9 | -95.5 | -166.7 | 175.6 | -174.3 | 0 | 114.7 | |||||
| 945 | P | 33.3 | Very low | 26.3 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -135.9 | -173.6 | -15.7 | 39.8 | -22.3 | 0 | 0 | 0 | 113.6 | ||||
| 946 | L | 24.5 | Very low | 26.4 | Very low | 157 Ų | 157 | 147 Ų | 147 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | -178.5 | 131.9 | 120.9 | -95.3 | 161 | 0 | 0 | 0 | 113.9 | |||||
| 947 | S | 27.6 | Very low | 26.2 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 24 | 122.4 | 152.1 | -46 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 948 | D | 24.8 | Very low | 26.1 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | 28.6 | 156.6 | 93.3 | -80.8 | -2.9 | 0 | 0 | 0 | 120.8 | |||||
| 949 | P | 38.1 | Very low | 26.3 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | cis | -144.8 | -164.3 | -35.7 | 38.8 | -18.6 | 0 | 0 | 0 | 113.5 | ||||
| 950 | N | 24.8 | Very low | 26.4 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 118.2 | 144.4 | 149.2 | -63.7 | -54.7 | 0 | 0 | 0 | 120.7 | ||||
| 951 | N | 25 | Very low | 26.7 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 60.8 | 93.1 | 153 | -75.6 | -31.9 | 0 | 0 | 0 | 121.5 | ||||
| 952 | C | 27.3 | Very low | 26.6 | Very low | 128 Ų | 128 | 135 Ų | 135 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | -171.9 | 105.3 | 113.6 | -92.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 953 | K | 25.7 | Very low | 26.7 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | 68 | 114 | 87.5 | -97.3 | -174.4 | 177.2 | 176.3 | 0 | 116.6 | |||||
| 954 | L | 24.2 | Very low | 26.9 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | 77 | 150.1 | 155.6 | -54.4 | 170.8 | 0 | 0 | 0 | 118.2 | ||||
| 955 | P | 28 | Very low | 26.8 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | cis | -137.3 | 140.6 | -40.4 | 35.9 | -20.2 | 0 | 0 | 0 | 113.7 | A957 | P955-A957 PolarHBondContact O-N 3.36Š| ||
| 956 | I | 25.3 | Very low | 26.3 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -84.2 | 104.3 | 167 | -63.3 | 177.6 | 0 | 0 | 0 | 109 | S958 | I956-S958 PolarHBondContact O-N 3.21Å; I956-S958 VanDerWaalsContact O-N 3.16Å | ||
| 957 | A | 25.9 | Very low | 26.4 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -80.6 | 87.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P955 V959 | P955-A957 PolarHBondContact O-N 3.36Å; A957-V959 VanDerWaalsContact C-N 3.31Å; A957-V959 HydrophobicContact CB-CG2 4.34Å; A957-V959 PolarHBondContact O-N 3.42Å | ||
| 958 | S | 24.6 | Very low | 26.2 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -74.7 | 83.8 | 169.6 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | I956 A960 | I956-S958 PolarHBondContact O-N 3.21Å; I956-S958 VanDerWaalsContact O-N 3.16Å; S958-A960 PolarHBondContact O-N 2.85Å | ||
| 959 | V | 27.2 | Very low | 26.3 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -85.8 | 95.8 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | A957 | A957-V959 VanDerWaalsContact C-N 3.31Å; A957-V959 HydrophobicContact CB-CG2 4.34Å; A957-V959 PolarHBondContact O-N 3.42Å | ||
| 960 | A | 28 | Very low | 25.5 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | trans | -66.6 | 144.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S958 I962 | S958-A960 PolarHBondContact O-N 2.85Å; A960-I962 PolarHBondContact O-N 3.22Å | ||
| 961 | P | 30.2 | Very low | 25.6 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -66.5 | 109 | 177.9 | -19.3 | 32.2 | 0 | 0 | 0 | 111.5 | M963 | P961-M963 VanDerWaalsContact C-N 3.33Å; P961-M963 PolarHBondContact O-N 2.88Å; P961-M963 VanDerWaalsContact O-N 3.11Å | ||
| 962 | I | 24.5 | Very low | 25.5 | Very low | 160 Ų | 160 | 131 Ų | 131 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | -79.9 | 89 | 164.4 | -59.4 | -179.6 | 0 | 0 | 0 | 107.4 | A960 | A960-I962 PolarHBondContact O-N 3.22Š| ||
| 963 | M | 25.8 | Very low | 25.4 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -100.9 | 149.2 | 159.6 | -76.5 | -177.6 | 66.3 | 0 | 0 | 109.8 | P961 | P961-M963 VanDerWaalsContact C-N 3.33Å; P961-M963 PolarHBondContact O-N 2.88Å; P961-M963 VanDerWaalsContact O-N 3.11Å | ||
| 964 | S | 26.4 | Very low | 25.4 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | 56.5 | 75.4 | 151.4 | -173.4 | 0 | 0 | 0 | 0 | 116.9 | Q966 | S964-Q966 PolarHBondContact O-N 3.35Å; S964-Q966 WeakPolarHBondContact OG-CB 3.3Å | ||
| 965 | T | 22 | Very low | 25.3 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 93% | 0.926 | 73% | 0.732 | S | S | * | * | trans | -65.6 | 85.8 | 140 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 966 | Q | 23 | Very low | 25.3 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | trans | -109.9 | 158.8 | 162.6 | -93.6 | -90 | -33.7 | 0 | 0 | 109.2 | S964 | S964-Q966 PolarHBondContact O-N 3.35Å; S964-Q966 WeakPolarHBondContact OG-CB 3.3Å | ||
| 967 | P | 25 | Very low | 25.2 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | -74 | 178.1 | -157.9 | -21.3 | 35.1 | 0 | 0 | 0 | 115.9 | ||||
| 968 | A | 23.4 | Very low | 25.2 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | trans | -54.1 | 133 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F970 | A968-F970 PolarHBondContact O-N 3.02Š| ||
| 969 | P | 27.5 | Very low | 25.3 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | -68 | 104.6 | 162.4 | 28.8 | -31.2 | 0 | 0 | 0 | 107.7 | K971 | P969-K971 PolarHBondContact O-N 2.96Å; P969-K971 VanDerWaalsContact O-N 3.1Å | ||
| 970 | F | 22.5 | Very low | 25.1 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.6 | 165.3 | -89 | -102.3 | 0 | 0 | 0 | 108 | A968 | A968-F970 PolarHBondContact O-N 3.02Š|
| 971 | K | 25.8 | Very low | 24.8 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -104 | 130 | 162.6 | -166.3 | 175.1 | -175.6 | -178.8 | 0 | 106.8 | P969 V973 | P969-K971 PolarHBondContact O-N 2.96Å; P969-K971 VanDerWaalsContact O-N 3.1Å; K971-V973 PolarHBondContact O-N 3.27Å |
| 972 | N | 24.1 | Very low | 24.4 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 51% | 0.513 | 74% | 0.74 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 135 | -166 | -54.8 | -22.2 | 0 | 0 | 0 | 113.1 | G1243 | N972-G1243 PolarHBondContact ND2-O 3.16Š|
| 973 | V | 24.6 | Very low | 24.3 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | trans | -110.3 | 153.5 | 153 | -175.6 | 0 | 0 | 0 | 0 | 105.6 | K971 | K971-V973 PolarHBondContact O-N 3.27Š| ||
| 974 | L | 25.2 | Very low | 24.6 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | 68.6 | 82.1 | -175.4 | -55.6 | 109.2 | 0 | 0 | 0 | 115.1 | ||||
| 975 | D | 23.3 | Very low | 24.5 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 51% | 0.513 | 73% | 0.73 | S | S | . | * | -128.9 | 100.5 | 106.4 | -170.4 | 7.5 | 0 | 0 | 0 | 108.9 | N977 Q1245 | D975-N977 PolarHBondContact OD1-N 2.95Å; D975-N977 VanDerWaalsContact OD1-N 3.13Å; D975-N977 PolarHBondContact OD1-ND2 3.38Å; D975-Q1245 PolarHBondContact OD2-NE2 3Å | |||
| 976 | E | 26.5 | Very low | 24.7 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -139.5 | 82.8 | 139.6 | -133.4 | -169.8 | -150.2 | 0 | 0 | 108.1 | ||||
| 977 | N | 24 | Very low | 24.8 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 50% | 0.497 | 72% | 0.724 | S | S | . | * | trans | -38.7 | 131.9 | 137.7 | -80.4 | -85.1 | 0 | 0 | 0 | 109.6 | D975 | D975-N977 PolarHBondContact OD1-N 2.95Å; D975-N977 VanDerWaalsContact OD1-N 3.13Å; D975-N977 PolarHBondContact OD1-ND2 3.38Å | ||
| 978 | Q | 25.8 | Very low | 24.9 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 71% | 0.71 | 73% | 0.725 | S | S | * | * | cis | -165 | 165 | 13.5 | -95.1 | 148.6 | 26.3 | 0 | 0 | 109.4 | ||||
| 979 | K | 25.8 | Very low | 25.2 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | 173.3 | 126.1 | 129.1 | -92.9 | 147.4 | -165.7 | 163.1 | 0 | 108.3 | |||||
| 980 | R | 23.6 | Very low | 25.1 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | cis | -147.9 | 134.2 | 23.6 | -62.7 | -176.8 | -177.6 | 175.2 | -1.1 | 112.3 | ||||
| 981 | L | 21.3 | Very low | 25.5 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | S | Bend | -77.5 | 149.9 | 124.6 | -88.3 | 163.4 | 0 | 0 | 0 | 107.5 | |||
| 982 | F | 23.3 | Very low | 25.7 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | 65.3 | 83.2 | -172.8 | -56.8 | -75.3 | 0 | 0 | 0 | 116 | ||||
| 983 | A | 21.9 | Very low | 25.8 | Very low | 69 Ų | 69 | 144.9 Ų | 144.9 | 57% | 0.57 | 73% | 0.729 | S | S | * | * | -110.3 | 163.6 | 117.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 984 | P | 31.3 | Very low | 26 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | cis | -131.1 | 149.3 | -26.6 | 33.4 | -17.2 | 0 | 0 | 0 | 113.2 | ||||
| 985 | S | 23.8 | Very low | 26.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -124.7 | 97.4 | 156.2 | 60.3 | 0 | 0 | 0 | 0 | 109 | ||
| 986 | N | 27.8 | Very low | 26.2 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 53.6 | 112.9 | 168.4 | -51.5 | -28.1 | 0 | 0 | 0 | 116.1 | ||||
| 987 | L | 23.7 | Very low | 26.6 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | cis | 47.8 | 86.6 | 24 | -106.5 | -179.8 | 0 | 0 | 0 | 112.4 | ||||
| 988 | N | 28.4 | Very low | 26.5 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | -172.2 | 134.7 | 122.9 | -104.7 | -39.7 | 0 | 0 | 0 | 114.5 | |||||
| 989 | L | 28.2 | Very low | 26.5 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | 64.6 | 140.2 | 147.7 | -51.9 | 169.1 | 0 | 0 | 0 | 117.2 | ||||
| 990 | K | 27 | Very low | 26.3 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | cis | -162 | 133.1 | 3.7 | -131.1 | 164.1 | -180 | 174.7 | 0 | 109.7 | ||||
| 991 | K | 30.3 | Very low | 26.4 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 172.5 | 125.8 | 136.5 | -99.2 | 171.7 | 179.7 | -175.8 | 0 | 112.3 | ||||
| 992 | H | 29.1 | Very low | 26.8 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | trans | 49.1 | 111.3 | 163.3 | -53.9 | -67.4 | 0 | 0 | 0 | 118.2 | ||||
| 993 | E | 27.8 | Very low | 27 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | 76.5 | 113.8 | 67.9 | -68.1 | 153.9 | -158.5 | 0 | 0 | 111.5 | |||||
| 994 | L | 28 | Very low | 27.7 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | 73.9 | 128.8 | 53.7 | -60.8 | 164.8 | 0 | 0 | 0 | 112.7 | |||||
| 995 | S | 27.1 | Very low | 27.7 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | cis | -171.9 | 139.9 | -9.7 | 47.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 996 | S | 24.7 | Very low | 28 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | 65.9 | 171.1 | 163.9 | 83 | 0 | 0 | 0 | 0 | 118 | ||||
| 997 | P | 34.5 | Very low | 28 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | cis | -130.1 | -175.3 | -15.9 | 38.3 | -20.1 | 0 | 0 | 0 | 114.6 | ||||
| 998 | S | 23.4 | Very low | 28.2 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | 32.2 | 122.2 | 152.5 | 61.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 999 | Q | 24.7 | Very low | 28.3 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | 57.9 | 137.3 | 151 | -81.6 | -164.1 | 2.9 | 0 | 0 | 122.1 | ||||
| 1000 | C | 22 | Very low | 28.1 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 68% | 0.676 | 72% | 0.718 | S | S | * | * | trans | 65.6 | 132.3 | 153.5 | -74.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1001 | T | 25.2 | Very low | 28 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | 63 | 147.3 | 155.5 | 43.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1002 | S | 29.7 | Very low | 27.7 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | cis | -149.4 | 159.5 | -9.8 | 39.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1003 | K | 27.8 | Very low | 27.6 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 47% | 0.474 | 71% | 0.71 | S | S | . | * | 39.3 | 140.2 | 75.5 | -31.6 | 175.1 | -168.8 | 164.2 | 0 | 112.1 | M1007 | K1003-M1007 HydrophobicContact CD-CG 3.98Å; K1003-M1007 VanDerWaalsContact CE-CG 3.47Å | |||
| 1004 | I | 37.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | S | Bend | -148.5 | 120.5 | 68.4 | -88.9 | 156.7 | 0 | 0 | 0 | 107.4 | |||
| 1005 | D | 30.8 | Very low | 27.4 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | S | Bend | cis | -143 | 154.9 | 3.8 | -87.5 | -38.6 | 0 | 0 | 0 | 113.2 | ||
| 1006 | G | 30.7 | Very low | 27.6 | Very low | 50 Ų | 50 | 135.2 Ų | 135.2 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | cis | 170.5 | 143.9 | -8.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1007 | M | 28.2 | Very low | 27.9 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 67% | 0.665 | 72% | 0.722 | S | S | * | * | trans | 69.9 | 140.4 | 160.9 | -70.8 | 167.7 | 59.6 | 0 | 0 | 118.2 | K1003 | K1003-M1007 HydrophobicContact CD-CG 3.98Å; K1003-M1007 VanDerWaalsContact CE-CG 3.47Å | ||
| 1008 | M | 27.7 | Very low | 27.3 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | cis | -161 | 161.9 | 3.6 | -140.1 | -176 | 172.7 | 0 | 0 | 114.2 | ||||
| 1009 | Q | 28.9 | Very low | 27.4 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | 80.4 | 165.2 | 157.7 | -74.9 | 179.7 | -4.1 | 0 | 0 | 122 | ||||
| 1010 | M | 24.5 | Very low | 27.8 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 85% | 0.847 | 70% | 0.704 | S | S | * | * | trans | -157.6 | -177 | -145 | -112.6 | -83.1 | -79.3 | 0 | 0 | 114.1 | ||||
| 1011 | Q | 25.6 | Very low | 27.9 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -130.6 | 177.5 | -168.5 | -48.9 | 153.6 | -116.6 | 0 | 0 | 111.7 | ||||
| 1012 | E | 24.7 | Very low | 28 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | cis | -168.5 | -172.3 | -0.7 | -139.9 | 177.5 | -81.5 | 0 | 0 | 113.7 | ||||
| 1013 | I | 25.8 | Very low | 27.9 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 67% | 0.672 | 65% | 0.654 | S | S | * | * | trans | 96.1 | 131.1 | 140.1 | -87.2 | 161.6 | 0 | 0 | 0 | 123.6 | ||||
| 1014 | K | 23.3 | Very low | 27.8 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | trans | 80.2 | 110.5 | 153.8 | -90.1 | 165.4 | -175.9 | 174.7 | 0 | 124.6 | ||||
| 1015 | W | 28.2 | Very low | 27.4 | Very low | 215 Ų | 215 | 125.6 Ų | 125.6 | 81% | 0.814 | 63% | 0.632 | S | S | * | * | 32.6 | 147.5 | 129.1 | -65.6 | 92.2 | 0 | 0 | 0 | 122.1 | R1017 | W1015-R1017 HydrophobicContact CZ3-CG 4.46Š| |||
| 1016 | P | 31.8 | Very low | 27.2 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 81% | 0.812 | 62% | 0.617 | S | S | * | * | cis | -143.4 | -162.2 | 41.4 | 42.6 | -21.8 | 0 | 0 | 0 | 117 | ||||
| 1017 | R | 31.2 | Very low | 27.2 | Very low | 221 Ų | 221 | 122.8 Ų | 122.8 | 83% | 0.834 | 61% | 0.611 | S | S | * | * | trans | -90.1 | 130.4 | -178.8 | -69.4 | 178.5 | 175.8 | 162.7 | -2.2 | 114.1 | W1015 | W1015-R1017 HydrophobicContact CZ3-CG 4.46Š| ||
| 1018 | L | 22 | Very low | 27.4 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 84% | 0.843 | 61% | 0.608 | S | S | * | * | -167.8 | 178 | 123.9 | -113.7 | 174 | 0 | 0 | 0 | 110.2 | |||||
| 1019 | C | 24.7 | Very low | 27.5 | Very low | 77 Ų | 77 | 117.1 Ų | 117.1 | 52% | 0.52 | 58% | 0.582 | S | S | . | * | trans | 3.4 | 112.3 | 177.4 | -69 | 0 | 0 | 0 | 0 | 117.6 | L1021 | C1019-L1021 PolarHBondContact O-N 3.16Š| ||
| 1020 | S | 34.4 | Very low | 27.3 | Very low | 76 Ų | 76 | 112 Ų | 112 | 53% | 0.531 | 56% | 0.557 | S | S | . | * | trans | -45.7 | 130.5 | 151 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | I1165 | S1020-I1165 WeakPolarHBondContact O-CD1 3.35Å; S1020-I1165 WeakPolarHBondContact O-CG1 3.4Å; S1020-I1165 WeakPolarHBondContact OG-CD1 3.47Å; S1020-I1165 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 1021 | L | 22.4 | Very low | 27.6 | Very low | 59 Ų | 59 | 107.1 Ų | 107.1 | 31% | 0.309 | 55% | 0.55 | S | S | . | * | trans | -170.9 | 159.4 | 155.3 | -135.9 | -175.9 | 0 | 0 | 0 | 106.2 | C1019 M1161 V1162 I1165 | C1019-L1021 PolarHBondContact O-N 3.16Å; L1021-M1161 VanDerWaalsContact C-SD 3.59Å; L1021-M1161 HydrophobicContact CD2-CB 4.12Å; L1021-M1161 HydrophobicContact CD2-CG 4.23Å; L1021-V1162 HydrophobicContact CD1-CB 4.48Å; L1021-V1162 HydrophobicContact CD1-CG2 4.19Å; L1021-V1162 HydrophobicContact CD2-CB 4.12Å; L1021-V1162 HydrophobicContact CD2-CG2 3.62Å; L1021-V1162 VanDerWaalsContact CD2-N 3.34Å; L1021-I1165 HydrophobicContact CB-CD1 4.4Å; L1021-I1165 HydrophobicContact CG-CB 4.36Å; L1021-I1165 HydrophobicContact CG-CD1 4.13Å; L1021-I1165 HydrophobicContact CG-CG2 4.36Å | ||
| 1022 | Q | 28.6 | Very low | 27.8 | Very low | 94 Ų | 94 | 110.8 Ų | 110.8 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | trans | 56.1 | 92.6 | 157.3 | -89.8 | 140 | -1.1 | 0 | 0 | 115.1 | M1158 M1161 | Q1022-M1158 HydrophobicContact CB-CG 4.41Å; Q1022-M1158 HydrophobicContact CG-CB 4.44Å; Q1022-M1158 HydrophobicContact CG-CE 3.5Å; Q1022-M1158 VanDerWaalsContact CG-CE 3.5Å; Q1022-M1158 HydrophobicContact CG-CG 3.16Å; Q1022-M1158 HydrophobicContact CG-SD 4.03Å; Q1022-M1158 VanDerWaalsContact NE2-CE 3.34Å; Q1022-M1161 PolarHBondContact N-SD 3.5Å; Q1022-M1161 VanDerWaalsContact N-SD 3.39Å | ||
| 1023 | N | 27.3 | Very low | 28.2 | Very low | 51 Ų | 51 | 109.7 Ų | 109.7 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | 34.5 | 96 | 58.3 | -86.8 | -17.6 | 0 | 0 | 0 | 111.3 | L1154 T1157 M1158 M1161 | N1023-L1154 HydrophobicContact CB-CD2 3.87Å; N1023-T1157 WeakPolarHBondContact ND2-CB 3.46Å; N1023-T1157 PolarHBondContact ND2-O 2.85Å; N1023-T1157 PolarHBondContact ND2-OG1 3.44Å; N1023-T1157 VanDerWaalsContact ND2-OG1 3.15Å; N1023-M1158 HydrophobicContact CB-CB 4.21Å; N1023-M1158 WeakPolarHBondContact O-CG 3.43Å; N1023-M1161 WeakPolarHBondContact ND2-CE 3.44Å | |||
| 1024 | L | 25.8 | Very low | 28.4 | Very low | 93 Ų | 93 | 112.7 Ų | 112.7 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | trans | -165.7 | 141.6 | 131.2 | -119.9 | 47.3 | 0 | 0 | 0 | 109.1 | E1155 M1158 | L1024-E1155 HydrophobicContact CD1-CG 3.88Å; L1024-M1158 HydrophobicContact CD1-CB 3.57Å; L1024-M1158 HydrophobicContact CD1-CE 3.63Å; L1024-M1158 HydrophobicContact CD1-CG 3.55Å; L1024-M1158 HydrophobicContact CD1-SD 3.43Å; L1024-M1158 WeakPolarHBondContact CD1-SD 3.49Å; L1024-M1158 HydrophobicContact CD2-CE 3.23Å; L1024-M1158 HydrophobicContact CD2-SD 4.04Å; L1024-M1158 HydrophobicContact CG-CE 3.89Å; L1024-M1158 HydrophobicContact CG-SD 4.31Å | ||
| 1025 | V | 27.9 | Very low | 28.7 | Very low | 46 Ų | 46 | 111.2 Ų | 111.2 | 28% | 0.279 | 55% | 0.554 | S | S | . | * | cis | 172.3 | -174.1 | -10.1 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | I1151 L1154 E1155 | V1025-I1151 WeakPolarHBondContact CG2-O 3.37Å; V1025-L1154 HydrophobicContact CB-CD2 4.29Å; V1025-L1154 HydrophobicContact CG2-CB 3.59Å; V1025-L1154 HydrophobicContact CG2-CD2 4.1Å; V1025-L1154 HydrophobicContact CG2-CG 4.35Å; V1025-E1155 HydrophobicContact CG2-CG 4.22Å | ||
| 1026 | Q | 27.6 | Very low | 28.4 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | trans | 64.7 | 118.3 | 147.5 | -61 | 162.7 | 7.7 | 0 | 0 | 117.7 | I1151 E1155 | Q1026-I1151 HydrophobicContact CB-CB 4.3Å; Q1026-I1151 HydrophobicContact CB-CD1 3.67Å; Q1026-I1151 HydrophobicContact CB-CG1 3.55Å; Q1026-I1151 HydrophobicContact CG-CB 3.57Å; Q1026-I1151 HydrophobicContact CG-CD1 3.57Å; Q1026-I1151 HydrophobicContact CG-CG1 3.35Å; Q1026-I1151 HydrophobicContact CG-CG2 3.58Å; Q1026-E1155 VanDerWaalsContact NE2-CD 3.27Å; Q1026-E1155 PolarHBondContact NE2-OE1 3.27Å | ||
| 1027 | G | 29.6 | Very low | 28.2 | Very low | 38 Ų | 38 | 106 Ų | 106 | 39% | 0.392 | 55% | 0.553 | S | S | . | * | cis | 97.1 | -173.6 | 15.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1028 | E | 33 | Very low | 27.9 | Very low | 131 Ų | 131 | 102.4 Ų | 102.4 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -137.5 | -3.3 | 156.4 | -118.2 | 170.6 | 144.6 | 0 | 0 | 119.4 | D1148 I1151 | E1028-D1148 CarbonylContact C-O 3.53Å; E1028-D1148 HydrophobicContact CB-CB 4.49Å; E1028-D1148 PolarHBondContact N-O 2.83Å; E1028-I1151 VanDerWaalsContact C-CG1 3.47Å; E1028-I1151 VanDerWaalsContact CA-CD1 3.41Å |
| 1029 | N | 29.4 | Very low | 28.1 | Very low | 25 Ų | 25 | 102.5 Ų | 102.5 | 13% | 0.134 | 55% | 0.547 | C | S | . | . | trans | 88.8 | -152 | 176.7 | -130.1 | 14.1 | 0 | 0 | 0 | 116.3 | D1148 N1149 I1151 E1152 | N1029-D1148 WeakPolarHBondContact CA-O 3.44Å; N1029-D1148 VanDerWaalsContact N-CA 3.31Å; N1029-D1148 PolarHBondContact N-O 3.07Å; N1029-D1148 PolarHBondContact N-OD1 2.63Å; N1029-D1148 CarbonylContact O-C 3.47Å; N1029-D1148 WeakPolarHBondContact O-CA 3.47Å; N1029-D1148 WeakPolarHBondContact O-CB 3.35Å; N1029-N1149 WeakPolarHBondContact O-CA 3.31Å; N1029-N1149 PolarHBondContact O-N 2.94Å; N1029-I1151 HydrophobicContact CB-CB 3.53Å; N1029-I1151 HydrophobicContact CB-CD1 4.09Å; N1029-I1151 HydrophobicContact CB-CG1 3.95Å; N1029-I1151 HydrophobicContact CB-CG2 3.56Å; N1029-I1151 VanDerWaalsContact CG-CB 3.4Å; N1029-I1151 WeakPolarHBondContact ND2-CG2 3.49Å; N1029-I1151 VanDerWaalsContact OD1-CB 3.22Å; N1029-I1151 WeakPolarHBondContact OD1-CB 3.4Å; N1029-I1151 VanDerWaalsContact OD1-CG2 3.27Å; N1029-I1151 WeakPolarHBondContact OD1-CG2 3.01Å; N1029-E1152 PolarHBondContact ND2-OE1 2.92Å; N1029-E1152 WeakPolarHBondContact OD1-CB 3.21Å; N1029-E1152 PolarHBondContact OD1-N 2.9Å | ||
| 1030 | K | 26.1 | Very low | 28.1 | Very low | 67 Ų | 67 | 106 Ų | 106 | 29% | 0.291 | 56% | 0.555 | S | S | . | * | cis | 136.2 | 79.1 | -33 | 77.6 | 98.3 | 177.7 | -167.6 | 0 | 108.7 | N1149 E1152 | K1030-N1149 HydrophobicContact CG-CB 4.29Å; K1030-N1149 WeakPolarHBondContact CG-OD1 3.34Å; K1030-E1152 HydrophobicContact CD-CB 3.96Å; K1030-E1152 HydrophobicContact CD-CG 4.34Å; K1030-E1152 WeakPolarHBondContact CD-OE2 3.36Å; K1030-E1152 WeakPolarHBondContact CE-OE2 3.01Å; K1030-E1152 VanDerWaalsContact NZ-CD 3.34Å; K1030-E1152 IonicContact NZ-OE2 2.66Å; K1030-E1152 PolarHBondContact NZ-OE2 3.5Å | ||
| 1031 | G | 30.2 | Very low | 27.6 | Very low | 68 Ų | 68 | 110.4 Ų | 110.4 | 70% | 0.701 | 57% | 0.567 | S | S | * | * | trans | -136.4 | 140.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1032 | R | 29.6 | Very low | 27.7 | Very low | 227 Ų | 227 | 111 Ų | 111 | 86% | 0.857 | 58% | 0.58 | S | S | * | * | cis | -169.8 | 143.8 | -11.6 | -152.2 | 175.2 | -178.6 | 170.3 | 0.7 | 104.7 | ||||
| 1033 | L | 32.7 | Very low | 27.6 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | 171.3 | 129.9 | 90.2 | -83.1 | 164.3 | 0 | 0 | 0 | 111.6 | |||||
| 1034 | R | 29.7 | Very low | 27.5 | Very low | 194 Ų | 194 | 116.6 Ų | 116.6 | 73% | 0.732 | 61% | 0.612 | S | S | * | * | trans | 72.3 | 116.5 | 131.9 | -64.4 | -175.4 | -177.4 | -126.6 | 7.4 | 122.8 | ||||
| 1035 | H | 30.1 | Very low | 27.5 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | 65 | 107.2 | 122.7 | -52.5 | -43.6 | 0 | 0 | 0 | 121.3 | |||||
| 1036 | S | 22.5 | Very low | 27.6 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | -19.9 | 137.2 | 128.3 | 56.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1037 | S | 28.6 | Very low | 27.7 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 67% | 0.666 | S | S | * | * | -160.3 | 166.9 | 128.5 | 58.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 1038 | N | 24.8 | Very low | 27.4 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | trans | -91.3 | 166.4 | -177.9 | -75.3 | -32.7 | 0 | 0 | 0 | 112.7 | ||||
| 1039 | H | 24.3 | Very low | 27.3 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | 12.6 | 118.4 | 151 | -64.6 | -87.6 | 0 | 0 | 0 | 116.7 | ||||
| 1040 | H | 26 | Very low | 27.3 | Very low | 151 Ų | 151 | 133 Ų | 133 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | -152.7 | 160.5 | 69.5 | -95.9 | -94.4 | 0 | 0 | 0 | 109.5 | |||||
| 1041 | E | 23.3 | Very low | 27.2 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | 48.6 | 132.1 | 79.5 | -99.4 | -175.3 | 168.9 | 0 | 0 | 113.6 | |||||
| 1042 | A | 25.8 | Very low | 27 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | cis | -164.7 | 165 | 1.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1043 | I | 25.3 | Very low | 26.6 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | trans | 69.7 | 135 | 136.2 | -73.8 | 162.9 | 0 | 0 | 0 | 120.9 | ||||
| 1044 | N | 25.5 | Very low | 26.2 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | trans | 81.8 | 123.7 | 155.8 | -80.7 | -29.4 | 0 | 0 | 0 | 122.1 | ||||
| 1045 | K | 26.5 | Very low | 26 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | 57.2 | 118.1 | 132 | -58.6 | 168.9 | -173.3 | 175.8 | 0 | 117 | ||||
| 1046 | T | 30.2 | Very low | 25.8 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | cis | -151.8 | 159.6 | 11.9 | 48.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1047 | S | 29.3 | Very low | 26 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | cis | -135.1 | 166.4 | 15.4 | 56.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1048 | L | 23.4 | Very low | 25.9 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | 45.7 | 140 | 63.7 | -73.3 | 169.1 | 0 | 0 | 0 | 113.7 | V1050 | L1048-V1050 HydrophobicContact CD2-CB 4.31Å; L1048-V1050 HydrophobicContact CD2-CG2 3.56Å | |||
| 1049 | P | 29.3 | Very low | 26.6 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | cis | -91.5 | 168.6 | 1.4 | 39.7 | -35.1 | 0 | 0 | 0 | 113 | ||||
| 1050 | V | 29.4 | Very low | 26.6 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | cis | 69.5 | 137.3 | 41 | 152.8 | 0 | 0 | 0 | 0 | 110.4 | L1048 | L1048-V1050 HydrophobicContact CD2-CB 4.31Å; L1048-V1050 HydrophobicContact CD2-CG2 3.56Å | ||
| 1051 | T | 25 | Very low | 26.7 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 61% | 0.613 | 71% | 0.71 | S | S | * | * | cis | -172 | 178.1 | -8.2 | 33.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1052 | N | 26.2 | Very low | 26.9 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | trans | 73.3 | 149.5 | 147.2 | -64.4 | -17 | 0 | 0 | 0 | 116.6 | T1054 | N1052-T1054 WeakPolarHBondContact CB-OG1 3.36Å; N1052-T1054 PolarHBondContact ND2-OG1 3.47Å | ||
| 1053 | C | 20.9 | Very low | 26.8 | Very low | 118 Ų | 118 | 121 Ų | 121 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | cis | 67.4 | 174.2 | 29.7 | -54 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1054 | T | 24 | Very low | 26.7 | Very low | 99 Ų | 99 | 123 Ų | 123 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | trans | 46.1 | 118 | 161 | 54.3 | 0 | 0 | 0 | 0 | 117.8 | N1052 | N1052-T1054 WeakPolarHBondContact CB-OG1 3.36Å; N1052-T1054 PolarHBondContact ND2-OG1 3.47Å | ||
| 1055 | I | 26.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | cis | -137.2 | 139.7 | 10.4 | -65 | 97.6 | 0 | 0 | 0 | 105.2 | T1057 | I1055-T1057 WeakPolarHBondContact CG2-OG1 3.27Š| ||
| 1056 | G | 25 | Very low | 27.4 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | cis | 110.5 | -177.6 | 33.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1057 | T | 27.4 | Very low | 27.1 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | trans | 22 | 110.3 | 158.3 | 54.8 | 0 | 0 | 0 | 0 | 117.3 | I1055 | I1055-T1057 WeakPolarHBondContact CG2-OG1 3.27Š| ||
| 1058 | G | 26.7 | Very low | 27.1 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | cis | 60.6 | 155.5 | 38.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1059 | P | 38.1 | Very low | 27.3 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | cis | -126.1 | -150.1 | 1.4 | 30.5 | -6.1 | 0 | 0 | 0 | 110.6 | ||||
| 1060 | L | 24.6 | Very low | 27.2 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | 69.1 | 151.7 | 161.8 | -60.3 | 161.7 | 0 | 0 | 0 | 115.9 | ||||
| 1061 | S | 28.4 | Very low | 27 | Very low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | cis | -157.9 | 151.5 | -18 | 43.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1062 | Q | 27.4 | Very low | 27.1 | Very low | 167 Ų | 167 | 127 Ų | 127 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 24 | 112 | 140.4 | -63.8 | -177.3 | -3.3 | 0 | 0 | 118.5 | ||||
| 1063 | I | 24.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | 99.5 | 143.5 | 97 | -77.8 | 168 | 0 | 0 | 0 | 113.6 | |||||
| 1064 | K | 23.1 | Very low | 27.4 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 66.4 | 90.3 | 167.9 | -80.1 | 168 | -178.1 | -179.9 | 0 | 119 | ||||
| 1065 | L | 38.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | -7.6 | 142.9 | 123.8 | -60.5 | 164.9 | 0 | 0 | 0 | 116.4 | |||||
| 1066 | P | 28.6 | Very low | 27.7 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -120.2 | 154.6 | 121 | 35.6 | -32.9 | 0 | 0 | 0 | 113.1 | |||||
| 1067 | Y | 23.3 | Very low | 27.9 | Very low | 202 Ų | 202 | 128.7 Ų | 128.7 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | -72.3 | 162.2 | 167.8 | -76.4 | -100.5 | 0 | 0 | 0 | 110.9 | ||||
| 1068 | P | 29.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | -127.4 | 145 | 97.8 | 0.7 | 20.5 | 0 | 0 | 0 | 116.1 | |||||
| 1069 | T | 27.6 | Very low | 28.3 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | 68.1 | 100.6 | 139.2 | -48.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1070 | A | 27.4 | Very low | 28.1 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | 67.7 | 145.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1071 | S | 23.6 | Very low | 28.4 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | cis | 62.9 | 128.7 | 42.2 | -53 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1072 | M | 27.9 | Very low | 28.7 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | cis | -143.8 | 175.5 | 26.2 | -59.9 | 171.5 | 144.1 | 0 | 0 | 112.6 | ||||
| 1073 | M | 25.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | trans | 15.9 | 141.9 | 130.9 | -61.3 | 159.1 | 61.6 | 0 | 0 | 118.4 | ||||
| 1074 | V | 28.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | cis | -169.9 | 162.8 | 12.6 | 107.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1075 | N | 28.4 | Very low | 29.7 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | 68.5 | 120.1 | 159.1 | -78.3 | 0.4 | 0 | 0 | 0 | 125.2 | ||||
| 1076 | V | 28.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | 63.1 | 112.9 | 121.4 | -175.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1077 | G | 29.6 | Very low | 28.9 | Very low | 35 Ų | 35 | 122 Ų | 122 | 36% | 0.361 | 72% | 0.716 | S | S | . | * | 115.8 | 116.8 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | H1093 N1094 | G1077-H1093 PolarHBondContact O-ND1 3.37Å; G1077-H1093 VanDerWaalsContact O-ND1 3.08Å; G1077-N1094 PolarHBondContact O-OD1 3.42Å | |||
| 1078 | S | 31.6 | Very low | 29.3 | Very low | 51 Ų | 51 | 120.1 Ų | 120.1 | 36% | 0.357 | 72% | 0.715 | S | S | . | * | trans | 68 | 167.5 | 145.2 | -58.2 | 0 | 0 | 0 | 0 | 120.2 | H1093 | S1078-H1093 PolarHBondContact O-ND1 2.85Š| ||
| 1079 | L | 30.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 54% | 0.539 | 72% | 0.715 | S | S | . | * | cis | -170.9 | -169.6 | -34.2 | -159.7 | 67.2 | 0 | 0 | 0 | 107.8 | N1094 | L1079-N1094 CarbonylContact O-C 3.55Å; L1079-N1094 PolarHBondContact O-N 3.36Å; L1079-N1094 VanDerWaalsContact O-N 3.11Å | ||
| 1080 | N | 34.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | trans | 78.8 | 155.9 | 165.6 | -67.8 | -24.5 | 0 | 0 | 0 | 121 | N1094 T1095 | N1080-N1094 PolarHBondContact ND2-O 3.2Å; N1080-T1095 PolarHBondContact ND2-O 2.89Å | ||
| 1081 | D | 31 | Very low | 30 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -98.8 | 158.8 | -156.7 | -71.8 | -65.1 | 0 | 0 | 0 | 117 | ||||
| 1082 | I | 33 | Very low | 30.5 | Very low | 165 Ų | 165 | 130 Ų | 130 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | -173.2 | 163.9 | 123.1 | -99.2 | 165.4 | 0 | 0 | 0 | 113.3 | |||||
| 1083 | T | 32.7 | Very low | 30.6 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | trans | -64.5 | 159.7 | -162.6 | 61.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1084 | A | 32.5 | Very low | 30.9 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | trans | 99.7 | 133.5 | 133.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1085 | K | 32.3 | Very low | 31 | Very low | 192 Ų | 192 | 122.5 Ų | 122.5 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | trans | 18.2 | 119 | 151.4 | -65.2 | -178 | 178.3 | 178.1 | 0 | 120.3 | ||||
| 1086 | S | 24.4 | Very low | 31 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 87% | 0.867 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 52.6 | 74.6 | 140.1 | 63.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1087 | G | 26 | Very low | 30.9 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 73% | 0.732 | 67% | 0.672 | S | S | * | * | trans | 107.2 | 150.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1088 | Q | 30.5 | Very low | 30.8 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | trans | 68.2 | 112.7 | 172.8 | -57.1 | -151 | 20.7 | 0 | 0 | 119.6 | ||||
| 1089 | R | 31.3 | Very low | 30.5 | Very low | 204 Ų | 204 | 132.7 Ų | 132.7 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | 68.3 | 112.8 | 129.8 | -65.2 | 173.5 | 167.3 | 176.9 | -6.8 | 120.5 | |||||
| 1090 | K | 35 | Very low | 30.3 | Very low | 208 Ų | 208 | 133.3 Ų | 133.3 | 90% | 0.904 | 72% | 0.716 | S | S | * | * | trans | 61.6 | 129.8 | 138.6 | -51.5 | 175.5 | 178.8 | -171.9 | 0 | 117.8 | ||||
| 1091 | G | 33.3 | Very low | 29.9 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | cis | 150.9 | 166.7 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1092 | I | 35 | Very low | 29.6 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | trans | 81.6 | 128.6 | 165.8 | -55.9 | 172.8 | 0 | 0 | 0 | 117.9 | ||||
| 1093 | H | 29.9 | Very low | 29.4 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 60% | 0.602 | 72% | 0.723 | S | S | * | * | trans | 6.6 | 149.9 | 157.3 | -62 | -108.7 | 0 | 0 | 0 | 120.4 | G1077 S1078 | G1077-H1093 PolarHBondContact O-ND1 3.37Å; G1077-H1093 VanDerWaalsContact O-ND1 3.08Å; S1078-H1093 PolarHBondContact O-ND1 2.85Å | ||
| 1094 | N | 30.7 | Very low | 29.3 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 43% | 0.428 | 72% | 0.717 | S | S | . | * | cis | -172.7 | 164.4 | 49.8 | -145.3 | 4.7 | 0 | 0 | 0 | 117.1 | G1077 L1079 N1080 | G1077-N1094 PolarHBondContact O-OD1 3.42Å; L1079-N1094 CarbonylContact O-C 3.55Å; L1079-N1094 PolarHBondContact O-N 3.36Å; L1079-N1094 VanDerWaalsContact O-N 3.11Å; N1080-N1094 PolarHBondContact ND2-O 3.2Å | ||
| 1095 | T | 31 | Very low | 29 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 45% | 0.448 | 73% | 0.725 | S | S | . | * | trans | 41.4 | 121.1 | 156 | 46.2 | 0 | 0 | 0 | 0 | 126.4 | N1080 | N1080-T1095 PolarHBondContact ND2-O 2.89Š| ||
| 1096 | Y | 28.2 | Very low | 28.7 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | 66.5 | 156.1 | 129.5 | -92.9 | -105.1 | 0 | 0 | 0 | 125.5 | |||||
| 1097 | S | 25.6 | Very low | 28.6 | Very low | 79 Ų | 79 | 130 Ų | 130 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | trans | -19.4 | 163.9 | 171.5 | -57 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1098 | E | 28.8 | Very low | 28.8 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | 69.1 | 119.3 | 147.3 | -78.4 | 160.5 | 139.7 | 0 | 0 | 116.8 | ||||
| 1099 | L | 25 | Very low | 28.6 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | 92.5 | 126.9 | 74 | -167.4 | 78.6 | 0 | 0 | 0 | 111.1 | |||||
| 1100 | D | 26.8 | Very low | 28.6 | Very low | 115 Ų | 115 | 123 Ų | 123 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | 64 | 110.4 | 165.1 | -76.9 | -43.8 | 0 | 0 | 0 | 121.8 | ||||
| 1101 | Q | 25.4 | Very low | 28.4 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 71% | 0.71 | 71% | 0.711 | S | S | * | * | 87.2 | 107.6 | 124 | -68.4 | 173 | 48.4 | 0 | 0 | 121.8 | |||||
| 1102 | C | 24.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 124 Ų | 124 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | 68.1 | 98.1 | 120.3 | -60.8 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1103 | K | 28 | Very low | 28.3 | Very low | 211 Ų | 211 | 120.2 Ų | 120.2 | 92% | 0.917 | 70% | 0.701 | S | S | * | * | trans | -160.8 | 153.9 | 135.5 | -100.5 | 142.8 | -177.1 | 173.5 | 0 | 109.8 | ||||
| 1104 | A | 30.7 | Very low | 28.6 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | cis | -167.1 | 92.5 | -30.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1105 | N | 26.9 | Very low | 29.1 | Very low | 172 Ų | 172 | 120 Ų | 120 | 92% | 0.92 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -79.4 | 123.4 | 144 | -84.1 | -14.4 | 0 | 0 | 0 | 105.6 | ||
| 1106 | G | 25.7 | Very low | 29.6 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | trans | -62.5 | 155.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1108 | G1106-A1108 VanDerWaalsContact C-N 3.27Å; G1106-A1108 PolarHBondContact O-N 3.08Å | ||
| 1107 | A | 21.7 | Very low | 30.2 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | -61.9 | 95.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S1109 | A1107-S1109 PolarHBondContact O-N 3.4Š| ||
| 1108 | A | 31.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 87% | 0.868 | 72% | 0.723 | S | S | * | * | trans | -66.2 | 91.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | G1106 | G1106-A1108 VanDerWaalsContact C-N 3.27Å; G1106-A1108 PolarHBondContact O-N 3.08Å | ||
| 1109 | S | 26.2 | Very low | 32.7 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -42.3 | 154.1 | -170.8 | -54.5 | 0 | 0 | 0 | 0 | 116.4 | A1107 | A1107-S1109 PolarHBondContact O-N 3.4Š| ||
| 1110 | A | 31.1 | Very low | 34.3 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | trans | 70.5 | 125.4 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1111 | L | 31.2 | Very low | 35.9 | Very low | 159 Ų | 159 | 112.4 Ų | 112.4 | 83% | 0.832 | 69% | 0.693 | S | S | * | * | 29.6 | 135.8 | 109.3 | -51 | 171 | 0 | 0 | 0 | 117.6 | |||||
| 1112 | N | 36.2 | Very low | 37.5 | Very low | 138 Ų | 138 | 111.3 Ų | 111.3 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | trans | 71.9 | 74.4 | 166.6 | -57.4 | -11.7 | 0 | 0 | 0 | 116.7 | ||||
| 1113 | C | 30.8 | Very low | 39.7 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 57% | 0.568 | 67% | 0.671 | S | S | * | * | S | Bend | -119.5 | 89.5 | 101.1 | -156.2 | 0 | 0 | 0 | 0 | 107.8 | |||
| 1114 | S | 34.2 | Very low | 41.7 | Very low | 86 Ų | 86 | 102.5 Ų | 102.5 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 146.9 | -176.4 | 12.3 | 0 | 0 | 0 | 0 | 110.7 | I1116 | S1114-I1116 PolarHBondContact O-N 3.38Š|
| 1115 | S | 41.7 | Very low | 43.6 | Very low | 118 Ų | 118 | 103.5 Ų | 103.5 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | 12.3 | 178.2 | -54.3 | 0 | 0 | 0 | 0 | 118.6 | ||
| 1116 | I | 42.3 | Very low | 45.5 | Very low | 100 Ų | 100 | 102.4 Ų | 102.4 | 51% | 0.513 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.6 | -44.1 | 173.1 | -62.9 | -177.3 | 0 | 0 | 0 | 113.7 | S1114 S1118 A1119 | S1114-I1116 PolarHBondContact O-N 3.38Å; I1116-S1118 PolarHBondContact O-N 3.42Å; I1116-A1119 PolarHBondContact O-N 3.47Å; I1116-A1119 VanDerWaalsContact O-N 3.15Å |
| 1117 | K | 40.5 | Very low | 47.7 | Very low | 155 Ų | 155 | 105.7 Ų | 105.7 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.7 | -4.7 | -170.1 | -68.2 | -175.1 | 177.2 | 178.7 | 0 | 116.7 | ||
| 1118 | S | 50.4 | Low | 50.1 | Low | 81 Ų | 81 | 105.5 Ų | 105.5 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80.8 | -28.1 | 171.5 | 47.4 | 0 | 0 | 0 | 0 | 113 | I1116 M1122 | I1116-S1118 PolarHBondContact O-N 3.42Å; S1118-M1122 PolarHBondContact O-N 3.1Å |
| 1119 | A | 55.8 | Low | 51.8 | Low | 52 Ų | 52 | 104.8 Ų | 104.8 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.1 | -47 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1116 L1121 M1122 I1123 | I1116-A1119 PolarHBondContact O-N 3.47Å; I1116-A1119 VanDerWaalsContact O-N 3.15Å; A1119-L1121 VanDerWaalsContact C-N 3.28Å; A1119-L1121 PolarHBondContact O-N 3.39Å; A1119-M1122 PolarHBondContact O-N 3.48Å; A1119-M1122 VanDerWaalsContact O-N 3.08Å; A1119-I1123 WeakPolarHBondContact O-CG1 3.25Å; A1119-I1123 PolarHBondContact O-N 3.27Å |
| 1120 | D | 59.9 | Low | 53.8 | Low | 92 Ų | 92 | 104 Ų | 104 | 49% | 0.492 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.2 | -34.2 | 179.2 | -72.1 | -41.2 | 0 | 0 | 0 | 112.9 | I1123 E1124 | D1120-I1123 PolarHBondContact O-N 2.8Å; D1120-E1124 WeakPolarHBondContact O-CB 3.37Å; D1120-E1124 PolarHBondContact O-N 3.07Å |
| 1121 | L | 59.8 | Low | 55.6 | Low | 119 Ų | 119 | 107 Ų | 107 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.3 | -32.9 | 175 | -89.3 | 167.2 | 0 | 0 | 0 | 113 | A1119 N1125 | A1119-L1121 VanDerWaalsContact C-N 3.28Å; A1119-L1121 PolarHBondContact O-N 3.39Å; L1121-N1125 VanDerWaalsContact O-CB 3.24Å; L1121-N1125 WeakPolarHBondContact O-CB 3.39Å; L1121-N1125 VanDerWaalsContact O-CG 3.24Å; L1121-N1125 PolarHBondContact O-N 2.97Å; L1121-N1125 VanDerWaalsContact O-N 3.1Å; L1121-N1125 PolarHBondContact O-ND2 3.38Å |
| 1122 | M | 58 | Low | 57.3 | Low | 129 Ų | 129 | 105.2 Ų | 105.2 | 64% | 0.635 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71 | -44.7 | 169.7 | -69.6 | -168.3 | -177.2 | 0 | 0 | 111.3 | S1118 A1119 E1124 N1125 F1126 | S1118-M1122 PolarHBondContact O-N 3.1Å; A1119-M1122 PolarHBondContact O-N 3.48Å; A1119-M1122 VanDerWaalsContact O-N 3.08Å; M1122-E1124 PolarHBondContact O-N 2.63Å; M1122-N1125 PolarHBondContact O-N 3.36Å; M1122-F1126 WeakPolarHBondContact O-CB 3.22Å; M1122-F1126 VanDerWaalsContact O-CD2 3.28Å; M1122-F1126 WeakPolarHBondContact O-CD2 3.48Å; M1122-F1126 PolarHBondContact O-N 3.04Å |
| 1123 | I | 72.3 | Confident | 59 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | -178.8 | -68.1 | 167.5 | 0 | 0 | 0 | 111.1 | A1119 D1120 F1126 R1127 | A1119-I1123 WeakPolarHBondContact O-CG1 3.25Å; A1119-I1123 PolarHBondContact O-N 3.27Å; D1120-I1123 PolarHBondContact O-N 2.8Å; I1123-F1126 PolarHBondContact O-N 3.37Å; I1123-R1127 VanDerWaalsContact CG2-CZ 3.42Å; I1123-R1127 WeakPolarHBondContact O-CG 2.99Å; I1123-R1127 PolarHBondContact O-N 2.86Å |
| 1124 | E | 70 | Confident | 61 | Low | 65 Ų | 65 | 105.4 Ų | 105.4 | 30% | 0.304 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -78.9 | -27.5 | 178.9 | -158.6 | 55.3 | -138.6 | 0 | 0 | 112.7 | D1120 M1122 R1127 Q1128 R1131 | D1120-E1124 WeakPolarHBondContact O-CB 3.37Å; D1120-E1124 PolarHBondContact O-N 3.07Å; M1122-E1124 PolarHBondContact O-N 2.63Å; E1124-R1127 PolarHBondContact O-N 3.29Å; E1124-R1127 WeakPolarHBondContact OE2-CD 3.36Å; E1124-R1127 IonicContact OE2-CZ 3.17Å; E1124-R1127 IonicContact OE2-NE 2.73Å; E1124-R1127 IonicContact OE2-NH1 2.82Å; E1124-R1127 PolarHBondContact OE2-NH1 2.65Å; E1124-R1127 VanDerWaalsContact OE2-NH1 3.15Å; E1124-Q1128 WeakPolarHBondContact O-CB 3.34Å; E1124-Q1128 WeakPolarHBondContact O-CG 3.45Å; E1124-Q1128 PolarHBondContact O-N 3.37Å; E1124-R1131 IonicContact OE1-CZ 3.68Å; E1124-R1131 IonicContact OE1-NH2 3.56Å; E1124-R1131 PolarHBondContact OE1-NH2 2.96Å |
| 1125 | N | 69.8 | Low | 62.9 | Low | 99 Ų | 99 | 106.3 Ų | 106.3 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 163.8 | -83.4 | -22.7 | 0 | 0 | 0 | 111 | L1121 M1122 R1127 Q1128 E1129 | L1121-N1125 VanDerWaalsContact O-CB 3.24Å; L1121-N1125 WeakPolarHBondContact O-CB 3.39Å; L1121-N1125 VanDerWaalsContact O-CG 3.24Å; L1121-N1125 PolarHBondContact O-N 2.97Å; L1121-N1125 VanDerWaalsContact O-N 3.1Å; L1121-N1125 PolarHBondContact O-ND2 3.38Å; M1122-N1125 PolarHBondContact O-N 3.36Å; N1125-R1127 VanDerWaalsContact C-N 3.29Å; N1125-R1127 PolarHBondContact O-N 2.84Å; N1125-Q1128 PolarHBondContact O-N 2.94Å; N1125-E1129 WeakPolarHBondContact O-CB 3.27Å; N1125-E1129 PolarHBondContact O-N 2.86Å |
| 1126 | F | 65.8 | Low | 64.2 | Low | 148 Ų | 148 | 106 Ų | 106 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -33.9 | 174.6 | -88 | -67.3 | 0 | 0 | 0 | 112.4 | M1122 I1123 T1130 | M1122-F1126 WeakPolarHBondContact O-CB 3.22Å; M1122-F1126 VanDerWaalsContact O-CD2 3.28Å; M1122-F1126 WeakPolarHBondContact O-CD2 3.48Å; M1122-F1126 PolarHBondContact O-N 3.04Å; I1123-F1126 PolarHBondContact O-N 3.37Å; F1126-T1130 VanDerWaalsContact O-CB 3.27Å; F1126-T1130 WeakPolarHBondContact O-CB 3.14Å; F1126-T1130 PolarHBondContact O-N 3.34Å; F1126-T1130 PolarHBondContact O-OG1 2.83Å |
| 1127 | R | 72.6 | Confident | 65.7 | Low | 136 Ų | 136 | 106.1 Ų | 106.1 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.6 | -31.4 | 173.7 | -72.9 | 165.7 | 176.9 | 161.7 | 3.5 | 113.8 | I1123 E1124 N1125 R1131 | I1123-R1127 VanDerWaalsContact CG2-CZ 3.42Å; I1123-R1127 WeakPolarHBondContact O-CG 2.99Å; I1123-R1127 PolarHBondContact O-N 2.86Å; E1124-R1127 PolarHBondContact O-N 3.29Å; E1124-R1127 WeakPolarHBondContact OE2-CD 3.36Å; E1124-R1127 IonicContact OE2-CZ 3.17Å; E1124-R1127 IonicContact OE2-NE 2.73Å; E1124-R1127 IonicContact OE2-NH1 2.82Å; E1124-R1127 PolarHBondContact OE2-NH1 2.65Å; E1124-R1127 VanDerWaalsContact OE2-NH1 3.15Å; N1125-R1127 VanDerWaalsContact C-N 3.29Å; N1125-R1127 PolarHBondContact O-N 2.84Å; R1127-R1131 WeakPolarHBondContact O-CB 3.37Å; R1127-R1131 WeakPolarHBondContact O-CG 3.45Å; R1127-R1131 PolarHBondContact O-N 3.14Å; R1127-R1131 PolarHBondContact O-NE 3.49Å |
| 1128 | Q | 71.5 | Confident | 67.2 | Low | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 168.2 | -80.1 | -160.9 | 9.7 | 0 | 0 | 110.8 | E1124 N1125 R1131 R1132 | E1124-Q1128 WeakPolarHBondContact O-CB 3.34Å; E1124-Q1128 WeakPolarHBondContact O-CG 3.45Å; E1124-Q1128 PolarHBondContact O-N 3.37Å; N1125-Q1128 PolarHBondContact O-N 2.94Å; Q1128-R1131 CarbonylContact O-C 2.85Å; Q1128-R1131 PolarHBondContact O-N 2.92Å; Q1128-R1132 PolarHBondContact O-N 3.43Å |
| 1129 | E | 66.9 | Low | 68.2 | Low | 91 Ų | 91 | 101.7 Ų | 101.7 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.8 | -35.9 | -178.9 | -147.3 | 60.1 | -163.4 | 0 | 0 | 111.7 | N1125 R1131 R1132 L1133 | N1125-E1129 WeakPolarHBondContact O-CB 3.27Å; N1125-E1129 PolarHBondContact O-N 2.86Å; E1129-R1131 VanDerWaalsContact C-N 3.33Å; E1129-R1131 PolarHBondContact O-N 3.17Å; E1129-R1132 PolarHBondContact O-N 3.31Å; E1129-R1132 IonicContact OE2-CZ 3.15Å; E1129-R1132 IonicContact OE2-NH1 3.98Å; E1129-R1132 PolarHBondContact OE2-NH1 3.47Å; E1129-L1133 WeakPolarHBondContact O-CB 3.48Å; E1129-L1133 VanDerWaalsContact O-CG 3.28Å; E1129-L1133 WeakPolarHBondContact O-CG 3.21Å; E1129-L1133 PolarHBondContact O-N 2.95Å |
| 1130 | T | 69.6 | Low | 68.7 | Low | 82 Ų | 82 | 104.2 Ų | 104.2 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 168.6 | -54.4 | 0 | 0 | 0 | 0 | 111 | F1126 L1133 Q1134 | F1126-T1130 VanDerWaalsContact O-CB 3.27Å; F1126-T1130 WeakPolarHBondContact O-CB 3.14Å; F1126-T1130 PolarHBondContact O-N 3.34Å; F1126-T1130 PolarHBondContact O-OG1 2.83Å; T1130-L1133 PolarHBondContact O-N 3.06Å; T1130-Q1134 WeakPolarHBondContact O-CB 3.45Å; T1130-Q1134 PolarHBondContact O-N 3.26Å |
| 1131 | R | 67.7 | Low | 69.2 | Low | 146 Ų | 146 | 103.3 Ų | 103.3 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 172.8 | -82.6 | -175.8 | -91.3 | -156.4 | -1.6 | 112.3 | E1124 R1127 Q1128 E1129 L1133 Q1134 D1135 | E1124-R1131 IonicContact OE1-CZ 3.68Å; E1124-R1131 IonicContact OE1-NH2 3.56Å; E1124-R1131 PolarHBondContact OE1-NH2 2.96Å; R1127-R1131 WeakPolarHBondContact O-CB 3.37Å; R1127-R1131 WeakPolarHBondContact O-CG 3.45Å; R1127-R1131 PolarHBondContact O-N 3.14Å; R1127-R1131 PolarHBondContact O-NE 3.49Å; Q1128-R1131 CarbonylContact O-C 2.85Å; Q1128-R1131 PolarHBondContact O-N 2.92Å; E1129-R1131 VanDerWaalsContact C-N 3.33Å; E1129-R1131 PolarHBondContact O-N 3.17Å; R1131-L1133 VanDerWaalsContact C-N 3.3Å; R1131-L1133 PolarHBondContact O-N 2.89Å; R1131-Q1134 WeakPolarHBondContact O-CB 3.27Å; R1131-Q1134 PolarHBondContact O-N 2.83Å; R1131-Q1134 VanDerWaalsContact O-N 3.15Å; R1131-D1135 PolarHBondContact O-N 2.76Å |
| 1132 | R | 66.7 | Low | 69.7 | Low | 122 Ų | 122 | 99.3 Ų | 99.3 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | 173 | -76.8 | -166.5 | 179.9 | 97.2 | 9.3 | 112.1 | Q1128 E1129 D1135 H1136 | Q1128-R1132 PolarHBondContact O-N 3.43Å; E1129-R1132 PolarHBondContact O-N 3.31Å; E1129-R1132 IonicContact OE2-CZ 3.15Å; E1129-R1132 IonicContact OE2-NH1 3.98Å; E1129-R1132 PolarHBondContact OE2-NH1 3.47Å; R1132-D1135 PolarHBondContact O-N 3.07Å; R1132-H1136 WeakPolarHBondContact O-CB 3.42Å; R1132-H1136 PolarHBondContact O-N 3.42Å; R1132-H1136 PolarHBondContact O-ND1 3Å |
| 1133 | L | 72.7 | Confident | 69.8 | Low | 104 Ų | 104 | 98.7 Ų | 98.7 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 177.1 | -71.9 | 169.1 | 0 | 0 | 0 | 111.5 | E1129 T1130 R1131 H1136 I1137 | E1129-L1133 WeakPolarHBondContact O-CB 3.48Å; E1129-L1133 VanDerWaalsContact O-CG 3.28Å; E1129-L1133 WeakPolarHBondContact O-CG 3.21Å; E1129-L1133 PolarHBondContact O-N 2.95Å; T1130-L1133 PolarHBondContact O-N 3.06Å; R1131-L1133 VanDerWaalsContact C-N 3.3Å; R1131-L1133 PolarHBondContact O-N 2.89Å; L1133-H1136 PolarHBondContact O-N 3.36Å; L1133-I1137 WeakPolarHBondContact O-CB 3.27Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.42Å; L1133-I1137 PolarHBondContact O-N 3.04Å |
| 1134 | Q | 71.8 | Confident | 68.8 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 173.8 | -158.7 | 70.7 | 23.3 | 0 | 0 | 111.7 | T1130 R1131 I1137 A1138 | T1130-Q1134 WeakPolarHBondContact O-CB 3.45Å; T1130-Q1134 PolarHBondContact O-N 3.26Å; R1131-Q1134 WeakPolarHBondContact O-CB 3.27Å; R1131-Q1134 PolarHBondContact O-N 2.83Å; R1131-Q1134 VanDerWaalsContact O-N 3.15Å; Q1134-I1137 PolarHBondContact O-N 2.97Å; Q1134-A1138 PolarHBondContact O-N 2.79Å |
| 1135 | D | 74.5 | Confident | 68 | Low | 104 Ų | 104 | 100.2 Ų | 100.2 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 175.5 | -68.6 | -29.9 | 0 | 0 | 0 | 111.5 | R1131 R1132 I1137 A1138 V1139 | R1131-D1135 PolarHBondContact O-N 2.76Å; R1132-D1135 PolarHBondContact O-N 3.07Å; D1135-I1137 VanDerWaalsContact C-N 3.34Å; D1135-I1137 PolarHBondContact O-N 3.41Å; D1135-A1138 PolarHBondContact O-N 3.08Å; D1135-V1139 WeakPolarHBondContact O-CB 3.36Å; D1135-V1139 WeakPolarHBondContact O-CG2 3.27Å; D1135-V1139 PolarHBondContact O-N 2.81Å |
| 1136 | H | 69.8 | Low | 67.4 | Low | 113 Ų | 113 | 99.5 Ų | 99.5 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 172.4 | -81 | 82.9 | 0 | 0 | 0 | 112 | R1132 L1133 V1139 L1140 | R1132-H1136 WeakPolarHBondContact O-CB 3.42Å; R1132-H1136 PolarHBondContact O-N 3.42Å; R1132-H1136 PolarHBondContact O-ND1 3Å; L1133-H1136 PolarHBondContact O-N 3.36Å; H1136-V1139 PolarHBondContact O-N 2.89Å; H1136-L1140 VanDerWaalsContact O-CB 3.22Å; H1136-L1140 WeakPolarHBondContact O-CB 3.39Å; H1136-L1140 WeakPolarHBondContact O-CD1 3.37Å; H1136-L1140 WeakPolarHBondContact O-CG 3.26Å; H1136-L1140 PolarHBondContact O-N 2.78Å |
| 1137 | I | 72.9 | Confident | 66.7 | Low | 101 Ų | 101 | 98.1 Ų | 98.1 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -40 | 173.6 | -71.7 | 165.2 | 0 | 0 | 0 | 110.5 | L1133 Q1134 D1135 L1140 S1141 | L1133-I1137 WeakPolarHBondContact O-CB 3.27Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.42Å; L1133-I1137 PolarHBondContact O-N 3.04Å; Q1134-I1137 PolarHBondContact O-N 2.97Å; D1135-I1137 VanDerWaalsContact C-N 3.34Å; D1135-I1137 PolarHBondContact O-N 3.41Å; I1137-L1140 PolarHBondContact O-N 2.81Å; I1137-S1141 WeakPolarHBondContact O-CB 3.47Å; I1137-S1141 PolarHBondContact O-N 2.98Å |
| 1138 | A | 73.2 | Confident | 65.9 | Low | 62 Ų | 62 | 93.3 Ų | 93.3 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1134 D1135 S1141 G1142 | Q1134-A1138 PolarHBondContact O-N 2.79Å; D1135-A1138 PolarHBondContact O-N 3.08Å; A1138-S1141 PolarHBondContact O-N 3.3Å; A1138-G1142 PolarHBondContact O-N 2.94Å |
| 1139 | V | 72 | Confident | 65.2 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 176.2 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | D1135 H1136 G1142 H1143 | D1135-V1139 WeakPolarHBondContact O-CB 3.36Å; D1135-V1139 WeakPolarHBondContact O-CG2 3.27Å; D1135-V1139 PolarHBondContact O-N 2.81Å; H1136-V1139 PolarHBondContact O-N 2.89Å; V1139-G1142 PolarHBondContact O-N 3.31Å; V1139-H1143 WeakPolarHBondContact O-CB 3.2Å; V1139-H1143 PolarHBondContact O-CD2 2.84Å; V1139-H1143 PolarHBondContact O-N 3.28Å |
| 1140 | L | 65.5 | Low | 64.5 | Low | 104 Ų | 104 | 94.3 Ų | 94.3 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 176.5 | -74.7 | 168 | 0 | 0 | 0 | 112.4 | H1136 I1137 H1143 L1144 | H1136-L1140 VanDerWaalsContact O-CB 3.22Å; H1136-L1140 WeakPolarHBondContact O-CB 3.39Å; H1136-L1140 WeakPolarHBondContact O-CD1 3.37Å; H1136-L1140 WeakPolarHBondContact O-CG 3.26Å; H1136-L1140 PolarHBondContact O-N 2.78Å; I1137-L1140 PolarHBondContact O-N 2.81Å; L1140-H1143 CarbonylContact O-C 3.59Å; L1140-H1143 PolarHBondContact O-N 3.44Å; L1140-L1144 WeakPolarHBondContact O-CG 3.17Å; L1140-L1144 PolarHBondContact O-N 3.46Å |
| 1141 | S | 70.6 | Confident | 64 | Low | 73 Ų | 73 | 91.6 Ų | 91.6 | 51% | 0.51 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 173.1 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | I1137 A1138 H1143 L1144 S1145 | I1137-S1141 WeakPolarHBondContact O-CB 3.47Å; I1137-S1141 PolarHBondContact O-N 2.98Å; A1138-S1141 PolarHBondContact O-N 3.3Å; S1141-H1143 VanDerWaalsContact C-N 3.31Å; S1141-H1143 PolarHBondContact O-N 2.84Å; S1141-L1144 PolarHBondContact O-N 3.46Å; S1141-L1144 VanDerWaalsContact O-N 3.16Å; S1141-S1145 PolarHBondContact O-N 3.39Å |
| 1142 | G | 69.5 | Low | 63.5 | Low | 36 Ų | 36 | 88.6 Ų | 88.6 | 37% | 0.371 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | A1138 V1139 S1145 V1146 | A1138-G1142 PolarHBondContact O-N 2.94Å; V1139-G1142 PolarHBondContact O-N 3.31Å; G1142-S1145 CarbonylContact O-C 3.39Å; G1142-S1145 VanDerWaalsContact O-C 3.27Å; G1142-S1145 PolarHBondContact O-N 2.85Å; G1142-V1146 WeakPolarHBondContact O-CG2 3.44Å; G1142-V1146 PolarHBondContact O-N 3.28Å; G1142-V1146 VanDerWaalsContact O-N 3.08Å |
| 1143 | H | 61.4 | Low | 63.1 | Low | 116 Ų | 116 | 85.7 Ų | 85.7 | 54% | 0.537 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.3 | -28.8 | 174.1 | -75.5 | -46.2 | 0 | 0 | 0 | 113.7 | V1139 L1140 S1141 V1146 K1147 | V1139-H1143 WeakPolarHBondContact O-CB 3.2Å; V1139-H1143 PolarHBondContact O-CD2 2.84Å; V1139-H1143 PolarHBondContact O-N 3.28Å; L1140-H1143 CarbonylContact O-C 3.59Å; L1140-H1143 PolarHBondContact O-N 3.44Å; S1141-H1143 VanDerWaalsContact C-N 3.31Å; S1141-H1143 PolarHBondContact O-N 2.84Å; H1143-V1146 CarbonylContact O-C 3.58Å; H1143-V1146 PolarHBondContact O-N 3.13Å; H1143-K1147 VanDerWaalsContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CB 3.33Å; H1143-K1147 PolarHBondContact O-N 2.97Å |
| 1144 | L | 50.9 | Low | 62.6 | Low | 91 Ų | 91 | 83.5 Ų | 83.5 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 169.2 | -74.9 | 165 | 0 | 0 | 0 | 110 | L1140 S1141 V1146 K1147 D1148 | L1140-L1144 WeakPolarHBondContact O-CG 3.17Å; L1140-L1144 PolarHBondContact O-N 3.46Å; S1141-L1144 PolarHBondContact O-N 3.46Å; S1141-L1144 VanDerWaalsContact O-N 3.16Å; L1144-V1146 PolarHBondContact O-N 2.84Å; L1144-K1147 HydrophobicContact CD2-CD 3.88Å; L1144-K1147 WeakPolarHBondContact O-CB 3.45Å; L1144-K1147 PolarHBondContact O-N 3.48Å; L1144-K1147 VanDerWaalsContact O-N 3.1Å; L1144-D1148 PolarHBondContact O-N 2.83Å |
| 1145 | S | 52.9 | Low | 62.7 | Low | 79 Ų | 79 | 80.8 Ų | 80.8 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.5 | 13 | 168.8 | -166.8 | 0 | 0 | 0 | 0 | 114.8 | S1141 G1142 D1148 | S1141-S1145 PolarHBondContact O-N 3.39Å; G1142-S1145 CarbonylContact O-C 3.39Å; G1142-S1145 VanDerWaalsContact O-C 3.27Å; G1142-S1145 PolarHBondContact O-N 2.85Å; S1145-D1148 VanDerWaalsContact C-CB 3.46Å |
| 1146 | V | 55.9 | Low | 62.6 | Low | 84 Ų | 84 | 82 Ų | 82 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -127.7 | -21.2 | 165 | 172 | 0 | 0 | 0 | 0 | 112.4 | G1142 H1143 L1144 D1148 N1149 | G1142-V1146 WeakPolarHBondContact O-CG2 3.44Å; G1142-V1146 PolarHBondContact O-N 3.28Å; G1142-V1146 VanDerWaalsContact O-N 3.08Å; H1143-V1146 CarbonylContact O-C 3.58Å; H1143-V1146 PolarHBondContact O-N 3.13Å; L1144-V1146 PolarHBondContact O-N 2.84Å; V1146-D1148 VanDerWaalsContact C-N 3.33Å; V1146-D1148 CarbonylContact O-C 3.4Å; V1146-D1148 WeakPolarHBondContact O-CB 3.21Å; V1146-N1149 PolarHBondContact O-N 2.92Å; V1146-N1149 PolarHBondContact O-ND2 2.92Å; V1146-N1149 VanDerWaalsContact O-ND2 3.17Å |
| 1147 | K | 52.1 | Low | 62.6 | Low | 118 Ų | 118 | 79.6 Ų | 79.6 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 173.1 | -178.8 | -172.9 | -178.1 | -169.7 | 0 | 111.6 | H1143 L1144 N1149 | H1143-K1147 VanDerWaalsContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CB 3.33Å; H1143-K1147 PolarHBondContact O-N 2.97Å; L1144-K1147 HydrophobicContact CD2-CD 3.88Å; L1144-K1147 WeakPolarHBondContact O-CB 3.45Å; L1144-K1147 PolarHBondContact O-N 3.48Å; L1144-K1147 VanDerWaalsContact O-N 3.1Å; K1147-N1149 PolarHBondContact O-N 3.36Å |
| 1148 | D | 55.2 | Low | 62.4 | Low | 35 Ų | 35 | 76.8 Ų | 76.8 | 19% | 0.187 | 42% | 0.422 | C | S | . | . | G | 310 helix | 22.2 | -97.6 | 119.9 | -131 | 35.4 | 0 | 0 | 0 | 113.2 | E1028 N1029 L1144 S1145 V1146 K1150 I1151 | E1028-D1148 CarbonylContact C-O 3.53Å; E1028-D1148 HydrophobicContact CB-CB 4.49Å; E1028-D1148 PolarHBondContact N-O 2.83Å; N1029-D1148 WeakPolarHBondContact CA-O 3.44Å; N1029-D1148 VanDerWaalsContact N-CA 3.31Å; N1029-D1148 PolarHBondContact N-O 3.07Å; N1029-D1148 PolarHBondContact N-OD1 2.63Å; N1029-D1148 CarbonylContact O-C 3.47Å; N1029-D1148 WeakPolarHBondContact O-CA 3.47Å; N1029-D1148 WeakPolarHBondContact O-CB 3.35Å; L1144-D1148 PolarHBondContact O-N 2.83Å; S1145-D1148 VanDerWaalsContact C-CB 3.46Å; V1146-D1148 VanDerWaalsContact C-N 3.33Å; V1146-D1148 CarbonylContact O-C 3.4Å; V1146-D1148 WeakPolarHBondContact O-CB 3.21Å; D1148-K1150 PolarHBondContact O-N 3.15Å; D1148-I1151 PolarHBondContact O-N 3.1Å | |
| 1149 | N | 56.6 | Low | 62.4 | Low | 69 Ų | 69 | 80.2 Ų | 80.2 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -62.2 | -4 | -149.1 | -70.5 | -92.9 | 0 | 0 | 0 | 117 | N1029 K1030 V1146 K1147 I1151 T1153 | N1029-N1149 WeakPolarHBondContact O-CA 3.31Å; N1029-N1149 PolarHBondContact O-N 2.94Å; K1030-N1149 HydrophobicContact CG-CB 4.29Å; K1030-N1149 WeakPolarHBondContact CG-OD1 3.34Å; V1146-N1149 PolarHBondContact O-N 2.92Å; V1146-N1149 PolarHBondContact O-ND2 2.92Å; V1146-N1149 VanDerWaalsContact O-ND2 3.17Å; K1147-N1149 PolarHBondContact O-N 3.36Å; N1149-I1151 VanDerWaalsContact C-N 3.34Å; N1149-T1153 WeakPolarHBondContact O-CG2 3.23Å; N1149-T1153 PolarHBondContact O-OG1 2.78Å |
| 1150 | K | 52.9 | Low | 62.2 | Low | 136 Ų | 136 | 80.3 Ų | 80.3 | 59% | 0.591 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -75.9 | -6.7 | 177.1 | -58.7 | 176.3 | -177.9 | 179.6 | 0 | 115 | D1148 T1153 | D1148-K1150 PolarHBondContact O-N 3.15Å; K1150-T1153 WeakPolarHBondContact CA-OG1 3.3Å; K1150-T1153 PolarHBondContact O-OG1 3.08Å |
| 1151 | I | 59.8 | Low | 62.2 | Low | 26 Ų | 26 | 78.2 Ų | 78.2 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -74.8 | 177.6 | -76.9 | -149.4 | 0 | 0 | 0 | 110.7 | V1025 Q1026 E1028 N1029 D1148 N1149 T1153 L1154 E1155 | V1025-I1151 WeakPolarHBondContact CG2-O 3.37Å; Q1026-I1151 HydrophobicContact CB-CB 4.3Å; Q1026-I1151 HydrophobicContact CB-CD1 3.67Å; Q1026-I1151 HydrophobicContact CB-CG1 3.55Å; Q1026-I1151 HydrophobicContact CG-CB 3.57Å; Q1026-I1151 HydrophobicContact CG-CD1 3.57Å; Q1026-I1151 HydrophobicContact CG-CG1 3.35Å; Q1026-I1151 HydrophobicContact CG-CG2 3.58Å; E1028-I1151 VanDerWaalsContact C-CG1 3.47Å; E1028-I1151 VanDerWaalsContact CA-CD1 3.41Å; N1029-I1151 HydrophobicContact CB-CB 3.53Å; N1029-I1151 HydrophobicContact CB-CD1 4.09Å; N1029-I1151 HydrophobicContact CB-CG1 3.95Å; N1029-I1151 HydrophobicContact CB-CG2 3.56Å; N1029-I1151 VanDerWaalsContact CG-CB 3.4Å; N1029-I1151 WeakPolarHBondContact ND2-CG2 3.49Å; N1029-I1151 VanDerWaalsContact OD1-CB 3.22Å; N1029-I1151 WeakPolarHBondContact OD1-CB 3.4Å; N1029-I1151 VanDerWaalsContact OD1-CG2 3.27Å; N1029-I1151 WeakPolarHBondContact OD1-CG2 3.01Å; D1148-I1151 PolarHBondContact O-N 3.1Å; N1149-I1151 VanDerWaalsContact C-N 3.34Å; I1151-T1153 VanDerWaalsContact C-N 3.25Å; I1151-T1153 PolarHBondContact O-N 3.26Å; I1151-L1154 PolarHBondContact O-N 3.49Å; I1151-E1155 PolarHBondContact O-N 3.19Å |
| 1152 | E | 56.8 | Low | 62.7 | Low | 82 Ų | 82 | 76.4 Ų | 76.4 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -83.2 | -8.9 | -164.8 | 177.4 | -162.3 | -60.1 | 0 | 0 | 110.9 | N1029 K1030 L1154 E1155 E1156 | N1029-E1152 PolarHBondContact ND2-OE1 2.92Å; N1029-E1152 WeakPolarHBondContact OD1-CB 3.21Å; N1029-E1152 PolarHBondContact OD1-N 2.9Å; K1030-E1152 HydrophobicContact CD-CB 3.96Å; K1030-E1152 HydrophobicContact CD-CG 4.34Å; K1030-E1152 WeakPolarHBondContact CD-OE2 3.36Å; K1030-E1152 WeakPolarHBondContact CE-OE2 3.01Å; K1030-E1152 VanDerWaalsContact NZ-CD 3.34Å; K1030-E1152 IonicContact NZ-OE2 2.66Å; K1030-E1152 PolarHBondContact NZ-OE2 3.5Å; E1152-L1154 VanDerWaalsContact C-N 3.3Å; E1152-E1155 WeakPolarHBondContact CA-OE2 3.48Å; E1152-E1155 WeakPolarHBondContact CB-OE2 3.24Å; E1152-E1156 WeakPolarHBondContact O-CB 3.31Å; E1152-E1156 PolarHBondContact O-N 2.84Å |
| 1153 | T | 57.4 | Low | 63.1 | Low | 62 Ų | 62 | 78.3 Ų | 78.3 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.3 | -27.7 | 164.4 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | N1149 K1150 I1151 T1157 | N1149-T1153 WeakPolarHBondContact O-CG2 3.23Å; N1149-T1153 PolarHBondContact O-OG1 2.78Å; K1150-T1153 WeakPolarHBondContact CA-OG1 3.3Å; K1150-T1153 PolarHBondContact O-OG1 3.08Å; I1151-T1153 VanDerWaalsContact C-N 3.25Å; I1151-T1153 PolarHBondContact O-N 3.26Å; T1153-T1157 PolarHBondContact O-N 2.83Å |
| 1154 | L | 63.6 | Low | 63.8 | Low | 57 Ų | 57 | 80.4 Ų | 80.4 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -93.4 | -16.1 | 177.9 | -152.3 | 167.1 | 0 | 0 | 0 | 110.8 | N1023 V1025 I1151 E1152 T1157 M1158 | N1023-L1154 HydrophobicContact CB-CD2 3.87Å; V1025-L1154 HydrophobicContact CB-CD2 4.29Å; V1025-L1154 HydrophobicContact CG2-CB 3.59Å; V1025-L1154 HydrophobicContact CG2-CD2 4.1Å; V1025-L1154 HydrophobicContact CG2-CG 4.35Å; I1151-L1154 PolarHBondContact O-N 3.49Å; E1152-L1154 VanDerWaalsContact C-N 3.3Å; L1154-T1157 WeakPolarHBondContact CA-OG1 3.34Å; L1154-T1157 PolarHBondContact O-OG1 2.88Å; L1154-T1157 VanDerWaalsContact O-OG1 3.14Å; L1154-M1158 WeakPolarHBondContact O-CB 3.31Å; L1154-M1158 PolarHBondContact O-N 2.9Å |
| 1155 | E | 73.2 | Confident | 65 | Low | 67 Ų | 67 | 76.7 Ų | 76.7 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 155.2 | -74.7 | 163.3 | 157.8 | 0 | 0 | 111.9 | L1024 V1025 Q1026 I1151 E1152 T1157 M1158 E1159 | L1024-E1155 HydrophobicContact CD1-CG 3.88Å; V1025-E1155 HydrophobicContact CG2-CG 4.22Å; Q1026-E1155 VanDerWaalsContact NE2-CD 3.27Å; Q1026-E1155 PolarHBondContact NE2-OE1 3.27Å; I1151-E1155 PolarHBondContact O-N 3.19Å; E1152-E1155 WeakPolarHBondContact CA-OE2 3.48Å; E1152-E1155 WeakPolarHBondContact CB-OE2 3.24Å; E1155-T1157 VanDerWaalsContact C-N 3.32Å; E1155-T1157 PolarHBondContact O-N 2.99Å; E1155-M1158 WeakPolarHBondContact O-CA 3.38Å; E1155-M1158 WeakPolarHBondContact O-CB 3.43Å; E1155-M1158 PolarHBondContact O-N 2.98Å; E1155-E1159 PolarHBondContact O-N 2.77Å |
| 1156 | E | 71.7 | Confident | 66.2 | Low | 130 Ų | 130 | 78.9 Ų | 78.9 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 175.2 | -169.7 | 173.7 | -169.7 | 0 | 0 | 112 | E1152 M1158 S1160 | E1152-E1156 WeakPolarHBondContact O-CB 3.31Å; E1152-E1156 PolarHBondContact O-N 2.84Å; E1156-M1158 VanDerWaalsContact C-N 3.32Å; E1156-S1160 VanDerWaalsContact O-CB 3.27Å; E1156-S1160 WeakPolarHBondContact O-CB 3.36Å; E1156-S1160 PolarHBondContact O-N 3.49Å; E1156-S1160 VanDerWaalsContact O-N 3.15Å |
| 1157 | T | 71.2 | Confident | 67.3 | Low | 62 Ų | 62 | 80.7 Ų | 80.7 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.1 | -21 | 169.4 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | N1023 T1153 L1154 E1155 M1161 | N1023-T1157 WeakPolarHBondContact ND2-CB 3.46Å; N1023-T1157 PolarHBondContact ND2-O 2.85Å; N1023-T1157 PolarHBondContact ND2-OG1 3.44Å; N1023-T1157 VanDerWaalsContact ND2-OG1 3.15Å; T1153-T1157 PolarHBondContact O-N 2.83Å; L1154-T1157 WeakPolarHBondContact CA-OG1 3.34Å; L1154-T1157 PolarHBondContact O-OG1 2.88Å; L1154-T1157 VanDerWaalsContact O-OG1 3.14Å; E1155-T1157 VanDerWaalsContact C-N 3.32Å; E1155-T1157 PolarHBondContact O-N 2.99Å; T1157-M1161 WeakPolarHBondContact O-CB 3.4Å; T1157-M1161 PolarHBondContact O-N 2.79Å; T1157-M1161 VanDerWaalsContact O-N 3.13Å |
| 1158 | M | 68.9 | Low | 68 | Low | 41 Ų | 41 | 79.2 Ų | 79.2 | 20% | 0.202 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.4 | -57 | 172.3 | -172.4 | -156.5 | -145.2 | 0 | 0 | 110.3 | Q1022 N1023 L1024 L1154 E1155 E1156 M1161 V1162 | Q1022-M1158 HydrophobicContact CB-CG 4.41Å; Q1022-M1158 HydrophobicContact CG-CB 4.44Å; Q1022-M1158 HydrophobicContact CG-CE 3.5Å; Q1022-M1158 VanDerWaalsContact CG-CE 3.5Å; Q1022-M1158 HydrophobicContact CG-CG 3.16Å; Q1022-M1158 HydrophobicContact CG-SD 4.03Å; Q1022-M1158 VanDerWaalsContact NE2-CE 3.34Å; N1023-M1158 HydrophobicContact CB-CB 4.21Å; N1023-M1158 WeakPolarHBondContact O-CG 3.43Å; L1024-M1158 HydrophobicContact CD1-CB 3.57Å; L1024-M1158 HydrophobicContact CD1-CE 3.63Å; L1024-M1158 HydrophobicContact CD1-CG 3.55Å; L1024-M1158 HydrophobicContact CD1-SD 3.43Å; L1024-M1158 WeakPolarHBondContact CD1-SD 3.49Å; L1024-M1158 HydrophobicContact CD2-CE 3.23Å; L1024-M1158 HydrophobicContact CD2-SD 4.04Å; L1024-M1158 HydrophobicContact CG-CE 3.89Å; L1024-M1158 HydrophobicContact CG-SD 4.31Å; L1154-M1158 WeakPolarHBondContact O-CB 3.31Å; L1154-M1158 PolarHBondContact O-N 2.9Å; E1155-M1158 WeakPolarHBondContact O-CA 3.38Å; E1155-M1158 WeakPolarHBondContact O-CB 3.43Å; E1155-M1158 PolarHBondContact O-N 2.98Å; E1156-M1158 VanDerWaalsContact C-N 3.32Å; M1158-M1161 CarbonylContact O-C 3.55Å; M1158-M1161 WeakPolarHBondContact O-CA 3.43Å; M1158-M1161 WeakPolarHBondContact O-CB 3.38Å; M1158-M1161 PolarHBondContact O-N 2.86Å; M1158-V1162 PolarHBondContact O-N 2.99Å |
| 1159 | E | 73 | Confident | 69.2 | Low | 135 Ų | 135 | 82.2 Ų | 82.2 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | -176.7 | -62.5 | -171.3 | 152.6 | 0 | 0 | 111.5 | E1155 M1161 V1162 V1163 | E1155-E1159 PolarHBondContact O-N 2.77Å; E1159-M1161 PolarHBondContact O-N 2.99Å; E1159-V1162 WeakPolarHBondContact O-CB 3.16Å; E1159-V1162 PolarHBondContact O-N 3.42Å; E1159-V1163 WeakPolarHBondContact O-CG2 3.42Å; E1159-V1163 PolarHBondContact O-N 2.83Å |
| 1160 | S | 67.8 | Low | 70.1 | Confident | 83 Ų | 83 | 81.9 Ų | 81.9 | 58% | 0.58 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -55.2 | -38.2 | 169.6 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | E1156 R1164 | E1156-S1160 VanDerWaalsContact O-CB 3.27Å; E1156-S1160 WeakPolarHBondContact O-CB 3.36Å; E1156-S1160 PolarHBondContact O-N 3.49Å; E1156-S1160 VanDerWaalsContact O-N 3.15Å; S1160-R1164 WeakPolarHBondContact O-CB 3.19Å; S1160-R1164 PolarHBondContact O-N 2.89Å |
| 1161 | M | 65.3 | Low | 71.3 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 30% | 0.296 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.5 | -37.9 | 173.9 | -160.5 | -179.3 | -72.6 | 0 | 0 | 112 | L1021 Q1022 N1023 T1157 M1158 E1159 V1163 R1164 I1165 | L1021-M1161 VanDerWaalsContact C-SD 3.59Å; L1021-M1161 HydrophobicContact CD2-CB 4.12Å; L1021-M1161 HydrophobicContact CD2-CG 4.23Å; Q1022-M1161 PolarHBondContact N-SD 3.5Å; Q1022-M1161 VanDerWaalsContact N-SD 3.39Å; N1023-M1161 WeakPolarHBondContact ND2-CE 3.44Å; T1157-M1161 WeakPolarHBondContact O-CB 3.4Å; T1157-M1161 PolarHBondContact O-N 2.79Å; T1157-M1161 VanDerWaalsContact O-N 3.13Å; M1158-M1161 CarbonylContact O-C 3.55Å; M1158-M1161 WeakPolarHBondContact O-CA 3.43Å; M1158-M1161 WeakPolarHBondContact O-CB 3.38Å; M1158-M1161 PolarHBondContact O-N 2.86Å; E1159-M1161 PolarHBondContact O-N 2.99Å; M1161-V1163 PolarHBondContact O-N 3.43Å; M1161-R1164 PolarHBondContact O-N 3.39Å; M1161-I1165 HydrophobicContact CG-CD1 3.45Å; M1161-I1165 VanDerWaalsContact CG-CD1 3.45Å; M1161-I1165 WeakPolarHBondContact O-CD1 3.43Å; M1161-I1165 PolarHBondContact O-N 2.98Å; M1161-I1165 VanDerWaalsContact O-N 3.09Å; M1161-I1165 HydrophobicContact SD-CD1 4.35Å |
| 1162 | V | 81.1 | Confident | 72 | Confident | 36 Ų | 36 | 82.9 Ų | 82.9 | 22% | 0.218 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -54.1 | -57.2 | 173.5 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | L1021 M1158 E1159 R1164 I1165 E1166 | L1021-V1162 HydrophobicContact CD1-CB 4.48Å; L1021-V1162 HydrophobicContact CD1-CG2 4.19Å; L1021-V1162 HydrophobicContact CD2-CB 4.12Å; L1021-V1162 HydrophobicContact CD2-CG2 3.62Å; L1021-V1162 VanDerWaalsContact CD2-N 3.34Å; M1158-V1162 PolarHBondContact O-N 2.99Å; E1159-V1162 WeakPolarHBondContact O-CB 3.16Å; E1159-V1162 PolarHBondContact O-N 3.42Å; V1162-R1164 VanDerWaalsContact C-N 3.28Å; V1162-R1164 PolarHBondContact O-N 2.94Å; V1162-I1165 PolarHBondContact O-N 3Å; V1162-E1166 HydrophobicContact CG1-CG 4.38Å; V1162-E1166 PolarHBondContact O-N 3.35Å |
| 1163 | V | 78.1 | Confident | 72.9 | Confident | 75 Ų | 75 | 84.1 Ų | 84.1 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.2 | -39.9 | -175.8 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | E1159 M1161 I1165 Q1167 | E1159-V1163 WeakPolarHBondContact O-CG2 3.42Å; E1159-V1163 PolarHBondContact O-N 2.83Å; M1161-V1163 PolarHBondContact O-N 3.43Å; V1163-I1165 VanDerWaalsContact C-N 3.28Å; V1163-I1165 PolarHBondContact O-N 3.18Å; V1163-Q1167 WeakPolarHBondContact O-CB 3.41Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.36Å; V1163-Q1167 PolarHBondContact O-N 3.49Å |
| 1164 | R | 74.9 | Confident | 73.9 | Confident | 161 Ų | 161 | 86.8 Ų | 86.8 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.8 | -30.8 | 175.6 | -174.3 | 174.3 | 179.7 | 81.4 | 1.4 | 113.1 | S1160 M1161 V1162 L1168 | S1160-R1164 WeakPolarHBondContact O-CB 3.19Å; S1160-R1164 PolarHBondContact O-N 2.89Å; M1161-R1164 PolarHBondContact O-N 3.39Å; V1162-R1164 VanDerWaalsContact C-N 3.28Å; V1162-R1164 PolarHBondContact O-N 2.94Å; R1164-L1168 HydrophobicContact CG-CD1 4.39Å; R1164-L1168 VanDerWaalsContact O-CG 3.28Å; R1164-L1168 WeakPolarHBondContact O-CG 3.31Å; R1164-L1168 PolarHBondContact O-N 3.44Å |
| 1165 | I | 77.5 | Confident | 74.5 | Confident | 13 Ų | 13 | 88.7 Ų | 88.7 | 7% | 0.067 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -89 | -32.4 | -178.1 | -82.3 | 122.2 | 0 | 0 | 0 | 113.2 | S1020 L1021 M1161 V1162 V1163 Q1167 L1168 Q1169 | S1020-I1165 WeakPolarHBondContact O-CD1 3.35Å; S1020-I1165 WeakPolarHBondContact O-CG1 3.4Å; S1020-I1165 WeakPolarHBondContact OG-CD1 3.47Å; S1020-I1165 WeakPolarHBondContact OG-CG1 3.48Å; L1021-I1165 HydrophobicContact CB-CD1 4.4Å; L1021-I1165 HydrophobicContact CG-CB 4.36Å; L1021-I1165 HydrophobicContact CG-CD1 4.13Å; L1021-I1165 HydrophobicContact CG-CG2 4.36Å; M1161-I1165 HydrophobicContact CG-CD1 3.45Å; M1161-I1165 VanDerWaalsContact CG-CD1 3.45Å; M1161-I1165 WeakPolarHBondContact O-CD1 3.43Å; M1161-I1165 PolarHBondContact O-N 2.98Å; M1161-I1165 VanDerWaalsContact O-N 3.09Å; M1161-I1165 HydrophobicContact SD-CD1 4.35Å; V1162-I1165 PolarHBondContact O-N 3Å; V1163-I1165 VanDerWaalsContact C-N 3.28Å; V1163-I1165 PolarHBondContact O-N 3.18Å; I1165-Q1167 VanDerWaalsContact C-N 3.29Å; I1165-L1168 HydrophobicContact CG1-CD1 4.38Å; I1165-L1168 PolarHBondContact O-N 3.07Å; I1165-Q1169 WeakPolarHBondContact O-CB 3.24Å; I1165-Q1169 WeakPolarHBondContact O-CG 3.38Å; I1165-Q1169 PolarHBondContact O-N 2.99Å |
| 1166 | E | 77.3 | Confident | 74.7 | Confident | 125 Ų | 125 | 89.2 Ų | 89.2 | 58% | 0.584 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 164.2 | -66.7 | -171 | 146.7 | 0 | 0 | 110.8 | V1162 Q1169 A1170 | V1162-E1166 HydrophobicContact CG1-CG 4.38Å; V1162-E1166 PolarHBondContact O-N 3.35Å; E1166-Q1169 PolarHBondContact O-N 3.21Å; E1166-A1170 WeakPolarHBondContact O-CB 3.42Å; E1166-A1170 PolarHBondContact O-N 2.93Å |
| 1167 | Q | 78.9 | Confident | 75 | Confident | 122 Ų | 122 | 86 Ų | 86 | 57% | 0.57 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 171.8 | -74.9 | 170.3 | 8.2 | 0 | 0 | 112.8 | V1163 I1165 A1170 L1171 | V1163-Q1167 WeakPolarHBondContact O-CB 3.41Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.36Å; V1163-Q1167 PolarHBondContact O-N 3.49Å; I1165-Q1167 VanDerWaalsContact C-N 3.29Å; Q1167-A1170 PolarHBondContact O-N 2.95Å; Q1167-L1171 WeakPolarHBondContact O-CB 3.34Å; Q1167-L1171 PolarHBondContact O-N 3.34Å |
| 1168 | L | 67.9 | Low | 75.5 | Confident | 87 Ų | 87 | 87.3 Ų | 87.3 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.9 | -76.8 | 166 | 0 | 0 | 0 | 112 | R1164 I1165 L1171 D1172 | R1164-L1168 HydrophobicContact CG-CD1 4.39Å; R1164-L1168 VanDerWaalsContact O-CG 3.28Å; R1164-L1168 WeakPolarHBondContact O-CG 3.31Å; R1164-L1168 PolarHBondContact O-N 3.44Å; I1165-L1168 HydrophobicContact CG1-CD1 4.38Å; I1165-L1168 PolarHBondContact O-N 3.07Å; L1168-L1171 PolarHBondContact O-N 2.74Å; L1168-D1172 WeakPolarHBondContact O-CB 3.46Å; L1168-D1172 PolarHBondContact O-N 2.83Å |
| 1169 | Q | 78.6 | Confident | 76.1 | Confident | 98 Ų | 98 | 89.3 Ų | 89.3 | 46% | 0.458 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 174.5 | -74.9 | -175.3 | -7.9 | 0 | 0 | 112.1 | I1165 E1166 D1172 N1173 | I1165-Q1169 WeakPolarHBondContact O-CB 3.24Å; I1165-Q1169 WeakPolarHBondContact O-CG 3.38Å; I1165-Q1169 PolarHBondContact O-N 2.99Å; E1166-Q1169 PolarHBondContact O-N 3.21Å; Q1169-D1172 PolarHBondContact O-N 3.46Å; Q1169-N1173 VanDerWaalsContact O-CB 3.27Å; Q1169-N1173 WeakPolarHBondContact O-CB 3.23Å; Q1169-N1173 PolarHBondContact O-N 3.27Å; Q1169-N1173 PolarHBondContact O-ND2 3.46Å |
| 1170 | A | 76.4 | Confident | 76.5 | Confident | 62 Ų | 62 | 89.2 Ų | 89.2 | 51% | 0.512 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1166 Q1167 F1174 | E1166-A1170 WeakPolarHBondContact O-CB 3.42Å; E1166-A1170 PolarHBondContact O-N 2.93Å; Q1167-A1170 PolarHBondContact O-N 2.95Å; A1170-F1174 WeakPolarHBondContact O-CB 3.25Å; A1170-F1174 PolarHBondContact O-N 2.67Å |
| 1171 | L | 78.7 | Confident | 77.2 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 176.9 | -173.9 | 66.2 | 0 | 0 | 0 | 112.5 | Q1167 L1168 F1174 K1175 | Q1167-L1171 WeakPolarHBondContact O-CB 3.34Å; Q1167-L1171 PolarHBondContact O-N 3.34Å; L1168-L1171 PolarHBondContact O-N 2.74Å; L1171-F1174 PolarHBondContact O-N 3.43Å; L1171-K1175 WeakPolarHBondContact O-CG 3.35Å; L1171-K1175 PolarHBondContact O-N 3.39Å |
| 1172 | D | 73.4 | Confident | 77.8 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.3 | -40 | 178.6 | -153.4 | 61.8 | 0 | 0 | 0 | 111.2 | L1168 Q1169 F1174 K1175 N1176 | L1168-D1172 WeakPolarHBondContact O-CB 3.46Å; L1168-D1172 PolarHBondContact O-N 2.83Å; Q1169-D1172 PolarHBondContact O-N 3.46Å; D1172-F1174 VanDerWaalsContact C-N 3.32Å; D1172-F1174 PolarHBondContact O-N 2.98Å; D1172-K1175 PolarHBondContact O-N 2.98Å; D1172-N1176 WeakPolarHBondContact O-CB 3.27Å; D1172-N1176 VanDerWaalsContact O-CG 3.25Å; D1172-N1176 PolarHBondContact O-N 3.44Å; D1172-N1176 PolarHBondContact O-ND2 3.37Å; D1172-N1176 PolarHBondContact OD2-ND2 2.83Å |
| 1173 | N | 76.6 | Confident | 77.6 | Confident | 109 Ų | 109 | 97 Ų | 97 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.5 | -39.8 | 169.9 | -75 | -36.8 | 0 | 0 | 0 | 112.1 | Q1169 N1176 S1177 | Q1169-N1173 VanDerWaalsContact O-CB 3.27Å; Q1169-N1173 WeakPolarHBondContact O-CB 3.23Å; Q1169-N1173 PolarHBondContact O-N 3.27Å; Q1169-N1173 PolarHBondContact O-ND2 3.46Å; N1173-N1176 PolarHBondContact O-N 2.92Å; N1173-S1177 PolarHBondContact O-N 2.89Å; N1173-S1177 PolarHBondContact O-OG 3.45Å |
| 1174 | F | 77.4 | Confident | 77.6 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 175 | -173.6 | -96.1 | 0 | 0 | 0 | 111.4 | A1170 L1171 D1172 N1176 S1177 E1178 | A1170-F1174 WeakPolarHBondContact O-CB 3.25Å; A1170-F1174 PolarHBondContact O-N 2.67Å; L1171-F1174 PolarHBondContact O-N 3.43Å; D1172-F1174 VanDerWaalsContact C-N 3.32Å; D1172-F1174 PolarHBondContact O-N 2.98Å; F1174-N1176 VanDerWaalsContact C-N 3.33Å; F1174-N1176 PolarHBondContact O-N 3.32Å; F1174-S1177 WeakPolarHBondContact O-CA 3.48Å; F1174-S1177 PolarHBondContact O-N 2.86Å; F1174-S1177 VanDerWaalsContact O-N 3.07Å; F1174-S1177 PolarHBondContact O-OG 3.02Å; F1174-E1178 HydrophobicContact CD1-CG 4.25Å; F1174-E1178 VanDerWaalsContact CE1-CD 3.41Å; F1174-E1178 HydrophobicContact CE1-CG 3.92Å; F1174-E1178 WeakPolarHBondContact CE1-OE1 3.45Å; F1174-E1178 HydrophobicContact CZ-CG 4.4Å; F1174-E1178 PolarHBondContact O-N 3.37Å |
| 1175 | K | 77.5 | Confident | 77.9 | Confident | 98 Ų | 98 | 92.3 Ų | 92.3 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 174.4 | -75.3 | -178.8 | 175.6 | -173.7 | 0 | 113.1 | L1171 D1172 S1177 E1178 I1179 | L1171-K1175 WeakPolarHBondContact O-CG 3.35Å; L1171-K1175 PolarHBondContact O-N 3.39Å; D1172-K1175 PolarHBondContact O-N 2.98Å; K1175-S1177 VanDerWaalsContact C-N 3.29Å; K1175-S1177 PolarHBondContact O-N 3.4Å; K1175-E1178 PolarHBondContact O-N 3.02Å; K1175-I1179 WeakPolarHBondContact O-CB 3.21Å; K1175-I1179 VanDerWaalsContact O-CG1 3.25Å; K1175-I1179 WeakPolarHBondContact O-CG1 3.41Å; K1175-I1179 PolarHBondContact O-N 3.19Å |
| 1176 | N | 75.7 | Confident | 78 | Confident | 78 Ų | 78 | 95.6 Ų | 95.6 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -33.1 | 175.6 | -73.4 | -45.2 | 0 | 0 | 0 | 111.4 | D1172 N1173 F1174 H1180 | D1172-N1176 WeakPolarHBondContact O-CB 3.27Å; D1172-N1176 VanDerWaalsContact O-CG 3.25Å; D1172-N1176 PolarHBondContact O-N 3.44Å; D1172-N1176 PolarHBondContact O-ND2 3.37Å; D1172-N1176 PolarHBondContact OD2-ND2 2.83Å; N1173-N1176 PolarHBondContact O-N 2.92Å; F1174-N1176 VanDerWaalsContact C-N 3.33Å; F1174-N1176 PolarHBondContact O-N 3.32Å; N1176-H1180 VanDerWaalsContact O-CB 3.31Å; N1176-H1180 WeakPolarHBondContact O-CB 3.21Å; N1176-H1180 PolarHBondContact O-N 3.45Å |
| 1177 | S | 78 | Confident | 77.9 | Confident | 63 Ų | 63 | 94.6 Ų | 94.6 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.7 | -41 | 169.9 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | N1173 F1174 K1175 I1179 H1180 E1181 | N1173-S1177 PolarHBondContact O-N 2.89Å; N1173-S1177 PolarHBondContact O-OG 3.45Å; F1174-S1177 WeakPolarHBondContact O-CA 3.48Å; F1174-S1177 PolarHBondContact O-N 2.86Å; F1174-S1177 VanDerWaalsContact O-N 3.07Å; F1174-S1177 PolarHBondContact O-OG 3.02Å; K1175-S1177 VanDerWaalsContact C-N 3.29Å; K1175-S1177 PolarHBondContact O-N 3.4Å; S1177-I1179 PolarHBondContact O-N 2.97Å; S1177-H1180 PolarHBondContact O-N 3.41Å; S1177-E1181 WeakPolarHBondContact O-CB 3.42Å; S1177-E1181 PolarHBondContact O-N 3.25Å |
| 1178 | E | 82.5 | Confident | 77.7 | Confident | 89 Ų | 89 | 94.7 Ų | 94.7 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 173 | -68.6 | -178.8 | 131.1 | 0 | 0 | 111.5 | F1174 K1175 E1181 L1182 | F1174-E1178 HydrophobicContact CD1-CG 4.25Å; F1174-E1178 VanDerWaalsContact CE1-CD 3.41Å; F1174-E1178 HydrophobicContact CE1-CG 3.92Å; F1174-E1178 WeakPolarHBondContact CE1-OE1 3.45Å; F1174-E1178 HydrophobicContact CZ-CG 4.4Å; F1174-E1178 PolarHBondContact O-N 3.37Å; K1175-E1178 PolarHBondContact O-N 3.02Å; E1178-E1181 PolarHBondContact O-N 3.44Å; E1178-L1182 WeakPolarHBondContact O-CB 3.25Å; E1178-L1182 VanDerWaalsContact O-CG 3.23Å; E1178-L1182 WeakPolarHBondContact O-CG 3.44Å; E1178-L1182 PolarHBondContact O-N 3.14Å |
| 1179 | I | 81.8 | Confident | 77.4 | Confident | 83 Ų | 83 | 95.2 Ų | 95.2 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.2 | -70.4 | 164.9 | 0 | 0 | 0 | 110.9 | K1175 S1177 L1182 Q1183 | K1175-I1179 WeakPolarHBondContact O-CB 3.21Å; K1175-I1179 VanDerWaalsContact O-CG1 3.25Å; K1175-I1179 WeakPolarHBondContact O-CG1 3.41Å; K1175-I1179 PolarHBondContact O-N 3.19Å; S1177-I1179 PolarHBondContact O-N 2.97Å; I1179-L1182 PolarHBondContact O-N 3.05Å; I1179-Q1183 WeakPolarHBondContact O-CB 3.46Å; I1179-Q1183 VanDerWaalsContact O-CG 3.26Å; I1179-Q1183 WeakPolarHBondContact O-CG 3.45Å; I1179-Q1183 PolarHBondContact O-N 3.18Å |
| 1180 | H | 80.5 | Confident | 77.1 | Confident | 133 Ų | 133 | 98.4 Ų | 98.4 | 62% | 0.616 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.5 | -31.9 | 178.6 | -161.2 | -45 | 0 | 0 | 0 | 112.3 | N1176 S1177 S1184 | N1176-H1180 VanDerWaalsContact O-CB 3.31Å; N1176-H1180 WeakPolarHBondContact O-CB 3.21Å; N1176-H1180 PolarHBondContact O-N 3.45Å; S1177-H1180 PolarHBondContact O-N 3.41Å; H1180-S1184 WeakPolarHBondContact O-CB 3.38Å; H1180-S1184 PolarHBondContact O-N 3.48Å |
| 1181 | E | 82.2 | Confident | 76.6 | Confident | 133 Ų | 133 | 96.8 Ų | 96.8 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.6 | -43.4 | 172.1 | -171.1 | 167.8 | -144.4 | 0 | 0 | 111 | S1177 E1178 Q1183 S1184 I1185 | S1177-E1181 WeakPolarHBondContact O-CB 3.42Å; S1177-E1181 PolarHBondContact O-N 3.25Å; E1178-E1181 PolarHBondContact O-N 3.44Å; E1181-Q1183 PolarHBondContact O-N 3.32Å; E1181-S1184 CarbonylContact O-C 3.49Å; E1181-S1184 WeakPolarHBondContact O-CB 3.41Å; E1181-S1184 PolarHBondContact O-N 3.06Å; E1181-S1184 VanDerWaalsContact O-N 3.14Å; E1181-I1185 HydrophobicContact CG-CD1 4.11Å; E1181-I1185 VanDerWaalsContact O-CG1 3.31Å; E1181-I1185 WeakPolarHBondContact O-CG1 3.35Å; E1181-I1185 PolarHBondContact O-N 2.93Å |
| 1182 | L | 78.6 | Confident | 75.9 | Confident | 102 Ų | 102 | 96.7 Ų | 96.7 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 172.2 | -73.7 | 169.7 | 0 | 0 | 0 | 112.3 | E1178 I1179 I1185 I1186 | E1178-L1182 WeakPolarHBondContact O-CB 3.25Å; E1178-L1182 VanDerWaalsContact O-CG 3.23Å; E1178-L1182 WeakPolarHBondContact O-CG 3.44Å; E1178-L1182 PolarHBondContact O-N 3.14Å; I1179-L1182 PolarHBondContact O-N 3.05Å; L1182-I1185 PolarHBondContact O-N 3.4Å; L1182-I1186 WeakPolarHBondContact O-CB 3.28Å; L1182-I1186 WeakPolarHBondContact O-CD1 3.35Å; L1182-I1186 VanDerWaalsContact O-CG1 3.24Å; L1182-I1186 WeakPolarHBondContact O-CG1 3.34Å; L1182-I1186 PolarHBondContact O-N 3.43Å |
| 1183 | Q | 78 | Confident | 74.9 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 172.8 | -76.3 | 174.7 | -2.6 | 0 | 0 | 111.7 | I1179 E1181 I1186 N1187 | I1179-Q1183 WeakPolarHBondContact O-CB 3.46Å; I1179-Q1183 VanDerWaalsContact O-CG 3.26Å; I1179-Q1183 WeakPolarHBondContact O-CG 3.45Å; I1179-Q1183 PolarHBondContact O-N 3.18Å; E1181-Q1183 PolarHBondContact O-N 3.32Å; Q1183-I1186 PolarHBondContact O-N 2.89Å; Q1183-N1187 WeakPolarHBondContact O-CB 3.49Å; Q1183-N1187 PolarHBondContact O-N 2.95Å; Q1183-N1187 PolarHBondContact O-ND2 2.83Å |
| 1184 | S | 77.2 | Confident | 73.7 | Confident | 63 Ų | 63 | 99 Ų | 99 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 173 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | H1180 E1181 N1187 Q1188 | H1180-S1184 WeakPolarHBondContact O-CB 3.38Å; H1180-S1184 PolarHBondContact O-N 3.48Å; E1181-S1184 CarbonylContact O-C 3.49Å; E1181-S1184 WeakPolarHBondContact O-CB 3.41Å; E1181-S1184 PolarHBondContact O-N 3.06Å; E1181-S1184 VanDerWaalsContact O-N 3.14Å; S1184-N1187 PolarHBondContact O-N 3.28Å; S1184-Q1188 VanDerWaalsContact O-CB 3.27Å; S1184-Q1188 WeakPolarHBondContact O-CB 3.45Å; S1184-Q1188 PolarHBondContact O-N 2.7Å |
| 1185 | I | 80.7 | Confident | 72.1 | Confident | 75 Ų | 75 | 99.6 Ų | 99.6 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 178.2 | -68.6 | 163.4 | 0 | 0 | 0 | 111.1 | E1181 L1182 N1187 Q1188 L1189 | E1181-I1185 HydrophobicContact CG-CD1 4.11Å; E1181-I1185 VanDerWaalsContact O-CG1 3.31Å; E1181-I1185 WeakPolarHBondContact O-CG1 3.35Å; E1181-I1185 PolarHBondContact O-N 2.93Å; L1182-I1185 PolarHBondContact O-N 3.4Å; I1185-N1187 VanDerWaalsContact C-N 3.34Å; I1185-N1187 PolarHBondContact O-N 2.91Å; I1185-Q1188 PolarHBondContact O-N 2.74Å; I1185-L1189 HydrophobicContact CG2-CD1 3.9Å; I1185-L1189 HydrophobicContact CG2-CG 4.38Å; I1185-L1189 WeakPolarHBondContact O-CB 3.47Å; I1185-L1189 VanDerWaalsContact O-CG 3.27Å; I1185-L1189 WeakPolarHBondContact O-CG 3.22Å; I1185-L1189 PolarHBondContact O-N 3.5Å |
| 1186 | I | 79.6 | Confident | 70.4 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.6 | -71.2 | 163.9 | 0 | 0 | 0 | 111.1 | L1182 Q1183 R1190 | L1182-I1186 WeakPolarHBondContact O-CB 3.28Å; L1182-I1186 WeakPolarHBondContact O-CD1 3.35Å; L1182-I1186 VanDerWaalsContact O-CG1 3.24Å; L1182-I1186 WeakPolarHBondContact O-CG1 3.34Å; L1182-I1186 PolarHBondContact O-N 3.43Å; Q1183-I1186 PolarHBondContact O-N 2.89Å; I1186-R1190 WeakPolarHBondContact O-CB 3.41Å; I1186-R1190 VanDerWaalsContact O-CG 3.27Å; I1186-R1190 WeakPolarHBondContact O-CG 3.43Å; I1186-R1190 PolarHBondContact O-N 2.77Å |
| 1187 | N | 75.2 | Confident | 68.6 | Low | 104 Ų | 104 | 103 Ų | 103 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.9 | -34.1 | 176.2 | -70.6 | -20.9 | 0 | 0 | 0 | 112.3 | Q1183 S1184 I1185 G1191 | Q1183-N1187 WeakPolarHBondContact O-CB 3.49Å; Q1183-N1187 PolarHBondContact O-N 2.95Å; Q1183-N1187 PolarHBondContact O-ND2 2.83Å; S1184-N1187 PolarHBondContact O-N 3.28Å; I1185-N1187 VanDerWaalsContact C-N 3.34Å; I1185-N1187 PolarHBondContact O-N 2.91Å; N1187-G1191 PolarHBondContact O-N 2.97Å |
| 1188 | Q | 75.1 | Confident | 66.3 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -48.1 | 175.3 | -170.5 | 162.8 | 26.5 | 0 | 0 | 111.1 | S1184 I1185 R1190 G1191 D1192 | S1184-Q1188 VanDerWaalsContact O-CB 3.27Å; S1184-Q1188 WeakPolarHBondContact O-CB 3.45Å; S1184-Q1188 PolarHBondContact O-N 2.7Å; I1185-Q1188 PolarHBondContact O-N 2.74Å; Q1188-R1190 VanDerWaalsContact C-N 3.32Å; Q1188-R1190 PolarHBondContact O-N 3.07Å; Q1188-G1191 CarbonylContact O-C 3.53Å; Q1188-G1191 WeakPolarHBondContact O-CA 3.5Å; Q1188-G1191 PolarHBondContact O-N 3.37Å; Q1188-D1192 PolarHBondContact O-N 2.91Å |
| 1189 | L | 61.8 | Low | 63.8 | Low | 98 Ų | 98 | 108.5 Ų | 108.5 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.2 | -41.8 | 174 | -70.8 | 168.3 | 0 | 0 | 0 | 112 | I1185 G1191 D1192 D1193 | I1185-L1189 HydrophobicContact CG2-CD1 3.9Å; I1185-L1189 HydrophobicContact CG2-CG 4.38Å; I1185-L1189 WeakPolarHBondContact O-CB 3.47Å; I1185-L1189 VanDerWaalsContact O-CG 3.27Å; I1185-L1189 WeakPolarHBondContact O-CG 3.22Å; I1185-L1189 PolarHBondContact O-N 3.5Å; L1189-G1191 VanDerWaalsContact C-N 3.27Å; L1189-G1191 PolarHBondContact O-N 3.04Å; L1189-D1192 PolarHBondContact O-N 2.86Å; L1189-D1193 WeakPolarHBondContact O-CB 3.32Å; L1189-D1193 VanDerWaalsContact O-CG 3.3Å; L1189-D1193 PolarHBondContact O-N 3.18Å |
| 1190 | R | 72.4 | Confident | 61.3 | Low | 166 Ų | 166 | 109.3 Ų | 109.3 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.8 | -27 | 173.2 | -73.3 | 174.6 | -176.8 | -165.3 | 1.4 | 113.8 | I1186 Q1188 M1194 | I1186-R1190 WeakPolarHBondContact O-CB 3.41Å; I1186-R1190 VanDerWaalsContact O-CG 3.27Å; I1186-R1190 WeakPolarHBondContact O-CG 3.43Å; I1186-R1190 PolarHBondContact O-N 2.77Å; Q1188-R1190 VanDerWaalsContact C-N 3.32Å; Q1188-R1190 PolarHBondContact O-N 3.07Å; R1190-M1194 WeakPolarHBondContact O-CG 3.43Å; R1190-M1194 PolarHBondContact O-N 3.31Å |
| 1191 | G | 66.3 | Low | 58.9 | Low | 27 Ų | 27 | 108.4 Ų | 108.4 | 28% | 0.278 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.4 | -42.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1187 Q1188 L1189 M1194 N1195 | N1187-G1191 PolarHBondContact O-N 2.97Å; Q1188-G1191 CarbonylContact O-C 3.53Å; Q1188-G1191 WeakPolarHBondContact O-CA 3.5Å; Q1188-G1191 PolarHBondContact O-N 3.37Å; L1189-G1191 VanDerWaalsContact C-N 3.27Å; L1189-G1191 PolarHBondContact O-N 3.04Å; G1191-M1194 PolarHBondContact O-N 3.42Å; G1191-N1195 WeakPolarHBondContact O-CB 3.39Å; G1191-N1195 PolarHBondContact O-N 3.05Å; G1191-N1195 PolarHBondContact O-ND2 3.35Å |
| 1192 | D | 63 | Low | 56.3 | Low | 87 Ų | 87 | 107.7 Ų | 107.7 | 47% | 0.465 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68 | -36.9 | 177.5 | -62 | -28.2 | 0 | 0 | 0 | 111.6 | Q1188 L1189 M1194 N1195 S1196 | Q1188-D1192 PolarHBondContact O-N 2.91Å; L1189-D1192 PolarHBondContact O-N 2.86Å; D1192-M1194 VanDerWaalsContact C-N 3.25Å; D1192-M1194 PolarHBondContact O-N 2.85Å; D1192-N1195 PolarHBondContact O-N 3.38Å; D1192-S1196 VanDerWaalsContact O-CB 3.3Å; D1192-S1196 WeakPolarHBondContact O-CB 3.38Å; D1192-S1196 PolarHBondContact O-N 3.44Å; D1192-S1196 VanDerWaalsContact O-N 3.15Å; D1192-S1196 PolarHBondContact O-OG 3.48Å |
| 1193 | D | 53.9 | Low | 54.2 | Low | 103 Ų | 103 | 109.1 Ų | 109.1 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.1 | -20.4 | 172.6 | -73.8 | -26.1 | 0 | 0 | 0 | 113.6 | L1189 S1196 | L1189-D1193 WeakPolarHBondContact O-CB 3.32Å; L1189-D1193 VanDerWaalsContact O-CG 3.3Å; L1189-D1193 PolarHBondContact O-N 3.18Å; D1193-S1196 WeakPolarHBondContact CA-OG 3.3Å; D1193-S1196 PolarHBondContact O-OG 2.9Å |
| 1194 | M | 51.3 | Low | 51.6 | Low | 149 Ų | 149 | 109.6 Ų | 109.6 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -91.3 | -40.3 | 173.8 | -77.5 | -67.3 | -158.1 | 0 | 0 | 112.1 | R1190 G1191 D1192 S1196 | R1190-M1194 WeakPolarHBondContact O-CG 3.43Å; R1190-M1194 PolarHBondContact O-N 3.31Å; G1191-M1194 PolarHBondContact O-N 3.42Å; D1192-M1194 VanDerWaalsContact C-N 3.25Å; D1192-M1194 PolarHBondContact O-N 2.85Å; M1194-S1196 PolarHBondContact O-N 2.88Å |
| 1195 | N | 43.2 | Very low | 49.3 | Very low | 129 Ų | 129 | 114.6 Ų | 114.6 | 69% | 0.69 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.5 | -8.4 | 178.5 | -72.6 | -30.2 | 0 | 0 | 0 | 113.8 | G1191 D1192 | G1191-N1195 WeakPolarHBondContact O-CB 3.39Å; G1191-N1195 PolarHBondContact O-N 3.05Å; G1191-N1195 PolarHBondContact O-ND2 3.35Å; D1192-N1195 PolarHBondContact O-N 3.38Å |
| 1196 | S | 42.1 | Very low | 46.8 | Very low | 80 Ų | 80 | 119 Ų | 119 | 56% | 0.559 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 5.8 | 179.3 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | D1192 D1193 M1194 | D1192-S1196 VanDerWaalsContact O-CB 3.3Å; D1192-S1196 WeakPolarHBondContact O-CB 3.38Å; D1192-S1196 PolarHBondContact O-N 3.44Å; D1192-S1196 VanDerWaalsContact O-N 3.15Å; D1192-S1196 PolarHBondContact O-OG 3.48Å; D1193-S1196 WeakPolarHBondContact CA-OG 3.3Å; D1193-S1196 PolarHBondContact O-OG 2.9Å; M1194-S1196 PolarHBondContact O-N 2.88Å |
| 1197 | K | 37.3 | Very low | 44.2 | Very low | 167 Ų | 167 | 122.6 Ų | 122.6 | 73% | 0.726 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -112.3 | 17.6 | -177 | -66.5 | -170.6 | 177.5 | -175.1 | 0 | 115.5 | ||
| 1198 | S | 30 | Very low | 41.9 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -117.7 | 11.6 | -174.6 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1199 | L | 29.8 | Very low | 39.7 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 89% | 0.89 | 70% | 0.697 | S | S | * | * | trans | -141.8 | 117.1 | 173.7 | -95.8 | 163.1 | 0 | 0 | 0 | 110.1 | ||||
| 1200 | A | 30.2 | Very low | 38.1 | Very low | 101 Ų | 101 | 127 Ų | 127 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -137.6 | 112.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1201 | S | 28.9 | Very low | 36.2 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -169.5 | 149 | 155.2 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1202 | S | 28.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 67.9 | 122.3 | 167.1 | -57.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1203 | P | 33.9 | Very low | 32.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -105.8 | 123.2 | -172.1 | 36.8 | -30.7 | 0 | 0 | 0 | 115.2 | ||||
| 1204 | S | 24.2 | Very low | 31.4 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -161.5 | 137.6 | 157 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1205 | H | 29.4 | Very low | 30.1 | Very low | 169 Ų | 169 | 133 Ų | 133 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | 76.9 | 92.5 | 154.8 | -113.7 | 41.5 | 0 | 0 | 0 | 121.3 | ||||
| 1206 | F | 26.7 | Very low | 29.3 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | 82.4 | 134.1 | 129.7 | -90.4 | -50.7 | 0 | 0 | 0 | 125.3 | |||||
| 1207 | Q | 24.8 | Very low | 28.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 81.2 | 102.2 | 146.7 | -71.4 | -176 | 25.8 | 0 | 0 | 121.8 | ||||
| 1208 | P | 27.6 | Very low | 28 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 155.6 | 145 | -11.1 | 28.2 | 0 | 0 | 0 | 111.8 | ||
| 1209 | K | 29.1 | Very low | 28.1 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 145.4 | 178.8 | -70.7 | 166.7 | -174.6 | 154.7 | 0 | 111.8 | ||
| 1210 | P | 27.2 | Very low | 28.2 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 149.2 | -175.8 | 34.5 | -35.9 | 0 | 0 | 0 | 114 | ||
| 1211 | P | 33.3 | Very low | 28.2 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 136.6 | 161.1 | -16.4 | 31.1 | 0 | 0 | 0 | 112.2 | ||
| 1212 | R | 27.1 | Very low | 28.4 | Very low | 216 Ų | 216 | 130.8 Ų | 130.8 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 163.3 | 165.8 | -94.9 | -168.4 | 157.1 | 96.8 | -8.1 | 109.2 | ||
| 1213 | S | 28 | Very low | 28.7 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | cis | -167.2 | 166.1 | -4.9 | -116.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1214 | T | 26.5 | Very low | 28.9 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | cis | -177.3 | 131.6 | -41.9 | 31.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1215 | S | 25.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -145.3 | 162.1 | 158.4 | -163.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1216 | C | 26.7 | Very low | 29.6 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | trans | 56.2 | 86.6 | -174.8 | -62.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1217 | R | 26.1 | Very low | 30.1 | Very low | 224 Ų | 224 | 118.9 Ų | 118.9 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | trans | -128.7 | 91.9 | 164.3 | -86.7 | -167.5 | 171 | -143.9 | -3.7 | 111 | ||||
| 1218 | T | 25.5 | Very low | 30.5 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 83% | 0.828 | 63% | 0.634 | S | S | * | * | trans | -169.9 | 84.3 | 154.6 | 41 | 0 | 0 | 0 | 0 | 109 | ||||
| 1219 | L | 30.9 | Very low | 30.6 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 39% | 0.387 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -152.2 | 150.1 | 165 | -99.5 | 178.8 | 0 | 0 | 0 | 107.8 | L1853 | L1219-L1853 HydrophobicContact CD1-CD1 3.79Å; L1219-L1853 HydrophobicContact CD2-CD1 3.89Å; L1219-L1853 HydrophobicContact CG-CD1 3.74Å |
| 1220 | P | 33.1 | Very low | 30.9 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 51% | 0.506 | 61% | 0.613 | S | S | . | * | trans | -69.1 | 144.6 | 178.4 | -19 | 33 | 0 | 0 | 0 | 112.9 | A1222 | P1220-A1222 PolarHBondContact O-N 2.98Å; P1220-A1222 VanDerWaalsContact O-N 3.07Å | ||
| 1221 | D | 29.9 | Very low | 30.8 | Very low | 130 Ų | 130 | 112.1 Ų | 112.1 | 70% | 0.695 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -67.8 | -12.6 | -167.9 | -59.8 | -70.1 | 0 | 0 | 0 | 115.4 | M1223 Y1224 | D1221-M1223 PolarHBondContact O-N 3.28Å; D1221-Y1224 PolarHBondContact O-N 2.83Å |
| 1222 | A | 32.7 | Very low | 30.6 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 56% | 0.562 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -63.9 | -1.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P1220 | P1220-A1222 PolarHBondContact O-N 2.98Å; P1220-A1222 VanDerWaalsContact O-N 3.07Å |
| 1223 | M | 34.8 | Very low | 30.7 | Very low | 87 Ų | 87 | 105 Ų | 105 | 43% | 0.429 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -112.3 | 5.4 | 173.2 | -64.8 | -153.8 | -55.1 | 0 | 0 | 114.5 | D1221 | D1221-M1223 PolarHBondContact O-N 3.28Š|
| 1224 | Y | 38.5 | Very low | 30.9 | Very low | 106 Ų | 106 | 107.6 Ų | 107.6 | 42% | 0.416 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -80.9 | -24.2 | -178.3 | -90.8 | -81.6 | 0 | 0 | 0 | 114.8 | D1221 L1227 | D1221-Y1224 PolarHBondContact O-N 2.83Å; Y1224-L1227 HydrophobicContact CD1-CD2 4.24Å; Y1224-L1227 HydrophobicContact CE1-CD2 4.25Å; Y1224-L1227 VanDerWaalsContact O-CB 3.31Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.35Å; Y1224-L1227 PolarHBondContact O-N 2.91Å |
| 1225 | Q | 35.8 | Very low | 31.1 | Very low | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.8 | -42.3 | -175 | -113.7 | 58.7 | -8.8 | 0 | 0 | 113.2 | E868 L1227 | E868-Q1225 PolarHBondContact OE1-NE2 3.31Å; E868-Q1225 PolarHBondContact OE2-NE2 3.28Å; Q1225-L1227 PolarHBondContact O-N 3.44Å; Q1225-L1227 VanDerWaalsContact O-N 3.08Å |
| 1226 | D | 32.5 | Very low | 31.4 | Very low | 100 Ų | 100 | 100.9 Ų | 100.9 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -3.2 | 173.4 | -90.4 | -1.5 | 0 | 0 | 0 | 113.5 | ||
| 1227 | L | 37 | Very low | 31.7 | Very low | 54 Ų | 54 | 100.2 Ų | 100.2 | 28% | 0.283 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -110.1 | -23.5 | -167.9 | -157.7 | 68.2 | 0 | 0 | 0 | 114.4 | Y1224 Q1225 A1230 I1231 | Y1224-L1227 HydrophobicContact CD1-CD2 4.24Å; Y1224-L1227 HydrophobicContact CE1-CD2 4.25Å; Y1224-L1227 VanDerWaalsContact O-CB 3.31Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.35Å; Y1224-L1227 PolarHBondContact O-N 2.91Å; Q1225-L1227 PolarHBondContact O-N 3.44Å; Q1225-L1227 VanDerWaalsContact O-N 3.08Å; L1227-A1230 VanDerWaalsContact O-CB 3.26Å; L1227-A1230 WeakPolarHBondContact O-CB 3.43Å; L1227-A1230 PolarHBondContact O-N 3.39Å; L1227-I1231 WeakPolarHBondContact O-CG1 3.35Å |
| 1228 | Q | 33.8 | Very low | 31.8 | Very low | 133 Ų | 133 | 93.7 Ų | 93.7 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.3 | -49.3 | -175.3 | -69.2 | -71.3 | 10.1 | 0 | 0 | 112.8 | A1230 I1231 | Q1228-A1230 PolarHBondContact O-N 3.28Å; Q1228-I1231 PolarHBondContact O-N 3.36Å |
| 1229 | D | 29.1 | Very low | 31.9 | Very low | 160 Ų | 160 | 89.2 Ų | 89.2 | 86% | 0.856 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -16.4 | 171.8 | -78.5 | 13.1 | 0 | 0 | 0 | 113.2 | R1842 | D1229-R1842 PolarHBondContact O-NH2 2.93Š|
| 1230 | A | 34.7 | Very low | 31.6 | Very low | 30 Ų | 30 | 90 Ų | 90 | 25% | 0.248 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -17.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1227 Q1228 S1232 R1842 | L1227-A1230 VanDerWaalsContact O-CB 3.26Å; L1227-A1230 WeakPolarHBondContact O-CB 3.43Å; L1227-A1230 PolarHBondContact O-N 3.39Å; Q1228-A1230 PolarHBondContact O-N 3.28Å; A1230-S1232 PolarHBondContact O-N 3.44Å; A1230-R1842 VanDerWaalsContact CA-NH2 3.34Å; A1230-R1842 PolarHBondContact O-NE 2.81Å; A1230-R1842 VanDerWaalsContact O-NE 3.16Å; A1230-R1842 PolarHBondContact O-NH2 3.04Å |
| 1231 | I | 25.7 | Very low | 31.3 | Very low | 111 Ų | 111 | 92 Ų | 92 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | trans | -104.8 | 83 | -164.6 | -50.4 | 176.2 | 0 | 0 | 0 | 113.2 | L1227 Q1228 L1233 | L1227-I1231 WeakPolarHBondContact O-CG1 3.35Å; Q1228-I1231 PolarHBondContact O-N 3.36Å; I1231-L1233 HydrophobicContact CG2-CG 4.48Å | ||
| 1232 | S | 28.7 | Very low | 31.1 | Very low | 62 Ų | 62 | 90.8 Ų | 90.8 | 43% | 0.434 | 53% | 0.533 | S | S | . | . | trans | -129.8 | 95.4 | 157.2 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | A1230 N1234 S1235 | A1230-S1232 PolarHBondContact O-N 3.44Å; S1232-N1234 PolarHBondContact O-N 3.32Å; S1232-N1234 VanDerWaalsContact O-N 3.13Å; S1232-S1235 WeakPolarHBondContact O-CB 3.47Å; S1232-S1235 PolarHBondContact O-N 3.15Å; S1232-S1235 PolarHBondContact O-OG 3.03Å | ||
| 1233 | L | 30.2 | Very low | 30.6 | Very low | 134 Ų | 134 | 90.3 Ų | 90.3 | 70% | 0.702 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -64.8 | -16 | -170.2 | -69.7 | 168.6 | 0 | 0 | 0 | 114.1 | I1231 S1235 | I1231-L1233 HydrophobicContact CG2-CG 4.48Å; L1233-S1235 PolarHBondContact O-N 3.47Å; L1233-S1235 VanDerWaalsContact O-N 3.16Å |
| 1234 | N | 31.3 | Very low | 30.3 | Very low | 138 Ų | 138 | 90.5 Ų | 90.5 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -69 | -8.7 | 177.3 | -63.5 | -8.9 | 0 | 0 | 0 | 113.4 | S1232 F1236 | S1232-N1234 PolarHBondContact O-N 3.32Å; S1232-N1234 VanDerWaalsContact O-N 3.13Å; N1234-F1236 VanDerWaalsContact C-N 3.34Å; N1234-F1236 PolarHBondContact O-N 3.47Å |
| 1235 | S | 30.7 | Very low | 29.8 | Very low | 35 Ų | 35 | 91.3 Ų | 91.3 | 25% | 0.245 | 55% | 0.552 | C | S | . | * | G | 310 helix | trans | -81.8 | 0.9 | -171 | -50.4 | 0 | 0 | 0 | 0 | 115.9 | S1232 L1233 S1642 | S1232-S1235 WeakPolarHBondContact O-CB 3.47Å; S1232-S1235 PolarHBondContact O-N 3.15Å; S1232-S1235 PolarHBondContact O-OG 3.03Å; L1233-S1235 PolarHBondContact O-N 3.47Å; L1233-S1235 VanDerWaalsContact O-N 3.16Å; S1235-S1642 PolarHBondContact O-OG 3.04Å |
| 1236 | F | 31.1 | Very low | 29.3 | Very low | 52 Ų | 52 | 93.6 Ų | 93.6 | 23% | 0.228 | 57% | 0.567 | C | S | . | * | G | 310 helix | trans | -102.1 | -4.2 | -169.9 | -84.4 | -78.4 | 0 | 0 | 0 | 115.8 | N1234 R1842 T1843 M1865 | N1234-F1236 VanDerWaalsContact C-N 3.34Å; N1234-F1236 PolarHBondContact O-N 3.47Å; F1236-R1842 HydrophobicContact CZ-CB 4.34Å; F1236-T1843 WeakPolarHBondContact CE1-OG1 3.48Å; F1236-T1843 HydrophobicContact CZ-CG2 4.36Å; F1236-T1843 WeakPolarHBondContact CZ-OG1 3.33Å; F1236-M1865 HydrophobicContact CB-CE 4.23Å; F1236-M1865 HydrophobicContact CD1-CE 4.43Å; F1236-M1865 HydrophobicContact CD2-CE 4.22Å; F1236-M1865 HydrophobicContact CG-CE 4.03Å |
| 1237 | T | 35 | Very low | 29.3 | Very low | 88 Ų | 88 | 94.1 Ų | 94.1 | 54% | 0.54 | 58% | 0.576 | S | S | . | * | trans | -130.1 | 26.7 | -176.2 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | G1239 | T1237-G1239 VanDerWaalsContact C-N 3.26Å; T1237-G1239 PolarHBondContact O-N 3.49Å | ||
| 1238 | S | 27.3 | Very low | 28.7 | Very low | 87 Ų | 87 | 96.5 Ų | 96.5 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 61.1 | 176.6 | -53.8 | 0 | 0 | 0 | 0 | 112 | ||
| 1239 | G | 27.8 | Very low | 28.3 | Very low | 42 Ų | 42 | 97.3 Ų | 97.3 | 43% | 0.433 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.6 | 3.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1237 | T1237-G1239 VanDerWaalsContact C-N 3.26Å; T1237-G1239 PolarHBondContact O-N 3.49Å |
| 1240 | T | 25.2 | Very low | 28.2 | Very low | 91 Ų | 91 | 97.4 Ų | 97.4 | 56% | 0.558 | 60% | 0.599 | S | S | * | * | trans | -135.7 | 81.2 | -177.1 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1241 | S | 25.7 | Very low | 27.7 | Very low | 120 Ų | 120 | 100.3 Ų | 100.3 | 84% | 0.839 | 62% | 0.618 | S | S | * | * | trans | -141.3 | 65.9 | 173.7 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1242 | A | 24.7 | Very low | 28 | Very low | 104 Ų | 104 | 103.8 Ų | 103.8 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | trans | -84.9 | 110.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1243 | G | 24 | Very low | 27.8 | Very low | 57 Ų | 57 | 109 Ų | 109 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | trans | 92.4 | 116.8 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | N972 | N972-G1243 PolarHBondContact ND2-O 3.16Š| ||
| 1244 | S | 27.8 | Very low | 27.8 | Very low | 92 Ų | 92 | 111 Ų | 111 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | -155.1 | 152.1 | 98.4 | -165.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1245 | Q | 27.9 | Very low | 27.6 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 58% | 0.575 | 65% | 0.653 | S | S | * | * | trans | -93.5 | 141.1 | 178.4 | -71.5 | 175.1 | 24 | 0 | 0 | 112.4 | D975 | D975-Q1245 PolarHBondContact OD2-NE2 3Š| ||
| 1246 | D | 25.7 | Very low | 27.3 | Very low | 152 Ų | 152 | 120 Ų | 120 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | trans | 46.9 | 158.7 | 136.6 | -72.1 | -21.3 | 0 | 0 | 0 | 125 | ||||
| 1247 | P | 31.9 | Very low | 27.2 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -120.2 | 165.9 | -164.9 | 42.1 | -29.5 | 0 | 0 | 0 | 115.5 | ||||
| 1248 | S | 24.1 | Very low | 26.6 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -174.4 | 129.5 | 137.9 | 38.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1249 | I | 26.4 | Very low | 26.7 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | 46.1 | 125.2 | 120.6 | -51.5 | 166.2 | 0 | 0 | 0 | 116.7 | |||||
| 1250 | H | 27 | Very low | 26.6 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | -172.6 | 145.7 | 67.8 | -150.7 | -74.1 | 0 | 0 | 0 | 114.1 | |||||
| 1251 | S | 24.6 | Very low | 26.6 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | trans | 62.1 | 158.9 | 157.3 | 34.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1252 | Q | 30.3 | Very low | 26.7 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | cis | -148.3 | 170.1 | 1.8 | -132.4 | 165.8 | 25.2 | 0 | 0 | 113.3 | ||||
| 1253 | Q | 25.9 | Very low | 26.9 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -76.5 | 152.7 | 179.5 | -54 | 146.5 | -40.1 | 0 | 0 | 113.4 | ||||
| 1254 | K | 29.4 | Very low | 27.2 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | -175.8 | 125 | 120.3 | -99.4 | 172 | 177.9 | 178.5 | 0 | 110.3 | |||||
| 1255 | Q | 27.5 | Very low | 27 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | 61.6 | 111.5 | 92.4 | -66.5 | 178.9 | -15.2 | 0 | 0 | 113 | |||||
| 1256 | K | 24.3 | Very low | 26.9 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | 72.2 | 102.8 | 73.7 | -94.2 | -166.3 | 172.2 | -177.3 | 0 | 114.3 | |||||
| 1257 | T | 29.1 | Very low | 26.8 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -166.4 | 131.7 | 131 | 28.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1258 | N | 23 | Very low | 26.6 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | 60.1 | 134.2 | 65.7 | -61.6 | -1.6 | 0 | 0 | 0 | 111.2 | |||||
| 1259 | S | 28 | Very low | 26.7 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | cis | -156.9 | 149.5 | 27.3 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1260 | K | 26.3 | Very low | 26.7 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | 69.2 | 145.1 | 108.7 | -74.8 | -166.5 | 173 | -164.4 | 0 | 117.7 | |||||
| 1261 | S | 25 | Very low | 26.7 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 55% | 0.552 | 74% | 0.742 | S | S | * | * | cis | -171.6 | -176.4 | -11.6 | 43.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1262 | D | 29.1 | Very low | 26.7 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 86.7 | 94.4 | 149.1 | -50.1 | -36.7 | 0 | 0 | 0 | 121.1 | ||||
| 1263 | D | 28.3 | Very low | 26.4 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | 100.1 | 139.3 | 106.3 | -96.1 | 19.6 | 0 | 0 | 0 | 125.1 | |||||
| 1264 | K | 29.6 | Very low | 26.3 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 74% | 0.735 | 75% | 0.747 | S | S | * | * | trans | 73 | 123.1 | 155 | -69 | 171.1 | 179.8 | 90.3 | 0 | 116.8 | ||||
| 1265 | C | 22.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | 71.3 | 139.1 | 68.7 | -75.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 1266 | S | 26 | Very low | 26.2 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | cis | -159.4 | 172.1 | 3.7 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1267 | S | 24.3 | Very low | 26.4 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | -65.7 | 160.3 | 171.2 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1268 | Q | 28 | Very low | 26.3 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | 178.4 | 131.2 | 106.7 | -87.9 | -174.4 | -43.2 | 0 | 0 | 110.9 | |||||
| 1269 | I | 26.3 | Very low | 26.3 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | 89.3 | 153.8 | 79.9 | -61.1 | 174.4 | 0 | 0 | 0 | 113.9 | |||||
| 1270 | D | 26.4 | Very low | 26.1 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 92.1 | 140.7 | 162.4 | -68.1 | -51.4 | 0 | 0 | 0 | 121.9 | ||||
| 1271 | S | 26.4 | Very low | 26 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | cis | -172.4 | 157.5 | -24.1 | 47.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1272 | S | 24.3 | Very low | 26 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | 66.8 | 161.5 | 151.3 | 74.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1273 | A | 25.4 | Very low | 25.8 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | cis | -171.6 | 172 | -30.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1274 | S | 24 | Very low | 25.7 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | 76.6 | 150.2 | 167.9 | 84.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1275 | A | 28.8 | Very low | 25.7 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -152.7 | -172.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1276 | L | 26 | Very low | 25.9 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | -61.7 | 166.7 | -175.8 | -62.5 | 154.9 | 0 | 0 | 0 | 114.9 | ||||
| 1277 | D | 26.4 | Very low | 26 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -166.6 | 167.6 | 41.2 | -130.3 | -31 | 0 | 0 | 0 | 117.3 | ||||
| 1278 | T | 28 | Very low | 26.3 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | 28.2 | 131.8 | 162.8 | 50.1 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 1279 | E | 22.3 | Very low | 26.6 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 61.1 | 112.8 | 136.8 | -72.9 | -92.1 | 103.1 | 0 | 0 | 124.9 | ||||
| 1280 | R | 25.3 | Very low | 26.6 | Very low | 214 Ų | 214 | 148.8 Ų | 148.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | 44.6 | 106.2 | 139.3 | -63.2 | 179.6 | 174.6 | -148.2 | -6.4 | 121.9 | ||||
| 1281 | S | 23.8 | Very low | 26.7 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | 174.8 | 144.8 | 102.6 | 48.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1282 | Y | 24.4 | Very low | 26.9 | Very low | 220 Ų | 220 | 145.3 Ų | 145.3 | 86% | 0.863 | 77% | 0.768 | S | S | * | * | trans | 25.3 | 123.1 | 157.3 | -73 | -98 | 0 | 0 | 0 | 124.1 | ||||
| 1283 | V | 25.9 | Very low | 27.1 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | 75.5 | 95.5 | 130 | 175.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1284 | K | 25.8 | Very low | 27.3 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 174.9 | 133.6 | 113.8 | -97.2 | 147.9 | -172 | 165.6 | 0 | 112.2 | |||||
| 1285 | H | 29.7 | Very low | 27.5 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | -175.4 | 133.4 | 111.9 | -105.2 | -73.5 | 0 | 0 | 0 | 112.1 | |||||
| 1286 | S | 26.3 | Very low | 27.4 | Very low | 84 Ų | 84 | 150.9 Ų | 150.9 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | trans | -130 | 167.1 | 174.1 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1287 | H | 28.2 | Very low | 27.6 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 85.3 | 87 | 166.9 | -45.2 | -65.9 | 0 | 0 | 0 | 119.4 | ||||
| 1288 | W | 30.4 | Very low | 27.8 | Very low | 243 Ų | 243 | 151.1 Ų | 151.1 | 92% | 0.92 | 74% | 0.736 | S | S | * | * | trans | -153.8 | 129.4 | 141.1 | -122.2 | 55.2 | 0 | 0 | 0 | 107.3 | ||||
| 1289 | L | 34 | Very low | 28 | Very low | 121 Ų | 121 | 154.9 Ų | 154.9 | 63% | 0.634 | 74% | 0.743 | S | S | * | * | cis | -144.7 | 142.3 | -14 | -100.9 | 170 | 0 | 0 | 0 | 108.6 | A1291 | L1289-A1291 HydrophobicContact CD2-CB 4.45Š| ||
| 1290 | R | 26.8 | Very low | 28.5 | Very low | 247 Ų | 247 | 155 Ų | 155 | 93% | 0.932 | 74% | 0.737 | S | S | * | * | trans | -128.3 | 58.9 | 168.2 | -150.8 | -171.3 | -155.1 | -148.3 | 15 | 111.8 | ||||
| 1291 | A | 27.7 | Very low | 28.9 | Very low | 74 Ų | 74 | 148.3 Ų | 148.3 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | trans | -145.2 | 95.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1289 | L1289-A1291 HydrophobicContact CD2-CB 4.45Š| ||
| 1292 | S | 30.6 | Very low | 29.3 | Very low | 84 Ų | 84 | 148.7 Ų | 148.7 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | trans | -165.6 | 24.5 | 155.7 | -90.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1293 | F | 29 | Very low | 29.7 | Very low | 226 Ų | 226 | 143.1 Ų | 143.1 | 99% | 0.991 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -122.8 | 37.4 | 170.4 | -97.2 | -74.3 | 0 | 0 | 0 | 114.5 | ||
| 1294 | S | 29.1 | Very low | 29.7 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 48% | 0.483 | 71% | 0.707 | S | S | . | * | trans | -122 | 33.4 | 165.6 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | K1336 | S1294-K1336 WeakPolarHBondContact O-CE 3.46Å; S1294-K1336 PolarHBondContact O-NZ 3.47Å; S1294-K1336 PolarHBondContact OG-NZ 2.85Å | ||
| 1295 | K | 29.4 | Very low | 30 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -105.5 | -0.7 | -164.8 | -133.6 | 169.3 | -174.7 | 174.8 | 0 | 116.1 | ||||
| 1296 | A | 27.5 | Very low | 29.8 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -134.3 | 127.6 | 154 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||
| 1297 | F | 29 | Very low | 30.3 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 87% | 0.873 | 71% | 0.712 | S | S | * | * | cis | -123.2 | 135.4 | 26 | -67.3 | -107.1 | 0 | 0 | 0 | 113.8 | ||||
| 1298 | R | 30.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 144 Ų | 144 | 35% | 0.351 | 71% | 0.708 | S | S | . | * | trans | -165 | 132.9 | 138.3 | -113 | -160.9 | -172.2 | -175.4 | 6.6 | 112.9 | Q1335 Q1338 C1339 | R1298-Q1335 WeakPolarHBondContact CD-O 3.32Å; R1298-Q1335 PolarHBondContact NH1-O 2.82Å; R1298-Q1338 PolarHBondContact NH1-O 3.02Å; R1298-Q1338 PolarHBondContact NH2-O 3.28Å; R1298-C1339 HydrophobicContact CG-CB 4.31Å; R1298-C1339 VanDerWaalsContact CZ-CB 3.43Å; R1298-C1339 PolarHBondContact NE-SG 3.09Å | ||
| 1299 | K | 32.6 | Very low | 29.9 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | -118 | 126.5 | 145.8 | -73 | -179 | 178.1 | 178.7 | 0 | 104.5 | ||||
| 1300 | R | 33 | Very low | 29.6 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 60% | 0.6 | 70% | 0.7 | S | S | * | * | 67.5 | 142.5 | 71.9 | -79.5 | -158.7 | -163.9 | 148.4 | 12.4 | 113.4 | A1332 | R1300-A1332 PolarHBondContact NE-O 3.04Å; R1300-A1332 VanDerWaalsContact NH2-CA 3.32Å; R1300-A1332 PolarHBondContact NH2-O 3.1Å | |||
| 1301 | A | 32.7 | Very low | 29.5 | Very low | 72 Ų | 72 | 134 Ų | 134 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | cis | -156.9 | 172.3 | -8.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q1335 | A1301-Q1335 VanDerWaalsContact CB-OE1 3.28Š| ||
| 1302 | K | 31.9 | Very low | 29.6 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 54% | 0.543 | 71% | 0.706 | S | S | . | * | cis | -124.1 | -165.2 | 12.4 | -55.7 | 164.6 | -179 | 172.4 | 0 | 108.5 | D1328 Q1335 | K1302-D1328 WeakPolarHBondContact CE-OD1 3.38Å; K1302-D1328 IonicContact NZ-OD1 2.73Å; K1302-D1328 PolarHBondContact NZ-OD1 3.36Å; K1302-D1328 IonicContact NZ-OD2 3.27Å; K1302-D1328 PolarHBondContact NZ-OD2 2.97Å; K1302-Q1335 PolarHBondContact O-NE2 3.35Å | ||
| 1303 | S | 33.3 | Very low | 29.6 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | cis | -163.7 | 178.1 | 1.4 | 6.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1304 | N | 27.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | trans | -127.6 | 163.7 | 169.2 | -87 | 2.5 | 0 | 0 | 0 | 110.6 | ||||
| 1305 | I | 32.1 | Very low | 29.6 | Very low | 177 Ų | 177 | 143 Ų | 143 | 91% | 0.908 | 73% | 0.725 | S | S | * | * | trans | -169.6 | 169.8 | 138.1 | -100.8 | 157.9 | 0 | 0 | 0 | 110.7 | ||||
| 1306 | R | 25.5 | Very low | 29.5 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.868 | 72% | 0.722 | S | S | * | * | trans | -137.2 | -160.2 | -166.7 | -154.1 | -168 | 178.2 | -173 | -0.3 | 109.2 | ||||
| 1307 | P | 35.7 | Very low | 29.5 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 59% | 0.591 | 73% | 0.728 | S | S | * | * | -99.9 | 172.9 | -92.6 | 28.1 | -8.9 | 0 | 0 | 0 | 116.9 | |||||
| 1308 | N | 25.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | 59.6 | 155 | 143.8 | -69.9 | 39.6 | 0 | 0 | 0 | 120 | ||||
| 1309 | D | 26.6 | Very low | 29.6 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | cis | -160.2 | 172.1 | -7 | -102.6 | -17.6 | 0 | 0 | 0 | 111.2 | ||||
| 1310 | S | 26.8 | Very low | 29.4 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 69.2 | 151 | 157.8 | 76.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1311 | E | 25.3 | Very low | 29.4 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | cis | -161.5 | 158.5 | -18.4 | -116.3 | 161.1 | -151.9 | 0 | 0 | 109.3 | ||||
| 1312 | I | 29 | Very low | 29.1 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -107.7 | 85.3 | 174.8 | -59.2 | -179.1 | 0 | 0 | 0 | 110.8 | ||
| 1313 | L | 30.8 | Very low | 28.7 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | S | Bend | 179.2 | 166 | 126.3 | -98 | 156.4 | 0 | 0 | 0 | 110.4 | |||
| 1314 | M | 30.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -63.8 | 146.1 | -178.1 | -75.8 | -76.5 | -72.3 | 0 | 0 | 112.6 | ||
| 1315 | N | 27.1 | Very low | 28.7 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | 72.8 | 73.6 | 169 | -54.3 | -18 | 0 | 0 | 0 | 116.4 | ||||
| 1316 | G | 28.7 | Very low | 28.6 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -144.8 | 15.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1317 | S | 27.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 87.8 | 172.9 | -55.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1318 | S | 28.4 | Very low | 28.6 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 64.8 | 139.9 | 140.9 | 56.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1319 | T | 31.9 | Very low | 28.8 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | cis | -166.9 | 120.5 | -15 | 24.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1320 | T | 28.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | trans | 27.2 | 124.9 | 136.8 | 62.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1321 | N | 32.5 | Very low | 29.7 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | 158.5 | 124 | 106.6 | -84.6 | -45.2 | 0 | 0 | 0 | 118.6 | |||||
| 1322 | L | 28 | Very low | 30.1 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | 63.1 | 147.5 | 128 | -59.7 | 171.9 | 0 | 0 | 0 | 125.8 | |||||
| 1323 | Q | 22.9 | Very low | 30.9 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -82.5 | -176.1 | 164.2 | -90.1 | -166.7 | 7.1 | 0 | 0 | 112.3 | ||||
| 1324 | P | 33.5 | Very low | 31.5 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | cis | -135.2 | -178.2 | -42.3 | 36.1 | -18.4 | 0 | 0 | 0 | 112.4 | ||||
| 1325 | T | 26.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | 154.1 | 138.5 | 130 | 45.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1326 | V | 29.1 | Very low | 33.3 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | trans | 75.3 | 137.4 | 140.1 | 172 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1327 | H | 32.9 | Very low | 34.4 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | trans | 63.3 | 86.9 | 163.5 | -74.1 | -41 | 0 | 0 | 0 | 124.4 | ||||
| 1328 | D | 28.6 | Very low | 35.4 | Very low | 99 Ų | 99 | 121 Ų | 121 | 53% | 0.529 | 67% | 0.668 | S | S | . | * | 51.2 | 139.7 | 114.5 | -83.3 | -65.3 | 0 | 0 | 0 | 126 | K1302 | K1302-D1328 WeakPolarHBondContact CE-OD1 3.38Å; K1302-D1328 IonicContact NZ-OD1 2.73Å; K1302-D1328 PolarHBondContact NZ-OD1 3.36Å; K1302-D1328 IonicContact NZ-OD2 3.27Å; K1302-D1328 PolarHBondContact NZ-OD2 2.97Å | |||
| 1329 | Q | 29.8 | Very low | 36.4 | Very low | 179 Ų | 179 | 117.8 Ų | 117.8 | 84% | 0.836 | 65% | 0.645 | S | S | * | * | trans | 85.4 | 155.6 | 167.7 | -48.4 | -161.4 | 25.7 | 0 | 0 | 118.7 | ||||
| 1330 | V | 35.7 | Very low | 37.4 | Very low | 138 Ų | 138 | 115 Ų | 115 | 84% | 0.836 | 62% | 0.624 | S | S | * | * | trans | 65.5 | 60.2 | 172.8 | -154.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1331 | T | 35.8 | Very low | 38.9 | Very low | 144 Ų | 144 | 116.1 Ų | 116.1 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | trans | -153.2 | 138.4 | 140.4 | -15.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1332 | A | 34.3 | Very low | 40.2 | Very low | 51 Ų | 51 | 115.6 Ų | 115.6 | 42% | 0.421 | 61% | 0.614 | S | S | . | * | trans | -105.5 | -31.2 | -154.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | R1300 | R1300-A1332 PolarHBondContact NE-O 3.04Å; R1300-A1332 VanDerWaalsContact NH2-CA 3.32Å; R1300-A1332 PolarHBondContact NH2-O 3.1Å | ||
| 1333 | N | 45.3 | Very low | 42 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 68% | 0.679 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -112.2 | -31 | -148.9 | -67.8 | -16.2 | 0 | 0 | 0 | 117.3 | Q1335 K1336 | N1333-Q1335 VanDerWaalsContact C-N 3.28Å; N1333-Q1335 PolarHBondContact O-N 3.16Å; N1333-Q1335 VanDerWaalsContact O-N 3.12Å; N1333-K1336 PolarHBondContact O-N 3.12Å; N1333-K1336 VanDerWaalsContact O-N 3.16Å |
| 1334 | N | 43.4 | Very low | 43.9 | Very low | 120 Ų | 120 | 109.9 Ų | 109.9 | 64% | 0.642 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -22.8 | -164.7 | -70 | -0.6 | 0 | 0 | 0 | 115.3 | K1336 | N1334-K1336 PolarHBondContact O-N 3.34Š|
| 1335 | Q | 46.8 | Very low | 45.5 | Very low | 56 Ų | 56 | 114.7 Ų | 114.7 | 26% | 0.262 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | 4.2 | 178.6 | -68 | -173.2 | -60.9 | 0 | 0 | 114.6 | R1298 A1301 K1302 N1333 | R1298-Q1335 WeakPolarHBondContact CD-O 3.32Å; R1298-Q1335 PolarHBondContact NH1-O 2.82Å; A1301-Q1335 VanDerWaalsContact CB-OE1 3.28Å; K1302-Q1335 PolarHBondContact O-NE2 3.35Å; N1333-Q1335 VanDerWaalsContact C-N 3.28Å; N1333-Q1335 PolarHBondContact O-N 3.16Å; N1333-Q1335 VanDerWaalsContact O-N 3.12Å |
| 1336 | K | 49.2 | Very low | 47.7 | Very low | 71 Ų | 71 | 113.7 Ų | 113.7 | 31% | 0.309 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -40.5 | 168.5 | -167.7 | 175.7 | 176.5 | -70.9 | 0 | 112.1 | S1294 N1333 N1334 Q1338 C1339 E1340 | S1294-K1336 WeakPolarHBondContact O-CE 3.46Å; S1294-K1336 PolarHBondContact O-NZ 3.47Å; S1294-K1336 PolarHBondContact OG-NZ 2.85Å; N1333-K1336 PolarHBondContact O-N 3.12Å; N1333-K1336 VanDerWaalsContact O-N 3.16Å; N1334-K1336 PolarHBondContact O-N 3.34Å; K1336-Q1338 VanDerWaalsContact C-N 3.31Å; K1336-Q1338 PolarHBondContact O-N 2.85Å; K1336-C1339 WeakPolarHBondContact O-CA 3.28Å; K1336-C1339 WeakPolarHBondContact O-CB 3.5Å; K1336-C1339 PolarHBondContact O-N 2.97Å; K1336-E1340 IonicContact NZ-OE1 3.51Å; K1336-E1340 PolarHBondContact NZ-OE1 2.75Å; K1336-E1340 IonicContact NZ-OE2 2.63Å |
| 1337 | L | 50.8 | Low | 49.9 | Very low | 114 Ų | 114 | 114 Ų | 114 | 60% | 0.597 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.1 | -40.3 | -178.1 | -120.5 | 72.1 | 0 | 0 | 0 | 113.4 | C1339 E1340 Q1341 | L1337-C1339 PolarHBondContact O-N 2.92Å; L1337-C1339 VanDerWaalsContact O-N 3.1Å; L1337-E1340 PolarHBondContact O-N 3.4Å; L1337-E1340 VanDerWaalsContact O-N 3.08Å; L1337-Q1341 PolarHBondContact O-N 2.99Å; L1337-Q1341 VanDerWaalsContact O-N 3.11Å |
| 1338 | Q | 49.4 | Very low | 51.6 | Low | 116 Ų | 116 | 112.1 Ų | 112.1 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.7 | 3.5 | 177.1 | -154.6 | -167.7 | 27.8 | 0 | 0 | 113 | R1298 K1336 Q1342 | R1298-Q1338 PolarHBondContact NH1-O 3.02Å; R1298-Q1338 PolarHBondContact NH2-O 3.28Å; K1336-Q1338 VanDerWaalsContact C-N 3.31Å; K1336-Q1338 PolarHBondContact O-N 2.85Å; Q1338-Q1342 PolarHBondContact O-OE1 3Å |
| 1339 | C | 49 | Very low | 53.9 | Low | 40 Ų | 40 | 110.9 Ų | 110.9 | 27% | 0.27 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -93.1 | -42.5 | 164.1 | -145.9 | 0 | 0 | 0 | 0 | 110.9 | R1298 K1336 L1337 Q1342 L1343 | R1298-C1339 HydrophobicContact CG-CB 4.31Å; R1298-C1339 VanDerWaalsContact CZ-CB 3.43Å; R1298-C1339 PolarHBondContact NE-SG 3.09Å; K1336-C1339 WeakPolarHBondContact O-CA 3.28Å; K1336-C1339 WeakPolarHBondContact O-CB 3.5Å; K1336-C1339 PolarHBondContact O-N 2.97Å; L1337-C1339 PolarHBondContact O-N 2.92Å; L1337-C1339 VanDerWaalsContact O-N 3.1Å; C1339-Q1342 PolarHBondContact O-N 2.95Å; C1339-Q1342 VanDerWaalsContact O-N 3.11Å; C1339-L1343 WeakPolarHBondContact O-CB 3.04Å; C1339-L1343 PolarHBondContact O-N 3.49Å |
| 1340 | E | 54.2 | Low | 56 | Low | 66 Ų | 66 | 106.2 Ų | 106.2 | 31% | 0.308 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.2 | -48.6 | 176.1 | -79.6 | 143.3 | 160.8 | 0 | 0 | 109.6 | K1336 L1337 Q1342 L1343 D1344 | K1336-E1340 IonicContact NZ-OE1 3.51Å; K1336-E1340 PolarHBondContact NZ-OE1 2.75Å; K1336-E1340 IonicContact NZ-OE2 2.63Å; L1337-E1340 PolarHBondContact O-N 3.4Å; L1337-E1340 VanDerWaalsContact O-N 3.08Å; E1340-Q1342 VanDerWaalsContact C-N 3.26Å; E1340-Q1342 PolarHBondContact O-N 3.37Å; E1340-Q1342 VanDerWaalsContact O-N 3.15Å; E1340-L1343 CarbonylContact O-C 3.59Å; E1340-L1343 WeakPolarHBondContact O-CA 3.41Å; E1340-L1343 VanDerWaalsContact O-CB 3.32Å; E1340-L1343 WeakPolarHBondContact O-CB 3.14Å; E1340-L1343 PolarHBondContact O-N 3.29Å; E1340-D1344 PolarHBondContact O-N 2.83Å; E1340-D1344 VanDerWaalsContact O-OD2 3.13Å |
| 1341 | Q | 59.4 | Low | 57.6 | Low | 133 Ų | 133 | 102.4 Ų | 102.4 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -25.1 | 174.9 | -68.8 | -178.9 | -24 | 0 | 0 | 115.3 | L1337 R1345 | L1337-Q1341 PolarHBondContact O-N 2.99Å; L1337-Q1341 VanDerWaalsContact O-N 3.11Å; Q1341-R1345 PolarHBondContact O-N 2.8Å |
| 1342 | Q | 59 | Low | 59.5 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -79.9 | -36 | 171.5 | -76.6 | -176.6 | -41.8 | 0 | 0 | 111.4 | Q1338 C1339 E1340 R1345 L1346 | Q1338-Q1342 PolarHBondContact O-OE1 3Å; C1339-Q1342 PolarHBondContact O-N 2.95Å; C1339-Q1342 VanDerWaalsContact O-N 3.11Å; E1340-Q1342 VanDerWaalsContact C-N 3.26Å; E1340-Q1342 PolarHBondContact O-N 3.37Å; E1340-Q1342 VanDerWaalsContact O-N 3.15Å; Q1342-R1345 PolarHBondContact O-N 2.91Å; Q1342-L1346 WeakPolarHBondContact O-CB 3.4Å; Q1342-L1346 PolarHBondContact O-N 3.17Å |
| 1343 | L | 66.4 | Low | 61 | Low | 117 Ų | 117 | 107.4 Ų | 107.4 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -40.2 | 174.9 | -151.3 | 75.6 | 0 | 0 | 0 | 111 | C1339 E1340 L1346 H1347 | C1339-L1343 WeakPolarHBondContact O-CB 3.04Å; C1339-L1343 PolarHBondContact O-N 3.49Å; E1340-L1343 CarbonylContact O-C 3.59Å; E1340-L1343 WeakPolarHBondContact O-CA 3.41Å; E1340-L1343 VanDerWaalsContact O-CB 3.32Å; E1340-L1343 WeakPolarHBondContact O-CB 3.14Å; E1340-L1343 PolarHBondContact O-N 3.29Å; L1343-L1346 PolarHBondContact O-N 2.99Å; L1343-H1347 WeakPolarHBondContact O-CB 3.2Å; L1343-H1347 PolarHBondContact O-N 3.26Å |
| 1344 | D | 63.6 | Low | 62.3 | Low | 103 Ų | 103 | 110.1 Ų | 110.1 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 174.7 | -62.5 | -34.5 | 0 | 0 | 0 | 111.2 | E1340 L1346 H1347 L1348 | E1340-D1344 PolarHBondContact O-N 2.83Å; E1340-D1344 VanDerWaalsContact O-OD2 3.13Å; D1344-L1346 VanDerWaalsContact C-N 3.33Å; D1344-L1346 PolarHBondContact O-N 2.93Å; D1344-H1347 PolarHBondContact O-N 2.84Å; D1344-L1348 WeakPolarHBondContact O-CB 3.18Å; D1344-L1348 PolarHBondContact O-N 3.25Å |
| 1345 | R | 67.1 | Low | 63.6 | Low | 196 Ų | 196 | 112 Ų | 112 | 74% | 0.74 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -34.3 | 175.7 | -132.5 | 177.7 | -172.9 | -170.1 | 1.9 | 112.2 | Q1341 Q1342 T1349 | Q1341-R1345 PolarHBondContact O-N 2.8Å; Q1342-R1345 PolarHBondContact O-N 2.91Å; R1345-T1349 WeakPolarHBondContact O-CB 3.13Å; R1345-T1349 PolarHBondContact O-N 3.11Å; R1345-T1349 PolarHBondContact O-OG1 3.42Å |
| 1346 | L | 72 | Confident | 65.2 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.6 | -42.4 | 174.8 | -160.5 | 157.7 | 0 | 0 | 0 | 110.7 | Q1342 L1343 D1344 T1349 V1350 | Q1342-L1346 WeakPolarHBondContact O-CB 3.4Å; Q1342-L1346 PolarHBondContact O-N 3.17Å; L1343-L1346 PolarHBondContact O-N 2.99Å; D1344-L1346 VanDerWaalsContact C-N 3.33Å; D1344-L1346 PolarHBondContact O-N 2.93Å; L1346-T1349 WeakPolarHBondContact O-CB 3.45Å; L1346-T1349 PolarHBondContact O-N 2.86Å; L1346-V1350 HydrophobicContact CD2-CG2 3.93Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.41Å; L1346-V1350 PolarHBondContact O-N 3.23Å |
| 1347 | H | 74.3 | Confident | 66.2 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57.7 | -49.3 | 172 | -176 | -89 | 0 | 0 | 0 | 111.1 | L1343 D1344 T1349 V1350 S1351 | L1343-H1347 WeakPolarHBondContact O-CB 3.2Å; L1343-H1347 PolarHBondContact O-N 3.26Å; D1344-H1347 PolarHBondContact O-N 2.84Å; H1347-T1349 VanDerWaalsContact C-N 3.27Å; H1347-T1349 PolarHBondContact O-N 3.32Å; H1347-V1350 PolarHBondContact O-N 3Å; H1347-S1351 PolarHBondContact O-N 3.25Å; H1347-S1351 PolarHBondContact O-OG 3.23Å; H1347-S1351 VanDerWaalsContact O-OG 3.09Å |
| 1348 | L | 69.5 | Low | 67.1 | Low | 124 Ų | 124 | 115.6 Ų | 115.6 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.7 | -36.4 | 176 | -161.6 | 75.9 | 0 | 0 | 0 | 112.4 | D1344 R1352 | D1344-L1348 WeakPolarHBondContact O-CB 3.18Å; D1344-L1348 PolarHBondContact O-N 3.25Å; L1348-R1352 WeakPolarHBondContact O-CB 3.24Å; L1348-R1352 PolarHBondContact O-N 2.92Å |
| 1349 | T | 75.9 | Confident | 68.5 | Low | 73 Ų | 73 | 113.4 Ų | 113.4 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | R1345 L1346 H1347 R1352 M1353 | R1345-T1349 WeakPolarHBondContact O-CB 3.13Å; R1345-T1349 PolarHBondContact O-N 3.11Å; R1345-T1349 PolarHBondContact O-OG1 3.42Å; L1346-T1349 WeakPolarHBondContact O-CB 3.45Å; L1346-T1349 PolarHBondContact O-N 2.86Å; H1347-T1349 VanDerWaalsContact C-N 3.27Å; H1347-T1349 PolarHBondContact O-N 3.32Å; T1349-R1352 PolarHBondContact O-N 3.47Å; T1349-M1353 HydrophobicContact CG2-CE 4.45Å; T1349-M1353 WeakPolarHBondContact O-CG 3.39Å; T1349-M1353 PolarHBondContact O-N 3Å |
| 1350 | V | 75.6 | Confident | 69.5 | Low | 81 Ų | 81 | 115.4 Ų | 115.4 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L1346 H1347 R1352 M1353 R1354 | L1346-V1350 HydrophobicContact CD2-CG2 3.93Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.41Å; L1346-V1350 PolarHBondContact O-N 3.23Å; H1347-V1350 PolarHBondContact O-N 3Å; V1350-R1352 VanDerWaalsContact C-N 3.32Å; V1350-R1352 PolarHBondContact O-N 3.18Å; V1350-M1353 PolarHBondContact O-N 3.34Å; V1350-R1354 WeakPolarHBondContact O-CB 3.22Å; V1350-R1354 PolarHBondContact O-N 3.36Å |
| 1351 | S | 69 | Low | 70.4 | Confident | 58 Ų | 58 | 118.9 Ų | 118.9 | 41% | 0.406 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.4 | -42 | 171.1 | -61 | 0 | 0 | 0 | 0 | 111.8 | H1347 R1354 W1355 | H1347-S1351 PolarHBondContact O-N 3.25Å; H1347-S1351 PolarHBondContact O-OG 3.23Å; H1347-S1351 VanDerWaalsContact O-OG 3.09Å; S1351-R1354 PolarHBondContact O-N 3.13Å; S1351-W1355 PolarHBondContact O-N 2.88Å |
| 1352 | R | 75 | Confident | 70.7 | Confident | 182 Ų | 182 | 115.4 Ų | 115.4 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.3 | -37.6 | 177.4 | -167.5 | 174.1 | -175.5 | 174.6 | 1.9 | 112.8 | L1348 T1349 V1350 Q1356 | L1348-R1352 WeakPolarHBondContact O-CB 3.24Å; L1348-R1352 PolarHBondContact O-N 2.92Å; T1349-R1352 PolarHBondContact O-N 3.47Å; V1350-R1352 VanDerWaalsContact C-N 3.32Å; V1350-R1352 PolarHBondContact O-N 3.18Å; R1352-Q1356 WeakPolarHBondContact O-CG 3.22Å; R1352-Q1356 PolarHBondContact O-N 3.24Å |
| 1353 | M | 65.9 | Low | 71.5 | Confident | 119 Ų | 119 | 117.2 Ų | 117.2 | 59% | 0.586 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.1 | -38.8 | 172.2 | -75.8 | 179.7 | 165.9 | 0 | 0 | 112 | T1349 V1350 Q1356 M1357 | T1349-M1353 HydrophobicContact CG2-CE 4.45Å; T1349-M1353 WeakPolarHBondContact O-CG 3.39Å; T1349-M1353 PolarHBondContact O-N 3Å; V1350-M1353 PolarHBondContact O-N 3.34Å; M1353-Q1356 PolarHBondContact O-N 3.21Å; M1353-M1357 PolarHBondContact O-N 3.25Å |
| 1354 | R | 72 | Confident | 71.3 | Confident | 183 Ų | 183 | 116.1 Ų | 116.1 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.6 | -51.5 | 174.7 | -161.4 | 177 | -153.3 | 174.5 | 6.5 | 110.9 | V1350 S1351 Q1356 M1357 D1358 | V1350-R1354 WeakPolarHBondContact O-CB 3.22Å; V1350-R1354 PolarHBondContact O-N 3.36Å; S1351-R1354 PolarHBondContact O-N 3.13Å; R1354-Q1356 VanDerWaalsContact C-N 3.26Å; R1354-Q1356 PolarHBondContact O-N 3.06Å; R1354-M1357 WeakPolarHBondContact O-CA 3.42Å; R1354-M1357 WeakPolarHBondContact O-CB 3.45Å; R1354-M1357 PolarHBondContact O-N 2.83Å; R1354-D1358 PolarHBondContact O-N 3.33Å |
| 1355 | W | 71.6 | Confident | 71.7 | Confident | 161 Ų | 161 | 117.3 Ų | 117.3 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.5 | -36.8 | 175.3 | -177.1 | 85.7 | 0 | 0 | 0 | 113.1 | S1351 L1359 | S1351-W1355 PolarHBondContact O-N 2.88Å; W1355-L1359 HydrophobicContact CH2-CD2 4.02Å; W1355-L1359 HydrophobicContact CZ3-CD2 4.04Å; W1355-L1359 VanDerWaalsContact O-CB 3.28Å; W1355-L1359 WeakPolarHBondContact O-CB 3.34Å; W1355-L1359 PolarHBondContact O-N 2.79Å |
| 1356 | Q | 80.5 | Confident | 71.8 | Confident | 104 Ų | 104 | 114.8 Ų | 114.8 | 49% | 0.486 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.8 | -32.5 | 173.5 | -74.8 | -172.2 | -69.8 | 0 | 0 | 113.5 | R1352 M1353 R1354 L1360 | R1352-Q1356 WeakPolarHBondContact O-CG 3.22Å; R1352-Q1356 PolarHBondContact O-N 3.24Å; M1353-Q1356 PolarHBondContact O-N 3.21Å; R1354-Q1356 VanDerWaalsContact C-N 3.26Å; R1354-Q1356 PolarHBondContact O-N 3.06Å; Q1356-L1360 WeakPolarHBondContact O-CB 3.14Å; Q1356-L1360 VanDerWaalsContact O-CG 3.27Å; Q1356-L1360 WeakPolarHBondContact O-CG 3.03Å; Q1356-L1360 PolarHBondContact O-N 3.07Å |
| 1357 | M | 70.5 | Confident | 71.6 | Confident | 124 Ų | 124 | 114.2 Ų | 114.2 | 61% | 0.611 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70 | -45 | 172.2 | -84.4 | -68.1 | 149.2 | 0 | 0 | 111.7 | M1353 R1354 L1359 L1360 E1361 | M1353-M1357 PolarHBondContact O-N 3.25Å; R1354-M1357 WeakPolarHBondContact O-CA 3.42Å; R1354-M1357 WeakPolarHBondContact O-CB 3.45Å; R1354-M1357 PolarHBondContact O-N 2.83Å; M1357-L1359 PolarHBondContact O-N 3.33Å; M1357-L1360 HydrophobicContact CE-CD1 3.98Å; M1357-L1360 CarbonylContact O-C 3.55Å; M1357-L1360 PolarHBondContact O-N 3Å; M1357-L1360 HydrophobicContact SD-CD1 4.43Å; M1357-E1361 WeakPolarHBondContact O-CB 3.32Å; M1357-E1361 PolarHBondContact O-N 3.27Å |
| 1358 | D | 69.1 | Low | 70.8 | Confident | 88 Ų | 88 | 114 Ų | 114 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.5 | -39.6 | 175.9 | -52.9 | -31.4 | 0 | 0 | 0 | 110.6 | R1354 A1362 | R1354-D1358 PolarHBondContact O-N 3.33Å; D1358-A1362 WeakPolarHBondContact O-CB 3.44Å; D1358-A1362 PolarHBondContact O-N 3Å |
| 1359 | L | 79.2 | Confident | 70.2 | Confident | 70 Ų | 70 | 111.5 Ų | 111.5 | 37% | 0.366 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -35 | 174.5 | -175.6 | 65.2 | 0 | 0 | 0 | 113.5 | W1355 M1357 R1363 | W1355-L1359 HydrophobicContact CH2-CD2 4.02Å; W1355-L1359 HydrophobicContact CZ3-CD2 4.04Å; W1355-L1359 VanDerWaalsContact O-CB 3.28Å; W1355-L1359 WeakPolarHBondContact O-CB 3.34Å; W1355-L1359 PolarHBondContact O-N 2.79Å; M1357-L1359 PolarHBondContact O-N 3.33Å; L1359-R1363 WeakPolarHBondContact O-CG 3.27Å; L1359-R1363 PolarHBondContact O-N 2.93Å; L1359-R1363 VanDerWaalsContact O-N 3.1Å |
| 1360 | L | 69 | Low | 69.8 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.3 | -38.8 | 175.1 | -79.1 | 167.5 | 0 | 0 | 0 | 111.7 | Q1356 M1357 R1363 N1364 | Q1356-L1360 WeakPolarHBondContact O-CB 3.14Å; Q1356-L1360 VanDerWaalsContact O-CG 3.27Å; Q1356-L1360 WeakPolarHBondContact O-CG 3.03Å; Q1356-L1360 PolarHBondContact O-N 3.07Å; M1357-L1360 HydrophobicContact CE-CD1 3.98Å; M1357-L1360 CarbonylContact O-C 3.55Å; M1357-L1360 PolarHBondContact O-N 3Å; M1357-L1360 HydrophobicContact SD-CD1 4.43Å; L1360-R1363 CarbonylContact O-C 3.56Å; L1360-R1363 PolarHBondContact O-N 3.4Å; L1360-N1364 WeakPolarHBondContact O-CB 3.48Å; L1360-N1364 PolarHBondContact O-N 3.31Å |
| 1361 | E | 74.2 | Confident | 68.9 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67 | -41.3 | 176 | -170.4 | 162.9 | -140.6 | 0 | 0 | 111.1 | M1357 R1363 N1364 K1365 | M1357-E1361 WeakPolarHBondContact O-CB 3.32Å; M1357-E1361 PolarHBondContact O-N 3.27Å; E1361-R1363 VanDerWaalsContact C-N 3.32Å; E1361-R1363 PolarHBondContact O-N 2.94Å; E1361-N1364 PolarHBondContact O-N 3.32Å; E1361-K1365 WeakPolarHBondContact O-CB 3.29Å; E1361-K1365 PolarHBondContact O-N 2.93Å |
| 1362 | A | 65.8 | Low | 67.9 | Low | 60 Ų | 60 | 117 Ų | 117 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1358 K1366 | D1358-A1362 WeakPolarHBondContact O-CB 3.44Å; D1358-A1362 PolarHBondContact O-N 3Å; A1362-K1366 WeakPolarHBondContact O-CB 3.31Å; A1362-K1366 PolarHBondContact O-N 3.31Å |
| 1363 | R | 76.1 | Confident | 66.8 | Low | 160 Ų | 160 | 115.4 Ų | 115.4 | 60% | 0.604 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.6 | -38.9 | 174.2 | -78.5 | 178.7 | 176.2 | -163.7 | -1.2 | 112.8 | L1359 L1360 E1361 K1366 L1367 | L1359-R1363 WeakPolarHBondContact O-CG 3.27Å; L1359-R1363 PolarHBondContact O-N 2.93Å; L1359-R1363 VanDerWaalsContact O-N 3.1Å; L1360-R1363 CarbonylContact O-C 3.56Å; L1360-R1363 PolarHBondContact O-N 3.4Å; E1361-R1363 VanDerWaalsContact C-N 3.32Å; E1361-R1363 PolarHBondContact O-N 2.94Å; R1363-K1366 PolarHBondContact O-N 3.31Å; R1363-L1367 WeakPolarHBondContact O-CB 3.27Å; R1363-L1367 WeakPolarHBondContact O-CG 3.48Å; R1363-L1367 PolarHBondContact O-N 2.82Å |
| 1364 | N | 62.2 | Low | 65.9 | Low | 94 Ų | 94 | 117.9 Ų | 117.9 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.8 | -75.6 | -18.7 | 0 | 0 | 0 | 111.3 | L1360 E1361 L1367 Q1368 | L1360-N1364 WeakPolarHBondContact O-CB 3.48Å; L1360-N1364 PolarHBondContact O-N 3.31Å; E1361-N1364 PolarHBondContact O-N 3.32Å; N1364-L1367 PolarHBondContact O-N 2.86Å; N1364-Q1368 WeakPolarHBondContact O-CG 3.23Å; N1364-Q1368 PolarHBondContact O-N 3.12Å |
| 1365 | K | 72.2 | Confident | 64.5 | Low | 128 Ų | 128 | 111.3 Ų | 111.3 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 173.8 | -169.3 | 163.4 | -175.3 | 165 | 0 | 112 | E1361 Q1368 E1369 | E1361-K1365 WeakPolarHBondContact O-CB 3.29Å; E1361-K1365 PolarHBondContact O-N 2.93Å; K1365-Q1368 PolarHBondContact O-N 3.09Å; K1365-E1369 PolarHBondContact O-N 2.89Å |
| 1366 | K | 68.8 | Low | 63 | Low | 144 Ų | 144 | 107.8 Ų | 107.8 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -33 | 174.5 | -164.2 | 164.7 | -173.5 | 168.2 | 0 | 112.9 | A1362 R1363 I1370 | A1362-K1366 WeakPolarHBondContact O-CB 3.31Å; A1362-K1366 PolarHBondContact O-N 3.31Å; R1363-K1366 PolarHBondContact O-N 3.31Å; K1366-I1370 HydrophobicContact CG-CD1 4.4Å; K1366-I1370 WeakPolarHBondContact O-CD1 3.48Å; K1366-I1370 VanDerWaalsContact O-CG1 3.25Å; K1366-I1370 WeakPolarHBondContact O-CG1 3.41Å; K1366-I1370 PolarHBondContact O-N 2.97Å |
| 1367 | L | 66.5 | Low | 60.8 | Low | 95 Ų | 95 | 105.5 Ų | 105.5 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 170.5 | -82.1 | 165.8 | 0 | 0 | 0 | 111.8 | R1363 N1364 E1369 I1370 I1371 | R1363-L1367 WeakPolarHBondContact O-CB 3.27Å; R1363-L1367 WeakPolarHBondContact O-CG 3.48Å; R1363-L1367 PolarHBondContact O-N 2.82Å; N1364-L1367 PolarHBondContact O-N 2.86Å; L1367-E1369 VanDerWaalsContact C-N 3.35Å; L1367-E1369 PolarHBondContact O-N 2.86Å; L1367-I1370 PolarHBondContact O-N 2.92Å; L1367-I1370 VanDerWaalsContact O-N 3.13Å; L1367-I1371 VanDerWaalsContact O-CG1 3.28Å; L1367-I1371 WeakPolarHBondContact O-CG1 3.49Å; L1367-I1371 PolarHBondContact O-N 2.99Å |
| 1368 | Q | 58.8 | Low | 59.2 | Low | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 173.8 | -74.8 | 175.1 | -13.7 | 0 | 0 | 111.6 | N1364 K1365 I1370 I1371 L1372 | N1364-Q1368 WeakPolarHBondContact O-CG 3.23Å; N1364-Q1368 PolarHBondContact O-N 3.12Å; K1365-Q1368 PolarHBondContact O-N 3.09Å; Q1368-I1370 VanDerWaalsContact C-N 3.32Å; Q1368-I1370 PolarHBondContact O-N 2.72Å; Q1368-I1371 PolarHBondContact O-N 3.05Å; Q1368-L1372 WeakPolarHBondContact O-CB 3.47Å; Q1368-L1372 VanDerWaalsContact O-CG 3.27Å; Q1368-L1372 WeakPolarHBondContact O-CG 3.3Å; Q1368-L1372 PolarHBondContact O-N 2.82Å |
| 1369 | E | 55.9 | Low | 57.7 | Low | 72 Ų | 72 | 104 Ų | 104 | 34% | 0.336 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 172.5 | -78.4 | -168.1 | -165.6 | 0 | 0 | 113.6 | K1365 L1367 K1373 | K1365-E1369 PolarHBondContact O-N 2.89Å; L1367-E1369 VanDerWaalsContact C-N 3.35Å; L1367-E1369 PolarHBondContact O-N 2.86Å; E1369-K1373 WeakPolarHBondContact O-CB 3.4Å; E1369-K1373 VanDerWaalsContact O-CD 3.29Å; E1369-K1373 WeakPolarHBondContact O-CD 3.16Å; E1369-K1373 WeakPolarHBondContact O-CG 3.39Å; E1369-K1373 PolarHBondContact O-N 2.75Å; E1369-K1373 VanDerWaalsContact O-N 3.14Å; E1369-K1373 IonicContact OE2-NZ 2.95Å; E1369-K1373 PolarHBondContact OE2-NZ 3.36Å; E1369-K1373 VanDerWaalsContact OE2-NZ 3.14Å |
| 1370 | I | 67.5 | Low | 55.8 | Low | 89 Ų | 89 | 107 Ų | 107 | 46% | 0.456 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72 | -40.4 | 177.6 | -70.8 | 164.3 | 0 | 0 | 0 | 110.7 | K1366 L1367 Q1368 L1372 K1373 Y1374 | K1366-I1370 HydrophobicContact CG-CD1 4.4Å; K1366-I1370 WeakPolarHBondContact O-CD1 3.48Å; K1366-I1370 VanDerWaalsContact O-CG1 3.25Å; K1366-I1370 WeakPolarHBondContact O-CG1 3.41Å; K1366-I1370 PolarHBondContact O-N 2.97Å; L1367-I1370 PolarHBondContact O-N 2.92Å; L1367-I1370 VanDerWaalsContact O-N 3.13Å; Q1368-I1370 VanDerWaalsContact C-N 3.32Å; Q1368-I1370 PolarHBondContact O-N 2.72Å; I1370-L1372 VanDerWaalsContact C-N 3.35Å; I1370-L1372 PolarHBondContact O-N 2.75Å; I1370-K1373 CarbonylContact O-C 3.58Å; I1370-K1373 PolarHBondContact O-N 3.05Å; I1370-Y1374 PolarHBondContact O-N 3.14Å; I1370-Y1374 VanDerWaalsContact O-N 3.12Å |
| 1371 | I | 56.4 | Low | 54 | Low | 122 Ų | 122 | 107 Ų | 107 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 174.3 | -69.5 | 163 | 0 | 0 | 0 | 110.4 | L1367 Q1368 K1373 Y1374 | L1367-I1371 VanDerWaalsContact O-CG1 3.28Å; L1367-I1371 WeakPolarHBondContact O-CG1 3.49Å; L1367-I1371 PolarHBondContact O-N 2.99Å; Q1368-I1371 PolarHBondContact O-N 3.05Å; I1371-K1373 PolarHBondContact O-N 2.99Å; I1371-Y1374 PolarHBondContact O-N 2.76Å |
| 1372 | L | 49.5 | Very low | 52.1 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12 | 174.4 | -69.5 | 168.6 | 0 | 0 | 0 | 114 | Q1368 I1370 | Q1368-L1372 WeakPolarHBondContact O-CB 3.47Å; Q1368-L1372 VanDerWaalsContact O-CG 3.27Å; Q1368-L1372 WeakPolarHBondContact O-CG 3.3Å; Q1368-L1372 PolarHBondContact O-N 2.82Å; I1370-L1372 VanDerWaalsContact C-N 3.35Å; I1370-L1372 PolarHBondContact O-N 2.75Å |
| 1373 | K | 50.5 | Low | 50.6 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -7.7 | 176.3 | -76.1 | 165.9 | -175.8 | 160.7 | 0 | 113.7 | E1369 I1370 I1371 | E1369-K1373 WeakPolarHBondContact O-CB 3.4Å; E1369-K1373 VanDerWaalsContact O-CD 3.29Å; E1369-K1373 WeakPolarHBondContact O-CD 3.16Å; E1369-K1373 WeakPolarHBondContact O-CG 3.39Å; E1369-K1373 PolarHBondContact O-N 2.75Å; E1369-K1373 VanDerWaalsContact O-N 3.14Å; E1369-K1373 IonicContact OE2-NZ 2.95Å; E1369-K1373 PolarHBondContact OE2-NZ 3.36Å; E1369-K1373 VanDerWaalsContact OE2-NZ 3.14Å; I1370-K1373 CarbonylContact O-C 3.58Å; I1370-K1373 PolarHBondContact O-N 3.05Å; I1371-K1373 PolarHBondContact O-N 2.99Å |
| 1374 | Y | 48 | Very low | 48.2 | Very low | 170 Ų | 170 | 104.7 Ų | 104.7 | 67% | 0.667 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -104.1 | 22.5 | -175.8 | -131.2 | -86.7 | 0 | 0 | 0 | 114.5 | I1370 I1371 | I1370-Y1374 PolarHBondContact O-N 3.14Å; I1370-Y1374 VanDerWaalsContact O-N 3.12Å; I1371-Y1374 PolarHBondContact O-N 2.76Å |
| 1375 | N | 43.3 | Very low | 46.6 | Very low | 46 Ų | 46 | 108.4 Ų | 108.4 | 25% | 0.246 | 52% | 0.517 | C | S | . | . | trans | -151.3 | 104.7 | 174.8 | -130.4 | -7.2 | 0 | 0 | 0 | 107.8 | S1993 H1994 Y1995 | N1375-S1993 PolarHBondContact OD1-OG 3.13Å; N1375-H1994 PolarHBondContact OD1-N 2.74Å; N1375-Y1995 VanDerWaalsContact C-CD1 3.42Å; N1375-Y1995 HydrophobicContact CB-CD1 3.6Å; N1375-Y1995 HydrophobicContact CB-CD2 4.14Å; N1375-Y1995 HydrophobicContact CB-CE1 3.86Å; N1375-Y1995 HydrophobicContact CB-CE2 4.36Å; N1375-Y1995 HydrophobicContact CB-CG 3.78Å; N1375-Y1995 WeakPolarHBondContact ND2-CD2 3.06Å; N1375-Y1995 WeakPolarHBondContact O-CD1 3.17Å; N1375-Y1995 WeakPolarHBondContact O-CE1 2.52Å; N1375-Y1995 WeakPolarHBondContact OD1-CB 2.83Å | ||
| 1376 | P | 40.1 | Very low | 44.5 | Very low | 86 Ų | 86 | 108.1 Ų | 108.1 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | trans | -95.5 | -18.6 | -166 | 30.7 | -29 | 0 | 0 | 0 | 116.2 | ||||
| 1377 | D | 32.5 | Very low | 42.6 | Very low | 56 Ų | 56 | 107.3 Ų | 107.3 | 30% | 0.299 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -103.4 | 16.5 | -158 | -56.9 | -60.9 | 0 | 0 | 0 | 118.1 | R1381 H1994 Y1995 H1996 | D1377-R1381 WeakPolarHBondContact O-CG 2.93Å; D1377-H1994 IonicContact OD2-CE1 3.58Å; D1377-H1994 PolarHBondContact OD2-CE1 3.06Å; D1377-H1994 IonicContact OD2-ND1 2.66Å; D1377-H1994 PolarHBondContact OD2-ND1 3.38Å; D1377-Y1995 CarbonylContact C-O 3.4Å; D1377-Y1995 VanDerWaalsContact CB-O 3.25Å; D1377-Y1995 WeakPolarHBondContact CB-O 3.2Å; D1377-H1996 WeakPolarHBondContact CB-ND1 3.42Å; D1377-H1996 PolarHBondContact O-ND1 2.79Å |
| 1378 | E | 37.4 | Very low | 40.6 | Very low | 60 Ų | 60 | 106.8 Ų | 106.8 | 28% | 0.28 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -119.5 | -25.1 | -179.7 | -159.7 | 159.4 | -99.8 | 0 | 0 | 114.8 | R1381 N1382 Y1995 H1996 Y1997 | E1378-R1381 PolarHBondContact O-N 3.24Å; E1378-N1382 PolarHBondContact O-N 3.33Å; E1378-Y1995 HydrophobicContact CB-CD1 3.31Å; E1378-Y1995 HydrophobicContact CB-CD2 3.58Å; E1378-Y1995 HydrophobicContact CB-CE1 3.69Å; E1378-Y1995 HydrophobicContact CB-CE2 3.94Å; E1378-Y1995 HydrophobicContact CB-CG 3.22Å; E1378-Y1995 HydrophobicContact CG-CD2 4.22Å; E1378-Y1995 HydrophobicContact CG-CG 4.28Å; E1378-Y1995 VanDerWaalsContact N-CD1 3.27Å; E1378-Y1995 WeakPolarHBondContact OE1-CA 3.49Å; E1378-Y1995 WeakPolarHBondContact OE2-CD2 3.16Å; E1378-Y1995 VanDerWaalsContact OE2-CE2 3.27Å; E1378-Y1995 WeakPolarHBondContact OE2-CE2 3.42Å; E1378-H1996 PolarHBondContact OE1-N 3.26Å; E1378-Y1997 HydrophobicContact CG-CD2 3.78Å |
| 1379 | L | 38.7 | Very low | 39.1 | Very low | 122 Ų | 122 | 108.4 Ų | 108.4 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -63.8 | -48.1 | 178 | -96.6 | 164.3 | 0 | 0 | 0 | 112.2 | R1381 N1382 | L1379-R1381 PolarHBondContact O-N 3.08Å; L1379-N1382 PolarHBondContact O-N 3.47Å |
| 1380 | L | 39.2 | Very low | 37.7 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -62.4 | -12.6 | 175 | -79.9 | 169.2 | 0 | 0 | 0 | 114.3 | ||
| 1381 | R | 31.3 | Very low | 36 | Very low | 81 Ų | 81 | 118.1 Ų | 118.1 | 31% | 0.306 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -100.8 | -11.7 | -171.4 | -71.6 | -88.3 | -76.6 | -106.7 | -0.1 | 110.2 | D1377 E1378 L1379 H1996 Y1997 P1998 | D1377-R1381 WeakPolarHBondContact O-CG 2.93Å; E1378-R1381 PolarHBondContact O-N 3.24Å; L1379-R1381 PolarHBondContact O-N 3.08Å; R1381-H1996 PolarHBondContact NH1-CD2 3.22Å; R1381-H1996 VanDerWaalsContact NH1-CD2 3.31Å; R1381-H1996 PolarHBondContact NH1-CE1 3.16Å; R1381-H1996 PolarHBondContact NH1-ND1 2.78Å; R1381-H1996 PolarHBondContact NH1-NE2 3.47Å; R1381-H1996 PolarHBondContact NH2-CD2 3.06Å; R1381-H1996 VanDerWaalsContact NH2-CG 3.32Å; R1381-Y1997 VanDerWaalsContact CZ-O 3.26Å; R1381-Y1997 VanDerWaalsContact NE-C 3.3Å; R1381-Y1997 PolarHBondContact NE-O 2.93Å; R1381-Y1997 PolarHBondContact NH2-O 3.08Å; R1381-Y1997 WeakPolarHBondContact O-CB 3.31Å; R1381-Y1997 WeakPolarHBondContact O-CD1 3.49Å; R1381-P1998 WeakPolarHBondContact O-CD 3.41Å; R1381-P1998 WeakPolarHBondContact O-CG 3.26Å |
| 1382 | N | 33.7 | Very low | 35.2 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -87.8 | -11.2 | 176.2 | -146.1 | -21.9 | 0 | 0 | 0 | 114 | E1378 L1379 L1384 Y1997 | E1378-N1382 PolarHBondContact O-N 3.33Å; L1379-N1382 PolarHBondContact O-N 3.47Å; N1382-L1384 VanDerWaalsContact C-N 3.33Å; N1382-L1384 PolarHBondContact O-N 3.13Å; N1382-Y1997 HydrophobicContact CB-CD1 4.29Å; N1382-Y1997 HydrophobicContact CB-CE1 4.18Å; N1382-Y1997 VanDerWaalsContact CG-CE1 3.45Å; N1382-Y1997 PolarHBondContact ND2-OH 2.82Å; N1382-Y1997 WeakPolarHBondContact OD1-CE1 3.42Å; N1382-Y1997 PolarHBondContact OD1-OH 3.19Å |
| 1383 | E | 33.5 | Very low | 35 | Very low | 141 Ų | 141 | 114.6 Ų | 114.6 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 3 | -168 | -59.4 | -168.9 | 120.9 | 0 | 0 | 116 | ||
| 1384 | L | 25.7 | Very low | 34.9 | Very low | 84 Ų | 84 | 109.7 Ų | 109.7 | 44% | 0.44 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 3.2 | -172.5 | -75.3 | 171.4 | 0 | 0 | 0 | 116.2 | N1382 T1386 Y1999 | N1382-L1384 VanDerWaalsContact C-N 3.33Å; N1382-L1384 PolarHBondContact O-N 3.13Å; L1384-T1386 PolarHBondContact O-N 3.25Å; L1384-Y1999 HydrophobicContact CB-CD2 4.17Å; L1384-Y1999 HydrophobicContact CB-CE2 3.54Å; L1384-Y1999 HydrophobicContact CD1-CD2 4.47Å; L1384-Y1999 HydrophobicContact CD1-CE2 4.29Å; L1384-Y1999 HydrophobicContact CG-CE2 4.48Å |
| 1385 | Y | 29.4 | Very low | 34.9 | Very low | 173 Ų | 173 | 102.1 Ų | 102.1 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | trans | -80.6 | 87.6 | 168.3 | -90.4 | -74.2 | 0 | 0 | 0 | 111.4 | V1387 P1998 | Y1385-V1387 VanDerWaalsContact C-N 3.31Å; Y1385-V1387 PolarHBondContact O-N 2.94Å; Y1385-P1998 HydrophobicContact CE2-CB 4.41Å | ||
| 1386 | T | 27.7 | Very low | 35.2 | Very low | 121 Ų | 121 | 101.9 Ų | 101.9 | 74% | 0.742 | 51% | 0.508 | S | S | * | . | trans | -68.7 | 77.4 | -177.8 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | L1384 K1388 | L1384-T1386 PolarHBondContact O-N 3.25Å; T1386-K1388 PolarHBondContact O-N 3.29Å | ||
| 1387 | V | 29.2 | Very low | 35.7 | Very low | 127 Ų | 127 | 100 Ų | 100 | 77% | 0.77 | 49% | 0.493 | S | S | * | . | trans | -64.8 | 123.6 | 157.7 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | Y1385 L1389 | Y1385-V1387 VanDerWaalsContact C-N 3.31Å; Y1385-V1387 PolarHBondContact O-N 2.94Å; V1387-L1389 PolarHBondContact O-N 3.07Å | ||
| 1388 | K | 25.3 | Very low | 36.8 | Very low | 84 Ų | 84 | 97.6 Ų | 97.6 | 37% | 0.365 | 48% | 0.48 | S | S | . | . | trans | -63.8 | 125.4 | 177.5 | -58.4 | 173.9 | -167.2 | 159.7 | 0 | 109.1 | N218 K219 T1386 E1390 | N218-K1388 PolarHBondContact O-NZ 3.16Å; K219-K1388 HydrophobicContact CG-CD 4.41Å; T1386-K1388 PolarHBondContact O-N 3.29Å; K1388-E1390 PolarHBondContact O-N 3.11Å; K1388-E1390 VanDerWaalsContact O-N 3.11Å | ||
| 1389 | L | 27.4 | Very low | 37.7 | Very low | 160 Ų | 160 | 94.9 Ų | 94.9 | 84% | 0.838 | 47% | 0.468 | S | S | * | . | trans | -68.4 | 105 | 152.2 | -86 | 75.6 | 0 | 0 | 0 | 107.4 | V1387 | V1387-L1389 PolarHBondContact O-N 3.07Š| ||
| 1390 | E | 25.7 | Very low | 38.2 | Very low | 150 Ų | 150 | 90.9 Ų | 90.9 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | trans | -64.8 | 152.5 | 149.5 | -61.7 | -171.2 | 155.4 | 0 | 0 | 108.2 | K1388 K1392 | K1388-E1390 PolarHBondContact O-N 3.11Å; K1388-E1390 VanDerWaalsContact O-N 3.11Å; E1390-K1392 PolarHBondContact O-N 2.86Å | ||
| 1391 | K | 30.6 | Very low | 38.5 | Very low | 214 Ų | 214 | 91.3 Ų | 91.3 | 93% | 0.93 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -74 | 63 | -163.5 | -64.6 | -175 | 177.6 | -176.7 | 0 | 114.2 | ||
| 1392 | K | 40.4 | Very low | 39.3 | Very low | 137 Ų | 137 | 90.4 Ų | 90.4 | 60% | 0.596 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 128.9 | 158.2 | -71.5 | -164 | 172.6 | -166.6 | 0 | 108.9 | E1390 S1394 | E1390-K1392 PolarHBondContact O-N 2.86Å; K1392-S1394 PolarHBondContact O-N 3.39Å |
| 1393 | V | 46.1 | Very low | 39.8 | Very low | 30 Ų | 30 | 89.2 Ų | 89.2 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 128.9 | 170.4 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | D1397 L1398 Y1480 N1483 | V1393-D1397 HydrophobicContact CG1-CB 3.81Å; V1393-D1397 WeakPolarHBondContact CG1-OD2 3.14Å; V1393-L1398 HydrophobicContact CG1-CD1 4Å; V1393-Y1480 HydrophobicContact CG1-CD1 4.14Å; V1393-Y1480 HydrophobicContact CG2-CD1 4.4Å; V1393-N1483 HydrophobicContact CG2-CB 3.85Å |
| 1394 | S | 46.9 | Very low | 40.2 | Very low | 44 Ų | 44 | 90.9 Ų | 90.9 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 147.7 | -178.8 | 99.6 | 0 | 0 | 0 | 0 | 109.7 | K1392 Y1396 D1397 | K1392-S1394 PolarHBondContact O-N 3.39Å; S1394-Y1396 PolarHBondContact O-N 3.03Å; S1394-Y1396 WeakPolarHBondContact OG-CB 3.48Å; S1394-Y1396 PolarHBondContact OG-N 3.06Å; S1394-D1397 WeakPolarHBondContact CB-OD1 3.34Å; S1394-D1397 PolarHBondContact N-OD2 3.2Å; S1394-D1397 WeakPolarHBondContact O-CB 3.1Å; S1394-D1397 PolarHBondContact O-N 2.88Å; S1394-D1397 VanDerWaalsContact OG-CG 3.23Å; S1394-D1397 PolarHBondContact OG-N 3.28Å; S1394-D1397 PolarHBondContact OG-OD1 3.35Å |
| 1395 | L | 49 | Very low | 41.3 | Very low | 12 Ų | 12 | 93.9 Ų | 93.9 | 6% | 0.063 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.4 | 173.2 | -91.6 | -177.7 | 0 | 0 | 0 | 112.4 | D1397 S1399 F1484 L1775 I1776 R1779 D1806 N1810 | L1395-D1397 VanDerWaalsContact C-N 3.29Å; L1395-D1397 PolarHBondContact O-N 2.79Å; L1395-S1399 WeakPolarHBondContact O-CB 3.15Å; L1395-F1484 HydrophobicContact CB-CE2 4.43Å; L1395-F1484 HydrophobicContact CD1-CZ 4.39Å; L1395-F1484 HydrophobicContact CD2-CD2 4.08Å; L1395-F1484 HydrophobicContact CD2-CE1 3.91Å; L1395-F1484 HydrophobicContact CD2-CE2 3.43Å; L1395-F1484 VanDerWaalsContact CD2-CE2 3.43Å; L1395-F1484 HydrophobicContact CD2-CZ 3.32Å; L1395-F1484 HydrophobicContact CG-CD2 4.49Å; L1395-F1484 HydrophobicContact CG-CE2 3.53Å; L1395-F1484 HydrophobicContact CG-CZ 3.61Å; L1395-L1775 HydrophobicContact CD1-CD1 4.43Å; L1395-L1775 HydrophobicContact CD1-CD2 4.22Å; L1395-L1775 HydrophobicContact CD1-CG 4.14Å; L1395-I1776 HydrophobicContact CD2-CG1 4.42Å; L1395-R1779 PolarHBondContact O-NE 3.24Å; L1395-R1779 VanDerWaalsContact O-NE 3.13Å; L1395-D1806 HydrophobicContact CD1-CB 4.25Å; L1395-N1810 VanDerWaalsContact CD1-ND2 3.27Å; L1395-N1810 WeakPolarHBondContact CD1-ND2 3.17Å |
| 1396 | Y | 49.1 | Very low | 42.6 | Very low | 41 Ų | 41 | 86.5 Ų | 86.5 | 16% | 0.161 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -25.4 | 175.4 | -114 | -115.6 | 0 | 0 | 0 | 113.4 | S1394 S1399 T1400 R1779 K1799 Q1803 | S1394-Y1396 PolarHBondContact O-N 3.03Å; S1394-Y1396 WeakPolarHBondContact OG-CB 3.48Å; S1394-Y1396 PolarHBondContact OG-N 3.06Å; Y1396-S1399 PolarHBondContact O-N 3.5Å; Y1396-T1400 HydrophobicContact CD1-CG2 3.83Å; Y1396-T1400 WeakPolarHBondContact CD1-OG1 3.44Å; Y1396-T1400 HydrophobicContact CE1-CG2 3.79Å; Y1396-T1400 HydrophobicContact CG-CG2 4.4Å; Y1396-T1400 PolarHBondContact O-N 3.39Å; Y1396-T1400 PolarHBondContact O-OG1 2.96Å; Y1396-R1779 VanDerWaalsContact CE2-NH2 3.28Å; Y1396-K1799 WeakPolarHBondContact OH-CE 3.46Å; Y1396-K1799 WeakPolarHBondContact OH-CG 3.44Å; Y1396-Q1803 HydrophobicContact CD2-CG 4.22Å; Y1396-Q1803 HydrophobicContact CE2-CG 3.39Å; Y1396-Q1803 VanDerWaalsContact CZ-NE2 3.26Å; Y1396-Q1803 PolarHBondContact OH-NE2 3.29Å |
| 1397 | D | 50 | Low | 44.1 | Very low | 46 Ų | 46 | 83.9 Ų | 83.9 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73.8 | -36.7 | -170.8 | -55.5 | -11.2 | 0 | 0 | 0 | 111 | V1393 S1394 L1395 S1399 | V1393-D1397 HydrophobicContact CG1-CB 3.81Å; V1393-D1397 WeakPolarHBondContact CG1-OD2 3.14Å; S1394-D1397 WeakPolarHBondContact CB-OD1 3.34Å; S1394-D1397 PolarHBondContact N-OD2 3.2Å; S1394-D1397 WeakPolarHBondContact O-CB 3.1Å; S1394-D1397 PolarHBondContact O-N 2.88Å; S1394-D1397 VanDerWaalsContact OG-CG 3.23Å; S1394-D1397 PolarHBondContact OG-N 3.28Å; S1394-D1397 PolarHBondContact OG-OD1 3.35Å; L1395-D1397 VanDerWaalsContact C-N 3.29Å; L1395-D1397 PolarHBondContact O-N 2.79Å; D1397-S1399 PolarHBondContact O-N 2.86Å |
| 1398 | L | 56.4 | Low | 45.8 | Very low | 5 Ų | 5 | 78.9 Ų | 78.9 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.6 | -10.1 | 174.2 | -69.9 | 83.3 | 0 | 0 | 0 | 113.2 | V1393 Y1481 F1484 I1776 | V1393-L1398 HydrophobicContact CG1-CD1 4Å; L1398-Y1481 HydrophobicContact CD2-CD2 4.13Å; L1398-F1484 HydrophobicContact CD1-CB 4.21Å; L1398-F1484 HydrophobicContact CD1-CD2 4.28Å; L1398-F1484 HydrophobicContact CD1-CG 4.43Å; L1398-I1776 HydrophobicContact CD2-CD1 4.33Å; L1398-I1776 HydrophobicContact CD2-CG1 4.27Å; L1398-I1776 HydrophobicContact CD2-CG2 4.03Å |
| 1399 | S | 55.6 | Low | 48.1 | Very low | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.028 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -139.8 | -20.1 | -147.2 | 110.9 | 0 | 0 | 0 | 0 | 114.7 | L1395 Y1396 D1397 F1403 R1779 E1783 | L1395-S1399 WeakPolarHBondContact O-CB 3.15Å; Y1396-S1399 PolarHBondContact O-N 3.5Å; D1397-S1399 PolarHBondContact O-N 2.86Å; S1399-F1403 WeakPolarHBondContact O-CD2 3.46Å; S1399-F1403 WeakPolarHBondContact O-CE2 3.47Å; S1399-F1403 WeakPolarHBondContact O-CZ 3.34Å; S1399-R1779 PolarHBondContact OG-NE 3.41Å; S1399-R1779 VanDerWaalsContact OG-NE 3.08Å; S1399-R1779 PolarHBondContact OG-NH2 3.1Å; S1399-E1783 WeakPolarHBondContact CB-OE1 3.39Å; S1399-E1783 WeakPolarHBondContact CB-OE2 3.41Å; S1399-E1783 VanDerWaalsContact OG-CD 3.28Å; S1399-E1783 PolarHBondContact OG-OE1 2.9Å; S1399-E1783 PolarHBondContact OG-OE2 3.42Å |
| 1400 | T | 49.7 | Very low | 50.5 | Low | 37 Ų | 37 | 71.4 Ų | 71.4 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -137.1 | -15.4 | 179.3 | 61.4 | 0 | 0 | 0 | 0 | 114.9 | Y1396 H1402 F1403 | Y1396-T1400 HydrophobicContact CD1-CG2 3.83Å; Y1396-T1400 WeakPolarHBondContact CD1-OG1 3.44Å; Y1396-T1400 HydrophobicContact CE1-CG2 3.79Å; Y1396-T1400 HydrophobicContact CG-CG2 4.4Å; Y1396-T1400 PolarHBondContact O-N 3.39Å; Y1396-T1400 PolarHBondContact O-OG1 2.96Å; T1400-H1402 PolarHBondContact O-N 3.04Å; T1400-F1403 WeakPolarHBondContact O-CB 3.35Å; T1400-F1403 PolarHBondContact O-N 2.93Å |
| 1401 | H | 46.2 | Very low | 53.2 | Low | 142 Ų | 142 | 65.9 Ų | 65.9 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -2.3 | -168.1 | -130.7 | -50.6 | 0 | 0 | 0 | 115.4 | ||
| 1402 | H | 48.2 | Very low | 55.7 | Low | 62 Ų | 62 | 55.7 Ų | 55.7 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 18.7 | 173.5 | -69.5 | -16.2 | 0 | 0 | 0 | 113.6 | T1400 S1406 R1473 | T1400-H1402 PolarHBondContact O-N 3.04Å; H1402-S1406 PolarHBondContact O-OG 3.28Å; H1402-R1473 PolarHBondContact CD2-NE 3.02Å; H1402-R1473 PolarHBondContact NE2-NE 3.28Å |
| 1403 | F | 42.8 | Very low | 57.7 | Low | 59 Ų | 59 | 51 Ų | 51 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | trans | -93.9 | -12.4 | -177.5 | -83.2 | -116.2 | 0 | 0 | 0 | 114.9 | S1399 T1400 F1409 C1458 | S1399-F1403 WeakPolarHBondContact O-CD2 3.46Å; S1399-F1403 WeakPolarHBondContact O-CE2 3.47Å; S1399-F1403 WeakPolarHBondContact O-CZ 3.34Å; T1400-F1403 WeakPolarHBondContact O-CB 3.35Å; T1400-F1403 PolarHBondContact O-N 2.93Å; F1403-F1409 HydrophobicContact CB-CE1 4.21Å; F1403-F1409 HydrophobicContact CB-CZ 4.48Å; F1403-F1409 HydrophobicContact CD1-CD1 4.13Å; F1403-F1409 AromaticContact CD1-CE1 3.34Å; F1403-F1409 HydrophobicContact CD1-CE1 3.34Å; F1403-F1409 AromaticContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD2-CE1 4.07Å; F1403-F1409 AromaticContact CE1-CD1 3.91Å; F1403-F1409 HydrophobicContact CE1-CD1 3.91Å; F1403-F1409 AromaticContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CZ 4.03Å; F1403-F1409 HydrophobicContact CE2-CD1 4.41Å; F1403-F1409 HydrophobicContact CE2-CE1 4.27Å; F1403-F1409 HydrophobicContact CG-CD1 4.49Å; F1403-F1409 AromaticContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CZ 4.13Å; F1403-F1409 HydrophobicContact CZ-CD1 4.07Å; F1403-F1409 HydrophobicContact CZ-CE1 4.06Å; F1403-C1458 HydrophobicContact CE2-CB 4.31Å; F1403-C1458 HydrophobicContact CZ-CB 4.12Å | ||
| 1404 | Q | 43 | Very low | 59.3 | Low | 177 Ų | 177 | 49.6 Ų | 49.6 | 83% | 0.827 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -82.1 | 133.4 | 172.2 | -69.5 | 179.7 | -60.8 | 0 | 0 | 109.4 | S1406 | Q1404-S1406 PolarHBondContact O-N 3.15Å; Q1404-S1406 VanDerWaalsContact O-N 3.1Å |
| 1405 | D | 47.8 | Very low | 60.3 | Low | 147 Ų | 147 | 48.5 Ų | 48.5 | 79% | 0.786 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 62.8 | 2.1 | 178 | -49.5 | -31.5 | 0 | 0 | 0 | 117.7 | L1462 | D1405-L1462 HydrophobicContact CB-CD2 4.44Å; D1405-L1462 VanDerWaalsContact O-CD2 3.23Å; D1405-L1462 WeakPolarHBondContact O-CD2 3.37Å |
| 1406 | S | 58.7 | Low | 60.7 | Low | 18 Ų | 18 | 48.8 Ų | 48.8 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | trans | -73 | 131.7 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | H1402 Q1404 F1409 L1461 | H1402-S1406 PolarHBondContact O-OG 3.28Å; Q1404-S1406 PolarHBondContact O-N 3.15Å; Q1404-S1406 VanDerWaalsContact O-N 3.1Å; S1406-F1409 WeakPolarHBondContact OG-CE1 3.43Å; S1406-F1409 VanDerWaalsContact OG-CZ 3.26Å; S1406-F1409 WeakPolarHBondContact OG-CZ 3.44Å; S1406-L1461 CarbonylContact C-O 3.58Å; S1406-L1461 WeakPolarHBondContact CA-O 3.44Å | ||
| 1407 | C | 57.6 | Low | 60.6 | Low | 66 Ų | 66 | 48.9 Ų | 48.9 | 45% | 0.446 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -83.2 | -26.8 | -174.1 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | L1461 I1559 | C1407-L1461 PolarHBondContact N-O 3.07Å; C1407-I1559 HydrophobicContact CB-CD1 3.78Å |
| 1408 | Q | 66.4 | Low | 60.2 | Low | 22 Ų | 22 | 48.8 Ų | 48.8 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159.4 | 173.8 | -67.6 | -174.5 | 9.6 | 0 | 0 | 111.4 | L1461 I1559 N1563 | Q1408-L1461 PolarHBondContact N-O 2.99Å; Q1408-L1461 PolarHBondContact O-N 2.86Å; Q1408-I1559 HydrophobicContact CB-CD1 4.45Å; Q1408-I1559 HydrophobicContact CG-CD1 4.5Å; Q1408-N1563 PolarHBondContact NE2-OD1 3.2Å |
| 1409 | F | 72 | Confident | 59.1 | Low | 87 Ų | 87 | 51.4 Ų | 51.4 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.2 | -179.6 | -63.5 | -74.7 | 0 | 0 | 0 | 112.1 | F1403 S1406 | F1403-F1409 HydrophobicContact CB-CE1 4.21Å; F1403-F1409 HydrophobicContact CB-CZ 4.48Å; F1403-F1409 HydrophobicContact CD1-CD1 4.13Å; F1403-F1409 AromaticContact CD1-CE1 3.34Å; F1403-F1409 HydrophobicContact CD1-CE1 3.34Å; F1403-F1409 AromaticContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD2-CE1 4.07Å; F1403-F1409 AromaticContact CE1-CD1 3.91Å; F1403-F1409 HydrophobicContact CE1-CD1 3.91Å; F1403-F1409 AromaticContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CZ 4.03Å; F1403-F1409 HydrophobicContact CE2-CD1 4.41Å; F1403-F1409 HydrophobicContact CE2-CE1 4.27Å; F1403-F1409 HydrophobicContact CG-CD1 4.49Å; F1403-F1409 AromaticContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CZ 4.13Å; F1403-F1409 HydrophobicContact CZ-CD1 4.07Å; F1403-F1409 HydrophobicContact CZ-CE1 4.06Å; S1406-F1409 WeakPolarHBondContact OG-CE1 3.43Å; S1406-F1409 VanDerWaalsContact OG-CZ 3.26Å; S1406-F1409 WeakPolarHBondContact OG-CZ 3.44Å |
| 1410 | V | 78.6 | Confident | 58 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.6 | 179.3 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | C1458 T1459 L1461 L1503 L1576 I1578 | V1410-C1458 CarbonylContact O-C 3.59Å; V1410-C1458 VanDerWaalsContact O-CA 3.32Å; V1410-C1458 WeakPolarHBondContact O-CA 3.04Å; V1410-T1459 HydrophobicContact CB-CG2 4.07Å; V1410-T1459 PolarHBondContact N-O 2.86Å; V1410-T1459 PolarHBondContact O-N 2.7Å; V1410-L1461 HydrophobicContact CG2-CD1 3.63Å; V1410-L1461 HydrophobicContact CG2-CD2 4.5Å; V1410-L1461 HydrophobicContact CG2-CG 3.89Å; V1410-L1503 HydrophobicContact CG1-CD1 4.01Å; V1410-L1576 HydrophobicContact CB-CB 4.27Å; V1410-L1576 HydrophobicContact CG1-CB 4.02Å; V1410-L1576 HydrophobicContact CG2-CB 3.99Å; V1410-L1576 HydrophobicContact CG2-CD1 4.12Å; V1410-I1578 HydrophobicContact CB-CD1 4.22Å; V1410-I1578 HydrophobicContact CG1-CB 4.3Å; V1410-I1578 HydrophobicContact CG1-CD1 3.58Å; V1410-I1578 HydrophobicContact CG1-CG1 3.59Å |
| 1411 | Q | 81.6 | Confident | 57.3 | Low | 34 Ų | 34 | 57 Ų | 57 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 138.5 | 175.1 | -58.3 | -164.4 | 23.7 | 0 | 0 | 110.7 | F1413 L1576 S1577 I1578 | Q1411-F1413 HydrophobicContact CB-CD2 4.4Å; Q1411-F1413 HydrophobicContact CB-CE2 3.63Å; Q1411-F1413 HydrophobicContact CB-CZ 4.26Å; Q1411-L1576 PolarHBondContact N-O 2.9Å; Q1411-L1576 VanDerWaalsContact N-O 3.08Å; Q1411-S1577 CarbonylContact O-C 3.56Å; Q1411-S1577 VanDerWaalsContact O-CA 3.29Å; Q1411-S1577 WeakPolarHBondContact O-CA 3.38Å; Q1411-I1578 PolarHBondContact O-N 3.21Å |
| 1412 | V | 83.1 | Confident | 56.4 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.8 | -177.4 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | K1455 I1456 G1457 T1459 L1474 L1477 I1578 I1580 | V1412-K1455 WeakPolarHBondContact O-CA 3.37Å; V1412-I1456 PolarHBondContact O-N 2.62Å; V1412-G1457 PolarHBondContact N-O 3.07Å; V1412-G1457 PolarHBondContact O-N 3.13Å; V1412-T1459 HydrophobicContact CG2-CG2 3.95Å; V1412-L1474 HydrophobicContact CG1-CD2 4.03Å; V1412-L1474 HydrophobicContact CG2-CD2 3.89Å; V1412-L1477 HydrophobicContact CB-CD2 3.85Å; V1412-L1477 HydrophobicContact CG1-CD2 4.04Å; V1412-L1477 HydrophobicContact CG2-CD2 3.77Å; V1412-I1578 HydrophobicContact CG2-CB 4.49Å; V1412-I1580 HydrophobicContact CG1-CD1 3.43Å; V1412-I1580 VanDerWaalsContact CG1-CD1 3.43Å; V1412-I1580 HydrophobicContact CG1-CG1 3.98Å |
| 1413 | F | 83.1 | Confident | 55.7 | Low | 38 Ų | 38 | 62.1 Ų | 62.1 | 17% | 0.167 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.4 | 179.4 | -59.9 | -95.8 | 0 | 0 | 0 | 110.8 | Q1411 F1454 K1455 I1578 Q1579 I1580 | Q1411-F1413 HydrophobicContact CB-CD2 4.4Å; Q1411-F1413 HydrophobicContact CB-CE2 3.63Å; Q1411-F1413 HydrophobicContact CB-CZ 4.26Å; F1413-F1454 CarbonylContact C-O 3.27Å; F1413-F1454 VanDerWaalsContact CA-O 3.23Å; F1413-F1454 WeakPolarHBondContact CA-O 3.25Å; F1413-K1455 HydrophobicContact CD1-CB 3.84Å; F1413-K1455 HydrophobicContact CD1-CG 4.3Å; F1413-K1455 HydrophobicContact CE1-CB 3.75Å; F1413-K1455 HydrophobicContact CE1-CD 4.35Å; F1413-K1455 HydrophobicContact CE1-CG 4.04Å; F1413-K1455 HydrophobicContact CZ-CD 4.4Å; F1413-K1455 HydrophobicContact CZ-CG 4.36Å; F1413-I1578 PolarHBondContact N-O 2.8Å; F1413-Q1579 CarbonylContact O-C 3.57Å; F1413-I1580 WeakPolarHBondContact O-CB 3.45Å; F1413-I1580 PolarHBondContact O-N 3.34Å |
| 1414 | V | 80.4 | Confident | 55.3 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.6 | 163.9 | 157.2 | 0 | 0 | 0 | 0 | 109.3 | T1416 S1453 F1454 I1456 I1580 L1582 F1614 | V1414-T1416 HydrophobicContact CG1-CG2 3.97Å; V1414-S1453 CarbonylContact O-C 3.52Å; V1414-S1453 WeakPolarHBondContact O-CA 3.4Å; V1414-F1454 PolarHBondContact N-O 3.03Å; V1414-F1454 PolarHBondContact O-N 2.93Å; V1414-I1456 HydrophobicContact CB-CD1 3.78Å; V1414-I1456 HydrophobicContact CB-CG1 4.44Å; V1414-I1456 HydrophobicContact CG2-CD1 3.34Å; V1414-I1456 HydrophobicContact CG2-CG1 4.33Å; V1414-I1580 HydrophobicContact CG2-CB 3.7Å; V1414-I1580 HydrophobicContact CG2-CG2 3.7Å; V1414-L1582 HydrophobicContact CG1-CD1 3.77Å; V1414-L1582 HydrophobicContact CG1-CG 4.22Å; V1414-L1582 HydrophobicContact CG2-CD1 4.32Å; V1414-L1582 HydrophobicContact CG2-CD2 4.2Å; V1414-L1582 HydrophobicContact CG2-CG 4.25Å; V1414-F1614 HydrophobicContact CB-CE1 4.41Å; V1414-F1614 HydrophobicContact CG1-CD1 4.42Å; V1414-F1614 HydrophobicContact CG1-CE1 3.82Å; V1414-F1614 HydrophobicContact CG1-CZ 4.46Å |
| 1415 | H | 67.2 | Low | 54.8 | Low | 21 Ų | 21 | 59.8 Ų | 59.8 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.8 | 178.1 | -149 | 91.5 | 0 | 0 | 0 | 110.5 | N1449 I1580 Y1611 | H1415-N1449 PolarHBondContact NE2-O 3.05Å; H1415-I1580 PolarHBondContact N-O 3.13Å; H1415-Y1611 PolarHBondContact O-OH 3.38Å |
| 1416 | T | 57.9 | Low | 54.2 | Low | 18 Ų | 18 | 60.4 Ų | 60.4 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | trans | -101.3 | 26.9 | -177.1 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | V1414 R1452 F1454 Y1611 F1614 | V1414-T1416 HydrophobicContact CG1-CG2 3.97Å; T1416-R1452 PolarHBondContact N-O 2.88Å; T1416-R1452 VanDerWaalsContact OG1-CB 3.3Å; T1416-R1452 WeakPolarHBondContact OG1-CB 3.47Å; T1416-R1452 PolarHBondContact OG1-O 2.92Å; T1416-F1454 HydrophobicContact CG2-CD2 3.8Å; T1416-F1454 HydrophobicContact CG2-CE2 3.75Å; T1416-F1454 WeakPolarHBondContact OG1-CE2 3.18Å; T1416-Y1611 VanDerWaalsContact CA-OH 3.29Å; T1416-Y1611 WeakPolarHBondContact CA-OH 3.39Å; T1416-Y1611 HydrophobicContact CG2-CE2 4.07Å; T1416-Y1611 PolarHBondContact O-OH 2.77Å; T1416-F1614 HydrophobicContact CG2-CD1 4.2Å; T1416-F1614 HydrophobicContact CG2-CE1 4.35Å | ||
| 1417 | E | 46 | Very low | 53 | Low | 44 Ų | 44 | 65.2 Ų | 65.2 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -128.4 | 158.5 | 158 | -61.2 | -163.9 | 125.6 | 0 | 0 | 112.2 | Y1611 | E1417-Y1611 VanDerWaalsContact CA-OH 3.27Å; E1417-Y1611 WeakPolarHBondContact CA-OH 3.26Å; E1417-Y1611 PolarHBondContact N-OH 3.39Å; E1417-Y1611 PolarHBondContact O-OH 2.82Å |
| 1418 | S | 41.5 | Very low | 51.7 | Low | 43 Ų | 43 | 65.6 Ų | 65.6 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 119.5 | -172.9 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | C1420 C1585 | S1418-C1420 PolarHBondContact O-N 2.92Å; S1418-C1420 VanDerWaalsContact O-N 3.14Å; S1418-C1585 WeakPolarHBondContact CA-O 3.17Å; S1418-C1585 WeakPolarHBondContact CB-O 3.23Å |
| 1419 | I | 34.4 | Very low | 49.7 | Very low | 61 Ų | 61 | 71.4 Ų | 71.4 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 116.3 | 172.9 | -66.5 | -173.9 | 0 | 0 | 0 | 110.2 | Y1421 H1581 | I1419-Y1421 PolarHBondContact O-N 3Å; I1419-H1581 WeakPolarHBondContact CD1-CE1 3.23Å; I1419-H1581 WeakPolarHBondContact CD1-NE2 3.32Å |
| 1420 | C | 32.2 | Very low | 47.6 | Very low | 59 Ų | 59 | 74.6 Ų | 74.6 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 116.6 | 159.6 | -71.6 | 0 | 0 | 0 | 0 | 108.6 | S1418 R1422 | S1418-C1420 PolarHBondContact O-N 2.92Å; S1418-C1420 VanDerWaalsContact O-N 3.14Å; C1420-R1422 PolarHBondContact O-N 2.88Å |
| 1421 | Y | 35.2 | Very low | 45 | Very low | 99 Ų | 99 | 79.2 Ų | 79.2 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -62.3 | -5.2 | -171.7 | -92.1 | -104 | 0 | 0 | 0 | 116.3 | I1419 N1423 L1424 T1586 | I1419-Y1421 PolarHBondContact O-N 3Å; Y1421-N1423 PolarHBondContact O-N 3.15Å; Y1421-L1424 HydrophobicContact CD1-CD1 3.7Å; Y1421-L1424 HydrophobicContact CE1-CD1 3.88Å; Y1421-L1424 PolarHBondContact O-N 2.89Å; Y1421-L1424 VanDerWaalsContact O-N 3.1Å; Y1421-T1586 HydrophobicContact CE2-CG2 4.41Å |
| 1422 | R | 27.4 | Very low | 42.3 | Very low | 184 Ų | 184 | 86.3 Ų | 86.3 | 69% | 0.694 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -53.3 | -17.4 | -177.4 | -73.7 | -170.4 | 177.3 | -172 | 0.5 | 115.8 | C1420 | C1420-R1422 PolarHBondContact O-N 2.88Š|
| 1423 | N | 33.1 | Very low | 39.5 | Very low | 128 Ų | 128 | 92.6 Ų | 92.6 | 68% | 0.684 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -88 | -11.4 | -178.3 | -72.4 | 1.9 | 0 | 0 | 0 | 114.3 | Y1421 | Y1421-N1423 PolarHBondContact O-N 3.15Š|
| 1424 | L | 34.7 | Very low | 36.6 | Very low | 60 Ų | 60 | 100.9 Ų | 100.9 | 31% | 0.314 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -44.6 | 175.8 | -80.1 | 160.1 | 0 | 0 | 0 | 111.8 | Y1421 K1426 I1427 | Y1421-L1424 HydrophobicContact CD1-CD1 3.7Å; Y1421-L1424 HydrophobicContact CE1-CD1 3.88Å; Y1421-L1424 PolarHBondContact O-N 2.89Å; Y1421-L1424 VanDerWaalsContact O-N 3.1Å; L1424-K1426 PolarHBondContact O-N 2.96Å; L1424-K1426 VanDerWaalsContact O-N 3.08Å; L1424-I1427 PolarHBondContact O-N 3.43Å; L1424-I1427 VanDerWaalsContact O-N 3.15Å |
| 1425 | D | 32.2 | Very low | 34 | Very low | 127 Ų | 127 | 106.6 Ų | 106.6 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -61.7 | -23 | -175.6 | -57.9 | -39.9 | 0 | 0 | 0 | 114 | ||
| 1426 | K | 35.8 | Very low | 32.1 | Very low | 159 Ų | 159 | 113.7 Ų | 113.7 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -79 | -12.3 | -179.9 | -73.8 | -167.7 | 173.1 | -171.7 | 0 | 114.8 | L1424 S1428 | L1424-K1426 PolarHBondContact O-N 2.96Å; L1424-K1426 VanDerWaalsContact O-N 3.08Å; K1426-S1428 VanDerWaalsContact C-N 3.34Å |
| 1427 | I | 33.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 62% | 0.615 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -80.9 | -20.7 | -179 | -61.5 | 176.6 | 0 | 0 | 0 | 111.1 | L1424 | L1424-I1427 PolarHBondContact O-N 3.43Å; L1424-I1427 VanDerWaalsContact O-N 3.15Å |
| 1428 | S | 29 | Very low | 29.6 | Very low | 73 Ų | 73 | 121.2 Ų | 121.2 | 51% | 0.51 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -82.1 | -21.1 | -169.1 | -51.2 | 0 | 0 | 0 | 0 | 116 | K1426 | K1426-S1428 VanDerWaalsContact C-N 3.34Š|
| 1429 | N | 25.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | -150.2 | 79 | -171.3 | -78 | -59.3 | 0 | 0 | 0 | 113.2 | ||||
| 1430 | I | 27.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -133.5 | 82.5 | 158.3 | -53.9 | -177.3 | 0 | 0 | 0 | 109.9 | ||||
| 1431 | S | 24.3 | Very low | 28.1 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -139.6 | 117.4 | 157.3 | 61.3 | 0 | 0 | 0 | 0 | 107.3 | ||
| 1432 | Q | 25 | Very low | 27.6 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 68.9 | 132.3 | -166.4 | -43.6 | 167.5 | 12.5 | 0 | 0 | 110.8 | ||
| 1433 | C | 24.5 | Very low | 27.6 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 89% | 0.885 | 72% | 0.717 | S | S | * | * | cis | -129.2 | -176.2 | 18.7 | -79.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1434 | R | 22.4 | Very low | 27.3 | Very low | 213 Ų | 213 | 127.9 Ų | 127.9 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -120.5 | 157.7 | -177.5 | -159.3 | -169.6 | 172.5 | 141.3 | 0.2 | 110 | ||||
| 1435 | D | 25.5 | Very low | 26.8 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | 76.6 | 132.9 | 162.2 | -53.9 | -50.6 | 0 | 0 | 0 | 120.1 | ||||
| 1436 | Q | 26.6 | Very low | 26.5 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 67.7 | 142.9 | 162.2 | -62.1 | 171.1 | 58.8 | 0 | 0 | 118.8 | ||||
| 1437 | S | 24 | Very low | 26 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | cis | -160.1 | 162.1 | -18.2 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1438 | A | 27.2 | Very low | 25.7 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | trans | -83.9 | 150.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1439 | A | 24.4 | Very low | 25.6 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -152.8 | 133.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1440 | N | 24.6 | Very low | 25.6 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | 8 | 110.7 | 169.2 | -61.1 | -6.1 | 0 | 0 | 0 | 119.5 | ||||
| 1441 | D | 28.1 | Very low | 26.1 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -148.4 | 97.4 | 147.2 | -146.3 | -20.2 | 0 | 0 | 0 | 110.5 | S1443 | D1441-S1443 PolarHBondContact O-N 3.12Š| ||
| 1442 | N | 24.7 | Very low | 27.5 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 94% | 0.936 | 70% | 0.704 | S | S | * | * | trans | -78.2 | 58.5 | 179.1 | -78.8 | -5.9 | 0 | 0 | 0 | 111.1 | ||||
| 1443 | S | 27.8 | Very low | 29.3 | Very low | 51 Ų | 51 | 117 Ų | 117 | 36% | 0.357 | 68% | 0.68 | S | S | . | * | trans | -138.9 | 74.2 | 165.4 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | D1441 D1445 K1664 | D1441-S1443 PolarHBondContact O-N 3.12Å; S1443-D1445 PolarHBondContact O-N 3.47Å; S1443-K1664 PolarHBondContact OG-NZ 3.06Å | ||
| 1444 | A | 25.7 | Very low | 31.6 | Very low | 94 Ų | 94 | 112.4 Ų | 112.4 | 78% | 0.777 | 65% | 0.645 | S | S | * | * | trans | -71 | 63.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1446 | A1444-T1446 PolarHBondContact O-N 3.46Š| ||
| 1445 | D | 26 | Very low | 34.3 | Very low | 118 Ų | 118 | 102.4 Ų | 102.4 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | trans | -67.8 | 73.7 | 168.3 | -71.4 | -41.9 | 0 | 0 | 0 | 109 | S1443 K1664 | S1443-D1445 PolarHBondContact O-N 3.47Å; D1445-K1664 WeakPolarHBondContact OD2-CE 3.43Å; D1445-K1664 IonicContact OD2-NZ 2.63Å; D1445-K1664 PolarHBondContact OD2-NZ 3.36Å | ||
| 1446 | T | 24.6 | Very low | 36.9 | Very low | 112 Ų | 112 | 96.8 Ų | 96.8 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | trans | -59.2 | 134.6 | 168.7 | 37.1 | 0 | 0 | 0 | 0 | 109 | A1444 I1448 | A1444-T1446 PolarHBondContact O-N 3.46Å; T1446-I1448 PolarHBondContact O-N 3.06Å | ||
| 1447 | P | 26.8 | Very low | 39.4 | Very low | 102 Ų | 102 | 88.7 Ų | 88.7 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | trans | -73.8 | 103 | -167.5 | 27.9 | -34.8 | 0 | 0 | 0 | 111.6 | N1449 | P1447-N1449 PolarHBondContact O-N 2.7Š| ||
| 1448 | I | 26.4 | Very low | 41.7 | Very low | 127 Ų | 127 | 84.4 Ų | 84.4 | 65% | 0.651 | 51% | 0.509 | S | S | * | . | trans | -65.1 | -4.7 | 175.1 | -64.4 | 170 | 0 | 0 | 0 | 112.6 | T1446 C1450 I1451 | T1446-I1448 PolarHBondContact O-N 3.06Å; I1448-C1450 PolarHBondContact O-N 3.33Å; I1448-I1451 HydrophobicContact CG2-CD1 4.47Å | ||
| 1449 | N | 25.9 | Very low | 44.2 | Very low | 90 Ų | 90 | 79.5 Ų | 79.5 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 36.2 | -174.7 | -56.2 | 4.2 | 0 | 0 | 0 | 116.6 | H1415 P1447 | H1415-N1449 PolarHBondContact NE2-O 3.05Å; P1447-N1449 PolarHBondContact O-N 2.7Å |
| 1450 | C | 26.8 | Very low | 46.7 | Very low | 104 Ų | 104 | 75 Ų | 75 | 70% | 0.703 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -4.8 | -177.6 | -153.6 | 0 | 0 | 0 | 0 | 114.8 | I1448 | I1448-C1450 PolarHBondContact O-N 3.33Š|
| 1451 | I | 37.1 | Very low | 49.3 | Very low | 117 Ų | 117 | 67.5 Ų | 67.5 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -95.1 | -6.2 | -164 | -62.2 | 177.5 | 0 | 0 | 0 | 113.8 | I1448 | I1448-I1451 HydrophobicContact CG2-CD1 4.47Š|
| 1452 | R | 53.7 | Low | 51.7 | Low | 71 Ų | 71 | 63.6 Ų | 63.6 | 27% | 0.268 | 37% | 0.37 | S | S | . | . | trans | -134.1 | 45.8 | -171.2 | -54.4 | -172.2 | 178.1 | 178.7 | 1.7 | 117 | T1416 D1652 | T1416-R1452 PolarHBondContact N-O 2.88Å; T1416-R1452 VanDerWaalsContact OG1-CB 3.3Å; T1416-R1452 WeakPolarHBondContact OG1-CB 3.47Å; T1416-R1452 PolarHBondContact OG1-O 2.92Å; R1452-D1652 IonicContact NH1-OD2 3.13Å | ||
| 1453 | S | 63 | Low | 54 | Low | 50 Ų | 50 | 59 Ų | 59 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.7 | 168.9 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | V1414 | V1414-S1453 CarbonylContact O-C 3.52Å; V1414-S1453 WeakPolarHBondContact O-CA 3.4Å |
| 1454 | F | 71.7 | Confident | 56.3 | Low | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.6 | 179.3 | -59.9 | -59.6 | 0 | 0 | 0 | 111.3 | F1413 V1414 T1416 I1456 F1614 | F1413-F1454 CarbonylContact C-O 3.27Å; F1413-F1454 VanDerWaalsContact CA-O 3.23Å; F1413-F1454 WeakPolarHBondContact CA-O 3.25Å; V1414-F1454 PolarHBondContact N-O 3.03Å; V1414-F1454 PolarHBondContact O-N 2.93Å; T1416-F1454 HydrophobicContact CG2-CD2 3.8Å; T1416-F1454 HydrophobicContact CG2-CE2 3.75Å; T1416-F1454 WeakPolarHBondContact OG1-CE2 3.18Å; F1454-I1456 PolarHBondContact O-N 2.88Å; F1454-F1614 HydrophobicContact CD2-CE1 4.28Å |
| 1455 | K | 79.5 | Confident | 59 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 126.2 | 169.5 | -166.2 | 176.6 | 178.2 | 179 | 0 | 109.7 | V1412 F1413 L1780 | V1412-K1455 WeakPolarHBondContact O-CA 3.37Å; F1413-K1455 HydrophobicContact CD1-CB 3.84Å; F1413-K1455 HydrophobicContact CD1-CG 4.3Å; F1413-K1455 HydrophobicContact CE1-CB 3.75Å; F1413-K1455 HydrophobicContact CE1-CD 4.35Å; F1413-K1455 HydrophobicContact CE1-CG 4.04Å; F1413-K1455 HydrophobicContact CZ-CD 4.4Å; F1413-K1455 HydrophobicContact CZ-CG 4.36Å; K1455-L1780 HydrophobicContact CD-CB 4.01Å; K1455-L1780 HydrophobicContact CG-CB 4.42Å; K1455-L1780 HydrophobicContact CG-CD1 4.25Å; K1455-L1780 PolarHBondContact NZ-O 3.37Å |
| 1456 | I | 80.6 | Confident | 61.7 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -30.6 | -176.8 | -73.5 | -164.1 | 0 | 0 | 0 | 112.1 | V1412 V1414 F1454 L1477 Y1481 F1614 L1780 | V1412-I1456 PolarHBondContact O-N 2.62Å; V1414-I1456 HydrophobicContact CB-CD1 3.78Å; V1414-I1456 HydrophobicContact CB-CG1 4.44Å; V1414-I1456 HydrophobicContact CG2-CD1 3.34Å; V1414-I1456 HydrophobicContact CG2-CG1 4.33Å; F1454-I1456 PolarHBondContact O-N 2.88Å; I1456-L1477 HydrophobicContact CG2-CD2 4.33Å; I1456-L1477 HydrophobicContact CG2-CG 4.05Å; I1456-Y1481 HydrophobicContact CB-CD2 4.12Å; I1456-Y1481 HydrophobicContact CB-CE2 4.43Å; I1456-Y1481 HydrophobicContact CB-CG 4.39Å; I1456-Y1481 HydrophobicContact CD1-CD1 4.04Å; I1456-Y1481 HydrophobicContact CD1-CE1 4.18Å; I1456-Y1481 HydrophobicContact CD1-CG 4.32Å; I1456-Y1481 HydrophobicContact CG1-CD1 4.23Å; I1456-Y1481 HydrophobicContact CG1-CD2 4.07Å; I1456-Y1481 HydrophobicContact CG1-CE1 4.19Å; I1456-Y1481 HydrophobicContact CG1-CE2 4.03Å; I1456-Y1481 HydrophobicContact CG1-CG 4.19Å; I1456-Y1481 HydrophobicContact CG2-CD1 4.5Å; I1456-Y1481 HydrophobicContact CG2-CD2 3.89Å; I1456-Y1481 HydrophobicContact CG2-CG 3.82Å; I1456-F1614 HydrophobicContact CD1-CZ 3.88Å; I1456-L1780 WeakPolarHBondContact O-CD1 3.33Å |
| 1457 | G | 78.3 | Confident | 64.5 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -163.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1412 | V1412-G1457 PolarHBondContact N-O 3.07Å; V1412-G1457 PolarHBondContact O-N 3.13Å |
| 1458 | C | 73.8 | Confident | 67.1 | Low | 25 Ų | 25 | 52.4 Ų | 52.4 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.1 | 166.5 | -66 | 0 | 0 | 0 | 0 | 108.4 | F1403 V1410 | F1403-C1458 HydrophobicContact CE2-CB 4.31Å; F1403-C1458 HydrophobicContact CZ-CB 4.12Å; V1410-C1458 CarbonylContact O-C 3.59Å; V1410-C1458 VanDerWaalsContact O-CA 3.32Å; V1410-C1458 WeakPolarHBondContact O-CA 3.04Å |
| 1459 | T | 79.7 | Confident | 69.8 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.6 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | V1410 V1412 L1470 L1474 I1578 | V1410-T1459 HydrophobicContact CB-CG2 4.07Å; V1410-T1459 PolarHBondContact N-O 2.86Å; V1410-T1459 PolarHBondContact O-N 2.7Å; V1412-T1459 HydrophobicContact CG2-CG2 3.95Å; T1459-L1470 HydrophobicContact CG2-CD1 4.22Å; T1459-L1474 HydrophobicContact CG2-CD2 4.46Å; T1459-I1578 HydrophobicContact CG2-CD1 4.18Å |
| 1460 | G | 76 | Confident | 72.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1461 | L | 79.8 | Confident | 75.3 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.4 | 172.3 | -60 | -179.1 | 0 | 0 | 0 | 109.9 | S1406 C1407 Q1408 V1410 M1465 L1470 I1559 I1562 | S1406-L1461 CarbonylContact C-O 3.58Å; S1406-L1461 WeakPolarHBondContact CA-O 3.44Å; C1407-L1461 PolarHBondContact N-O 3.07Å; Q1408-L1461 PolarHBondContact N-O 2.99Å; Q1408-L1461 PolarHBondContact O-N 2.86Å; V1410-L1461 HydrophobicContact CG2-CD1 3.63Å; V1410-L1461 HydrophobicContact CG2-CD2 4.5Å; V1410-L1461 HydrophobicContact CG2-CG 3.89Å; L1461-M1465 HydrophobicContact CD2-CE 3.53Å; L1461-L1470 HydrophobicContact CD2-CD1 4.03Å; L1461-I1559 HydrophobicContact CB-CD1 3.67Å; L1461-I1559 HydrophobicContact CB-CG1 4.03Å; L1461-I1559 HydrophobicContact CD1-CG1 4.28Å; L1461-I1562 HydrophobicContact CD1-CD1 3.29Å |
| 1462 | L | 78.4 | Confident | 77.5 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | trans | -104.3 | 146.1 | 173.3 | -61.6 | 157.4 | 0 | 0 | 0 | 109.2 | D1405 E1464 M1465 | D1405-L1462 HydrophobicContact CB-CD2 4.44Å; D1405-L1462 VanDerWaalsContact O-CD2 3.23Å; D1405-L1462 WeakPolarHBondContact O-CD2 3.37Å; L1462-E1464 PolarHBondContact O-N 2.78Å; L1462-E1464 VanDerWaalsContact O-N 3.1Å; L1462-M1465 HydrophobicContact CB-CB 4.15Å; L1462-M1465 WeakPolarHBondContact O-CB 3.47Å; L1462-M1465 PolarHBondContact O-N 2.75Å; L1462-M1465 VanDerWaalsContact O-N 3.08Å | ||
| 1463 | D | 72.7 | Confident | 78.8 | Confident | 80 Ų | 80 | 39.1 Ų | 39.1 | 43% | 0.428 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -38.3 | -178.4 | -87.3 | -10.1 | 0 | 0 | 0 | 114 | S1557 | D1463-S1557 WeakPolarHBondContact O-CB 3.5Å; D1463-S1557 PolarHBondContact O-OG 3.04Å |
| 1464 | E | 75.8 | Confident | 79.9 | Confident | 123 Ų | 123 | 36.8 Ų | 36.8 | 58% | 0.575 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 12.1 | -173.5 | -52 | -165.1 | 113.4 | 0 | 0 | 113.5 | K121 L1462 | K121-E1464 WeakPolarHBondContact CD-OE1 3.46Å; K121-E1464 WeakPolarHBondContact CD-OE2 3.46Å; K121-E1464 VanDerWaalsContact NZ-CD 3.32Å; K121-E1464 IonicContact NZ-OE1 4Å; K121-E1464 IonicContact NZ-OE2 2.7Å; K121-E1464 PolarHBondContact NZ-OE2 2.81Å; L1462-E1464 PolarHBondContact O-N 2.78Å; L1462-E1464 VanDerWaalsContact O-N 3.1Å |
| 1465 | M | 82.2 | Confident | 80.5 | Confident | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | trans | -71.5 | 133.6 | -178.8 | -157.9 | 163.1 | 102.8 | 0 | 0 | 111.3 | L1461 L1462 D1469 L1470 R1473 S1557 P1558 | L1461-M1465 HydrophobicContact CD2-CE 3.53Å; L1462-M1465 HydrophobicContact CB-CB 4.15Å; L1462-M1465 WeakPolarHBondContact O-CB 3.47Å; L1462-M1465 PolarHBondContact O-N 2.75Å; L1462-M1465 VanDerWaalsContact O-N 3.08Å; M1465-D1469 HydrophobicContact CG-CB 3.45Å; M1465-D1469 VanDerWaalsContact CG-CB 3.45Å; M1465-D1469 HydrophobicContact SD-CB 4.4Å; M1465-L1470 HydrophobicContact CE-CB 3.66Å; M1465-L1470 HydrophobicContact CE-CD1 3.8Å; M1465-L1470 HydrophobicContact CE-CG 4.27Å; M1465-R1473 PolarHBondContact SD-NH1 3.43Å; M1465-S1557 WeakPolarHBondContact O-CA 3.27Å; M1465-S1557 WeakPolarHBondContact O-CB 3.22Å; M1465-P1558 WeakPolarHBondContact O-CD 3.47Å | ||
| 1466 | T | 84 | Confident | 80.6 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 39% | 0.387 | 22% | 0.215 | S | C | . | . | trans | -78.3 | 167.8 | 170.8 | 69 | 0 | 0 | 0 | 0 | 111.2 | E1468 D1469 L1470 | T1466-E1468 PolarHBondContact O-N 3.45Å; T1466-E1468 PolarHBondContact OG1-N 3.47Å; T1466-D1469 WeakPolarHBondContact CB-OD2 3.42Å; T1466-D1469 PolarHBondContact N-OD2 2.83Å; T1466-D1469 PolarHBondContact O-N 3.45Å; T1466-D1469 PolarHBondContact OG1-N 3.14Å; T1466-D1469 PolarHBondContact OG1-OD2 3.35Å; T1466-L1470 PolarHBondContact O-N 3.24Å | ||
| 1467 | W | 81.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 3% | 0.034 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -27.8 | 168.5 | -75 | 99.2 | 0 | 0 | 0 | 112.7 | L1470 D1471 Y1501 L1503 I1518 R1520 I1553 Q1556 P1558 | W1467-L1470 HydrophobicContact CE3-CD2 4.07Å; W1467-L1470 HydrophobicContact CZ3-CD2 4.09Å; W1467-L1470 WeakPolarHBondContact O-CB 3.42Å; W1467-L1470 PolarHBondContact O-N 2.96Å; W1467-D1471 PolarHBondContact O-N 2.91Å; W1467-D1471 VanDerWaalsContact O-OD2 3.1Å; W1467-Y1501 HydrophobicContact CZ3-CE2 4.39Å; W1467-L1503 HydrophobicContact CH2-CD2 3.98Å; W1467-L1503 HydrophobicContact CZ3-CD2 4.36Å; W1467-I1518 HydrophobicContact CH2-CD1 4Å; W1467-I1518 HydrophobicContact CH2-CG2 4.23Å; W1467-I1518 HydrophobicContact CZ2-CD1 4.11Å; W1467-R1520 PolarHBondContact O-NH1 3.4Å; W1467-I1553 VanDerWaalsContact CD1-O 3.26Å; W1467-I1553 HydrophobicContact CZ2-CG2 3.78Å; W1467-I1553 PolarHBondContact NE1-O 2.93Å; W1467-Q1556 PolarHBondContact NE1-O 3.09Å; W1467-P1558 HydrophobicContact CD2-CB 4.32Å; W1467-P1558 HydrophobicContact CD2-CG 3.7Å; W1467-P1558 HydrophobicContact CE3-CB 4.33Å; W1467-P1558 HydrophobicContact CE3-CG 3.91Å; W1467-P1558 HydrophobicContact CG-CG 4.09Å; W1467-P1558 HydrophobicContact CH2-CB 4.06Å; W1467-P1558 HydrophobicContact CH2-CG 4.47Å; W1467-P1558 HydrophobicContact CZ2-CB 4.02Å; W1467-P1558 HydrophobicContact CZ2-CG 4.29Å; W1467-P1558 HydrophobicContact CZ3-CB 4.21Å; W1467-P1558 HydrophobicContact CZ3-CG 4.29Å |
| 1468 | E | 82.4 | Confident | 81 | Confident | 135 Ų | 135 | 44.8 Ų | 44.8 | 63% | 0.631 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -71.8 | -38.9 | 176.5 | -59.6 | -178.7 | 160.1 | 0 | 0 | 111.5 | T1466 L1470 D1471 E1472 | T1466-E1468 PolarHBondContact O-N 3.45Å; T1466-E1468 PolarHBondContact OG1-N 3.47Å; E1468-L1470 PolarHBondContact O-N 2.88Å; E1468-D1471 WeakPolarHBondContact O-CB 3.2Å; E1468-D1471 PolarHBondContact O-N 3.11Å; E1468-D1471 VanDerWaalsContact O-N 3.09Å; E1468-E1472 PolarHBondContact O-N 3.05Å |
| 1469 | D | 82.4 | Confident | 81.4 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.6 | -30.7 | 172.4 | -63.4 | -62.9 | 0 | 0 | 0 | 112.2 | M1465 T1466 R1473 | M1465-D1469 HydrophobicContact CG-CB 3.45Å; M1465-D1469 VanDerWaalsContact CG-CB 3.45Å; M1465-D1469 HydrophobicContact SD-CB 4.4Å; T1466-D1469 WeakPolarHBondContact CB-OD2 3.42Å; T1466-D1469 PolarHBondContact N-OD2 2.83Å; T1466-D1469 PolarHBondContact O-N 3.45Å; T1466-D1469 PolarHBondContact OG1-N 3.14Å; T1466-D1469 PolarHBondContact OG1-OD2 3.35Å; D1469-R1473 WeakPolarHBondContact O-CB 3.17Å; D1469-R1473 WeakPolarHBondContact O-CG 3.08Å; D1469-R1473 PolarHBondContact O-N 3.01Å |
| 1470 | L | 84.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 173.5 | -178.6 | 56.9 | 0 | 0 | 0 | 110.9 | T1459 L1461 M1465 T1466 W1467 E1468 R1473 L1474 Y1501 P1558 I1578 | T1459-L1470 HydrophobicContact CG2-CD1 4.22Å; L1461-L1470 HydrophobicContact CD2-CD1 4.03Å; M1465-L1470 HydrophobicContact CE-CB 3.66Å; M1465-L1470 HydrophobicContact CE-CD1 3.8Å; M1465-L1470 HydrophobicContact CE-CG 4.27Å; T1466-L1470 PolarHBondContact O-N 3.24Å; W1467-L1470 HydrophobicContact CE3-CD2 4.07Å; W1467-L1470 HydrophobicContact CZ3-CD2 4.09Å; W1467-L1470 WeakPolarHBondContact O-CB 3.42Å; W1467-L1470 PolarHBondContact O-N 2.96Å; E1468-L1470 PolarHBondContact O-N 2.88Å; L1470-R1473 PolarHBondContact O-N 2.83Å; L1470-L1474 HydrophobicContact CD1-CD1 4.21Å; L1470-L1474 HydrophobicContact CD1-CG 4.13Å; L1470-L1474 HydrophobicContact CG-CD1 4.03Å; L1470-L1474 HydrophobicContact CG-CG 4.39Å; L1470-L1474 VanDerWaalsContact O-CG 3.28Å; L1470-L1474 WeakPolarHBondContact O-CG 3.43Å; L1470-L1474 PolarHBondContact O-N 2.83Å; L1470-Y1501 HydrophobicContact CD2-CE2 4.03Å; L1470-P1558 HydrophobicContact CD2-CB 4.47Å; L1470-P1558 HydrophobicContact CD2-CG 4.22Å; L1470-I1578 HydrophobicContact CD1-CD1 4.32Å |
| 1471 | D | 84 | Confident | 81.8 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | -179.2 | -55.2 | -29.3 | 0 | 0 | 0 | 111.4 | W1467 E1468 R1473 L1474 Q1475 Y1501 R1520 F1522 | W1467-D1471 PolarHBondContact O-N 2.91Å; W1467-D1471 VanDerWaalsContact O-OD2 3.1Å; E1468-D1471 WeakPolarHBondContact O-CB 3.2Å; E1468-D1471 PolarHBondContact O-N 3.11Å; E1468-D1471 VanDerWaalsContact O-N 3.09Å; D1471-R1473 VanDerWaalsContact C-N 3.32Å; D1471-R1473 PolarHBondContact O-N 3.25Å; D1471-L1474 PolarHBondContact O-N 3.27Å; D1471-Q1475 WeakPolarHBondContact O-CG 3.28Å; D1471-Q1475 PolarHBondContact O-N 2.76Å; D1471-Y1501 WeakPolarHBondContact OD1-CE1 3.31Å; D1471-Y1501 PolarHBondContact OD1-OH 2.91Å; D1471-R1520 IonicContact OD1-CZ 3.81Å; D1471-R1520 IonicContact OD1-NH1 2.62Å; D1471-R1520 PolarHBondContact OD1-NH1 3.04Å; D1471-R1520 IonicContact OD2-CZ 3.96Å; D1471-R1520 VanDerWaalsContact OD2-CZ 3.23Å; D1471-R1520 IonicContact OD2-NH1 3.97Å; D1471-R1520 PolarHBondContact OD2-NH1 3.35Å; D1471-R1520 IonicContact OD2-NH2 2.86Å; D1471-R1520 PolarHBondContact OD2-NH2 3.26Å; D1471-F1522 HydrophobicContact CB-CE1 4.14Å; D1471-F1522 HydrophobicContact CB-CZ 3.91Å; D1471-F1522 VanDerWaalsContact CG-CZ 3.42Å; D1471-F1522 WeakPolarHBondContact OD1-CZ 3.36Å |
| 1472 | E | 82.8 | Confident | 81.9 | Confident | 102 Ų | 102 | 51.2 Ų | 51.2 | 48% | 0.477 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.4 | -153.7 | -147.6 | -174.9 | 0 | 0 | 111.3 | E1468 K1476 | E1468-E1472 PolarHBondContact O-N 3.05Å; E1472-K1476 HydrophobicContact CG-CD 4.49Å; E1472-K1476 WeakPolarHBondContact O-CB 3.46Å; E1472-K1476 VanDerWaalsContact O-CG 3.25Å; E1472-K1476 WeakPolarHBondContact O-CG 3.19Å; E1472-K1476 PolarHBondContact O-N 3.14Å; E1472-K1476 WeakPolarHBondContact OE1-CE 3.25Å; E1472-K1476 IonicContact OE1-NZ 3.88Å; E1472-K1476 PolarHBondContact OE1-NZ 2.94Å; E1472-K1476 IonicContact OE2-NZ 2.75Å; E1472-K1476 PolarHBondContact OE2-NZ 2.9Å |
| 1473 | R | 82.6 | Confident | 82 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 172.2 | -82.8 | -170.3 | 156.5 | 104.9 | -8.7 | 112.8 | H1402 M1465 D1469 L1470 D1471 K1476 L1477 | H1402-R1473 PolarHBondContact CD2-NE 3.02Å; H1402-R1473 PolarHBondContact NE2-NE 3.28Å; M1465-R1473 PolarHBondContact SD-NH1 3.43Å; D1469-R1473 WeakPolarHBondContact O-CB 3.17Å; D1469-R1473 WeakPolarHBondContact O-CG 3.08Å; D1469-R1473 PolarHBondContact O-N 3.01Å; L1470-R1473 PolarHBondContact O-N 2.83Å; D1471-R1473 VanDerWaalsContact C-N 3.32Å; D1471-R1473 PolarHBondContact O-N 3.25Å; R1473-K1476 PolarHBondContact O-N 2.94Å; R1473-L1477 WeakPolarHBondContact O-CB 3.4Å; R1473-L1477 PolarHBondContact O-N 2.76Å |
| 1474 | L | 85.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 179.2 | -68.5 | 172.7 | 0 | 0 | 0 | 111.5 | V1412 T1459 L1470 D1471 L1477 I1478 L1498 Y1501 I1578 I1580 | V1412-L1474 HydrophobicContact CG1-CD2 4.03Å; V1412-L1474 HydrophobicContact CG2-CD2 3.89Å; T1459-L1474 HydrophobicContact CG2-CD2 4.46Å; L1470-L1474 HydrophobicContact CD1-CD1 4.21Å; L1470-L1474 HydrophobicContact CD1-CG 4.13Å; L1470-L1474 HydrophobicContact CG-CD1 4.03Å; L1470-L1474 HydrophobicContact CG-CG 4.39Å; L1470-L1474 VanDerWaalsContact O-CG 3.28Å; L1470-L1474 WeakPolarHBondContact O-CG 3.43Å; L1470-L1474 PolarHBondContact O-N 2.83Å; D1471-L1474 PolarHBondContact O-N 3.27Å; L1474-L1477 PolarHBondContact O-N 2.76Å; L1474-I1478 WeakPolarHBondContact O-CG1 3.35Å; L1474-I1478 PolarHBondContact O-N 2.87Å; L1474-L1498 HydrophobicContact CB-CD2 4.13Å; L1474-Y1501 HydrophobicContact CD1-CD1 3.8Å; L1474-Y1501 HydrophobicContact CD1-CD2 4.16Å; L1474-Y1501 HydrophobicContact CD1-CE1 3.73Å; L1474-Y1501 HydrophobicContact CD1-CE2 4.1Å; L1474-Y1501 HydrophobicContact CD1-CG 3.99Å; L1474-I1578 HydrophobicContact CD1-CD1 4.45Å; L1474-I1578 HydrophobicContact CD1-CG2 4.28Å; L1474-I1578 HydrophobicContact CD2-CD1 4.18Å; L1474-I1578 HydrophobicContact CD2-CG2 4.31Å; L1474-I1580 HydrophobicContact CD2-CD1 4.25Å |
| 1475 | Q | 83.4 | Confident | 82.7 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 173.5 | -70.9 | 179 | 17.2 | 0 | 0 | 112 | D1471 L1477 I1478 Q1479 L1498 | D1471-Q1475 WeakPolarHBondContact O-CG 3.28Å; D1471-Q1475 PolarHBondContact O-N 2.76Å; Q1475-L1477 VanDerWaalsContact C-N 3.33Å; Q1475-L1477 PolarHBondContact O-N 2.89Å; Q1475-I1478 PolarHBondContact O-N 3.28Å; Q1475-Q1479 PolarHBondContact O-N 2.93Å; Q1475-L1498 HydrophobicContact CG-CB 4.09Å; Q1475-L1498 HydrophobicContact CG-CD2 4.25Å |
| 1476 | K | 82.3 | Confident | 82.6 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.4 | -75.3 | 168 | -178.6 | 172 | 0 | 111.8 | E1472 R1473 I1478 Q1479 Y1480 | E1472-K1476 HydrophobicContact CG-CD 4.49Å; E1472-K1476 WeakPolarHBondContact O-CB 3.46Å; E1472-K1476 VanDerWaalsContact O-CG 3.25Å; E1472-K1476 WeakPolarHBondContact O-CG 3.19Å; E1472-K1476 PolarHBondContact O-N 3.14Å; E1472-K1476 WeakPolarHBondContact OE1-CE 3.25Å; E1472-K1476 IonicContact OE1-NZ 3.88Å; E1472-K1476 PolarHBondContact OE1-NZ 2.94Å; E1472-K1476 IonicContact OE2-NZ 2.75Å; E1472-K1476 PolarHBondContact OE2-NZ 2.9Å; R1473-K1476 PolarHBondContact O-N 2.94Å; K1476-I1478 PolarHBondContact O-N 2.88Å; K1476-Q1479 PolarHBondContact O-N 3.4Å; K1476-Y1480 HydrophobicContact CB-CD2 4.4Å; K1476-Y1480 HydrophobicContact CB-CE2 4.04Å; K1476-Y1480 WeakPolarHBondContact O-CD2 3.32Å; K1476-Y1480 PolarHBondContact O-N 3.37Å |
| 1477 | L | 83.5 | Confident | 82.1 | Confident | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 178.5 | -172.8 | 67.8 | 0 | 0 | 0 | 112.4 | V1412 I1456 R1473 L1474 Q1475 Q1479 Y1480 Y1481 | V1412-L1477 HydrophobicContact CB-CD2 3.85Å; V1412-L1477 HydrophobicContact CG1-CD2 4.04Å; V1412-L1477 HydrophobicContact CG2-CD2 3.77Å; I1456-L1477 HydrophobicContact CG2-CD2 4.33Å; I1456-L1477 HydrophobicContact CG2-CG 4.05Å; R1473-L1477 WeakPolarHBondContact O-CB 3.4Å; R1473-L1477 PolarHBondContact O-N 2.76Å; L1474-L1477 PolarHBondContact O-N 2.76Å; Q1475-L1477 VanDerWaalsContact C-N 3.33Å; Q1475-L1477 PolarHBondContact O-N 2.89Å; L1477-Q1479 VanDerWaalsContact C-N 3.34Å; L1477-Q1479 PolarHBondContact O-N 3.2Å; L1477-Y1480 PolarHBondContact O-N 2.86Å; L1477-Y1481 WeakPolarHBondContact O-CB 3.48Å; L1477-Y1481 PolarHBondContact O-N 3.38Å |
| 1478 | I | 83.5 | Confident | 81.8 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 172 | -68.4 | 162.7 | 0 | 0 | 0 | 110.2 | L1474 Q1475 K1476 Y1481 I1482 L1496 L1498 I1580 L1582 | L1474-I1478 WeakPolarHBondContact O-CG1 3.35Å; L1474-I1478 PolarHBondContact O-N 2.87Å; Q1475-I1478 PolarHBondContact O-N 3.28Å; K1476-I1478 PolarHBondContact O-N 2.88Å; I1478-Y1481 PolarHBondContact O-N 3.43Å; I1478-I1482 HydrophobicContact CG2-CD1 3.71Å; I1478-I1482 HydrophobicContact CG2-CG1 4.44Å; I1478-I1482 WeakPolarHBondContact O-CG1 3.33Å; I1478-I1482 PolarHBondContact O-N 3.17Å; I1478-L1496 HydrophobicContact CG2-CD2 4.31Å; I1478-L1498 HydrophobicContact CD1-CD1 4.29Å; I1478-I1580 HydrophobicContact CD1-CD1 4.1Å; I1478-I1580 HydrophobicContact CD1-CG2 4.32Å; I1478-I1580 HydrophobicContact CG1-CD1 4.25Å; I1478-L1582 HydrophobicContact CD1-CD2 3.96Å |
| 1479 | Q | 82.3 | Confident | 81.6 | Confident | 64 Ų | 64 | 42.6 Ų | 42.6 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.1 | -41.2 | -178.5 | -167.7 | 63.8 | 58.8 | 0 | 0 | 112.7 | Q1475 K1476 L1477 Y1481 I1482 N1483 | Q1475-Q1479 PolarHBondContact O-N 2.93Å; K1476-Q1479 PolarHBondContact O-N 3.4Å; L1477-Q1479 VanDerWaalsContact C-N 3.34Å; L1477-Q1479 PolarHBondContact O-N 3.2Å; Q1479-Y1481 VanDerWaalsContact C-N 3.32Å; Q1479-Y1481 PolarHBondContact O-N 2.84Å; Q1479-I1482 PolarHBondContact O-N 3.15Å; Q1479-N1483 PolarHBondContact NE2-OD1 2.89Å; Q1479-N1483 WeakPolarHBondContact O-CB 3.23Å; Q1479-N1483 PolarHBondContact O-N 3.05Å; Q1479-N1483 PolarHBondContact O-OD1 3.48Å |
| 1480 | Y | 80.4 | Confident | 81.4 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 174.7 | -69.7 | -55.9 | 0 | 0 | 0 | 112 | V1393 K1476 L1477 N1483 F1484 | V1393-Y1480 HydrophobicContact CG1-CD1 4.14Å; V1393-Y1480 HydrophobicContact CG2-CD1 4.4Å; K1476-Y1480 HydrophobicContact CB-CD2 4.4Å; K1476-Y1480 HydrophobicContact CB-CE2 4.04Å; K1476-Y1480 WeakPolarHBondContact O-CD2 3.32Å; K1476-Y1480 PolarHBondContact O-N 3.37Å; L1477-Y1480 PolarHBondContact O-N 2.86Å; Y1480-N1483 PolarHBondContact O-N 3.49Å; Y1480-F1484 PolarHBondContact O-N 2.99Å |
| 1481 | Y | 83.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.8 | -179.9 | -89 | 0 | 0 | 0 | 112.5 | L1398 I1456 L1477 I1478 Q1479 F1484 L1485 F1614 R1773 I1776 | L1398-Y1481 HydrophobicContact CD2-CD2 4.13Å; I1456-Y1481 HydrophobicContact CB-CD2 4.12Å; I1456-Y1481 HydrophobicContact CB-CE2 4.43Å; I1456-Y1481 HydrophobicContact CB-CG 4.39Å; I1456-Y1481 HydrophobicContact CD1-CD1 4.04Å; I1456-Y1481 HydrophobicContact CD1-CE1 4.18Å; I1456-Y1481 HydrophobicContact CD1-CG 4.32Å; I1456-Y1481 HydrophobicContact CG1-CD1 4.23Å; I1456-Y1481 HydrophobicContact CG1-CD2 4.07Å; I1456-Y1481 HydrophobicContact CG1-CE1 4.19Å; I1456-Y1481 HydrophobicContact CG1-CE2 4.03Å; I1456-Y1481 HydrophobicContact CG1-CG 4.19Å; I1456-Y1481 HydrophobicContact CG2-CD1 4.5Å; I1456-Y1481 HydrophobicContact CG2-CD2 3.89Å; I1456-Y1481 HydrophobicContact CG2-CG 3.82Å; L1477-Y1481 WeakPolarHBondContact O-CB 3.48Å; L1477-Y1481 PolarHBondContact O-N 3.38Å; I1478-Y1481 PolarHBondContact O-N 3.43Å; Q1479-Y1481 VanDerWaalsContact C-N 3.32Å; Q1479-Y1481 PolarHBondContact O-N 2.84Å; Y1481-F1484 PolarHBondContact O-N 3.28Å; Y1481-L1485 HydrophobicContact CD1-CD1 3.86Å; Y1481-L1485 HydrophobicContact CD1-CG 4.31Å; Y1481-L1485 HydrophobicContact CE1-CD1 3.29Å; Y1481-L1485 HydrophobicContact CE1-CG 3.98Å; Y1481-L1485 WeakPolarHBondContact O-CG 3.49Å; Y1481-L1485 PolarHBondContact O-N 3.45Å; Y1481-F1614 AromaticContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CZ 4.12Å; Y1481-F1614 AromaticContact CE1-CE2 3.64Å; Y1481-F1614 HydrophobicContact CE1-CE2 3.64Å; Y1481-F1614 AromaticContact CE1-CZ 3.53Å; Y1481-F1614 HydrophobicContact CE1-CZ 3.53Å; Y1481-R1773 PolarHBondContact OH-NE 2.71Å; Y1481-I1776 HydrophobicContact CD2-CD1 3.91Å; Y1481-I1776 HydrophobicContact CD2-CG2 4.01Å; Y1481-I1776 HydrophobicContact CE2-CB 4.39Å; Y1481-I1776 HydrophobicContact CE2-CD1 3.78Å; Y1481-I1776 HydrophobicContact CE2-CG2 3.79Å |
| 1482 | I | 83.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 174.1 | -67.8 | 165.2 | 0 | 0 | 0 | 110.7 | I1478 Q1479 F1484 L1485 D1486 L1493 L1496 | I1478-I1482 HydrophobicContact CG2-CD1 3.71Å; I1478-I1482 HydrophobicContact CG2-CG1 4.44Å; I1478-I1482 WeakPolarHBondContact O-CG1 3.33Å; I1478-I1482 PolarHBondContact O-N 3.17Å; Q1479-I1482 PolarHBondContact O-N 3.15Å; I1482-F1484 PolarHBondContact O-N 2.86Å; I1482-L1485 PolarHBondContact O-N 2.64Å; I1482-D1486 PolarHBondContact O-N 2.88Å; I1482-L1493 HydrophobicContact CD1-CB 4.15Å; I1482-L1493 HydrophobicContact CG2-CB 3.99Å; I1482-L1496 HydrophobicContact CD1-CB 4.11Å; I1482-L1496 HydrophobicContact CD1-CD2 3.79Å |
| 1483 | N | 80.9 | Confident | 80.3 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -25.7 | -179.6 | -68.8 | 1 | 0 | 0 | 0 | 113.2 | V1393 Q1479 Y1480 P1487 | V1393-N1483 HydrophobicContact CG2-CB 3.85Å; Q1479-N1483 PolarHBondContact NE2-OD1 2.89Å; Q1479-N1483 WeakPolarHBondContact O-CB 3.23Å; Q1479-N1483 PolarHBondContact O-N 3.05Å; Q1479-N1483 PolarHBondContact O-OD1 3.48Å; Y1480-N1483 PolarHBondContact O-N 3.49Å; N1483-P1487 WeakPolarHBondContact O-CA 3.45Å |
| 1484 | F | 80.3 | Confident | 79.3 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80.4 | -42.5 | 172.6 | -170 | -79.5 | 0 | 0 | 0 | 112.2 | L1395 L1398 Y1480 Y1481 I1482 D1486 N1772 L1775 I1776 | L1395-F1484 HydrophobicContact CB-CE2 4.43Å; L1395-F1484 HydrophobicContact CD1-CZ 4.39Å; L1395-F1484 HydrophobicContact CD2-CD2 4.08Å; L1395-F1484 HydrophobicContact CD2-CE1 3.91Å; L1395-F1484 HydrophobicContact CD2-CE2 3.43Å; L1395-F1484 VanDerWaalsContact CD2-CE2 3.43Å; L1395-F1484 HydrophobicContact CD2-CZ 3.32Å; L1395-F1484 HydrophobicContact CG-CD2 4.49Å; L1395-F1484 HydrophobicContact CG-CE2 3.53Å; L1395-F1484 HydrophobicContact CG-CZ 3.61Å; L1398-F1484 HydrophobicContact CD1-CB 4.21Å; L1398-F1484 HydrophobicContact CD1-CD2 4.28Å; L1398-F1484 HydrophobicContact CD1-CG 4.43Å; Y1480-F1484 PolarHBondContact O-N 2.99Å; Y1481-F1484 PolarHBondContact O-N 3.28Å; I1482-F1484 PolarHBondContact O-N 2.86Å; F1484-D1486 VanDerWaalsContact C-N 3.33Å; F1484-D1486 PolarHBondContact O-N 2.86Å; F1484-N1772 HydrophobicContact CD1-CB 4.33Å; F1484-N1772 HydrophobicContact CE1-CB 4.09Å; F1484-L1775 HydrophobicContact CZ-CD2 4.42Å; F1484-I1776 HydrophobicContact CB-CD1 4.23Å; F1484-I1776 HydrophobicContact CD1-CD1 3.4Å; F1484-I1776 VanDerWaalsContact CD1-CD1 3.4Å; F1484-I1776 HydrophobicContact CD1-CG1 3.49Å; F1484-I1776 VanDerWaalsContact CD1-CG1 3.49Å; F1484-I1776 HydrophobicContact CE1-CD1 4.15Å; F1484-I1776 HydrophobicContact CE1-CG1 3.8Å; F1484-I1776 HydrophobicContact CG-CD1 4.09Å; F1484-I1776 HydrophobicContact CG-CG1 4.21Å |
| 1485 | L | 81.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 176.8 | -75.6 | -177.5 | 0 | 0 | 0 | 111.9 | Y1481 I1482 L1617 N1772 R1773 I1776 | Y1481-L1485 HydrophobicContact CD1-CD1 3.86Å; Y1481-L1485 HydrophobicContact CD1-CG 4.31Å; Y1481-L1485 HydrophobicContact CE1-CD1 3.29Å; Y1481-L1485 HydrophobicContact CE1-CG 3.98Å; Y1481-L1485 WeakPolarHBondContact O-CG 3.49Å; Y1481-L1485 PolarHBondContact O-N 3.45Å; I1482-L1485 PolarHBondContact O-N 2.64Å; L1485-L1617 HydrophobicContact CD1-CD2 4.06Å; L1485-N1772 HydrophobicContact CD2-CB 4.41Å; L1485-N1772 PolarHBondContact O-ND2 3.49Å; L1485-R1773 VanDerWaalsContact CD2-CA 3.48Å; L1485-R1773 HydrophobicContact CD2-CB 3.6Å; L1485-R1773 HydrophobicContact CD2-CG 4.46Å; L1485-I1776 HydrophobicContact CD2-CD1 3.86Å; L1485-I1776 HydrophobicContact CG-CD1 4.2Å |
| 1486 | D | 80.1 | Confident | 77.2 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | trans | -135.5 | 86.7 | -176.9 | -176.5 | -0.2 | 0 | 0 | 0 | 110.8 | I1482 F1484 N1488 N1489 Q1490 L1491 R1769 | I1482-D1486 PolarHBondContact O-N 2.88Å; F1484-D1486 VanDerWaalsContact C-N 3.33Å; F1484-D1486 PolarHBondContact O-N 2.86Å; D1486-N1488 PolarHBondContact O-N 2.87Å; D1486-N1488 WeakPolarHBondContact OD1-CA 3.28Å; D1486-N1488 PolarHBondContact OD1-N 2.78Å; D1486-N1489 PolarHBondContact O-N 3.06Å; D1486-N1489 VanDerWaalsContact O-N 3.14Å; D1486-N1489 PolarHBondContact OD1-N 2.8Å; D1486-Q1490 PolarHBondContact OD1-N 2.99Å; D1486-Q1490 WeakPolarHBondContact OD2-CA 3.36Å; D1486-Q1490 PolarHBondContact OD2-N 2.75Å; D1486-L1491 HydrophobicContact CB-CD1 3.98Å; D1486-L1491 HydrophobicContact CB-CG 4.19Å; D1486-L1491 WeakPolarHBondContact OD2-CG 3.25Å; D1486-L1491 PolarHBondContact OD2-N 3.06Å; D1486-R1769 HydrophobicContact CB-CG 4.48Å; D1486-R1769 IonicContact OD2-NH1 2.75Å | ||
| 1487 | P | 73.6 | Confident | 76.5 | Confident | 55 Ų | 55 | 44.9 Ų | 44.9 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -9.2 | 177.8 | 29.3 | -36.1 | 0 | 0 | 0 | 113.5 | N1483 | N1483-P1487 WeakPolarHBondContact O-CA 3.45Š|
| 1488 | N | 75.7 | Confident | 76.1 | Confident | 114 Ų | 114 | 44.5 Ų | 44.5 | 61% | 0.61 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -8.3 | 176.1 | -63.4 | -20.2 | 0 | 0 | 0 | 112.4 | D1486 Q1490 | D1486-N1488 PolarHBondContact O-N 2.87Å; D1486-N1488 WeakPolarHBondContact OD1-CA 3.28Å; D1486-N1488 PolarHBondContact OD1-N 2.78Å; N1488-Q1490 HydrophobicContact CB-CG 3.88Å; N1488-Q1490 PolarHBondContact O-N 2.87Å |
| 1489 | N | 78.6 | Confident | 75.6 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | trans | 52.4 | 35.1 | -178.3 | -171.2 | 28 | 0 | 0 | 0 | 114.6 | D1486 L1491 Q1492 E1494 | D1486-N1489 PolarHBondContact O-N 3.06Å; D1486-N1489 VanDerWaalsContact O-N 3.14Å; D1486-N1489 PolarHBondContact OD1-N 2.8Å; N1489-L1491 VanDerWaalsContact C-N 3.27Å; N1489-L1491 PolarHBondContact O-N 2.92Å; N1489-Q1492 PolarHBondContact O-N 3.02Å; N1489-E1494 WeakPolarHBondContact ND2-CG 3.43Å; N1489-E1494 PolarHBondContact ND2-OE1 3.26Å | ||
| 1490 | Q | 77.7 | Confident | 75.3 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.4 | 175 | -64.1 | 165.5 | -34.6 | 0 | 0 | 112.3 | D1486 N1488 Q1492 E1765 | D1486-Q1490 PolarHBondContact OD1-N 2.99Å; D1486-Q1490 WeakPolarHBondContact OD2-CA 3.36Å; D1486-Q1490 PolarHBondContact OD2-N 2.75Å; N1488-Q1490 HydrophobicContact CB-CG 3.88Å; N1488-Q1490 PolarHBondContact O-N 2.87Å; Q1490-Q1492 PolarHBondContact O-N 3.27Å; Q1490-E1765 VanDerWaalsContact NE2-CD 3.29Å; Q1490-E1765 PolarHBondContact NE2-OE1 3.44Å; Q1490-E1765 PolarHBondContact OE1-OE1 3.49Å; Q1490-E1765 PolarHBondContact OE1-OE2 3.07Å |
| 1491 | L | 77.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.3 | 172.3 | -64.8 | 177.6 | 0 | 0 | 0 | 113.2 | D1486 N1489 L1493 L1617 L1620 | D1486-L1491 HydrophobicContact CB-CD1 3.98Å; D1486-L1491 HydrophobicContact CB-CG 4.19Å; D1486-L1491 WeakPolarHBondContact OD2-CG 3.25Å; D1486-L1491 PolarHBondContact OD2-N 3.06Å; N1489-L1491 VanDerWaalsContact C-N 3.27Å; N1489-L1491 PolarHBondContact O-N 2.92Å; L1491-L1493 HydrophobicContact CB-CD1 3.87Å; L1491-L1493 HydrophobicContact CB-CG 3.89Å; L1491-L1493 HydrophobicContact CD1-CD1 4Å; L1491-L1617 HydrophobicContact CD1-CD2 4.26Å; L1491-L1620 WeakPolarHBondContact O-CB 3.44Å |
| 1492 | Q | 76.9 | Confident | 75.4 | Confident | 93 Ų | 93 | 40.7 Ų | 40.7 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | trans | 57.3 | 43.4 | 180 | -57.8 | -171.8 | -23.8 | 0 | 0 | 114.3 | N1489 Q1490 | N1489-Q1492 PolarHBondContact O-N 3.02Å; Q1490-Q1492 PolarHBondContact O-N 3.27Å | ||
| 1493 | L | 74.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | -95.4 | 14.7 | -172.8 | -68.1 | 175.7 | 0 | 0 | 0 | 114.9 | I1482 L1491 S1495 L1496 K1610 C1613 F1614 | I1482-L1493 HydrophobicContact CD1-CB 4.15Å; I1482-L1493 HydrophobicContact CG2-CB 3.99Å; L1491-L1493 HydrophobicContact CB-CD1 3.87Å; L1491-L1493 HydrophobicContact CB-CG 3.89Å; L1491-L1493 HydrophobicContact CD1-CD1 4Å; L1493-S1495 PolarHBondContact O-N 3.14Å; L1493-L1496 HydrophobicContact CD2-CD1 4.46Å; L1493-L1496 WeakPolarHBondContact O-CB 3.47Å; L1493-L1496 PolarHBondContact O-N 2.84Å; L1493-L1496 VanDerWaalsContact O-N 3.12Å; L1493-K1610 HydrophobicContact CD2-CB 4.17Å; L1493-C1613 HydrophobicContact CD2-CB 4.21Å; L1493-F1614 HydrophobicContact CD1-CB 4.43Å; L1493-F1614 HydrophobicContact CD1-CD2 4.41Å | ||
| 1494 | E | 60.6 | Low | 75.5 | Confident | 145 Ų | 145 | 38.5 Ų | 38.5 | 68% | 0.678 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -6.4 | 178 | -59.4 | -176.2 | 149.9 | 0 | 0 | 115.5 | N1489 | N1489-E1494 WeakPolarHBondContact ND2-CG 3.43Å; N1489-E1494 PolarHBondContact ND2-OE1 3.26Å |
| 1495 | S | 57.6 | Low | 75.7 | Confident | 54 Ų | 54 | 37.7 Ų | 37.7 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 28.1 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | L1493 E1497 K1610 | L1493-S1495 PolarHBondContact O-N 3.14Å; S1495-E1497 VanDerWaalsContact C-N 3.35Å; S1495-E1497 PolarHBondContact O-N 3.4Å; S1495-E1497 VanDerWaalsContact O-N 3.09Å; S1495-K1610 PolarHBondContact O-NZ 3.36Å; S1495-K1610 VanDerWaalsContact OG-CE 3.26Å; S1495-K1610 WeakPolarHBondContact OG-CE 3.39Å; S1495-K1610 PolarHBondContact OG-NZ 3.18Å; S1495-K1610 VanDerWaalsContact OG-NZ 3.16Å |
| 1496 | L | 67.2 | Low | 75.5 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | trans | -82.6 | 76.5 | 178 | -162.9 | 72 | 0 | 0 | 0 | 111.2 | I1478 I1482 L1493 L1582 K1610 F1614 | I1478-L1496 HydrophobicContact CG2-CD2 4.31Å; I1482-L1496 HydrophobicContact CD1-CB 4.11Å; I1482-L1496 HydrophobicContact CD1-CD2 3.79Å; L1493-L1496 HydrophobicContact CD2-CD1 4.46Å; L1493-L1496 WeakPolarHBondContact O-CB 3.47Å; L1493-L1496 PolarHBondContact O-N 2.84Å; L1493-L1496 VanDerWaalsContact O-N 3.12Å; L1496-L1582 HydrophobicContact CD1-CD1 4.28Å; L1496-L1582 HydrophobicContact CD2-CD1 3.82Å; L1496-L1582 HydrophobicContact CD2-CD2 4.26Å; L1496-L1582 HydrophobicContact CG-CD1 4.15Å; L1496-L1582 HydrophobicContact CG-CD2 4.21Å; L1496-K1610 HydrophobicContact CD1-CB 3.88Å; L1496-K1610 HydrophobicContact CD1-CD 4.43Å; L1496-F1614 HydrophobicContact CD2-CD2 3.83Å; L1496-F1614 HydrophobicContact CD2-CE2 4.4Å; L1496-F1614 HydrophobicContact CD2-CG 4.37Å | ||
| 1497 | E | 68.6 | Low | 75.4 | Confident | 95 Ų | 95 | 38.5 Ų | 38.5 | 44% | 0.444 | 20% | 0.199 | S | C | . | . | trans | -69.3 | 151.3 | -176.4 | -70.8 | 174.9 | -123.6 | 0 | 0 | 114.2 | S1495 K1583 | S1495-E1497 VanDerWaalsContact C-N 3.35Å; S1495-E1497 PolarHBondContact O-N 3.4Å; S1495-E1497 VanDerWaalsContact O-N 3.09Å; E1497-K1583 HydrophobicContact CB-CB 4.12Å; E1497-K1583 HydrophobicContact CB-CD 3.73Å; E1497-K1583 HydrophobicContact CG-CD 4.31Å; E1497-K1583 PolarHBondContact O-N 3.08Å; E1497-K1583 IonicContact OE1-NZ 2.75Å; E1497-K1583 PolarHBondContact OE1-NZ 3.1Å; E1497-K1583 IonicContact OE2-NZ 2.83Å; E1497-K1583 PolarHBondContact OE2-NZ 2.94Å | ||
| 1498 | L | 75.3 | Confident | 74.9 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.2 | 172.4 | -176.3 | 64.6 | 0 | 0 | 0 | 110 | L1474 Q1475 I1478 Y1501 F1522 I1580 | L1474-L1498 HydrophobicContact CB-CD2 4.13Å; Q1475-L1498 HydrophobicContact CG-CB 4.09Å; Q1475-L1498 HydrophobicContact CG-CD2 4.25Å; I1478-L1498 HydrophobicContact CD1-CD1 4.29Å; L1498-Y1501 HydrophobicContact CD1-CD1 4.31Å; L1498-Y1501 HydrophobicContact CD2-CD1 4.01Å; L1498-Y1501 HydrophobicContact CD2-CE1 4.16Å; L1498-Y1501 HydrophobicContact CG-CD1 4.4Å; L1498-F1522 HydrophobicContact CB-CE2 4.45Å; L1498-F1522 HydrophobicContact CD2-CE2 3.58Å; L1498-F1522 HydrophobicContact CD2-CZ 3.81Å; L1498-F1522 HydrophobicContact CG-CD2 4.21Å; L1498-F1522 HydrophobicContact CG-CE2 3.63Å; L1498-F1522 HydrophobicContact CG-CZ 4.34Å; L1498-F1522 WeakPolarHBondContact O-CD2 3.18Å; L1498-I1580 HydrophobicContact CD1-CB 4.48Å; L1498-I1580 HydrophobicContact CD1-CD1 4.39Å; L1498-I1580 HydrophobicContact CD1-CG1 4.33Å; L1498-I1580 HydrophobicContact CD1-CG2 3.59Å |
| 1499 | Q | 71.3 | Confident | 74.1 | Confident | 41 Ų | 41 | 36 Ų | 36 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -39.7 | -179.2 | -178.4 | -175.4 | -21.7 | 0 | 0 | 112.7 | F1522 H1581 L1582 K1583 G1584 T1586 | Q1499-F1522 WeakPolarHBondContact O-CD2 3.44Å; Q1499-F1522 PolarHBondContact O-N 3Å; Q1499-H1581 PolarHBondContact N-O 2.94Å; Q1499-L1582 PolarHBondContact OE1-O 3.43Å; Q1499-K1583 HydrophobicContact CB-CB 4.31Å; Q1499-G1584 VanDerWaalsContact OE1-N 3.13Å; Q1499-T1586 PolarHBondContact NE2-OG1 2.85Å |
| 1500 | A | 77.5 | Confident | 72.8 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 165.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1520 H1581 | A1500-R1520 CarbonylContact C-O 3.26Å; A1500-R1520 WeakPolarHBondContact CA-O 3.25Å; A1500-R1520 WeakPolarHBondContact CB-O 3.41Å; A1500-H1581 HydrophobicContact CB-CB 4.33Å; A1500-H1581 PolarHBondContact N-O 3.22Å; A1500-H1581 VanDerWaalsContact N-O 3.07Å; A1500-H1581 PolarHBondContact O-N 2.95Å; A1500-H1581 VanDerWaalsContact O-O 3.08Å |
| 1501 | Y | 81.9 | Confident | 71.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 152.3 | 162.9 | 59.9 | -90.9 | 0 | 0 | 0 | 112 | W1467 L1470 D1471 L1474 L1498 R1520 F1522 I1578 Q1579 | W1467-Y1501 HydrophobicContact CZ3-CE2 4.39Å; L1470-Y1501 HydrophobicContact CD2-CE2 4.03Å; D1471-Y1501 WeakPolarHBondContact OD1-CE1 3.31Å; D1471-Y1501 PolarHBondContact OD1-OH 2.91Å; L1474-Y1501 HydrophobicContact CD1-CD1 3.8Å; L1474-Y1501 HydrophobicContact CD1-CD2 4.16Å; L1474-Y1501 HydrophobicContact CD1-CE1 3.73Å; L1474-Y1501 HydrophobicContact CD1-CE2 4.1Å; L1474-Y1501 HydrophobicContact CD1-CG 3.99Å; L1498-Y1501 HydrophobicContact CD1-CD1 4.31Å; L1498-Y1501 HydrophobicContact CD2-CD1 4.01Å; L1498-Y1501 HydrophobicContact CD2-CE1 4.16Å; L1498-Y1501 HydrophobicContact CG-CD1 4.4Å; Y1501-R1520 HydrophobicContact CE1-CB 4.46Å; Y1501-R1520 HydrophobicContact CE2-CB 4.27Å; Y1501-R1520 PolarHBondContact N-O 2.9Å; Y1501-R1520 PolarHBondContact O-N 3.14Å; Y1501-R1520 PolarHBondContact OH-NH1 3.29Å; Y1501-F1522 HydrophobicContact CD1-CE2 4.09Å; Y1501-F1522 AromaticContact CE1-CE2 3.96Å; Y1501-F1522 HydrophobicContact CE1-CE2 3.96Å; Y1501-F1522 AromaticContact CE1-CZ 3.97Å; Y1501-F1522 HydrophobicContact CE1-CZ 3.97Å; Y1501-I1578 HydrophobicContact CD2-CG2 4.02Å; Y1501-I1578 HydrophobicContact CG-CG2 4.17Å; Y1501-Q1579 CarbonylContact C-O 2.75Å; Y1501-Q1579 WeakPolarHBondContact CA-O 3.4Å; Y1501-Q1579 WeakPolarHBondContact CB-O 3.49Å |
| 1502 | Q | 82.9 | Confident | 70.3 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 111.6 | 176.1 | -176.9 | 174.1 | -36.4 | 0 | 0 | 109.2 | N1504 S1517 I1518 V1519 I1578 Q1579 | Q1502-N1504 WeakPolarHBondContact CG-OD1 3.39Å; Q1502-N1504 PolarHBondContact NE2-OD1 3.11Å; Q1502-S1517 PolarHBondContact NE2-OG 2.98Å; Q1502-I1518 CarbonylContact C-O 3.59Å; Q1502-I1518 VanDerWaalsContact CA-O 3.28Å; Q1502-I1518 WeakPolarHBondContact CA-O 3.41Å; Q1502-V1519 HydrophobicContact CB-CG2 4.13Å; Q1502-V1519 HydrophobicContact CG-CG2 3.85Å; Q1502-I1578 CarbonylContact O-C 3.57Å; Q1502-I1578 WeakPolarHBondContact O-CA 3.41Å; Q1502-Q1579 HydrophobicContact CB-CB 4.42Å; Q1502-Q1579 PolarHBondContact N-O 2.95Å; Q1502-Q1579 PolarHBondContact O-N 3.26Å |
| 1503 | L | 84.2 | Confident | 69.7 | Low | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 110.3 | 171.6 | 174.4 | 65.6 | 0 | 0 | 0 | 108.4 | V1410 W1467 S1517 I1518 W1561 I1562 I1578 | V1410-L1503 HydrophobicContact CG1-CD1 4.01Å; W1467-L1503 HydrophobicContact CH2-CD2 3.98Å; W1467-L1503 HydrophobicContact CZ3-CD2 4.36Å; L1503-S1517 CarbonylContact O-C 3.55Å; L1503-S1517 WeakPolarHBondContact O-CA 3.1Å; L1503-I1518 PolarHBondContact N-O 3.19Å; L1503-I1518 PolarHBondContact O-N 3.37Å; L1503-W1561 HydrophobicContact CD2-CE3 3.86Å; L1503-W1561 HydrophobicContact CD2-CZ3 3.78Å; L1503-W1561 HydrophobicContact CG-CZ3 3.96Å; L1503-I1562 HydrophobicContact CD2-CD1 4.43Å; L1503-I1562 HydrophobicContact CD2-CG1 4.48Å; L1503-I1578 HydrophobicContact CB-CG1 4.33Å; L1503-I1578 HydrophobicContact CD1-CD1 4.17Å; L1503-I1578 HydrophobicContact CD1-CG1 3.62Å |
| 1504 | N | 83.6 | Confident | 69.4 | Low | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.2 | 178 | -62.9 | -49.9 | 0 | 0 | 0 | 110.8 | Q1502 T1506 Q1516 S1517 S1577 Q1579 | Q1502-N1504 WeakPolarHBondContact CG-OD1 3.39Å; Q1502-N1504 PolarHBondContact NE2-OD1 3.11Å; N1504-T1506 HydrophobicContact CB-CG2 4.11Å; N1504-Q1516 WeakPolarHBondContact CA-O 3.22Å; N1504-S1517 VanDerWaalsContact OD1-CB 3.22Å; N1504-S1517 WeakPolarHBondContact OD1-CB 3.12Å; N1504-S1577 PolarHBondContact N-O 2.94Å; N1504-S1577 PolarHBondContact O-N 3.44Å; N1504-Q1579 PolarHBondContact ND2-OE1 3.16Å |
| 1505 | F | 82.5 | Confident | 70 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118 | 159.3 | 177.5 | -88.8 | 0 | 0 | 0 | 107.9 | L1507 Q1516 W1561 I1562 M1565 I1566 A1571 Y1574 L1576 | F1505-L1507 HydrophobicContact CE1-CB 4.19Å; F1505-L1507 HydrophobicContact CE1-CD1 4.39Å; F1505-Q1516 HydrophobicContact CB-CB 4.29Å; F1505-Q1516 HydrophobicContact CD1-CB 4.47Å; F1505-Q1516 PolarHBondContact N-O 3.11Å; F1505-Q1516 PolarHBondContact O-N 3.2Å; F1505-W1561 HydrophobicContact CB-CH2 3.92Å; F1505-W1561 HydrophobicContact CB-CZ3 4.15Å; F1505-I1562 HydrophobicContact CD2-CG2 4.25Å; F1505-M1565 HydrophobicContact CD1-CB 4.08Å; F1505-M1565 HydrophobicContact CD2-CB 4.22Å; F1505-M1565 HydrophobicContact CE1-CB 4.16Å; F1505-M1565 HydrophobicContact CE2-CB 4.31Å; F1505-M1565 HydrophobicContact CG-CB 4.11Å; F1505-M1565 HydrophobicContact CZ-CB 4.28Å; F1505-I1566 HydrophobicContact CE2-CG1 3.74Å; F1505-I1566 HydrophobicContact CZ-CG1 4.2Å; F1505-A1571 HydrophobicContact CZ-CB 3.86Å; F1505-Y1574 HydrophobicContact CD2-CD2 4.13Å; F1505-Y1574 HydrophobicContact CD2-CG 4.38Å; F1505-Y1574 HydrophobicContact CE2-CD1 4.16Å; F1505-Y1574 AromaticContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CE2 4.36Å; F1505-Y1574 AromaticContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CZ-CD1 4.39Å; F1505-Y1574 HydrophobicContact CZ-CD2 4.45Å; F1505-Y1574 AromaticContact CZ-CG 3.91Å; F1505-Y1574 HydrophobicContact CZ-CG 3.91Å; F1505-L1576 HydrophobicContact CB-CD2 4.34Å; F1505-L1576 HydrophobicContact CD2-CD2 3.91Å |
| 1506 | T | 78.8 | Confident | 70.8 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.8 | -178.9 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | N1504 T1515 Y1574 T1575 | N1504-T1506 HydrophobicContact CB-CG2 4.11Å; T1506-T1515 HydrophobicContact CG2-CG2 3.61Å; T1506-Y1574 CarbonylContact O-C 3.43Å; T1506-Y1574 VanDerWaalsContact O-CA 3.28Å; T1506-Y1574 WeakPolarHBondContact O-CA 3.43Å; T1506-T1575 PolarHBondContact N-O 2.81Å; T1506-T1575 PolarHBondContact O-N 2.95Å; T1506-T1575 PolarHBondContact OG1-O 3.47Å; T1506-T1575 PolarHBondContact OG1-OG1 3.06Å |
| 1507 | L | 78.1 | Confident | 71.2 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.8 | -172.5 | -174.5 | 78.3 | 0 | 0 | 0 | 109.7 | F1505 E1509 I1513 K1514 Y1569 A1571 | F1505-L1507 HydrophobicContact CE1-CB 4.19Å; F1505-L1507 HydrophobicContact CE1-CD1 4.39Å; L1507-E1509 HydrophobicContact CD2-CG 3.76Å; L1507-E1509 HydrophobicContact CG-CG 4.06Å; L1507-I1513 WeakPolarHBondContact O-CA 3.47Å; L1507-K1514 HydrophobicContact CB-CB 4.39Å; L1507-K1514 PolarHBondContact N-O 3.48Å; L1507-K1514 PolarHBondContact O-N 3.15Å; L1507-Y1569 HydrophobicContact CD2-CD1 3.85Å; L1507-Y1569 HydrophobicContact CD2-CG 3.93Å; L1507-A1571 HydrophobicContact CD1-CB 3.41Å; L1507-A1571 VanDerWaalsContact CD1-CB 3.41Å |
| 1508 | T | 63.2 | Low | 71.7 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 105.6 | 175.5 | 39.9 | 0 | 0 | 0 | 0 | 111.1 | L871 I873 I1513 | L871-T1508 HydrophobicContact CD1-CG2 3.44Å; L871-T1508 VanDerWaalsContact CD1-CG2 3.44Å; I873-T1508 HydrophobicContact CD1-CG2 3.82Å; I873-T1508 HydrophobicContact CG1-CG2 4.4Å; T1508-I1513 HydrophobicContact CG2-CG1 4.22Å |
| 1509 | E | 57.8 | Low | 71.7 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.4 | 176.9 | -70.8 | -175 | 126.7 | 0 | 0 | 109.7 | L1507 S1511 E1512 K1514 | L1507-E1509 HydrophobicContact CD2-CG 3.76Å; L1507-E1509 HydrophobicContact CG-CG 4.06Å; E1509-S1511 VanDerWaalsContact C-N 3.25Å; E1509-S1511 PolarHBondContact O-N 3.1Å; E1509-E1512 PolarHBondContact N-O 2.99Å; E1509-E1512 VanDerWaalsContact N-O 3.14Å; E1509-E1512 PolarHBondContact O-N 3.41Å; E1509-K1514 IonicContact OE2-NZ 2.7Å; E1509-K1514 PolarHBondContact OE2-NZ 3.08Å |
| 1510 | Q | 52.1 | Low | 72 | Confident | 195 Ų | 195 | 45.1 Ų | 45.1 | 91% | 0.911 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 42 | 168.1 | -56.4 | -172.3 | 3.9 | 0 | 0 | 115 | E1512 | Q1510-E1512 VanDerWaalsContact C-N 3.29Å; Q1510-E1512 PolarHBondContact O-N 3.32Å |
| 1511 | S | 51.6 | Low | 71.7 | Confident | 119 Ų | 119 | 45.8 Ų | 45.8 | 83% | 0.832 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -4.2 | -176 | -5.7 | 0 | 0 | 0 | 0 | 116.9 | E1509 | E1509-S1511 VanDerWaalsContact C-N 3.25Å; E1509-S1511 PolarHBondContact O-N 3.1Å |
| 1512 | E | 50.7 | Low | 70.9 | Confident | 121 Ų | 121 | 47.3 Ų | 47.3 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 141.2 | 170.4 | -66.1 | -172 | 154.1 | 0 | 0 | 111.7 | E1509 Q1510 K1514 | E1509-E1512 PolarHBondContact N-O 2.99Å; E1509-E1512 VanDerWaalsContact N-O 3.14Å; E1509-E1512 PolarHBondContact O-N 3.41Å; Q1510-E1512 VanDerWaalsContact C-N 3.29Å; Q1510-E1512 PolarHBondContact O-N 3.32Å; E1512-K1514 WeakPolarHBondContact OE2-CE 3.42Å; E1512-K1514 IonicContact OE2-NZ 3.9Å |
| 1513 | I | 63.7 | Low | 69.3 | Low | 65 Ų | 65 | 48.2 Ų | 48.2 | 33% | 0.333 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 106.3 | 170.3 | -52.8 | 176.1 | 0 | 0 | 0 | 107.8 | L871 L1507 T1508 T1515 | L871-I1513 HydrophobicContact CD1-CD1 4.01Å; L871-I1513 HydrophobicContact CD1-CG1 4.23Å; L871-I1513 HydrophobicContact CD1-CG2 4.04Å; L871-I1513 HydrophobicContact CG-CD1 4.4Å; L1507-I1513 WeakPolarHBondContact O-CA 3.47Å; T1508-I1513 HydrophobicContact CG2-CG1 4.22Å; I1513-T1515 HydrophobicContact CG2-CG2 4.04Å |
| 1514 | K | 68.1 | Low | 67 | Low | 75 Ų | 75 | 52.3 Ų | 52.3 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.9 | 177.3 | -65.1 | 172.2 | -169.5 | 167.7 | 0 | 108.7 | L1507 E1509 E1512 | L1507-K1514 HydrophobicContact CB-CB 4.39Å; L1507-K1514 PolarHBondContact N-O 3.48Å; L1507-K1514 PolarHBondContact O-N 3.15Å; E1509-K1514 IonicContact OE2-NZ 2.7Å; E1509-K1514 PolarHBondContact OE2-NZ 3.08Å; E1512-K1514 WeakPolarHBondContact OE2-CE 3.42Å; E1512-K1514 IonicContact OE2-NZ 3.9Å |
| 1515 | T | 72.3 | Confident | 64.4 | Low | 95 Ų | 95 | 56.8 Ų | 56.8 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.7 | 179.7 | 62 | 0 | 0 | 0 | 0 | 110.5 | T1506 I1513 | T1506-T1515 HydrophobicContact CG2-CG2 3.61Å; I1513-T1515 HydrophobicContact CG2-CG2 4.04Å |
| 1516 | Q | 76.2 | Confident | 61.7 | Low | 27 Ų | 27 | 62.2 Ų | 62.2 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.6 | 171 | -78.7 | -92.8 | -10.1 | 0 | 0 | 107 | N1504 F1505 W1561 M1565 Y1569 | N1504-Q1516 WeakPolarHBondContact CA-O 3.22Å; F1505-Q1516 HydrophobicContact CB-CB 4.29Å; F1505-Q1516 HydrophobicContact CD1-CB 4.47Å; F1505-Q1516 PolarHBondContact N-O 3.11Å; F1505-Q1516 PolarHBondContact O-N 3.2Å; Q1516-W1561 HydrophobicContact CB-CH2 4.39Å; Q1516-W1561 HydrophobicContact CB-CZ2 4.26Å; Q1516-M1565 HydrophobicContact CB-SD 4.42Å; Q1516-M1565 HydrophobicContact CG-SD 3.94Å; Q1516-Y1569 HydrophobicContact CG-CE2 3.96Å; Q1516-Y1569 PolarHBondContact NE2-OH 2.96Å |
| 1517 | S | 74.9 | Confident | 59.1 | Low | 34 Ų | 34 | 69 Ų | 69 | 24% | 0.238 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.3 | 180 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | Q1502 L1503 N1504 P1545 | Q1502-S1517 PolarHBondContact NE2-OG 2.98Å; L1503-S1517 CarbonylContact O-C 3.55Å; L1503-S1517 WeakPolarHBondContact O-CA 3.1Å; N1504-S1517 VanDerWaalsContact OD1-CB 3.22Å; N1504-S1517 WeakPolarHBondContact OD1-CB 3.12Å; S1517-P1545 VanDerWaalsContact O-CD 3.24Å; S1517-P1545 WeakPolarHBondContact O-CD 3.42Å; S1517-P1545 WeakPolarHBondContact O-CG 3.41Å |
| 1518 | I | 78.2 | Confident | 56.5 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.4 | 162.4 | -74.2 | 179.7 | 0 | 0 | 0 | 107.5 | W1467 Q1502 L1503 V1542 L1544 I1553 W1561 | W1467-I1518 HydrophobicContact CH2-CD1 4Å; W1467-I1518 HydrophobicContact CH2-CG2 4.23Å; W1467-I1518 HydrophobicContact CZ2-CD1 4.11Å; Q1502-I1518 CarbonylContact C-O 3.59Å; Q1502-I1518 VanDerWaalsContact CA-O 3.28Å; Q1502-I1518 WeakPolarHBondContact CA-O 3.41Å; L1503-I1518 PolarHBondContact N-O 3.19Å; L1503-I1518 PolarHBondContact O-N 3.37Å; I1518-V1542 HydrophobicContact CG2-CG1 3.55Å; I1518-L1544 HydrophobicContact CD1-CD2 4.12Å; I1518-L1544 HydrophobicContact CG1-CD2 3.97Å; I1518-L1544 HydrophobicContact CG2-CD2 4.36Å; I1518-I1553 HydrophobicContact CD1-CD1 3.97Å; I1518-I1553 HydrophobicContact CD1-CG2 4.47Å; I1518-W1561 HydrophobicContact CD1-CB 4.31Å; I1518-W1561 HydrophobicContact CD1-CD2 3.44Å; I1518-W1561 VanDerWaalsContact CD1-CD2 3.44Å; I1518-W1561 HydrophobicContact CD1-CE3 4.04Å; I1518-W1561 HydrophobicContact CD1-CG 3.53Å; I1518-W1561 HydrophobicContact CD1-CZ2 4.2Å; I1518-W1561 HydrophobicContact CG1-CD2 4.08Å; I1518-W1561 HydrophobicContact CG1-CH2 4.38Å; I1518-W1561 HydrophobicContact CG1-CZ2 3.87Å |
| 1519 | V | 76.6 | Confident | 54.7 | Low | 9 Ų | 9 | 77.3 Ų | 77.3 | 6% | 0.055 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.6 | 169.5 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | Q1502 V1542 L1543 | Q1502-V1519 HydrophobicContact CB-CG2 4.13Å; Q1502-V1519 HydrophobicContact CG-CG2 3.85Å; V1519-V1542 CarbonylContact O-C 3.54Å; V1519-V1542 WeakPolarHBondContact O-CA 3.27Å; V1519-L1543 HydrophobicContact CB-CB 4.27Å; V1519-L1543 PolarHBondContact N-O 2.76Å; V1519-L1543 VanDerWaalsContact N-O 3.11Å; V1519-L1543 PolarHBondContact O-N 2.81Å |
| 1520 | R | 77.1 | Confident | 53.1 | Low | 6 Ų | 6 | 79.2 Ų | 79.2 | 2% | 0.023 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.8 | 176.5 | -170.9 | 143.7 | 171.2 | -80.7 | -9.4 | 109.9 | W1467 D1471 A1500 Y1501 V1542 | W1467-R1520 PolarHBondContact O-NH1 3.4Å; D1471-R1520 IonicContact OD1-CZ 3.81Å; D1471-R1520 IonicContact OD1-NH1 2.62Å; D1471-R1520 PolarHBondContact OD1-NH1 3.04Å; D1471-R1520 IonicContact OD2-CZ 3.96Å; D1471-R1520 VanDerWaalsContact OD2-CZ 3.23Å; D1471-R1520 IonicContact OD2-NH1 3.97Å; D1471-R1520 PolarHBondContact OD2-NH1 3.35Å; D1471-R1520 IonicContact OD2-NH2 2.86Å; D1471-R1520 PolarHBondContact OD2-NH2 3.26Å; A1500-R1520 CarbonylContact C-O 3.26Å; A1500-R1520 WeakPolarHBondContact CA-O 3.25Å; A1500-R1520 WeakPolarHBondContact CB-O 3.41Å; Y1501-R1520 HydrophobicContact CE1-CB 4.46Å; Y1501-R1520 HydrophobicContact CE2-CB 4.27Å; Y1501-R1520 PolarHBondContact N-O 2.9Å; Y1501-R1520 PolarHBondContact O-N 3.14Å; Y1501-R1520 PolarHBondContact OH-NH1 3.29Å; R1520-V1542 HydrophobicContact CG-CG2 4.04Å |
| 1521 | S | 70.1 | Confident | 51.9 | Low | 20 Ų | 20 | 75.4 Ų | 75.4 | 14% | 0.14 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.8 | -170.2 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | C1540 T1541 | S1521-C1540 CarbonylContact O-C 3.55Å; S1521-C1540 VanDerWaalsContact O-CA 3.25Å; S1521-C1540 WeakPolarHBondContact O-CA 3.43Å; S1521-T1541 PolarHBondContact N-O 3.03Å; S1521-T1541 PolarHBondContact O-N 3.23Å; S1521-T1541 PolarHBondContact OG-O 2.87Å |
| 1522 | F | 66.6 | Low | 50.8 | Low | 33 Ų | 33 | 74.4 Ų | 74.4 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 107.4 | -178.8 | -57.7 | -89.8 | 0 | 0 | 0 | 108.9 | D1471 L1498 Q1499 Y1501 I1538 C1540 | D1471-F1522 HydrophobicContact CB-CE1 4.14Å; D1471-F1522 HydrophobicContact CB-CZ 3.91Å; D1471-F1522 VanDerWaalsContact CG-CZ 3.42Å; D1471-F1522 WeakPolarHBondContact OD1-CZ 3.36Å; L1498-F1522 HydrophobicContact CB-CE2 4.45Å; L1498-F1522 HydrophobicContact CD2-CE2 3.58Å; L1498-F1522 HydrophobicContact CD2-CZ 3.81Å; L1498-F1522 HydrophobicContact CG-CD2 4.21Å; L1498-F1522 HydrophobicContact CG-CE2 3.63Å; L1498-F1522 HydrophobicContact CG-CZ 4.34Å; L1498-F1522 WeakPolarHBondContact O-CD2 3.18Å; Q1499-F1522 WeakPolarHBondContact O-CD2 3.44Å; Q1499-F1522 PolarHBondContact O-N 3Å; Y1501-F1522 HydrophobicContact CD1-CE2 4.09Å; Y1501-F1522 AromaticContact CE1-CE2 3.96Å; Y1501-F1522 HydrophobicContact CE1-CE2 3.96Å; Y1501-F1522 AromaticContact CE1-CZ 3.97Å; Y1501-F1522 HydrophobicContact CE1-CZ 3.97Å; F1522-I1538 HydrophobicContact CB-CG2 4.21Å; F1522-I1538 HydrophobicContact CD1-CG2 4.22Å; F1522-C1540 WeakPolarHBondContact CD1-SG 3.41Å |
| 1523 | T | 48.9 | Very low | 49.5 | Very low | 57 Ų | 57 | 78.6 Ų | 78.6 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.4 | 177.9 | 74.5 | 0 | 0 | 0 | 0 | 110.5 | T1525 S1539 | T1523-T1525 PolarHBondContact O-N 3.49Å; T1523-S1539 WeakPolarHBondContact CB-O 3.42Å; T1523-S1539 PolarHBondContact N-O 3.19Å; T1523-S1539 WeakPolarHBondContact OG1-CB 3.32Å; T1523-S1539 PolarHBondContact OG1-O 3.45Å |
| 1524 | T | 36.3 | Very low | 47.7 | Very low | 87 Ų | 87 | 80.9 Ų | 80.9 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | trans | -76.6 | 110.1 | 168.8 | 50 | 0 | 0 | 0 | 0 | 108.7 | T1526 | T1524-T1526 PolarHBondContact O-N 3.29Å; T1524-T1526 PolarHBondContact O-OG1 2.82Å | ||
| 1525 | T | 28 | Very low | 45.7 | Very low | 106 Ų | 106 | 86.2 Ų | 86.2 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | trans | -51.8 | 98.4 | -178.6 | 47.3 | 0 | 0 | 0 | 0 | 112 | T1523 | T1523-T1525 PolarHBondContact O-N 3.49Š| ||
| 1526 | T | 25.3 | Very low | 43.5 | Very low | 116 Ų | 116 | 87.6 Ų | 87.6 | 71% | 0.712 | 54% | 0.538 | S | S | * | . | trans | -129.1 | 30.7 | 177.3 | 39.3 | 0 | 0 | 0 | 0 | 110.6 | T1524 S1528 | T1524-T1526 PolarHBondContact O-N 3.29Å; T1524-T1526 PolarHBondContact O-OG1 2.82Å; T1526-S1528 PolarHBondContact O-N 3.32Å | ||
| 1527 | L | 26.1 | Very low | 41.4 | Very low | 160 Ų | 160 | 94 Ų | 94 | 84% | 0.838 | 57% | 0.568 | S | S | * | * | trans | -74.2 | 118.7 | 162.4 | -86.6 | 165.1 | 0 | 0 | 0 | 109.1 | S1529 | L1527-S1529 VanDerWaalsContact C-N 3.3Å; L1527-S1529 PolarHBondContact O-N 2.9Å | ||
| 1528 | S | 23.6 | Very low | 39.7 | Very low | 127 Ų | 127 | 98 Ų | 98 | 89% | 0.888 | 59% | 0.586 | S | S | * | * | trans | -77.5 | 76.3 | 176.4 | 52.9 | 0 | 0 | 0 | 0 | 111 | T1526 | T1526-S1528 PolarHBondContact O-N 3.32Š| ||
| 1529 | S | 25 | Very low | 37.5 | Very low | 101 Ų | 101 | 100.9 Ų | 100.9 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | -134 | 125.7 | 172.2 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | L1527 | L1527-S1529 VanDerWaalsContact C-N 3.3Å; L1527-S1529 PolarHBondContact O-N 2.9Å | ||
| 1530 | S | 24.4 | Very low | 36.1 | Very low | 110 Ų | 110 | 102.1 Ų | 102.1 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | trans | -98.7 | 101.6 | -170.6 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1531 | S | 25.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 104.5 Ų | 104.5 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | trans | -175.6 | 148.2 | 151.6 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1532 | A | 28.5 | Very low | 34.2 | Very low | 98 Ų | 98 | 103.6 Ų | 103.6 | 81% | 0.81 | 62% | 0.623 | S | S | * | * | trans | 68.4 | 141.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1533 | E | 24.5 | Very low | 33.5 | Very low | 209 Ų | 209 | 106.2 Ų | 106.2 | 98% | 0.977 | 64% | 0.638 | S | S | * | * | trans | -92.6 | 114.5 | 176 | -64.9 | 161.4 | 125 | 0 | 0 | 109.4 | ||||
| 1534 | S | 25.2 | Very low | 33.3 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | trans | -139.5 | 153.9 | 164.6 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1535 | Q | 27.3 | Very low | 33.6 | Very low | 188 Ų | 188 | 102.5 Ų | 102.5 | 88% | 0.879 | 61% | 0.614 | S | S | * | * | trans | -59 | 145.1 | -165.7 | -68.4 | 166.5 | -16.7 | 0 | 0 | 113.2 | Q1537 | Q1535-Q1537 PolarHBondContact O-N 2.67Š| ||
| 1536 | S | 26.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 87% | 0.867 | 62% | 0.615 | S | S | * | * | trans | -74.4 | 78.1 | -174.6 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1537 | Q | 30.4 | Very low | 35.2 | Very low | 162 Ų | 162 | 102.2 Ų | 102.2 | 76% | 0.757 | 61% | 0.608 | S | S | * | * | trans | -76.2 | 126.6 | 161 | -76.1 | -173.7 | -65.6 | 0 | 0 | 109.8 | Q1535 S1539 | Q1535-Q1537 PolarHBondContact O-N 2.67Å; Q1537-S1539 PolarHBondContact O-N 3.09Å | ||
| 1538 | I | 40.6 | Very low | 36 | Very low | 118 Ų | 118 | 96.3 Ų | 96.3 | 61% | 0.605 | 57% | 0.574 | S | S | * | * | trans | -68.9 | 119.9 | 170.6 | -61.7 | 170.5 | 0 | 0 | 0 | 107.3 | F1522 C1540 | F1522-I1538 HydrophobicContact CB-CG2 4.21Å; F1522-I1538 HydrophobicContact CD1-CG2 4.22Å; I1538-C1540 PolarHBondContact O-N 3.04Å | ||
| 1539 | S | 31.4 | Very low | 37 | Very low | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 97.4 | -177.8 | -50.1 | 0 | 0 | 0 | 0 | 109.8 | T1523 Q1537 | T1523-S1539 WeakPolarHBondContact CB-O 3.42Å; T1523-S1539 PolarHBondContact N-O 3.19Å; T1523-S1539 WeakPolarHBondContact OG1-CB 3.32Å; T1523-S1539 PolarHBondContact OG1-O 3.45Å; Q1537-S1539 PolarHBondContact O-N 3.09Å |
| 1540 | C | 47 | Very low | 38.2 | Very low | 35 Ų | 35 | 93.1 Ų | 93.1 | 24% | 0.236 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.3 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | S1521 F1522 I1538 | S1521-C1540 CarbonylContact O-C 3.55Å; S1521-C1540 VanDerWaalsContact O-CA 3.25Å; S1521-C1540 WeakPolarHBondContact O-CA 3.43Å; F1522-C1540 WeakPolarHBondContact CD1-SG 3.41Å; I1538-C1540 PolarHBondContact O-N 3.04Å |
| 1541 | T | 51.6 | Low | 39.1 | Very low | 57 Ų | 57 | 96 Ų | 96 | 35% | 0.35 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.4 | 175.3 | -52.4 | 0 | 0 | 0 | 0 | 109.3 | S1521 | S1521-T1541 PolarHBondContact N-O 3.03Å; S1521-T1541 PolarHBondContact O-N 3.23Å; S1521-T1541 PolarHBondContact OG-O 2.87Å |
| 1542 | V | 55.4 | Low | 40.3 | Very low | 1 Ų | 1 | 94.9 Ų | 94.9 | 1% | 0.006 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115 | -179.9 | -164.7 | 0 | 0 | 0 | 0 | 108.2 | I1518 V1519 R1520 L1544 I1553 | I1518-V1542 HydrophobicContact CG2-CG1 3.55Å; V1519-V1542 CarbonylContact O-C 3.54Å; V1519-V1542 WeakPolarHBondContact O-CA 3.27Å; R1520-V1542 HydrophobicContact CG-CG2 4.04Å; V1542-L1544 HydrophobicContact CB-CD2 4.48Å; V1542-L1544 HydrophobicContact CG1-CD2 3.6Å; V1542-L1544 HydrophobicContact CG1-CG 4.15Å; V1542-I1553 HydrophobicContact CG1-CG2 4.45Å |
| 1543 | L | 52.2 | Low | 41.5 | Very low | 88 Ų | 88 | 90.3 Ų | 90.3 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.1 | 172.9 | -76.5 | 167.3 | 0 | 0 | 0 | 109.2 | V1519 | V1519-L1543 HydrophobicContact CB-CB 4.27Å; V1519-L1543 PolarHBondContact N-O 2.76Å; V1519-L1543 VanDerWaalsContact N-O 3.11Å; V1519-L1543 PolarHBondContact O-N 2.81Å |
| 1544 | L | 43.9 | Very low | 43 | Very low | 37 Ų | 37 | 84.6 Ų | 84.6 | 19% | 0.194 | 46% | 0.464 | C | S | . | . | trans | -121 | 148.4 | -162.3 | -65.7 | 174.9 | 0 | 0 | 0 | 112.3 | I1518 V1542 I1553 | I1518-L1544 HydrophobicContact CD1-CD2 4.12Å; I1518-L1544 HydrophobicContact CG1-CD2 3.97Å; I1518-L1544 HydrophobicContact CG2-CD2 4.36Å; V1542-L1544 HydrophobicContact CB-CD2 4.48Å; V1542-L1544 HydrophobicContact CG1-CD2 3.6Å; V1542-L1544 HydrophobicContact CG1-CG 4.15Å; L1544-I1553 HydrophobicContact CD1-CD1 4.05Å; L1544-I1553 HydrophobicContact CD2-CD1 3.41Å; L1544-I1553 VanDerWaalsContact CD2-CD1 3.41Å; L1544-I1553 HydrophobicContact CG-CD1 4.35Å | ||
| 1545 | P | 43.9 | Very low | 44.4 | Very low | 29 Ų | 29 | 83.8 Ų | 83.8 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | trans | -59.2 | 150.8 | 161 | -20.8 | 34.1 | 0 | 0 | 0 | 110.6 | S1517 P1547 Y1548 | S1517-P1545 VanDerWaalsContact O-CD 3.24Å; S1517-P1545 WeakPolarHBondContact O-CD 3.42Å; S1517-P1545 WeakPolarHBondContact O-CG 3.41Å; P1545-P1547 WeakPolarHBondContact O-CD 3.49Å; P1545-Y1548 PolarHBondContact O-N 2.82Å | ||
| 1546 | I | 41.5 | Very low | 46.2 | Very low | 129 Ų | 129 | 77.8 Ų | 77.8 | 66% | 0.662 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -26.7 | -163 | -63.3 | 166.9 | 0 | 0 | 0 | 117.5 | ||
| 1547 | P | 45 | Very low | 48.5 | Very low | 86 Ų | 86 | 73 Ų | 73 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.9 | 179.7 | 33.3 | -36.9 | 0 | 0 | 0 | 117.2 | P1545 | P1545-P1547 WeakPolarHBondContact O-CD 3.49Š|
| 1548 | Y | 42 | Very low | 50.8 | Low | 36 Ų | 36 | 65.3 Ų | 65.3 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | trans | -115.7 | 145.6 | -179.5 | -67.2 | -89.5 | 0 | 0 | 0 | 112.9 | P1545 I1553 D1564 M1565 | P1545-Y1548 PolarHBondContact O-N 2.82Å; Y1548-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1548-I1553 HydrophobicContact CD1-CG1 4.21Å; Y1548-I1553 HydrophobicContact CD2-CD1 4.38Å; Y1548-I1553 HydrophobicContact CG-CD1 3.73Å; Y1548-D1564 WeakPolarHBondContact OH-CB 3.44Å; Y1548-D1564 PolarHBondContact OH-OD2 3.08Å; Y1548-M1565 HydrophobicContact CE2-CE 3.82Å | ||
| 1549 | T | 45.9 | Very low | 52.8 | Low | 80 Ų | 80 | 59.9 Ų | 59.9 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | trans | -105.5 | 148 | 173.1 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | E1551 Q1552 | T1549-E1551 PolarHBondContact O-N 3.31Å; T1549-E1551 VanDerWaalsContact O-N 3.12Å; T1549-Q1552 PolarHBondContact O-N 3.45Å | ||
| 1550 | D | 49.1 | Very low | 55.1 | Low | 82 Ų | 82 | 59.6 Ų | 59.6 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -50.4 | -38.6 | -175.8 | -65.2 | 32.1 | 0 | 0 | 0 | 114 | Q1552 N1554 | D1550-Q1552 VanDerWaalsContact C-N 3.33Å; D1550-Q1552 PolarHBondContact O-N 3.47Å; D1550-N1554 PolarHBondContact O-N 3.43Å; D1550-N1554 PolarHBondContact O-ND2 3.07Å |
| 1551 | E | 44.8 | Very low | 56.8 | Low | 170 Ų | 170 | 58 Ų | 58 | 79% | 0.794 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.3 | -32.4 | 179.7 | -63.6 | -170.7 | 143.9 | 0 | 0 | 113 | T1549 | T1549-E1551 PolarHBondContact O-N 3.31Å; T1549-E1551 VanDerWaalsContact O-N 3.12Å |
| 1552 | Q | 49.8 | Very low | 58.2 | Low | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.5 | -46.6 | -178.2 | -70.4 | -173.3 | 3.1 | 0 | 0 | 111.6 | T1549 D1550 S1555 Q1556 | T1549-Q1552 PolarHBondContact O-N 3.45Å; D1550-Q1552 VanDerWaalsContact C-N 3.33Å; D1550-Q1552 PolarHBondContact O-N 3.47Å; Q1552-S1555 WeakPolarHBondContact O-CB 3.1Å; Q1552-S1555 PolarHBondContact O-N 2.88Å; Q1552-S1555 VanDerWaalsContact O-N 3.09Å; Q1552-S1555 PolarHBondContact O-OG 3.23Å; Q1552-Q1556 WeakPolarHBondContact O-CG 3.35Å; Q1552-Q1556 PolarHBondContact O-N 3.3Å |
| 1553 | I | 54.1 | Low | 59.5 | Low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.9 | -30.5 | -170.8 | -80.5 | 168.9 | 0 | 0 | 0 | 112.7 | W1467 I1518 V1542 L1544 Y1548 S1555 Q1556 | W1467-I1553 VanDerWaalsContact CD1-O 3.26Å; W1467-I1553 HydrophobicContact CZ2-CG2 3.78Å; W1467-I1553 PolarHBondContact NE1-O 2.93Å; I1518-I1553 HydrophobicContact CD1-CD1 3.97Å; I1518-I1553 HydrophobicContact CD1-CG2 4.47Å; V1542-I1553 HydrophobicContact CG1-CG2 4.45Å; L1544-I1553 HydrophobicContact CD1-CD1 4.05Å; L1544-I1553 HydrophobicContact CD2-CD1 3.41Å; L1544-I1553 VanDerWaalsContact CD2-CD1 3.41Å; L1544-I1553 HydrophobicContact CG-CD1 4.35Å; Y1548-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1548-I1553 HydrophobicContact CD1-CG1 4.21Å; Y1548-I1553 HydrophobicContact CD2-CD1 4.38Å; Y1548-I1553 HydrophobicContact CG-CD1 3.73Å; I1553-S1555 PolarHBondContact O-N 2.68Å; I1553-Q1556 PolarHBondContact O-N 2.63Å |
| 1554 | N | 54.8 | Low | 60.9 | Low | 90 Ų | 90 | 56.6 Ų | 56.6 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17 | 168.4 | -76.4 | -35.2 | 0 | 0 | 0 | 113.1 | D1550 | D1550-N1554 PolarHBondContact O-N 3.43Å; D1550-N1554 PolarHBondContact O-ND2 3.07Å |
| 1555 | S | 54.9 | Low | 62.6 | Low | 95 Ų | 95 | 54.8 Ų | 54.8 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -8.1 | 177 | 81.6 | 0 | 0 | 0 | 0 | 114.9 | Q1552 I1553 | Q1552-S1555 WeakPolarHBondContact O-CB 3.1Å; Q1552-S1555 PolarHBondContact O-N 2.88Å; Q1552-S1555 VanDerWaalsContact O-N 3.09Å; Q1552-S1555 PolarHBondContact O-OG 3.23Å; I1553-S1555 PolarHBondContact O-N 2.68Å |
| 1556 | Q | 66 | Low | 64.3 | Low | 62 Ų | 62 | 54.9 Ų | 54.9 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -117.8 | 149.9 | -173.3 | -65.8 | 179.8 | 12.2 | 0 | 0 | 111.4 | W1467 Q1552 I1553 V1560 | W1467-Q1556 PolarHBondContact NE1-O 3.09Å; Q1552-Q1556 WeakPolarHBondContact O-CG 3.35Å; Q1552-Q1556 PolarHBondContact O-N 3.3Å; I1553-Q1556 PolarHBondContact O-N 2.63Å; Q1556-V1560 HydrophobicContact CB-CB 4.31Å; Q1556-V1560 HydrophobicContact CB-CG1 4.44Å |
| 1557 | S | 74.7 | Confident | 66.2 | Low | 23 Ų | 23 | 54.3 Ų | 54.3 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | trans | -71.1 | 151.2 | 174.9 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | D1463 M1465 I1559 V1560 | D1463-S1557 WeakPolarHBondContact O-CB 3.5Å; D1463-S1557 PolarHBondContact O-OG 3.04Å; M1465-S1557 WeakPolarHBondContact O-CA 3.27Å; M1465-S1557 WeakPolarHBondContact O-CB 3.22Å; S1557-I1559 PolarHBondContact O-N 2.77Å; S1557-I1559 VanDerWaalsContact O-N 3.07Å; S1557-V1560 WeakPolarHBondContact O-CB 3.43Å; S1557-V1560 PolarHBondContact O-N 3.16Å; S1557-V1560 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 1558 | P | 79.1 | Confident | 67.7 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.1 | -30.5 | 179 | -23.6 | 31.6 | 0 | 0 | 0 | 113.4 | M1465 W1467 L1470 V1560 W1561 I1562 | M1465-P1558 WeakPolarHBondContact O-CD 3.47Å; W1467-P1558 HydrophobicContact CD2-CB 4.32Å; W1467-P1558 HydrophobicContact CD2-CG 3.7Å; W1467-P1558 HydrophobicContact CE3-CB 4.33Å; W1467-P1558 HydrophobicContact CE3-CG 3.91Å; W1467-P1558 HydrophobicContact CG-CG 4.09Å; W1467-P1558 HydrophobicContact CH2-CB 4.06Å; W1467-P1558 HydrophobicContact CH2-CG 4.47Å; W1467-P1558 HydrophobicContact CZ2-CB 4.02Å; W1467-P1558 HydrophobicContact CZ2-CG 4.29Å; W1467-P1558 HydrophobicContact CZ3-CB 4.21Å; W1467-P1558 HydrophobicContact CZ3-CG 4.29Å; L1470-P1558 HydrophobicContact CD2-CB 4.47Å; L1470-P1558 HydrophobicContact CD2-CG 4.22Å; P1558-V1560 VanDerWaalsContact C-N 3.33Å; P1558-V1560 PolarHBondContact O-N 2.87Å; P1558-W1561 PolarHBondContact O-N 3.36Å; P1558-I1562 WeakPolarHBondContact O-CG1 3.47Å; P1558-I1562 PolarHBondContact O-N 3.34Å |
| 1559 | I | 80.8 | Confident | 69.2 | Low | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.8 | -28.7 | 177.6 | -115 | 166.5 | 0 | 0 | 0 | 112.9 | C1407 Q1408 L1461 S1557 I1562 N1563 | C1407-I1559 HydrophobicContact CB-CD1 3.78Å; Q1408-I1559 HydrophobicContact CB-CD1 4.45Å; Q1408-I1559 HydrophobicContact CG-CD1 4.5Å; L1461-I1559 HydrophobicContact CB-CD1 3.67Å; L1461-I1559 HydrophobicContact CB-CG1 4.03Å; L1461-I1559 HydrophobicContact CD1-CG1 4.28Å; S1557-I1559 PolarHBondContact O-N 2.77Å; S1557-I1559 VanDerWaalsContact O-N 3.07Å; I1559-I1562 PolarHBondContact O-N 3.12Å; I1559-N1563 VanDerWaalsContact O-CB 3.31Å; I1559-N1563 WeakPolarHBondContact O-CB 3.18Å; I1559-N1563 VanDerWaalsContact O-CG 3.24Å; I1559-N1563 PolarHBondContact O-N 2.85Å; I1559-N1563 PolarHBondContact O-ND2 2.77Å |
| 1560 | V | 80.4 | Confident | 70.3 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 110 | Q1556 S1557 P1558 I1562 N1563 D1564 | Q1556-V1560 HydrophobicContact CB-CB 4.31Å; Q1556-V1560 HydrophobicContact CB-CG1 4.44Å; S1557-V1560 WeakPolarHBondContact O-CB 3.43Å; S1557-V1560 PolarHBondContact O-N 3.16Å; S1557-V1560 WeakPolarHBondContact OG-CG2 3.48Å; P1558-V1560 VanDerWaalsContact C-N 3.33Å; P1558-V1560 PolarHBondContact O-N 2.87Å; V1560-I1562 VanDerWaalsContact C-N 3.34Å; V1560-I1562 PolarHBondContact O-N 2.86Å; V1560-N1563 PolarHBondContact O-N 3.43Å; V1560-D1564 WeakPolarHBondContact O-CB 3.26Å; V1560-D1564 PolarHBondContact O-N 2.86Å |
| 1561 | W | 83.1 | Confident | 71.1 | Confident | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.7 | 178.5 | 78.8 | 0 | 0 | 0 | 112.7 | L1503 F1505 Q1516 I1518 P1558 D1564 M1565 | L1503-W1561 HydrophobicContact CD2-CE3 3.86Å; L1503-W1561 HydrophobicContact CD2-CZ3 3.78Å; L1503-W1561 HydrophobicContact CG-CZ3 3.96Å; F1505-W1561 HydrophobicContact CB-CH2 3.92Å; F1505-W1561 HydrophobicContact CB-CZ3 4.15Å; Q1516-W1561 HydrophobicContact CB-CH2 4.39Å; Q1516-W1561 HydrophobicContact CB-CZ2 4.26Å; I1518-W1561 HydrophobicContact CD1-CB 4.31Å; I1518-W1561 HydrophobicContact CD1-CD2 3.44Å; I1518-W1561 VanDerWaalsContact CD1-CD2 3.44Å; I1518-W1561 HydrophobicContact CD1-CE3 4.04Å; I1518-W1561 HydrophobicContact CD1-CG 3.53Å; I1518-W1561 HydrophobicContact CD1-CZ2 4.2Å; I1518-W1561 HydrophobicContact CG1-CD2 4.08Å; I1518-W1561 HydrophobicContact CG1-CH2 4.38Å; I1518-W1561 HydrophobicContact CG1-CZ2 3.87Å; P1558-W1561 PolarHBondContact O-N 3.36Å; W1561-D1564 WeakPolarHBondContact O-CB 3.31Å; W1561-D1564 PolarHBondContact O-N 3.06Å; W1561-M1565 HydrophobicContact CD2-CG 4.34Å; W1561-M1565 HydrophobicContact CH2-CG 4.4Å; W1561-M1565 HydrophobicContact CZ2-CE 4.09Å; W1561-M1565 HydrophobicContact CZ2-CG 3.95Å; W1561-M1565 VanDerWaalsContact NE1-CE 3.32Å; W1561-M1565 WeakPolarHBondContact O-CG 3.31Å; W1561-M1565 PolarHBondContact O-N 2.89Å |
| 1562 | I | 81.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 177.8 | -59.3 | 166.1 | 0 | 0 | 0 | 110.7 | L1461 L1503 F1505 P1558 I1559 V1560 M1565 I1566 L1576 | L1461-I1562 HydrophobicContact CD1-CD1 3.29Å; L1503-I1562 HydrophobicContact CD2-CD1 4.43Å; L1503-I1562 HydrophobicContact CD2-CG1 4.48Å; F1505-I1562 HydrophobicContact CD2-CG2 4.25Å; P1558-I1562 WeakPolarHBondContact O-CG1 3.47Å; P1558-I1562 PolarHBondContact O-N 3.34Å; I1559-I1562 PolarHBondContact O-N 3.12Å; V1560-I1562 VanDerWaalsContact C-N 3.34Å; V1560-I1562 PolarHBondContact O-N 2.86Å; I1562-M1565 PolarHBondContact O-N 3.44Å; I1562-M1565 VanDerWaalsContact O-N 3.14Å; I1562-I1566 HydrophobicContact CG2-CD1 3.87Å; I1562-I1566 HydrophobicContact CG2-CG1 4.33Å; I1562-I1566 VanDerWaalsContact O-CG1 3.31Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.47Å; I1562-I1566 PolarHBondContact O-N 2.76Å; I1562-L1576 HydrophobicContact CD1-CD1 4.18Å; I1562-L1576 HydrophobicContact CD1-CD2 4Å; I1562-L1576 HydrophobicContact CG1-CD2 4.11Å; I1562-L1576 HydrophobicContact CG2-CD1 4.1Å; I1562-L1576 HydrophobicContact CG2-CD2 3.87Å |
| 1563 | N | 82.7 | Confident | 72.7 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 176 | -73 | -19.4 | 0 | 0 | 0 | 111.8 | Q1408 I1559 V1560 M1565 I1566 N1567 | Q1408-N1563 PolarHBondContact NE2-OD1 3.2Å; I1559-N1563 VanDerWaalsContact O-CB 3.31Å; I1559-N1563 WeakPolarHBondContact O-CB 3.18Å; I1559-N1563 VanDerWaalsContact O-CG 3.24Å; I1559-N1563 PolarHBondContact O-N 2.85Å; I1559-N1563 PolarHBondContact O-ND2 2.77Å; V1560-N1563 PolarHBondContact O-N 3.43Å; N1563-M1565 VanDerWaalsContact C-N 3.31Å; N1563-M1565 PolarHBondContact O-N 2.83Å; N1563-I1566 PolarHBondContact O-N 3.06Å; N1563-N1567 VanDerWaalsContact O-CB 3.31Å; N1563-N1567 WeakPolarHBondContact O-CB 3.41Å; N1563-N1567 PolarHBondContact O-N 3.28Å; N1563-N1567 PolarHBondContact O-ND2 3.39Å |
| 1564 | D | 80.8 | Confident | 73.9 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 169.8 | -87 | 5.1 | 0 | 0 | 0 | 111.2 | Y1548 V1560 W1561 N1567 K1568 | Y1548-D1564 WeakPolarHBondContact OH-CB 3.44Å; Y1548-D1564 PolarHBondContact OH-OD2 3.08Å; V1560-D1564 WeakPolarHBondContact O-CB 3.26Å; V1560-D1564 PolarHBondContact O-N 2.86Å; W1561-D1564 WeakPolarHBondContact O-CB 3.31Å; W1561-D1564 PolarHBondContact O-N 3.06Å; D1564-N1567 PolarHBondContact O-N 3.26Å; D1564-K1568 WeakPolarHBondContact O-CB 3.41Å; D1564-K1568 PolarHBondContact O-N 3.37Å |
| 1565 | M | 79.4 | Confident | 75 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.4 | -40.1 | 177.3 | -68.2 | -58 | 158.8 | 0 | 0 | 113 | F1505 Q1516 Y1548 W1561 I1562 N1563 N1567 K1568 Y1569 | F1505-M1565 HydrophobicContact CD1-CB 4.08Å; F1505-M1565 HydrophobicContact CD2-CB 4.22Å; F1505-M1565 HydrophobicContact CE1-CB 4.16Å; F1505-M1565 HydrophobicContact CE2-CB 4.31Å; F1505-M1565 HydrophobicContact CG-CB 4.11Å; F1505-M1565 HydrophobicContact CZ-CB 4.28Å; Q1516-M1565 HydrophobicContact CB-SD 4.42Å; Q1516-M1565 HydrophobicContact CG-SD 3.94Å; Y1548-M1565 HydrophobicContact CE2-CE 3.82Å; W1561-M1565 HydrophobicContact CD2-CG 4.34Å; W1561-M1565 HydrophobicContact CH2-CG 4.4Å; W1561-M1565 HydrophobicContact CZ2-CE 4.09Å; W1561-M1565 HydrophobicContact CZ2-CG 3.95Å; W1561-M1565 VanDerWaalsContact NE1-CE 3.32Å; W1561-M1565 WeakPolarHBondContact O-CG 3.31Å; W1561-M1565 PolarHBondContact O-N 2.89Å; I1562-M1565 PolarHBondContact O-N 3.44Å; I1562-M1565 VanDerWaalsContact O-N 3.14Å; N1563-M1565 VanDerWaalsContact C-N 3.31Å; N1563-M1565 PolarHBondContact O-N 2.83Å; M1565-N1567 VanDerWaalsContact C-N 3.33Å; M1565-N1567 PolarHBondContact O-N 3.48Å; M1565-K1568 PolarHBondContact O-N 3Å; M1565-K1568 HydrophobicContact SD-CD 4.13Å; M1565-Y1569 WeakPolarHBondContact O-CD2 3.31Å; M1565-Y1569 PolarHBondContact O-N 3.27Å; M1565-Y1569 HydrophobicContact SD-CD2 4.42Å; M1565-Y1569 HydrophobicContact SD-CE2 4.03Å |
| 1566 | I | 79.9 | Confident | 76.3 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 173.7 | -67 | 164 | 0 | 0 | 0 | 110.3 | F1505 I1562 N1563 N1570 A1571 Y1574 | F1505-I1566 HydrophobicContact CE2-CG1 3.74Å; F1505-I1566 HydrophobicContact CZ-CG1 4.2Å; I1562-I1566 HydrophobicContact CG2-CD1 3.87Å; I1562-I1566 HydrophobicContact CG2-CG1 4.33Å; I1562-I1566 VanDerWaalsContact O-CG1 3.31Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.47Å; I1562-I1566 PolarHBondContact O-N 2.76Å; N1563-I1566 PolarHBondContact O-N 3.06Å; I1566-N1570 CarbonylContact O-C 3.56Å; I1566-N1570 VanDerWaalsContact O-CA 3.25Å; I1566-N1570 WeakPolarHBondContact O-CA 3.29Å; I1566-N1570 PolarHBondContact O-N 3.31Å; I1566-A1571 PolarHBondContact O-N 2.96Å; I1566-Y1574 HydrophobicContact CD1-CD1 4.49Å; I1566-Y1574 HydrophobicContact CD1-CE1 3.7Å; I1566-Y1574 HydrophobicContact CD1-CE2 4.11Å; I1566-Y1574 VanDerWaalsContact CD1-CZ 3.48Å; I1566-Y1574 WeakPolarHBondContact CD1-OH 3.33Å; I1566-Y1574 HydrophobicContact CG1-CD1 4.1Å; I1566-Y1574 HydrophobicContact CG1-CE1 3.76Å; I1566-Y1574 HydrophobicContact CG1-CE2 4.48Å |
| 1567 | N | 80.3 | Confident | 77.1 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.9 | -46.7 | 178.1 | -69.7 | -31.6 | 0 | 0 | 0 | 111.9 | N1563 D1564 M1565 Y1569 N1570 | N1563-N1567 VanDerWaalsContact O-CB 3.31Å; N1563-N1567 WeakPolarHBondContact O-CB 3.41Å; N1563-N1567 PolarHBondContact O-N 3.28Å; N1563-N1567 PolarHBondContact O-ND2 3.39Å; D1564-N1567 PolarHBondContact O-N 3.26Å; M1565-N1567 VanDerWaalsContact C-N 3.33Å; M1565-N1567 PolarHBondContact O-N 3.48Å; N1567-Y1569 VanDerWaalsContact C-N 3.3Å; N1567-Y1569 PolarHBondContact O-N 3.34Å; N1567-N1570 PolarHBondContact O-N 3.01Å |
| 1568 | K | 78.4 | Confident | 77.6 | Confident | 114 Ų | 114 | 53.7 Ų | 53.7 | 50% | 0.496 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -33.8 | -178.2 | -179.9 | 174.9 | -179.4 | 175.5 | 0 | 113.3 | D1564 M1565 | D1564-K1568 WeakPolarHBondContact O-CB 3.41Å; D1564-K1568 PolarHBondContact O-N 3.37Å; M1565-K1568 PolarHBondContact O-N 3Å; M1565-K1568 HydrophobicContact SD-CD 4.13Å |
| 1569 | Y | 72.4 | Confident | 77.8 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 27% | 0.271 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 4.4 | 178.1 | -70 | -78.4 | 0 | 0 | 0 | 113.7 | L1507 Q1516 M1565 N1567 A1571 | L1507-Y1569 HydrophobicContact CD2-CD1 3.85Å; L1507-Y1569 HydrophobicContact CD2-CG 3.93Å; Q1516-Y1569 HydrophobicContact CG-CE2 3.96Å; Q1516-Y1569 PolarHBondContact NE2-OH 2.96Å; M1565-Y1569 WeakPolarHBondContact O-CD2 3.31Å; M1565-Y1569 PolarHBondContact O-N 3.27Å; M1565-Y1569 HydrophobicContact SD-CD2 4.42Å; M1565-Y1569 HydrophobicContact SD-CE2 4.03Å; N1567-Y1569 VanDerWaalsContact C-N 3.3Å; N1567-Y1569 PolarHBondContact O-N 3.34Å; Y1569-A1571 PolarHBondContact O-N 3.18Å; Y1569-A1571 VanDerWaalsContact O-N 3.14Å |
| 1570 | N | 69.6 | Low | 77.9 | Confident | 146 Ų | 146 | 55.9 Ų | 55.9 | 78% | 0.781 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 38.3 | -177 | -131.2 | -21 | 0 | 0 | 0 | 113.1 | I1566 N1567 K1572 | I1566-N1570 CarbonylContact O-C 3.56Å; I1566-N1570 VanDerWaalsContact O-CA 3.25Å; I1566-N1570 WeakPolarHBondContact O-CA 3.29Å; I1566-N1570 PolarHBondContact O-N 3.31Å; N1567-N1570 PolarHBondContact O-N 3.01Å; N1570-K1572 PolarHBondContact O-N 2.7Å |
| 1571 | A | 65 | Low | 77.7 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | trans | -78.8 | 106.6 | -155.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1505 L1507 I1566 Y1569 Y1574 | F1505-A1571 HydrophobicContact CZ-CB 3.86Å; L1507-A1571 HydrophobicContact CD1-CB 3.41Å; L1507-A1571 VanDerWaalsContact CD1-CB 3.41Å; I1566-A1571 PolarHBondContact O-N 2.96Å; Y1569-A1571 PolarHBondContact O-N 3.18Å; Y1569-A1571 VanDerWaalsContact O-N 3.14Å; A1571-Y1574 HydrophobicContact CB-CD1 4.16Å | ||
| 1572 | K | 62.7 | Low | 77.3 | Confident | 185 Ų | 185 | 54 Ų | 54 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -82.6 | -22.5 | 174.7 | -68.6 | -174.2 | 179.1 | 178.8 | 0 | 114.7 | N1570 | N1570-K1572 PolarHBondContact O-N 2.7Š|
| 1573 | H | 66.2 | Low | 76.6 | Confident | 115 Ų | 115 | 55.9 Ų | 55.9 | 53% | 0.532 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -137.1 | 109 | 178.7 | -66.1 | -58.2 | 0 | 0 | 0 | 109.3 | R876 | R876-H1573 PolarHBondContact NE-NE2 3.48Å; R876-H1573 PolarHBondContact NH1-NE2 3.36Å; R876-H1573 PolarHBondContact NH2-NE2 2.59Å |
| 1574 | Y | 79 | Confident | 75.6 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.3 | 179.1 | 61.1 | -92.1 | 0 | 0 | 0 | 110 | F1505 T1506 I1566 A1571 L1576 | F1505-Y1574 HydrophobicContact CD2-CD2 4.13Å; F1505-Y1574 HydrophobicContact CD2-CG 4.38Å; F1505-Y1574 HydrophobicContact CE2-CD1 4.16Å; F1505-Y1574 AromaticContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CE2 4.36Å; F1505-Y1574 AromaticContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CZ-CD1 4.39Å; F1505-Y1574 HydrophobicContact CZ-CD2 4.45Å; F1505-Y1574 AromaticContact CZ-CG 3.91Å; F1505-Y1574 HydrophobicContact CZ-CG 3.91Å; T1506-Y1574 CarbonylContact O-C 3.43Å; T1506-Y1574 VanDerWaalsContact O-CA 3.28Å; T1506-Y1574 WeakPolarHBondContact O-CA 3.43Å; I1566-Y1574 HydrophobicContact CD1-CD1 4.49Å; I1566-Y1574 HydrophobicContact CD1-CE1 3.7Å; I1566-Y1574 HydrophobicContact CD1-CE2 4.11Å; I1566-Y1574 VanDerWaalsContact CD1-CZ 3.48Å; I1566-Y1574 WeakPolarHBondContact CD1-OH 3.33Å; I1566-Y1574 HydrophobicContact CG1-CD1 4.1Å; I1566-Y1574 HydrophobicContact CG1-CE1 3.76Å; I1566-Y1574 HydrophobicContact CG1-CE2 4.48Å; A1571-Y1574 HydrophobicContact CB-CD1 4.16Å; Y1574-L1576 HydrophobicContact CD2-CD1 4.42Å; Y1574-L1576 HydrophobicContact CD2-CG 4.09Å; Y1574-L1576 HydrophobicContact CE2-CD1 3.91Å; Y1574-L1576 HydrophobicContact CE2-CG 4.09Å |
| 1575 | T | 76.9 | Confident | 74.3 | Confident | 50 Ų | 50 | 51 Ų | 51 | 31% | 0.307 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130 | 175 | 27.1 | 0 | 0 | 0 | 0 | 110.7 | T1506 | T1506-T1575 PolarHBondContact N-O 2.81Å; T1506-T1575 PolarHBondContact O-N 2.95Å; T1506-T1575 PolarHBondContact OG1-O 3.47Å; T1506-T1575 PolarHBondContact OG1-OG1 3.06Å |
| 1576 | L | 82.7 | Confident | 72.7 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126 | 178.1 | -69.7 | 166.1 | 0 | 0 | 0 | 110 | V1410 Q1411 F1505 I1562 Y1574 | V1410-L1576 HydrophobicContact CB-CB 4.27Å; V1410-L1576 HydrophobicContact CG1-CB 4.02Å; V1410-L1576 HydrophobicContact CG2-CB 3.99Å; V1410-L1576 HydrophobicContact CG2-CD1 4.12Å; Q1411-L1576 PolarHBondContact N-O 2.9Å; Q1411-L1576 VanDerWaalsContact N-O 3.08Å; F1505-L1576 HydrophobicContact CB-CD2 4.34Å; F1505-L1576 HydrophobicContact CD2-CD2 3.91Å; I1562-L1576 HydrophobicContact CD1-CD1 4.18Å; I1562-L1576 HydrophobicContact CD1-CD2 4Å; I1562-L1576 HydrophobicContact CG1-CD2 4.11Å; I1562-L1576 HydrophobicContact CG2-CD1 4.1Å; I1562-L1576 HydrophobicContact CG2-CD2 3.87Å; Y1574-L1576 HydrophobicContact CD2-CD1 4.42Å; Y1574-L1576 HydrophobicContact CD2-CG 4.09Å; Y1574-L1576 HydrophobicContact CE2-CD1 3.91Å; Y1574-L1576 HydrophobicContact CE2-CG 4.09Å |
| 1577 | S | 84.1 | Confident | 70.6 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.4 | 174.1 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | Q1411 N1504 | Q1411-S1577 CarbonylContact O-C 3.56Å; Q1411-S1577 VanDerWaalsContact O-CA 3.29Å; Q1411-S1577 WeakPolarHBondContact O-CA 3.38Å; N1504-S1577 PolarHBondContact N-O 2.94Å; N1504-S1577 PolarHBondContact O-N 3.44Å |
| 1578 | I | 85.3 | Confident | 68.3 | Low | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.6 | 170.1 | -73.5 | 160.9 | 0 | 0 | 0 | 107.6 | V1410 Q1411 V1412 F1413 T1459 L1470 L1474 Y1501 Q1502 L1503 I1580 | V1410-I1578 HydrophobicContact CB-CD1 4.22Å; V1410-I1578 HydrophobicContact CG1-CB 4.3Å; V1410-I1578 HydrophobicContact CG1-CD1 3.58Å; V1410-I1578 HydrophobicContact CG1-CG1 3.59Å; Q1411-I1578 PolarHBondContact O-N 3.21Å; V1412-I1578 HydrophobicContact CG2-CB 4.49Å; F1413-I1578 PolarHBondContact N-O 2.8Å; T1459-I1578 HydrophobicContact CG2-CD1 4.18Å; L1470-I1578 HydrophobicContact CD1-CD1 4.32Å; L1474-I1578 HydrophobicContact CD1-CD1 4.45Å; L1474-I1578 HydrophobicContact CD1-CG2 4.28Å; L1474-I1578 HydrophobicContact CD2-CD1 4.18Å; L1474-I1578 HydrophobicContact CD2-CG2 4.31Å; Y1501-I1578 HydrophobicContact CD2-CG2 4.02Å; Y1501-I1578 HydrophobicContact CG-CG2 4.17Å; Q1502-I1578 CarbonylContact O-C 3.57Å; Q1502-I1578 WeakPolarHBondContact O-CA 3.41Å; L1503-I1578 HydrophobicContact CB-CG1 4.33Å; L1503-I1578 HydrophobicContact CD1-CD1 4.17Å; L1503-I1578 HydrophobicContact CD1-CG1 3.62Å; I1578-I1580 HydrophobicContact CG2-CG1 3.92Å |
| 1579 | Q | 82.9 | Confident | 65.8 | Low | 51 Ų | 51 | 54.6 Ų | 54.6 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.1 | 169.1 | -71.7 | 172.3 | -36 | 0 | 0 | 108.7 | F1413 Y1501 Q1502 N1504 | F1413-Q1579 CarbonylContact O-C 3.57Å; Y1501-Q1579 CarbonylContact C-O 2.75Å; Y1501-Q1579 WeakPolarHBondContact CA-O 3.4Å; Y1501-Q1579 WeakPolarHBondContact CB-O 3.49Å; Q1502-Q1579 HydrophobicContact CB-CB 4.42Å; Q1502-Q1579 PolarHBondContact N-O 2.95Å; Q1502-Q1579 PolarHBondContact O-N 3.26Å; N1504-Q1579 PolarHBondContact ND2-OE1 3.16Å |
| 1580 | I | 82.5 | Confident | 63.6 | Low | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 135.5 | 179.7 | -67 | -175.6 | 0 | 0 | 0 | 110.4 | V1412 F1413 V1414 H1415 L1474 I1478 L1498 I1578 L1582 | V1412-I1580 HydrophobicContact CG1-CD1 3.43Å; V1412-I1580 VanDerWaalsContact CG1-CD1 3.43Å; V1412-I1580 HydrophobicContact CG1-CG1 3.98Å; F1413-I1580 WeakPolarHBondContact O-CB 3.45Å; F1413-I1580 PolarHBondContact O-N 3.34Å; V1414-I1580 HydrophobicContact CG2-CB 3.7Å; V1414-I1580 HydrophobicContact CG2-CG2 3.7Å; H1415-I1580 PolarHBondContact N-O 3.13Å; L1474-I1580 HydrophobicContact CD2-CD1 4.25Å; I1478-I1580 HydrophobicContact CD1-CD1 4.1Å; I1478-I1580 HydrophobicContact CD1-CG2 4.32Å; I1478-I1580 HydrophobicContact CG1-CD1 4.25Å; L1498-I1580 HydrophobicContact CD1-CB 4.48Å; L1498-I1580 HydrophobicContact CD1-CD1 4.39Å; L1498-I1580 HydrophobicContact CD1-CG1 4.33Å; L1498-I1580 HydrophobicContact CD1-CG2 3.59Å; I1578-I1580 HydrophobicContact CG2-CG1 3.92Å; I1580-L1582 HydrophobicContact CG2-CD2 3.8Å; I1580-L1582 HydrophobicContact CG2-CG 4.29Å |
| 1581 | H | 75.3 | Confident | 61.5 | Low | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.5 | 165.4 | -57.6 | -66.7 | 0 | 0 | 0 | 109.2 | I1419 Q1499 A1500 C1585 | I1419-H1581 WeakPolarHBondContact CD1-CE1 3.23Å; I1419-H1581 WeakPolarHBondContact CD1-NE2 3.32Å; Q1499-H1581 PolarHBondContact N-O 2.94Å; A1500-H1581 HydrophobicContact CB-CB 4.33Å; A1500-H1581 PolarHBondContact N-O 3.22Å; A1500-H1581 VanDerWaalsContact N-O 3.07Å; A1500-H1581 PolarHBondContact O-N 2.95Å; A1500-H1581 VanDerWaalsContact O-O 3.08Å; H1581-C1585 HydrophobicContact CB-CB 4.32Å |
| 1582 | L | 75.5 | Confident | 59.7 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 159.5 | 177.3 | -55.5 | 169.5 | 0 | 0 | 0 | 110.2 | V1414 I1478 L1496 Q1499 I1580 G1584 C1585 F1614 | V1414-L1582 HydrophobicContact CG1-CD1 3.77Å; V1414-L1582 HydrophobicContact CG1-CG 4.22Å; V1414-L1582 HydrophobicContact CG2-CD1 4.32Å; V1414-L1582 HydrophobicContact CG2-CD2 4.2Å; V1414-L1582 HydrophobicContact CG2-CG 4.25Å; I1478-L1582 HydrophobicContact CD1-CD2 3.96Å; L1496-L1582 HydrophobicContact CD1-CD1 4.28Å; L1496-L1582 HydrophobicContact CD2-CD1 3.82Å; L1496-L1582 HydrophobicContact CD2-CD2 4.26Å; L1496-L1582 HydrophobicContact CG-CD1 4.15Å; L1496-L1582 HydrophobicContact CG-CD2 4.21Å; Q1499-L1582 PolarHBondContact OE1-O 3.43Å; I1580-L1582 HydrophobicContact CG2-CD2 3.8Å; I1580-L1582 HydrophobicContact CG2-CG 4.29Å; L1582-G1584 PolarHBondContact O-N 3.09Å; L1582-C1585 PolarHBondContact N-SG 2.61Å; L1582-C1585 WeakPolarHBondContact O-CB 3.31Å; L1582-C1585 PolarHBondContact O-N 2.93Å; L1582-C1585 PolarHBondContact O-SG 3.25Å; L1582-F1614 HydrophobicContact CD1-CD1 4.4Å |
| 1583 | K | 67.5 | Low | 58 | Low | 39 Ų | 39 | 64.4 Ų | 64.4 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 120.8 | 175.1 | -155 | 166.6 | 179.8 | 178.9 | 0 | 110.1 | E1497 Q1499 | E1497-K1583 HydrophobicContact CB-CB 4.12Å; E1497-K1583 HydrophobicContact CB-CD 3.73Å; E1497-K1583 HydrophobicContact CG-CD 4.31Å; E1497-K1583 PolarHBondContact O-N 3.08Å; E1497-K1583 IonicContact OE1-NZ 2.75Å; E1497-K1583 PolarHBondContact OE1-NZ 3.1Å; E1497-K1583 IonicContact OE2-NZ 2.83Å; E1497-K1583 PolarHBondContact OE2-NZ 2.94Å; Q1499-K1583 HydrophobicContact CB-CB 4.31Å |
| 1584 | G | 60.8 | Low | 56.2 | Low | 12 Ų | 12 | 64.3 Ų | 64.3 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 1.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1499 L1582 T1586 M1608 | Q1499-G1584 VanDerWaalsContact OE1-N 3.13Å; L1582-G1584 PolarHBondContact O-N 3.09Å; G1584-T1586 VanDerWaalsContact C-N 3.34Å; G1584-M1608 WeakPolarHBondContact O-CE 3.43Å |
| 1585 | C | 53.1 | Low | 54.1 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | trans | -74 | -20.1 | 173.1 | -66.1 | 0 | 0 | 0 | 0 | 114.2 | S1418 H1581 L1582 Y1611 | S1418-C1585 WeakPolarHBondContact CA-O 3.17Å; S1418-C1585 WeakPolarHBondContact CB-O 3.23Å; H1581-C1585 HydrophobicContact CB-CB 4.32Å; L1582-C1585 PolarHBondContact N-SG 2.61Å; L1582-C1585 WeakPolarHBondContact O-CB 3.31Å; L1582-C1585 PolarHBondContact O-N 2.93Å; L1582-C1585 PolarHBondContact O-SG 3.25Å; C1585-Y1611 HydrophobicContact CB-CE2 4.3Å; C1585-Y1611 VanDerWaalsContact SG-CD2 3.5Å; C1585-Y1611 WeakPolarHBondContact SG-CE2 3.44Å | ||
| 1586 | T | 46.4 | Very low | 52 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | trans | -101.2 | 111.8 | -172.9 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | Y1421 Q1499 G1584 K1588 | Y1421-T1586 HydrophobicContact CE2-CG2 4.41Å; Q1499-T1586 PolarHBondContact NE2-OG1 2.85Å; G1584-T1586 VanDerWaalsContact C-N 3.34Å; T1586-K1588 PolarHBondContact O-N 2.84Å | ||
| 1587 | M | 35.4 | Very low | 49.7 | Very low | 52 Ų | 52 | 78 Ų | 78 | 26% | 0.256 | 39% | 0.385 | S | S | . | . | trans | -72.1 | 109.8 | 162.9 | -60.2 | -92 | 48.8 | 0 | 0 | 107.8 | M1608 P1661 | M1587-M1608 HydrophobicContact CE-CE 3.87Å; M1587-M1608 HydrophobicContact CE-SD 3.42Å; M1587-M1608 WeakPolarHBondContact CE-SD 3.29Å; M1587-M1608 HydrophobicContact CG-CE 3.99Å; M1587-M1608 HydrophobicContact SD-CE 3.65Å; M1587-M1608 HydrophobicContact SD-SD 3.77Å; M1587-P1661 HydrophobicContact CB-CG 4.36Å; M1587-P1661 HydrophobicContact CE-CG 3.98Å; M1587-P1661 HydrophobicContact CG-CG 4.36Å; M1587-P1661 HydrophobicContact SD-CB 3.7Å; M1587-P1661 HydrophobicContact SD-CG 3.51Å; M1587-P1661 VanDerWaalsContact SD-CG 3.51Å | ||
| 1588 | K | 33.4 | Very low | 47.6 | Very low | 152 Ų | 152 | 81.6 Ų | 81.6 | 66% | 0.661 | 41% | 0.408 | S | S | * | . | trans | -83.4 | 129.9 | -179.9 | -77.7 | -173.8 | 174.8 | -179.6 | 0 | 110.5 | T1586 | T1586-K1588 PolarHBondContact O-N 2.84Š| ||
| 1589 | F | 25.7 | Very low | 45.3 | Very low | 105 Ų | 105 | 89.2 Ų | 89.2 | 46% | 0.461 | 44% | 0.443 | S | S | . | . | trans | -57.2 | 132.3 | 164.3 | -81.4 | -97.3 | 0 | 0 | 0 | 110.4 | L1591 | F1589-L1591 HydrophobicContact CB-CG 4.39Å; F1589-L1591 PolarHBondContact O-N 3.38Å | ||
| 1590 | P | 26 | Very low | 43.2 | Very low | 87 Ų | 87 | 91.3 Ų | 91.3 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | trans | -75.8 | 77.1 | 169.9 | 31.4 | -33.9 | 0 | 0 | 0 | 110.3 | Q1592 | P1590-Q1592 PolarHBondContact O-N 3.17Š| ||
| 1591 | L | 24.9 | Very low | 41.7 | Very low | 160 Ų | 160 | 95.1 Ų | 95.1 | 84% | 0.838 | 47% | 0.471 | S | S | * | . | trans | -74.3 | 52.5 | 170.9 | -78.8 | 173 | 0 | 0 | 0 | 112.4 | F1589 | F1589-L1591 HydrophobicContact CB-CG 4.39Å; F1589-L1591 PolarHBondContact O-N 3.38Å | ||
| 1592 | Q | 26.6 | Very low | 40.4 | Very low | 150 Ų | 150 | 98.7 Ų | 98.7 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -176.6 | 141.3 | 157.5 | -108.3 | 160.6 | -8.9 | 0 | 0 | 109.7 | P1590 D1594 | P1590-Q1592 PolarHBondContact O-N 3.17Å; Q1592-D1594 WeakPolarHBondContact CG-OD2 3.28Å; Q1592-D1594 PolarHBondContact O-N 2.86Å; Q1592-D1594 VanDerWaalsContact O-N 3.17Å |
| 1593 | K | 27 | Very low | 39 | Very low | 219 Ų | 219 | 105.1 Ų | 105.1 | 95% | 0.952 | 52% | 0.521 | S | S | * | . | trans | -83.7 | 31 | 177.8 | -81 | -171.2 | 173 | -178.2 | 0 | 112.8 | ||||
| 1594 | D | 28.6 | Very low | 38.7 | Very low | 112 Ų | 112 | 108.2 Ų | 108.2 | 60% | 0.599 | 54% | 0.536 | S | S | * | . | trans | -100.4 | 136 | -174.8 | -65.8 | -66.8 | 0 | 0 | 0 | 111.8 | Q1592 K1596 | Q1592-D1594 WeakPolarHBondContact CG-OD2 3.28Å; Q1592-D1594 PolarHBondContact O-N 2.86Å; Q1592-D1594 VanDerWaalsContact O-N 3.17Å; D1594-K1596 PolarHBondContact O-N 3.12Å | ||
| 1595 | Q | 34.6 | Very low | 39 | Very low | 200 Ų | 200 | 109 Ų | 109 | 94% | 0.935 | 54% | 0.537 | S | S | * | . | trans | -69.9 | 94.6 | -172.5 | -66.1 | 178.2 | -6.2 | 0 | 0 | 111.5 | ||||
| 1596 | K | 33.8 | Very low | 39.9 | Very low | 152 Ų | 152 | 115 Ų | 115 | 66% | 0.661 | 56% | 0.563 | S | S | * | * | trans | -70.4 | 140 | 174.5 | -70.9 | -177.5 | -180 | 177.1 | 0 | 111.4 | D1594 | D1594-K1596 PolarHBondContact O-N 3.12Š| ||
| 1597 | P | 33.7 | Very low | 41.1 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | trans | -69.2 | 147.7 | -177.7 | 28.5 | -35.2 | 0 | 0 | 0 | 111.8 | H1599 Q1600 | P1597-H1599 PolarHBondContact O-N 2.98Å; P1597-Q1600 PolarHBondContact O-N 3.32Å | ||
| 1598 | P | 40.6 | Very low | 42.8 | Very low | 99 Ų | 99 | 113.1 Ų | 113.1 | 64% | 0.643 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.3 | -21.4 | -170 | 22.4 | -34.2 | 0 | 0 | 0 | 114.7 | Q1600 H1601 | P1598-Q1600 VanDerWaalsContact C-N 3.35Å; P1598-Q1600 PolarHBondContact O-N 2.96Å; P1598-H1601 PolarHBondContact O-N 3.13Å |
| 1599 | H | 36 | Very low | 45 | Very low | 160 Ų | 160 | 106.3 Ų | 106.3 | 74% | 0.741 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -27.7 | 179.5 | -65.7 | -69.6 | 0 | 0 | 0 | 114.6 | P1597 | P1597-H1599 PolarHBondContact O-N 2.98Å |
| 1600 | Q | 39.7 | Very low | 47.6 | Very low | 96 Ų | 96 | 101.7 Ų | 101.7 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.6 | -41 | 177 | -86.5 | -176.3 | -26.2 | 0 | 0 | 112 | P1597 P1598 V1602 F1603 E1604 | P1597-Q1600 PolarHBondContact O-N 3.32Å; P1598-Q1600 VanDerWaalsContact C-N 3.35Å; P1598-Q1600 PolarHBondContact O-N 2.96Å; Q1600-V1602 PolarHBondContact O-N 2.99Å; Q1600-F1603 WeakPolarHBondContact O-CB 3.46Å; Q1600-F1603 PolarHBondContact O-N 2.96Å; Q1600-E1604 PolarHBondContact O-N 3.31Å |
| 1601 | H | 50.7 | Low | 50 | Low | 81 Ų | 81 | 98.6 Ų | 98.6 | 38% | 0.375 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -30.4 | -177.1 | -152.4 | -39.6 | 0 | 0 | 0 | 112.7 | P1598 Q1605 | P1598-H1601 PolarHBondContact O-N 3.13Å; H1601-Q1605 PolarHBondContact ND1-NE2 2.99Å; H1601-Q1605 WeakPolarHBondContact O-CG 3.28Å; H1601-Q1605 PolarHBondContact O-N 3.32Å |
| 1602 | V | 48.4 | Very low | 52.5 | Low | 89 Ų | 89 | 91.6 Ų | 91.6 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71 | -33.8 | 173.6 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | Q1600 K1606 | Q1600-V1602 PolarHBondContact O-N 2.99Å; V1602-K1606 PolarHBondContact O-N 3.46Å |
| 1603 | F | 46.4 | Very low | 55.2 | Low | 135 Ų | 135 | 84.5 Ų | 84.5 | 59% | 0.592 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.9 | -47.3 | -179.9 | -156.1 | -78.3 | 0 | 0 | 0 | 111.1 | Q1600 Q1605 K1606 E1607 | Q1600-F1603 WeakPolarHBondContact O-CB 3.46Å; Q1600-F1603 PolarHBondContact O-N 2.96Å; F1603-Q1605 VanDerWaalsContact C-N 3.34Å; F1603-Q1605 PolarHBondContact O-N 3.12Å; F1603-K1606 PolarHBondContact O-N 3.42Å; F1603-K1606 VanDerWaalsContact O-N 3.13Å; F1603-E1607 HydrophobicContact CD1-CG 4.33Å; F1603-E1607 HydrophobicContact CE1-CG 4.28Å; F1603-E1607 PolarHBondContact O-N 3.01Å |
| 1604 | E | 61 | Low | 57.7 | Low | 105 Ų | 105 | 74.1 Ų | 74.1 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 177.4 | -66.4 | -178.9 | 153.9 | 0 | 0 | 111.5 | Q1600 K1606 E1607 M1608 | Q1600-E1604 PolarHBondContact O-N 3.31Å; E1604-K1606 VanDerWaalsContact C-N 3.3Å; E1604-K1606 PolarHBondContact O-N 3.01Å; E1604-E1607 PolarHBondContact O-N 3.36Å; E1604-M1608 WeakPolarHBondContact O-CG 3.49Å; E1604-M1608 PolarHBondContact O-N 3.01Å |
| 1605 | Q | 67.9 | Low | 60.1 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 175.1 | -74.8 | 171 | -10.2 | 0 | 0 | 113.5 | H1601 F1603 L1609 R1631 I1656 | H1601-Q1605 PolarHBondContact ND1-NE2 2.99Å; H1601-Q1605 WeakPolarHBondContact O-CG 3.28Å; H1601-Q1605 PolarHBondContact O-N 3.32Å; F1603-Q1605 VanDerWaalsContact C-N 3.34Å; F1603-Q1605 PolarHBondContact O-N 3.12Å; Q1605-L1609 WeakPolarHBondContact O-CB 3.37Å; Q1605-L1609 PolarHBondContact O-N 3.29Å; Q1605-R1631 VanDerWaalsContact OE1-NH1 3.08Å; Q1605-I1656 HydrophobicContact CB-CG2 4.3Å; Q1605-I1656 HydrophobicContact CG-CG2 4.26Å |
| 1606 | K | 71 | Confident | 62.1 | Low | 128 Ų | 128 | 62 Ų | 62 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.8 | -37.9 | 177.6 | -168 | 179.1 | -179.7 | -175.5 | 0 | 111.9 | V1602 F1603 E1604 L1609 K1610 | V1602-K1606 PolarHBondContact O-N 3.46Å; F1603-K1606 PolarHBondContact O-N 3.42Å; F1603-K1606 VanDerWaalsContact O-N 3.13Å; E1604-K1606 VanDerWaalsContact C-N 3.3Å; E1604-K1606 PolarHBondContact O-N 3.01Å; K1606-L1609 PolarHBondContact O-N 3.04Å; K1606-K1610 PolarHBondContact O-N 2.7Å |
| 1607 | E | 71.1 | Confident | 64.4 | Low | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 175.2 | -59.9 | -54.8 | 111.6 | 0 | 0 | 111.5 | F1603 E1604 L1609 K1610 Y1611 | F1603-E1607 HydrophobicContact CD1-CG 4.33Å; F1603-E1607 HydrophobicContact CE1-CG 4.28Å; F1603-E1607 PolarHBondContact O-N 3.01Å; E1604-E1607 PolarHBondContact O-N 3.36Å; E1607-L1609 PolarHBondContact O-N 3.15Å; E1607-K1610 WeakPolarHBondContact O-CB 3.38Å; E1607-K1610 PolarHBondContact O-N 3.22Å; E1607-K1610 VanDerWaalsContact O-N 3.11Å; E1607-K1610 WeakPolarHBondContact OE1-CE 3.27Å; E1607-K1610 IonicContact OE1-NZ 3.88Å; E1607-K1610 PolarHBondContact OE1-NZ 3.09Å; E1607-K1610 IonicContact OE2-NZ 3.71Å; E1607-K1610 PolarHBondContact OE2-NZ 3.42Å; E1607-Y1611 PolarHBondContact O-N 3.19Å |
| 1608 | M | 72.3 | Confident | 66.8 | Low | 24 Ų | 24 | 51.6 Ų | 51.6 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -30.7 | 173.1 | -60.2 | -150.8 | 93.9 | 0 | 0 | 112.6 | G1584 M1587 E1604 Y1611 V1612 I1656 | G1584-M1608 WeakPolarHBondContact O-CE 3.43Å; M1587-M1608 HydrophobicContact CE-CE 3.87Å; M1587-M1608 HydrophobicContact CE-SD 3.42Å; M1587-M1608 WeakPolarHBondContact CE-SD 3.29Å; M1587-M1608 HydrophobicContact CG-CE 3.99Å; M1587-M1608 HydrophobicContact SD-CE 3.65Å; M1587-M1608 HydrophobicContact SD-SD 3.77Å; E1604-M1608 WeakPolarHBondContact O-CG 3.49Å; E1604-M1608 PolarHBondContact O-N 3.01Å; M1608-Y1611 WeakPolarHBondContact O-CB 3.28Å; M1608-Y1611 PolarHBondContact O-N 3.4Å; M1608-V1612 PolarHBondContact O-N 3.49Å; M1608-I1656 HydrophobicContact CB-CD1 3.98Å; M1608-I1656 HydrophobicContact CB-CG1 3.95Å |
| 1609 | L | 79.9 | Confident | 68.9 | Low | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.4 | -34.6 | 175.5 | -162.7 | 65.3 | 0 | 0 | 0 | 112.9 | Q1605 K1606 E1607 Y1611 V1612 C1613 L1620 L1623 L1627 L1653 I1656 | Q1605-L1609 WeakPolarHBondContact O-CB 3.37Å; Q1605-L1609 PolarHBondContact O-N 3.29Å; K1606-L1609 PolarHBondContact O-N 3.04Å; E1607-L1609 PolarHBondContact O-N 3.15Å; L1609-Y1611 VanDerWaalsContact C-N 3.26Å; L1609-Y1611 PolarHBondContact O-N 2.77Å; L1609-V1612 PolarHBondContact O-N 3.11Å; L1609-C1613 WeakPolarHBondContact O-CB 3.4Å; L1609-C1613 PolarHBondContact O-N 2.92Å; L1609-L1620 HydrophobicContact CB-CD1 4.12Å; L1609-L1620 HydrophobicContact CD2-CD1 3.8Å; L1609-L1620 HydrophobicContact CG-CD1 3.74Å; L1609-L1623 HydrophobicContact CD1-CB 3.86Å; L1609-L1623 HydrophobicContact CD2-CB 4.34Å; L1609-L1623 HydrophobicContact CG-CB 4.16Å; L1609-L1627 HydrophobicContact CD1-CD1 3.56Å; L1609-L1627 HydrophobicContact CD1-CG 4.15Å; L1609-L1627 HydrophobicContact CD2-CD1 4.06Å; L1609-L1627 HydrophobicContact CG-CD1 4.31Å; L1609-L1653 HydrophobicContact CD1-CD2 4.14Å; L1609-I1656 HydrophobicContact CD1-CD1 4.16Å |
| 1610 | K | 79.4 | Confident | 71.2 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 170.9 | -63.8 | 175 | -178.1 | 170.4 | 0 | 111.4 | L1493 S1495 L1496 K1606 E1607 C1613 F1614 L1620 | L1493-K1610 HydrophobicContact CD2-CB 4.17Å; S1495-K1610 PolarHBondContact O-NZ 3.36Å; S1495-K1610 VanDerWaalsContact OG-CE 3.26Å; S1495-K1610 WeakPolarHBondContact OG-CE 3.39Å; S1495-K1610 PolarHBondContact OG-NZ 3.18Å; S1495-K1610 VanDerWaalsContact OG-NZ 3.16Å; L1496-K1610 HydrophobicContact CD1-CB 3.88Å; L1496-K1610 HydrophobicContact CD1-CD 4.43Å; K1606-K1610 PolarHBondContact O-N 2.7Å; E1607-K1610 WeakPolarHBondContact O-CB 3.38Å; E1607-K1610 PolarHBondContact O-N 3.22Å; E1607-K1610 VanDerWaalsContact O-N 3.11Å; E1607-K1610 WeakPolarHBondContact OE1-CE 3.27Å; E1607-K1610 IonicContact OE1-NZ 3.88Å; E1607-K1610 PolarHBondContact OE1-NZ 3.09Å; E1607-K1610 IonicContact OE2-NZ 3.71Å; E1607-K1610 PolarHBondContact OE2-NZ 3.42Å; K1610-C1613 WeakPolarHBondContact O-CB 3.48Å; K1610-C1613 PolarHBondContact O-N 3.36Å; K1610-F1614 PolarHBondContact O-N 2.96Å; K1610-L1620 HydrophobicContact CG-CD2 4.44Å |
| 1611 | Y | 76.6 | Confident | 73.3 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 177.8 | 175.8 | -115.4 | 0 | 0 | 0 | 112.3 | H1415 T1416 E1417 C1585 E1607 M1608 L1609 C1613 F1614 G1615 | H1415-Y1611 PolarHBondContact O-OH 3.38Å; T1416-Y1611 VanDerWaalsContact CA-OH 3.29Å; T1416-Y1611 WeakPolarHBondContact CA-OH 3.39Å; T1416-Y1611 HydrophobicContact CG2-CE2 4.07Å; T1416-Y1611 PolarHBondContact O-OH 2.77Å; E1417-Y1611 VanDerWaalsContact CA-OH 3.27Å; E1417-Y1611 WeakPolarHBondContact CA-OH 3.26Å; E1417-Y1611 PolarHBondContact N-OH 3.39Å; E1417-Y1611 PolarHBondContact O-OH 2.82Å; C1585-Y1611 HydrophobicContact CB-CE2 4.3Å; C1585-Y1611 VanDerWaalsContact SG-CD2 3.5Å; C1585-Y1611 WeakPolarHBondContact SG-CE2 3.44Å; E1607-Y1611 PolarHBondContact O-N 3.19Å; M1608-Y1611 WeakPolarHBondContact O-CB 3.28Å; M1608-Y1611 PolarHBondContact O-N 3.4Å; L1609-Y1611 VanDerWaalsContact C-N 3.26Å; L1609-Y1611 PolarHBondContact O-N 2.77Å; Y1611-C1613 VanDerWaalsContact C-N 3.35Å; Y1611-F1614 PolarHBondContact O-N 2.85Å; Y1611-G1615 PolarHBondContact O-N 3.49Å |
| 1612 | V | 78 | Confident | 74.9 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.085 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.2 | -34.6 | 171.9 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | M1608 L1609 G1615 S1616 L1623 L1649 D1652 I1656 | M1608-V1612 PolarHBondContact O-N 3.49Å; L1609-V1612 PolarHBondContact O-N 3.11Å; V1612-G1615 PolarHBondContact O-N 3.46Å; V1612-S1616 VanDerWaalsContact O-CB 3.25Å; V1612-S1616 WeakPolarHBondContact O-CB 3.22Å; V1612-S1616 PolarHBondContact O-N 3.15Å; V1612-S1616 PolarHBondContact O-OG 3.35Å; V1612-L1623 HydrophobicContact CG1-CD1 4.36Å; V1612-L1649 HydrophobicContact CG1-CD1 4.48Å; V1612-D1652 HydrophobicContact CG1-CB 4.17Å; V1612-D1652 HydrophobicContact CG2-CB 3.96Å; V1612-I1656 HydrophobicContact CB-CD1 4.28Å; V1612-I1656 HydrophobicContact CG2-CD1 3.62Å |
| 1613 | C | 83 | Confident | 76.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 169.1 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | L1493 L1609 K1610 Y1611 G1615 S1616 L1617 I1618 L1620 L1623 | L1493-C1613 HydrophobicContact CD2-CB 4.21Å; L1609-C1613 WeakPolarHBondContact O-CB 3.4Å; L1609-C1613 PolarHBondContact O-N 2.92Å; K1610-C1613 WeakPolarHBondContact O-CB 3.48Å; K1610-C1613 PolarHBondContact O-N 3.36Å; Y1611-C1613 VanDerWaalsContact C-N 3.35Å; C1613-G1615 PolarHBondContact O-N 2.72Å; C1613-S1616 PolarHBondContact O-N 2.91Å; C1613-L1617 WeakPolarHBondContact O-CA 3.46Å; C1613-L1617 PolarHBondContact O-N 3.39Å; C1613-I1618 PolarHBondContact SG-O 3.26Å; C1613-L1620 HydrophobicContact CB-CD1 4.34Å; C1613-L1623 HydrophobicContact CB-CD1 3.77Å |
| 1614 | F | 79.8 | Confident | 78.5 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.8 | -177.5 | -91.6 | 0 | 0 | 0 | 112.7 | V1414 T1416 F1454 I1456 Y1481 L1493 L1496 L1582 K1610 Y1611 R1773 | V1414-F1614 HydrophobicContact CB-CE1 4.41Å; V1414-F1614 HydrophobicContact CG1-CD1 4.42Å; V1414-F1614 HydrophobicContact CG1-CE1 3.82Å; V1414-F1614 HydrophobicContact CG1-CZ 4.46Å; T1416-F1614 HydrophobicContact CG2-CD1 4.2Å; T1416-F1614 HydrophobicContact CG2-CE1 4.35Å; F1454-F1614 HydrophobicContact CD2-CE1 4.28Å; I1456-F1614 HydrophobicContact CD1-CZ 3.88Å; Y1481-F1614 AromaticContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CZ 4.12Å; Y1481-F1614 AromaticContact CE1-CE2 3.64Å; Y1481-F1614 HydrophobicContact CE1-CE2 3.64Å; Y1481-F1614 AromaticContact CE1-CZ 3.53Å; Y1481-F1614 HydrophobicContact CE1-CZ 3.53Å; L1493-F1614 HydrophobicContact CD1-CB 4.43Å; L1493-F1614 HydrophobicContact CD1-CD2 4.41Å; L1496-F1614 HydrophobicContact CD2-CD2 3.83Å; L1496-F1614 HydrophobicContact CD2-CE2 4.4Å; L1496-F1614 HydrophobicContact CD2-CG 4.37Å; L1582-F1614 HydrophobicContact CD1-CD1 4.4Å; K1610-F1614 PolarHBondContact O-N 2.96Å; Y1611-F1614 PolarHBondContact O-N 2.85Å; F1614-R1773 PolarHBondContact O-NH1 2.85Å; F1614-R1773 PolarHBondContact O-NH2 2.84Å |
| 1615 | G | 77.7 | Confident | 79.6 | Confident | 28 Ų | 28 | 28.9 Ų | 28.9 | 29% | 0.289 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.3 | -52 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1611 V1612 C1613 R1773 | Y1611-G1615 PolarHBondContact O-N 3.49Å; V1612-G1615 PolarHBondContact O-N 3.46Å; C1613-G1615 PolarHBondContact O-N 2.72Å; G1615-R1773 PolarHBondContact O-NH1 2.88Å |
| 1616 | S | 78.1 | Confident | 80.4 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -86.8 | -15.5 | -170.5 | 67.4 | 0 | 0 | 0 | 0 | 116.1 | V1612 C1613 I1618 Y1766 | V1612-S1616 VanDerWaalsContact O-CB 3.25Å; V1612-S1616 WeakPolarHBondContact O-CB 3.22Å; V1612-S1616 PolarHBondContact O-N 3.15Å; V1612-S1616 PolarHBondContact O-OG 3.35Å; C1613-S1616 PolarHBondContact O-N 2.91Å; S1616-I1618 PolarHBondContact O-N 3.48Å; S1616-Y1766 VanDerWaalsContact O-CE2 3.31Å; S1616-Y1766 WeakPolarHBondContact O-CE2 3.48Å |
| 1617 | L | 82.1 | Confident | 81 | Confident | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | trans | 59.9 | 23 | -174.1 | -57.8 | 171.2 | 0 | 0 | 0 | 114.6 | L1485 L1491 C1613 R1769 R1773 | L1485-L1617 HydrophobicContact CD1-CD2 4.06Å; L1491-L1617 HydrophobicContact CD1-CD2 4.26Å; C1613-L1617 WeakPolarHBondContact O-CA 3.46Å; C1613-L1617 PolarHBondContact O-N 3.39Å; L1617-R1769 HydrophobicContact CB-CB 4.24Å; L1617-R1769 HydrophobicContact CD1-CB 4.23Å; L1617-R1769 HydrophobicContact CD2-CB 4.45Å; L1617-R1769 PolarHBondContact O-NE 3.06Å; L1617-R1773 HydrophobicContact CD1-CB 4.42Å | ||
| 1618 | I | 83.3 | Confident | 81.6 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | trans | -97.2 | 132.5 | 174.4 | -56.8 | 159.9 | 0 | 0 | 0 | 108.8 | C1613 S1616 T1622 L1623 L1649 Y1766 | C1613-I1618 PolarHBondContact SG-O 3.26Å; S1616-I1618 PolarHBondContact O-N 3.48Å; I1618-T1622 HydrophobicContact CG2-CG2 4.04Å; I1618-L1623 HydrophobicContact CB-CD1 4.25Å; I1618-L1623 HydrophobicContact CB-CD2 3.99Å; I1618-L1623 HydrophobicContact CB-CG 4.03Å; I1618-L1623 HydrophobicContact CD1-CD2 4.11Å; I1618-L1623 HydrophobicContact CG2-CD2 3.84Å; I1618-L1623 HydrophobicContact CG2-CG 3.86Å; I1618-L1623 WeakPolarHBondContact O-CD1 3.47Å; I1618-L1649 HydrophobicContact CD1-CD1 3.87Å; I1618-L1649 HydrophobicContact CD1-CD2 3.79Å; I1618-L1649 HydrophobicContact CD1-CG 4.34Å; I1618-Y1766 HydrophobicContact CG1-CD2 4.41Å; I1618-Y1766 HydrophobicContact CG1-CE2 4.33Å | ||
| 1619 | P | 85.3 | Confident | 82.1 | Confident | 20 Ų | 20 | 23.6 Ų | 23.6 | 13% | 0.13 | 14% | 0.144 | C | C | . | . | trans | -52.1 | 140.9 | -179.4 | -30.9 | 37 | 0 | 0 | 0 | 115.4 | I1621 T1622 L1623 | P1619-I1621 VanDerWaalsContact C-N 3.28Å; P1619-I1621 PolarHBondContact O-N 3.34Å; P1619-T1622 WeakPolarHBondContact O-CB 3.35Å; P1619-T1622 PolarHBondContact O-N 3.16Å; P1619-L1623 PolarHBondContact O-N 2.71Å | ||
| 1620 | L | 84.1 | Confident | 82.2 | Confident | 19 Ų | 19 | 23.2 Ų | 23.2 | 10% | 0.099 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.2 | -35.1 | -177.4 | -173.7 | 64.2 | 0 | 0 | 0 | 112.8 | L1491 L1609 K1610 C1613 S1624 | L1491-L1620 WeakPolarHBondContact O-CB 3.44Å; L1609-L1620 HydrophobicContact CB-CD1 4.12Å; L1609-L1620 HydrophobicContact CD2-CD1 3.8Å; L1609-L1620 HydrophobicContact CG-CD1 3.74Å; K1610-L1620 HydrophobicContact CG-CD2 4.44Å; C1613-L1620 HydrophobicContact CB-CD1 4.34Å; L1620-S1624 VanDerWaalsContact O-CB 3.32Å; L1620-S1624 WeakPolarHBondContact O-CB 3.31Å; L1620-S1624 PolarHBondContact O-N 3.38Å; L1620-S1624 PolarHBondContact O-OG 3.34Å |
| 1621 | I | 83.8 | Confident | 82.2 | Confident | 91 Ų | 91 | 27.2 Ų | 27.2 | 47% | 0.467 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.2 | -51.7 | 173.2 | -63.8 | 175 | 0 | 0 | 0 | 110.1 | P1619 L1623 S1624 T1625 | P1619-I1621 VanDerWaalsContact C-N 3.28Å; P1619-I1621 PolarHBondContact O-N 3.34Å; I1621-L1623 PolarHBondContact O-N 2.64Å; I1621-S1624 PolarHBondContact O-N 2.89Å; I1621-S1624 PolarHBondContact O-OG 2.76Å; I1621-T1625 WeakPolarHBondContact O-CB 3.36Å; I1621-T1625 PolarHBondContact O-N 3.1Å; I1621-T1625 PolarHBondContact O-OG1 3.46Å |
| 1622 | T | 84.5 | Confident | 82.3 | Confident | 35 Ų | 35 | 32 Ų | 32 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | -179.3 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | I1618 P1619 S1624 T1625 Y1626 | I1618-T1622 HydrophobicContact CG2-CG2 4.04Å; P1619-T1622 WeakPolarHBondContact O-CB 3.35Å; P1619-T1622 PolarHBondContact O-N 3.16Å; T1622-S1624 VanDerWaalsContact C-N 3.35Å; T1622-S1624 PolarHBondContact O-N 2.79Å; T1622-T1625 WeakPolarHBondContact O-CB 3.43Å; T1622-T1625 PolarHBondContact O-N 3Å; T1622-T1625 VanDerWaalsContact O-N 3.17Å; T1622-Y1626 HydrophobicContact CG2-CD1 4.35Å; T1622-Y1626 HydrophobicContact CG2-CE1 3.63Å; T1622-Y1626 HydrophobicContact CG2-CE2 3.92Å; T1622-Y1626 WeakPolarHBondContact CG2-OH 3.09Å; T1622-Y1626 VanDerWaalsContact O-CD1 3.23Å; T1622-Y1626 WeakPolarHBondContact O-CD1 3.25Å; T1622-Y1626 VanDerWaalsContact O-CG 3.3Å; T1622-Y1626 PolarHBondContact O-N 3.06Å |
| 1623 | L | 84.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 175.8 | -67.5 | 177.2 | 0 | 0 | 0 | 113.1 | L1609 V1612 C1613 I1618 P1619 I1621 T1625 Y1626 L1627 L1649 L1653 | L1609-L1623 HydrophobicContact CD1-CB 3.86Å; L1609-L1623 HydrophobicContact CD2-CB 4.34Å; L1609-L1623 HydrophobicContact CG-CB 4.16Å; V1612-L1623 HydrophobicContact CG1-CD1 4.36Å; C1613-L1623 HydrophobicContact CB-CD1 3.77Å; I1618-L1623 HydrophobicContact CB-CD1 4.25Å; I1618-L1623 HydrophobicContact CB-CD2 3.99Å; I1618-L1623 HydrophobicContact CB-CG 4.03Å; I1618-L1623 HydrophobicContact CD1-CD2 4.11Å; I1618-L1623 HydrophobicContact CG2-CD2 3.84Å; I1618-L1623 HydrophobicContact CG2-CG 3.86Å; I1618-L1623 WeakPolarHBondContact O-CD1 3.47Å; P1619-L1623 PolarHBondContact O-N 2.71Å; I1621-L1623 PolarHBondContact O-N 2.64Å; L1623-T1625 VanDerWaalsContact C-N 3.33Å; L1623-Y1626 PolarHBondContact O-N 3.48Å; L1623-L1627 PolarHBondContact O-N 2.62Å; L1623-L1649 HydrophobicContact CD2-CD1 3.53Å; L1623-L1653 HydrophobicContact CD2-CD2 4.45Å |
| 1624 | S | 84.7 | Confident | 81.7 | Confident | 55 Ų | 55 | 36.3 Ų | 36.3 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.3 | -33.6 | 176.3 | 75.6 | 0 | 0 | 0 | 0 | 112.5 | L1620 I1621 T1622 L1627 S1628 | L1620-S1624 VanDerWaalsContact O-CB 3.32Å; L1620-S1624 WeakPolarHBondContact O-CB 3.31Å; L1620-S1624 PolarHBondContact O-N 3.38Å; L1620-S1624 PolarHBondContact O-OG 3.34Å; I1621-S1624 PolarHBondContact O-N 2.89Å; I1621-S1624 PolarHBondContact O-OG 2.76Å; T1622-S1624 VanDerWaalsContact C-N 3.35Å; T1622-S1624 PolarHBondContact O-N 2.79Å; S1624-L1627 PolarHBondContact O-N 2.8Å; S1624-S1628 PolarHBondContact O-N 3.26Å; S1624-S1628 PolarHBondContact O-OG 2.7Å |
| 1625 | T | 83.9 | Confident | 81.5 | Confident | 68 Ų | 68 | 37.2 Ų | 37.2 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.8 | -31.1 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | I1621 T1622 L1623 S1628 T1629 | I1621-T1625 WeakPolarHBondContact O-CB 3.36Å; I1621-T1625 PolarHBondContact O-N 3.1Å; I1621-T1625 PolarHBondContact O-OG1 3.46Å; T1622-T1625 WeakPolarHBondContact O-CB 3.43Å; T1622-T1625 PolarHBondContact O-N 3Å; T1622-T1625 VanDerWaalsContact O-N 3.17Å; L1623-T1625 VanDerWaalsContact C-N 3.33Å; T1625-S1628 WeakPolarHBondContact CA-OG 3.39Å; T1625-S1628 PolarHBondContact O-OG 3.32Å; T1625-S1628 VanDerWaalsContact O-OG 3.09Å; T1625-T1629 VanDerWaalsContact O-CB 3.23Å; T1625-T1629 WeakPolarHBondContact O-CB 3.33Å; T1625-T1629 PolarHBondContact O-N 2.89Å; T1625-T1629 VanDerWaalsContact O-N 3.12Å; T1625-T1629 PolarHBondContact O-OG1 3.37Å |
| 1626 | Y | 85.4 | Confident | 81.6 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.4 | -44.2 | 171.6 | -64.8 | -1.1 | 0 | 0 | 0 | 110.5 | T1622 L1623 T1629 I1630 L1649 I1754 N1755 H1756 | T1622-Y1626 HydrophobicContact CG2-CD1 4.35Å; T1622-Y1626 HydrophobicContact CG2-CE1 3.63Å; T1622-Y1626 HydrophobicContact CG2-CE2 3.92Å; T1622-Y1626 WeakPolarHBondContact CG2-OH 3.09Å; T1622-Y1626 VanDerWaalsContact O-CD1 3.23Å; T1622-Y1626 WeakPolarHBondContact O-CD1 3.25Å; T1622-Y1626 VanDerWaalsContact O-CG 3.3Å; T1622-Y1626 PolarHBondContact O-N 3.06Å; L1623-Y1626 PolarHBondContact O-N 3.48Å; Y1626-T1629 WeakPolarHBondContact O-CB 3.35Å; Y1626-T1629 PolarHBondContact O-N 3.3Å; Y1626-I1630 WeakPolarHBondContact O-CD1 3.41Å; Y1626-I1630 VanDerWaalsContact O-CG1 3.27Å; Y1626-I1630 WeakPolarHBondContact O-CG1 3.35Å; Y1626-I1630 PolarHBondContact O-N 3.46Å; Y1626-L1649 HydrophobicContact CD2-CD2 4.15Å; Y1626-L1649 HydrophobicContact CE2-CD2 4.11Å; Y1626-I1754 HydrophobicContact CD1-CD1 4.04Å; Y1626-I1754 HydrophobicContact CD1-CG1 4.42Å; Y1626-I1754 HydrophobicContact CD1-CG2 3.51Å; Y1626-I1754 HydrophobicContact CD2-CG2 4.2Å; Y1626-I1754 HydrophobicContact CE1-CG2 3.24Å; Y1626-I1754 HydrophobicContact CE2-CG2 3.96Å; Y1626-I1754 HydrophobicContact CG-CD1 4.02Å; Y1626-I1754 HydrophobicContact CG-CG2 3.99Å; Y1626-I1754 VanDerWaalsContact CZ-CG2 3.47Å; Y1626-N1755 PolarHBondContact OH-O 3.47Å; Y1626-N1755 VanDerWaalsContact OH-O 3.06Å; Y1626-H1756 AromaticContact CE2-ND1 3.71Å; Y1626-H1756 WeakPolarHBondContact OH-CA 3.49Å |
| 1627 | L | 83.9 | Confident | 81.7 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.6 | -82.6 | -172 | 0 | 0 | 0 | 113.7 | L1609 L1623 S1624 T1629 I1630 R1631 L1653 I1656 L1657 | L1609-L1627 HydrophobicContact CD1-CD1 3.56Å; L1609-L1627 HydrophobicContact CD1-CG 4.15Å; L1609-L1627 HydrophobicContact CD2-CD1 4.06Å; L1609-L1627 HydrophobicContact CG-CD1 4.31Å; L1623-L1627 PolarHBondContact O-N 2.62Å; S1624-L1627 PolarHBondContact O-N 2.8Å; L1627-T1629 VanDerWaalsContact C-N 3.35Å; L1627-I1630 PolarHBondContact O-N 3.37Å; L1627-R1631 WeakPolarHBondContact O-CB 3.46Å; L1627-R1631 VanDerWaalsContact O-CG 3.25Å; L1627-R1631 WeakPolarHBondContact O-CG 3.01Å; L1627-R1631 PolarHBondContact O-N 3.09Å; L1627-L1653 HydrophobicContact CD2-CB 4.35Å; L1627-L1653 HydrophobicContact CD2-CD2 3.89Å; L1627-L1653 HydrophobicContact CG-CD2 3.95Å; L1627-I1656 HydrophobicContact CD1-CG2 3.86Å; L1627-L1657 HydrophobicContact CD2-CD1 4.12Å; L1627-L1657 HydrophobicContact CD2-CD2 3.9Å; L1627-L1657 HydrophobicContact CD2-CG 3.75Å |
| 1628 | S | 83.2 | Confident | 81.7 | Confident | 49 Ų | 49 | 34.3 Ų | 34.3 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 173.5 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | S1624 T1625 I1630 R1631 D1632 | S1624-S1628 PolarHBondContact O-N 3.26Å; S1624-S1628 PolarHBondContact O-OG 2.7Å; T1625-S1628 WeakPolarHBondContact CA-OG 3.39Å; T1625-S1628 PolarHBondContact O-OG 3.32Å; T1625-S1628 VanDerWaalsContact O-OG 3.09Å; S1628-I1630 VanDerWaalsContact C-N 3.32Å; S1628-I1630 PolarHBondContact O-N 2.93Å; S1628-R1631 WeakPolarHBondContact O-CA 3.45Å; S1628-R1631 WeakPolarHBondContact O-CB 3.19Å; S1628-R1631 PolarHBondContact O-N 3.26Å; S1628-D1632 PolarHBondContact O-N 3.4Å |
| 1629 | T | 81.8 | Confident | 81.4 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.7 | -42.7 | 175.5 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | T1625 Y1626 L1627 R1631 N1633 V1636 K1752 I1754 | T1625-T1629 VanDerWaalsContact O-CB 3.23Å; T1625-T1629 WeakPolarHBondContact O-CB 3.33Å; T1625-T1629 PolarHBondContact O-N 2.89Å; T1625-T1629 VanDerWaalsContact O-N 3.12Å; T1625-T1629 PolarHBondContact O-OG1 3.37Å; Y1626-T1629 WeakPolarHBondContact O-CB 3.35Å; Y1626-T1629 PolarHBondContact O-N 3.3Å; L1627-T1629 VanDerWaalsContact C-N 3.35Å; T1629-R1631 VanDerWaalsContact C-N 3.34Å; T1629-N1633 PolarHBondContact O-N 3.39Å; T1629-N1633 PolarHBondContact O-ND2 3.32Å; T1629-V1636 HydrophobicContact CG2-CG1 4.16Å; T1629-V1636 HydrophobicContact CG2-CG2 4.14Å; T1629-K1752 HydrophobicContact CG2-CB 4.43Å; T1629-K1752 HydrophobicContact CG2-CD 3.66Å; T1629-K1752 HydrophobicContact CG2-CG 3.93Å; T1629-K1752 PolarHBondContact OG1-NZ 3.06Å; T1629-I1754 HydrophobicContact CG2-CD1 3.73Å; T1629-I1754 HydrophobicContact CG2-CG1 3.68Å |
| 1630 | I | 82.9 | Confident | 80.8 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77 | -19.5 | 176.9 | -56.9 | 158.5 | 0 | 0 | 0 | 112.2 | Y1626 L1627 S1628 V1636 L1653 L1657 K1730 V1732 I1754 | Y1626-I1630 WeakPolarHBondContact O-CD1 3.41Å; Y1626-I1630 VanDerWaalsContact O-CG1 3.27Å; Y1626-I1630 WeakPolarHBondContact O-CG1 3.35Å; Y1626-I1630 PolarHBondContact O-N 3.46Å; L1627-I1630 PolarHBondContact O-N 3.37Å; S1628-I1630 VanDerWaalsContact C-N 3.32Å; S1628-I1630 PolarHBondContact O-N 2.93Å; I1630-V1636 HydrophobicContact CB-CG2 4.47Å; I1630-V1636 HydrophobicContact CG1-CB 4.08Å; I1630-V1636 HydrophobicContact CG1-CG1 3.89Å; I1630-V1636 HydrophobicContact CG1-CG2 4.11Å; I1630-L1653 HydrophobicContact CD1-CD1 4.08Å; I1630-L1657 HydrophobicContact CB-CD1 4.04Å; I1630-L1657 HydrophobicContact CB-CD2 4.49Å; I1630-L1657 HydrophobicContact CD1-CD1 4.31Å; I1630-L1657 HydrophobicContact CG2-CD1 3.38Å; I1630-L1657 HydrophobicContact CG2-CD2 4.21Å; I1630-L1657 HydrophobicContact CG2-CG 4.45Å; I1630-K1730 WeakPolarHBondContact O-CD 3.39Å; I1630-K1730 WeakPolarHBondContact O-CE 3.25Å; I1630-V1732 HydrophobicContact CD1-CG1 4.36Å; I1630-V1732 HydrophobicContact CG2-CG2 3.71Å; I1630-I1754 HydrophobicContact CD1-CD1 4.47Å; I1630-I1754 HydrophobicContact CG1-CD1 4.29Å |
| 1631 | R | 79.7 | Confident | 80 | Confident | 93 Ų | 93 | 33.2 Ų | 33.2 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -76 | -42.6 | 171.2 | -76.5 | 171.6 | -168.8 | -147.5 | -3.2 | 112.4 | Q1605 L1627 S1628 T1629 N1633 L1657 K1730 | Q1605-R1631 VanDerWaalsContact OE1-NH1 3.08Å; L1627-R1631 WeakPolarHBondContact O-CB 3.46Å; L1627-R1631 VanDerWaalsContact O-CG 3.25Å; L1627-R1631 WeakPolarHBondContact O-CG 3.01Å; L1627-R1631 PolarHBondContact O-N 3.09Å; S1628-R1631 WeakPolarHBondContact O-CA 3.45Å; S1628-R1631 WeakPolarHBondContact O-CB 3.19Å; S1628-R1631 PolarHBondContact O-N 3.26Å; T1629-R1631 VanDerWaalsContact C-N 3.34Å; R1631-N1633 VanDerWaalsContact C-N 3.34Å; R1631-N1633 PolarHBondContact O-N 3.05Å; R1631-L1657 HydrophobicContact CG-CD2 3.97Å; R1631-K1730 WeakPolarHBondContact O-CE 3.35Å; R1631-K1730 PolarHBondContact O-NZ 3.41Å |
| 1632 | D | 78.2 | Confident | 79.1 | Confident | 122 Ų | 122 | 31.2 Ų | 31.2 | 65% | 0.652 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -81.8 | -10.9 | -171 | -56.7 | -21.7 | 0 | 0 | 0 | 113.7 | S1628 | S1628-D1632 PolarHBondContact O-N 3.4Å |
| 1633 | N | 76.6 | Confident | 78.1 | Confident | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | trans | -130.3 | 148 | -173.8 | -59.3 | -96.5 | 0 | 0 | 0 | 110.6 | T1629 R1631 V1636 K1730 K1752 | T1629-N1633 PolarHBondContact O-N 3.39Å; T1629-N1633 PolarHBondContact O-ND2 3.32Å; R1631-N1633 VanDerWaalsContact C-N 3.34Å; R1631-N1633 PolarHBondContact O-N 3.05Å; N1633-V1636 HydrophobicContact CB-CG2 3.87Å; N1633-K1730 WeakPolarHBondContact O-CE 3.49Å; N1633-K1752 HydrophobicContact CB-CB 4.46Å | ||
| 1634 | S | 71.2 | Confident | 77.3 | Confident | 62 Ų | 62 | 31 Ų | 31 | 43% | 0.434 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -81.4 | -29.2 | 177.6 | 51 | 0 | 0 | 0 | 0 | 113.1 | I1731 | S1634-I1731 PolarHBondContact O-N 2.93Š|
| 1635 | I | 75.6 | Confident | 76.6 | Confident | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121.5 | 179 | -47.5 | -177.4 | 0 | 0 | 0 | 109.3 | F1719 I1731 I1751 K1752 | I1635-F1719 HydrophobicContact CD1-CD1 3.88Å; I1635-F1719 HydrophobicContact CD1-CE1 4.36Å; I1635-F1719 HydrophobicContact CG2-CD1 4.33Å; I1635-F1719 HydrophobicContact CG2-CE1 3.82Å; I1635-F1719 HydrophobicContact CG2-CZ 4.45Å; I1635-I1731 WeakPolarHBondContact CA-O 3.14Å; I1635-I1731 HydrophobicContact CB-CB 4.49Å; I1635-I1731 HydrophobicContact CD1-CD1 4.29Å; I1635-I1731 HydrophobicContact CG1-CB 4.3Å; I1635-I1731 HydrophobicContact CG1-CD1 4.26Å; I1635-I1731 HydrophobicContact CG2-CB 4.13Å; I1635-I1731 HydrophobicContact CG2-CG2 4.27Å; I1635-I1751 HydrophobicContact CB-CG1 4.17Å; I1635-I1751 HydrophobicContact CB-CG2 4.35Å; I1635-I1751 HydrophobicContact CD1-CG1 4.38Å; I1635-I1751 HydrophobicContact CG2-CB 4.45Å; I1635-I1751 HydrophobicContact CG2-CG1 4.11Å; I1635-I1751 HydrophobicContact CG2-CG2 3.88Å; I1635-I1751 WeakPolarHBondContact O-CA 3.39Å; I1635-K1752 PolarHBondContact O-N 3.03Å |
| 1636 | V | 80.7 | Confident | 76.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.5 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | T1629 I1630 N1633 I1731 V1732 G1733 K1752 I1754 | T1629-V1636 HydrophobicContact CG2-CG1 4.16Å; T1629-V1636 HydrophobicContact CG2-CG2 4.14Å; I1630-V1636 HydrophobicContact CB-CG2 4.47Å; I1630-V1636 HydrophobicContact CG1-CB 4.08Å; I1630-V1636 HydrophobicContact CG1-CG1 3.89Å; I1630-V1636 HydrophobicContact CG1-CG2 4.11Å; N1633-V1636 HydrophobicContact CB-CG2 3.87Å; V1636-I1731 PolarHBondContact N-O 3.16Å; V1636-V1732 CarbonylContact O-C 3.6Å; V1636-V1732 WeakPolarHBondContact O-CA 3.26Å; V1636-G1733 PolarHBondContact O-N 2.82Å; V1636-K1752 WeakPolarHBondContact CA-O 3.08Å; V1636-K1752 HydrophobicContact CG2-CB 4.47Å; V1636-I1754 HydrophobicContact CG1-CD1 3.58Å; V1636-I1754 HydrophobicContact CG1-CG1 3.83Å |
| 1637 | I | 80.5 | Confident | 76.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.3 | 175.5 | -54.3 | 173.8 | 0 | 0 | 0 | 109.4 | Y1639 I1708 F1719 L1742 I1751 K1752 V1753 I1754 | I1637-Y1639 HydrophobicContact CB-CD2 4.33Å; I1637-Y1639 HydrophobicContact CB-CE2 3.61Å; I1637-Y1639 HydrophobicContact CG2-CD2 3.95Å; I1637-Y1639 HydrophobicContact CG2-CE2 3.35Å; I1637-Y1639 WeakPolarHBondContact O-CD2 3.24Å; I1637-I1708 HydrophobicContact CD1-CD1 4.33Å; I1637-I1708 HydrophobicContact CG1-CD1 4.37Å; I1637-I1708 HydrophobicContact CG2-CD1 4.17Å; I1637-F1719 HydrophobicContact CD1-CE2 4.33Å; I1637-F1719 HydrophobicContact CD1-CZ 3.99Å; I1637-L1742 HydrophobicContact CD1-CD2 4.44Å; I1637-I1751 HydrophobicContact CD1-CG2 3.91Å; I1637-I1751 HydrophobicContact CG1-CG2 4.08Å; I1637-K1752 PolarHBondContact N-O 2.83Å; I1637-V1753 WeakPolarHBondContact O-CA 3.41Å; I1637-I1754 PolarHBondContact O-N 2.9Å |
| 1638 | I | 82.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.1 | 178 | -49.3 | -166.3 | 0 | 0 | 0 | 109.7 | K1646 L1649 V1650 G1733 T1734 S1735 I1754 H1756 | I1638-K1646 HydrophobicContact CG2-CD 4.04Å; I1638-K1646 HydrophobicContact CG2-CG 4.16Å; I1638-L1649 HydrophobicContact CD1-CD2 4.49Å; I1638-V1650 HydrophobicContact CD1-CG2 3.65Å; I1638-V1650 HydrophobicContact CG1-CG2 4.16Å; I1638-G1733 PolarHBondContact N-O 3.28Å; I1638-T1734 WeakPolarHBondContact O-CA 3.5Å; I1638-S1735 PolarHBondContact O-N 2.89Å; I1638-I1754 CarbonylContact C-O 3.54Å; I1638-I1754 WeakPolarHBondContact CA-O 2.91Å; I1638-I1754 HydrophobicContact CG1-CB 4.26Å; I1638-I1754 HydrophobicContact CG1-CD1 4.38Å; I1638-I1754 HydrophobicContact CG2-CG2 4.24Å; I1638-H1756 HydrophobicContact CG2-CB 3.48Å; I1638-H1756 VanDerWaalsContact CG2-CB 3.48Å |
| 1639 | Y | 76.2 | Confident | 75.6 | Confident | 15 Ų | 15 | 28.9 Ų | 28.9 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 149.3 | 177.5 | -70.6 | -96.4 | 0 | 0 | 0 | 111.4 | I1637 S1735 L1742 L1746 V1753 I1754 H1756 | I1637-Y1639 HydrophobicContact CB-CD2 4.33Å; I1637-Y1639 HydrophobicContact CB-CE2 3.61Å; I1637-Y1639 HydrophobicContact CG2-CD2 3.95Å; I1637-Y1639 HydrophobicContact CG2-CE2 3.35Å; I1637-Y1639 WeakPolarHBondContact O-CD2 3.24Å; Y1639-S1735 WeakPolarHBondContact CA-O 3.01Å; Y1639-S1735 WeakPolarHBondContact CE1-OG 3.41Å; Y1639-L1742 HydrophobicContact CE1-CB 4.31Å; Y1639-L1742 HydrophobicContact CE1-CD1 4.12Å; Y1639-L1742 VanDerWaalsContact OH-CB 3.3Å; Y1639-L1742 WeakPolarHBondContact OH-CB 3.36Å; Y1639-L1742 WeakPolarHBondContact OH-CD1 3.32Å; Y1639-L1746 HydrophobicContact CE2-CD1 3.98Å; Y1639-L1746 WeakPolarHBondContact OH-CD1 3.5Å; Y1639-V1753 HydrophobicContact CD2-CB 4.24Å; Y1639-V1753 HydrophobicContact CD2-CG1 3.96Å; Y1639-V1753 HydrophobicContact CD2-CG2 3.66Å; Y1639-V1753 HydrophobicContact CE2-CB 4.38Å; Y1639-V1753 HydrophobicContact CE2-CG2 3.42Å; Y1639-V1753 VanDerWaalsContact CE2-CG2 3.42Å; Y1639-I1754 PolarHBondContact N-O 2.9Å; Y1639-H1756 WeakPolarHBondContact O-CB 3.5Å; Y1639-H1756 PolarHBondContact O-N 3.39Å |
| 1640 | G | 71.5 | Confident | 75.6 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | 173 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1646 S1735 T1737 | G1640-K1646 PolarHBondContact O-NZ 2.89Å; G1640-S1735 PolarHBondContact N-O 3.47Å; G1640-T1737 PolarHBondContact O-N 3.41Å |
| 1641 | A | 68.2 | Low | 75.4 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -56 | 157.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1644 K1646 I1838 | A1641-T1644 HydrophobicContact CB-CG2 4.13Å; A1641-T1644 PolarHBondContact O-OG1 3.5Å; A1641-K1646 PolarHBondContact O-NZ 3.3Å; A1641-I1838 HydrophobicContact CB-CB 4.17Å |
| 1642 | S | 64.8 | Low | 75.2 | Confident | 49 Ų | 49 | 27.1 Ų | 27.1 | 34% | 0.343 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 142.6 | -178.5 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | S1235 T1644 | S1235-S1642 PolarHBondContact O-OG 3.04Å; S1642-T1644 PolarHBondContact O-N 3.18Å |
| 1643 | G | 64.7 | Low | 75.3 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 31% | 0.309 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 1.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | G1645 | G1643-G1645 PolarHBondContact O-N 3.31Š|
| 1644 | T | 67.1 | Low | 75.4 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -75.2 | 27 | 177.8 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | A1641 S1642 K1646 H1756 L1757 I1841 | A1641-T1644 HydrophobicContact CB-CG2 4.13Å; A1641-T1644 PolarHBondContact O-OG1 3.5Å; S1642-T1644 PolarHBondContact O-N 3.18Å; T1644-K1646 PolarHBondContact O-N 2.86Å; T1644-K1646 PolarHBondContact OG1-NZ 2.96Å; T1644-H1756 PolarHBondContact O-NE2 3.04Å; T1644-L1757 HydrophobicContact CG2-CD1 4.44Å; T1644-I1841 HydrophobicContact CG2-CD1 4.01Å; T1644-I1841 HydrophobicContact CG2-CG1 4.46Å |
| 1645 | G | 71 | Confident | 75.5 | Confident | 34 Ų | 34 | 21.3 Ų | 21.3 | 35% | 0.351 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 70.8 | -4.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | G1643 S1647 Q1648 L1649 | G1643-G1645 PolarHBondContact O-N 3.31Å; G1645-S1647 VanDerWaalsContact C-N 3.32Å; G1645-S1647 PolarHBondContact O-N 3.43Å; G1645-Q1648 WeakPolarHBondContact O-CA 2.93Å; G1645-Q1648 WeakPolarHBondContact O-CB 3.11Å; G1645-Q1648 PolarHBondContact O-N 3.48Å; G1645-L1649 PolarHBondContact O-N 3.21Å |
| 1646 | K | 79.1 | Confident | 75.5 | Confident | 17 Ų | 17 | 20.7 Ų | 20.7 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -42.1 | -47.2 | -173.1 | -67.1 | -172.3 | -58.9 | -74.3 | 0 | 116.1 | I1638 G1640 A1641 T1644 Q1648 L1649 V1650 T1734 S1735 H1756 | I1638-K1646 HydrophobicContact CG2-CD 4.04Å; I1638-K1646 HydrophobicContact CG2-CG 4.16Å; G1640-K1646 PolarHBondContact O-NZ 2.89Å; A1641-K1646 PolarHBondContact O-NZ 3.3Å; T1644-K1646 PolarHBondContact O-N 2.86Å; T1644-K1646 PolarHBondContact OG1-NZ 2.96Å; K1646-Q1648 VanDerWaalsContact C-N 3.33Å; K1646-Q1648 PolarHBondContact O-N 3.36Å; K1646-L1649 WeakPolarHBondContact O-CB 3.4Å; K1646-L1649 PolarHBondContact O-N 2.91Å; K1646-V1650 PolarHBondContact O-N 3.46Å; K1646-T1734 HydrophobicContact CB-CG2 4.06Å; K1646-S1735 WeakPolarHBondContact CE-O 3.4Å; K1646-H1756 HydrophobicContact CD-CB 4.44Å; K1646-H1756 HydrophobicContact CG-CB 4.4Å; K1646-H1756 VanDerWaalsContact CG-CD2 3.41Å; K1646-H1756 WeakPolarHBondContact CG-CD2 3.19Å |
| 1647 | S | 78.4 | Confident | 75.1 | Confident | 35 Ų | 35 | 21.6 Ų | 21.6 | 25% | 0.245 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70 | -30.3 | -177.4 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | G1645 N1651 N1707 T1734 | G1645-S1647 VanDerWaalsContact C-N 3.32Å; G1645-S1647 PolarHBondContact O-N 3.43Å; S1647-N1651 VanDerWaalsContact O-CG 3.24Å; S1647-N1651 PolarHBondContact O-N 2.8Å; S1647-N1651 PolarHBondContact O-ND2 3.48Å; S1647-N1651 PolarHBondContact O-OD1 2.78Å; S1647-N1707 PolarHBondContact OG-OD1 3.06Å; S1647-T1734 PolarHBondContact OG-OG1 3.39Å |
| 1648 | Q | 75.3 | Confident | 74.7 | Confident | 62 Ų | 62 | 22 Ų | 22 | 29% | 0.29 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -72.8 | -42.2 | 170.6 | -175.2 | 54.8 | 49.5 | 0 | 0 | 111.1 | G1645 K1646 V1650 N1651 D1652 | G1645-Q1648 WeakPolarHBondContact O-CA 2.93Å; G1645-Q1648 WeakPolarHBondContact O-CB 3.11Å; G1645-Q1648 PolarHBondContact O-N 3.48Å; K1646-Q1648 VanDerWaalsContact C-N 3.33Å; K1646-Q1648 PolarHBondContact O-N 3.36Å; Q1648-V1650 VanDerWaalsContact C-N 3.35Å; Q1648-V1650 PolarHBondContact O-N 3.39Å; Q1648-N1651 WeakPolarHBondContact O-CB 3.45Å; Q1648-N1651 PolarHBondContact O-N 3.24Å; Q1648-D1652 PolarHBondContact NE2-OD1 2.96Å; Q1648-D1652 PolarHBondContact NE2-OD2 3.35Å; Q1648-D1652 PolarHBondContact O-N 3.18Å |
| 1649 | L | 81.7 | Confident | 73.6 | Confident | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 175.8 | 177 | 63.4 | 0 | 0 | 0 | 112.1 | V1612 I1618 L1623 Y1626 I1638 G1645 K1646 D1652 L1653 | V1612-L1649 HydrophobicContact CG1-CD1 4.48Å; I1618-L1649 HydrophobicContact CD1-CD1 3.87Å; I1618-L1649 HydrophobicContact CD1-CD2 3.79Å; I1618-L1649 HydrophobicContact CD1-CG 4.34Å; L1623-L1649 HydrophobicContact CD2-CD1 3.53Å; Y1626-L1649 HydrophobicContact CD2-CD2 4.15Å; Y1626-L1649 HydrophobicContact CE2-CD2 4.11Å; I1638-L1649 HydrophobicContact CD1-CD2 4.49Å; G1645-L1649 PolarHBondContact O-N 3.21Å; K1646-L1649 WeakPolarHBondContact O-CB 3.4Å; K1646-L1649 PolarHBondContact O-N 2.91Å; L1649-D1652 PolarHBondContact O-N 3.02Å; L1649-L1653 HydrophobicContact CD1-CD1 3.82Å; L1649-L1653 HydrophobicContact CD1-CD2 4.35Å; L1649-L1653 HydrophobicContact CD1-CG 3.79Å; L1649-L1653 HydrophobicContact CD2-CD1 4.49Å; L1649-L1653 HydrophobicContact CG-CD1 3.85Å; L1649-L1653 HydrophobicContact CG-CG 4.21Å; L1649-L1653 WeakPolarHBondContact O-CB 3.42Å; L1649-L1653 VanDerWaalsContact O-CG 3.28Å; L1649-L1653 WeakPolarHBondContact O-CG 3.28Å; L1649-L1653 PolarHBondContact O-N 3.48Å |
| 1650 | V | 82.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 174.6 | 165.2 | 0 | 0 | 0 | 0 | 111.2 | I1638 K1646 Q1648 D1652 T1654 N1704 L1706 V1732 T1734 | I1638-V1650 HydrophobicContact CD1-CG2 3.65Å; I1638-V1650 HydrophobicContact CG1-CG2 4.16Å; K1646-V1650 PolarHBondContact O-N 3.46Å; Q1648-V1650 VanDerWaalsContact C-N 3.35Å; Q1648-V1650 PolarHBondContact O-N 3.39Å; V1650-D1652 VanDerWaalsContact C-N 3.32Å; V1650-D1652 PolarHBondContact O-N 3.26Å; V1650-T1654 WeakPolarHBondContact O-CB 3.36Å; V1650-T1654 PolarHBondContact O-N 3.4Å; V1650-T1654 PolarHBondContact O-OG1 3.39Å; V1650-N1704 HydrophobicContact CG1-CB 3.99Å; V1650-N1704 WeakPolarHBondContact CG1-OD1 3.32Å; V1650-L1706 HydrophobicContact CB-CD2 4.25Å; V1650-L1706 HydrophobicContact CG1-CD2 4.01Å; V1650-V1732 HydrophobicContact CB-CG1 4.32Å; V1650-V1732 HydrophobicContact CG1-CB 4.12Å; V1650-V1732 HydrophobicContact CG1-CG1 3.73Å; V1650-V1732 HydrophobicContact CG2-CG1 3.73Å; V1650-T1734 HydrophobicContact CB-CG2 4.1Å; V1650-T1734 HydrophobicContact CG2-CG2 3.4Å |
| 1651 | N | 79 | Confident | 71.9 | Confident | 39 Ų | 39 | 31.2 Ų | 31.2 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 177.4 | -68.6 | -13.5 | 0 | 0 | 0 | 112.1 | S1647 Q1648 K1655 | S1647-N1651 VanDerWaalsContact O-CG 3.24Å; S1647-N1651 PolarHBondContact O-N 2.8Å; S1647-N1651 PolarHBondContact O-ND2 3.48Å; S1647-N1651 PolarHBondContact O-OD1 2.78Å; Q1648-N1651 WeakPolarHBondContact O-CB 3.45Å; Q1648-N1651 PolarHBondContact O-N 3.24Å; N1651-K1655 WeakPolarHBondContact O-CG 3.36Å; N1651-K1655 PolarHBondContact O-N 3.48Å |
| 1652 | D | 74.4 | Confident | 71 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -79.8 | -33.1 | -176.9 | -64.5 | -30.7 | 0 | 0 | 0 | 113.7 | R1452 V1612 Q1648 L1649 V1650 K1655 | R1452-D1652 IonicContact NH1-OD2 3.13Å; V1612-D1652 HydrophobicContact CG1-CB 4.17Å; V1612-D1652 HydrophobicContact CG2-CB 3.96Å; Q1648-D1652 PolarHBondContact NE2-OD1 2.96Å; Q1648-D1652 PolarHBondContact NE2-OD2 3.35Å; Q1648-D1652 PolarHBondContact O-N 3.18Å; L1649-D1652 PolarHBondContact O-N 3.02Å; V1650-D1652 VanDerWaalsContact C-N 3.32Å; V1650-D1652 PolarHBondContact O-N 3.26Å; D1652-K1655 IonicContact OD1-NZ 2.77Å; D1652-K1655 PolarHBondContact OD1-NZ 3.29Å |
| 1653 | L | 81.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 169.4 | -70.6 | 178.7 | 0 | 0 | 0 | 111.3 | L1609 L1623 L1627 I1630 L1649 K1655 I1656 L1657 | L1609-L1653 HydrophobicContact CD1-CD2 4.14Å; L1623-L1653 HydrophobicContact CD2-CD2 4.45Å; L1627-L1653 HydrophobicContact CD2-CB 4.35Å; L1627-L1653 HydrophobicContact CD2-CD2 3.89Å; L1627-L1653 HydrophobicContact CG-CD2 3.95Å; I1630-L1653 HydrophobicContact CD1-CD1 4.08Å; L1649-L1653 HydrophobicContact CD1-CD1 3.82Å; L1649-L1653 HydrophobicContact CD1-CD2 4.35Å; L1649-L1653 HydrophobicContact CD1-CG 3.79Å; L1649-L1653 HydrophobicContact CD2-CD1 4.49Å; L1649-L1653 HydrophobicContact CG-CD1 3.85Å; L1649-L1653 HydrophobicContact CG-CG 4.21Å; L1649-L1653 WeakPolarHBondContact O-CB 3.42Å; L1649-L1653 VanDerWaalsContact O-CG 3.28Å; L1649-L1653 WeakPolarHBondContact O-CG 3.28Å; L1649-L1653 PolarHBondContact O-N 3.48Å; L1653-K1655 VanDerWaalsContact C-N 3.35Å; L1653-K1655 PolarHBondContact O-N 3.34Å; L1653-I1656 PolarHBondContact O-N 3.41Å; L1653-L1657 WeakPolarHBondContact O-CG 3.21Å; L1653-L1657 PolarHBondContact O-N 3.27Å |
| 1654 | T | 77 | Confident | 69.8 | Low | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | 178.5 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | V1650 I1656 L1657 V1658 V1667 V1702 N1704 | V1650-T1654 WeakPolarHBondContact O-CB 3.36Å; V1650-T1654 PolarHBondContact O-N 3.4Å; V1650-T1654 PolarHBondContact O-OG1 3.39Å; T1654-I1656 PolarHBondContact O-N 2.97Å; T1654-L1657 PolarHBondContact O-N 3.44Å; T1654-V1658 PolarHBondContact O-N 3.25Å; T1654-V1667 HydrophobicContact CG2-CB 4.22Å; T1654-V1667 HydrophobicContact CG2-CG1 3.53Å; T1654-V1667 HydrophobicContact CG2-CG2 3.6Å; T1654-V1702 HydrophobicContact CG2-CB 3.65Å; T1654-V1702 HydrophobicContact CG2-CG1 3.56Å; T1654-V1702 HydrophobicContact CG2-CG2 4.07Å; T1654-N1704 PolarHBondContact OG1-OD1 3.45Å |
| 1655 | K | 74.4 | Confident | 69.2 | Low | 102 Ų | 102 | 44.1 Ų | 44.1 | 44% | 0.443 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.6 | -31.5 | 169.2 | -69.6 | 168.4 | -169.5 | 167.6 | 0 | 113.2 | N1651 D1652 L1653 | N1651-K1655 WeakPolarHBondContact O-CG 3.36Å; N1651-K1655 PolarHBondContact O-N 3.48Å; D1652-K1655 IonicContact OD1-NZ 2.77Å; D1652-K1655 PolarHBondContact OD1-NZ 3.29Å; L1653-K1655 VanDerWaalsContact C-N 3.35Å; L1653-K1655 PolarHBondContact O-N 3.34Å |
| 1656 | I | 74.6 | Confident | 68.7 | Low | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -85.8 | -22.9 | 179.3 | -62.6 | 172.7 | 0 | 0 | 0 | 112.4 | Q1605 M1608 L1609 V1612 L1627 L1653 T1654 | Q1605-I1656 HydrophobicContact CB-CG2 4.3Å; Q1605-I1656 HydrophobicContact CG-CG2 4.26Å; M1608-I1656 HydrophobicContact CB-CD1 3.98Å; M1608-I1656 HydrophobicContact CB-CG1 3.95Å; L1609-I1656 HydrophobicContact CD1-CD1 4.16Å; V1612-I1656 HydrophobicContact CB-CD1 4.28Å; V1612-I1656 HydrophobicContact CG2-CD1 3.62Å; L1627-I1656 HydrophobicContact CD1-CG2 3.86Å; L1653-I1656 PolarHBondContact O-N 3.41Å; T1654-I1656 PolarHBondContact O-N 2.97Å |
| 1657 | L | 73.5 | Confident | 68 | Low | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -80.8 | -29.2 | -179.5 | -76.4 | 159.6 | 0 | 0 | 0 | 113.3 | L1627 I1630 R1631 L1653 T1654 V1702 | L1627-L1657 HydrophobicContact CD2-CD1 4.12Å; L1627-L1657 HydrophobicContact CD2-CD2 3.9Å; L1627-L1657 HydrophobicContact CD2-CG 3.75Å; I1630-L1657 HydrophobicContact CB-CD1 4.04Å; I1630-L1657 HydrophobicContact CB-CD2 4.49Å; I1630-L1657 HydrophobicContact CD1-CD1 4.31Å; I1630-L1657 HydrophobicContact CG2-CD1 3.38Å; I1630-L1657 HydrophobicContact CG2-CD2 4.21Å; I1630-L1657 HydrophobicContact CG2-CG 4.45Å; R1631-L1657 HydrophobicContact CG-CD2 3.97Å; L1653-L1657 WeakPolarHBondContact O-CG 3.21Å; L1653-L1657 PolarHBondContact O-N 3.27Å; T1654-L1657 PolarHBondContact O-N 3.44Å; L1657-V1702 HydrophobicContact CB-CG2 4.43Å |
| 1658 | V | 71.7 | Confident | 67.6 | Low | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | trans | -72.3 | 137.4 | -179.6 | 162.7 | 0 | 0 | 0 | 0 | 111.8 | T1654 N1660 T1666 V1667 E1701 V1702 | T1654-V1658 PolarHBondContact O-N 3.25Å; V1658-N1660 VanDerWaalsContact CG1-C 3.4Å; V1658-N1660 WeakPolarHBondContact CG1-O 3.35Å; V1658-T1666 HydrophobicContact CG1-CG2 4.06Å; V1658-V1667 HydrophobicContact CG2-CG2 3.64Å; V1658-E1701 WeakPolarHBondContact CA-OE2 3.41Å; V1658-E1701 WeakPolarHBondContact CG1-OE2 3.18Å; V1658-E1701 HydrophobicContact CG2-CB 4.41Å; V1658-V1702 HydrophobicContact CG2-CG2 4.01Å | ||
| 1659 | T | 60 | Low | 67.5 | Low | 73 Ų | 73 | 46.9 Ų | 46.9 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -82.6 | -24.4 | 179 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | E1701 | T1659-E1701 WeakPolarHBondContact CG2-OE1 3.32Å; T1659-E1701 PolarHBondContact N-OE1 3.47Å; T1659-E1701 PolarHBondContact N-OE2 3.03Å; T1659-E1701 PolarHBondContact OG1-OE1 3.32Å; T1659-E1701 PolarHBondContact OG1-OE2 3.43Å |
| 1660 | N | 56.7 | Low | 66.9 | Low | 84 Ų | 84 | 47.7 Ų | 47.7 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | trans | -128.7 | 99.4 | 171.7 | -87.8 | -71.6 | 0 | 0 | 0 | 112 | V1658 H1662 S1663 T1666 | V1658-N1660 VanDerWaalsContact CG1-C 3.4Å; V1658-N1660 WeakPolarHBondContact CG1-O 3.35Å; N1660-H1662 PolarHBondContact O-N 2.8Å; N1660-S1663 PolarHBondContact O-OG 3.24Å; N1660-S1663 VanDerWaalsContact O-OG 3.07Å; N1660-T1666 PolarHBondContact O-OG1 3.06Å; N1660-T1666 VanDerWaalsContact O-OG1 3.06Å | ||
| 1661 | P | 54.5 | Low | 66.5 | Low | 53 Ų | 53 | 55.8 Ų | 55.8 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4.1 | -176.4 | 33.1 | -38.1 | 0 | 0 | 0 | 113.9 | M1587 | M1587-P1661 HydrophobicContact CB-CG 4.36Å; M1587-P1661 HydrophobicContact CE-CG 3.98Å; M1587-P1661 HydrophobicContact CG-CG 4.36Å; M1587-P1661 HydrophobicContact SD-CB 3.7Å; M1587-P1661 HydrophobicContact SD-CG 3.51Å; M1587-P1661 VanDerWaalsContact SD-CG 3.51Å |
| 1662 | H | 50.2 | Low | 65.9 | Low | 70 Ų | 70 | 54 Ų | 54 | 32% | 0.324 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -8 | -174.3 | -64.4 | -45.2 | 0 | 0 | 0 | 114.6 | N1660 K1664 | N1660-H1662 PolarHBondContact O-N 2.8Å; H1662-K1664 PolarHBondContact O-N 2.94Å |
| 1663 | S | 55.3 | Low | 65.6 | Low | 53 Ų | 53 | 57.7 Ų | 57.7 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -75.4 | 117.3 | 168.6 | 42.9 | 0 | 0 | 0 | 0 | 109.6 | N1660 N1665 T1666 | N1660-S1663 PolarHBondContact O-OG 3.24Å; N1660-S1663 VanDerWaalsContact O-OG 3.07Å; S1663-N1665 PolarHBondContact O-N 3.48Å; S1663-N1665 VanDerWaalsContact O-N 3.16Å; S1663-T1666 PolarHBondContact O-N 3.44Å; S1663-T1666 PolarHBondContact O-OG1 3.31Å; S1663-T1666 VanDerWaalsContact O-OG1 3.08Å; S1663-T1666 WeakPolarHBondContact OG-CG2 3.42Å; S1663-T1666 PolarHBondContact OG-OG1 3.41Å |
| 1664 | K | 49.3 | Very low | 64.6 | Low | 137 Ų | 137 | 63.5 Ų | 63.5 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 126 | 163.7 | -69.4 | -167.9 | 174.7 | -167.3 | 0 | 107.3 | S1443 D1445 H1662 | S1443-K1664 PolarHBondContact OG-NZ 3.06Å; D1445-K1664 WeakPolarHBondContact OD2-CE 3.43Å; D1445-K1664 IonicContact OD2-NZ 2.63Å; D1445-K1664 PolarHBondContact OD2-NZ 3.36Å; H1662-K1664 PolarHBondContact O-N 2.94Å |
| 1665 | N | 53.5 | Low | 63.3 | Low | 96 Ų | 96 | 68.4 Ų | 68.4 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 15.8 | 176.7 | -44.1 | -11.9 | 0 | 0 | 0 | 119.1 | S1663 V1667 F1694 | S1663-N1665 PolarHBondContact O-N 3.48Å; S1663-N1665 VanDerWaalsContact O-N 3.16Å; N1665-V1667 PolarHBondContact O-N 3.02Å; N1665-F1694 HydrophobicContact CB-CE1 3.53Å; N1665-F1694 HydrophobicContact CB-CZ 3.44Å; N1665-F1694 VanDerWaalsContact CB-CZ 3.44Å; N1665-F1694 WeakPolarHBondContact ND2-CE1 3.13Å; N1665-F1694 WeakPolarHBondContact ND2-CZ 3.31Å |
| 1666 | T | 61.4 | Low | 62.5 | Low | 28 Ų | 28 | 64 Ų | 64 | 17% | 0.172 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -67.7 | -21 | 167.5 | 17.3 | 0 | 0 | 0 | 0 | 114.1 | V1658 N1660 S1663 E1701 V1702 | V1658-T1666 HydrophobicContact CG1-CG2 4.06Å; N1660-T1666 PolarHBondContact O-OG1 3.06Å; N1660-T1666 VanDerWaalsContact O-OG1 3.06Å; S1663-T1666 PolarHBondContact O-N 3.44Å; S1663-T1666 PolarHBondContact O-OG1 3.31Å; S1663-T1666 VanDerWaalsContact O-OG1 3.08Å; S1663-T1666 WeakPolarHBondContact OG-CG2 3.42Å; S1663-T1666 PolarHBondContact OG-OG1 3.41Å; T1666-E1701 HydrophobicContact CG2-CB 4.44Å; T1666-E1701 PolarHBondContact O-N 3.21Å; T1666-V1702 PolarHBondContact O-N 3.42Å |
| 1667 | V | 64.4 | Low | 61.6 | Low | 45 Ų | 45 | 66 Ų | 66 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.7 | 179.4 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | T1654 V1658 N1665 V1702 | T1654-V1667 HydrophobicContact CG2-CB 4.22Å; T1654-V1667 HydrophobicContact CG2-CG1 3.53Å; T1654-V1667 HydrophobicContact CG2-CG2 3.6Å; V1658-V1667 HydrophobicContact CG2-CG2 3.64Å; N1665-V1667 PolarHBondContact O-N 3.02Å; V1667-V1702 WeakPolarHBondContact CA-O 3.37Å |
| 1668 | Y | 68.8 | Low | 61 | Low | 47 Ų | 47 | 65.5 Ų | 65.5 | 18% | 0.184 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.6 | 173 | -171.2 | -102.8 | 0 | 0 | 0 | 111.5 | F1670 V1686 L1687 Q1690 V1702 I1703 N1704 | Y1668-F1670 HydrophobicContact CE1-CB 3.99Å; Y1668-F1670 HydrophobicContact CE1-CD2 4.28Å; Y1668-V1686 HydrophobicContact CE1-CG1 4.2Å; Y1668-V1686 WeakPolarHBondContact OH-CG1 3.44Å; Y1668-L1687 HydrophobicContact CD1-CD2 4.09Å; Y1668-L1687 HydrophobicContact CE1-CD2 4.28Å; Y1668-Q1690 HydrophobicContact CD2-CG 4.22Å; Y1668-Q1690 HydrophobicContact CE2-CG 3.82Å; Y1668-V1702 PolarHBondContact N-O 3.31Å; Y1668-I1703 HydrophobicContact CD1-CG2 4.39Å; Y1668-I1703 CarbonylContact O-C 3.5Å; Y1668-I1703 WeakPolarHBondContact O-CA 3.49Å; Y1668-N1704 PolarHBondContact O-N 3.2Å |
| 1669 | N | 74.2 | Confident | 60.3 | Low | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.7 | -179.8 | -69.5 | -51.5 | 0 | 0 | 0 | 111.1 | N1704 | N1669-N1704 WeakPolarHBondContact OD1-CB 3.32Å; N1669-N1704 PolarHBondContact OD1-ND2 3.34Å |
| 1670 | F | 68.3 | Low | 60.3 | Low | 23 Ų | 23 | 66.7 Ų | 66.7 | 10% | 0.101 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.8 | 170.2 | -167.6 | -93.3 | 0 | 0 | 0 | 110.2 | Y1668 F1672 T1678 L1683 V1686 N1704 L1705 L1706 | Y1668-F1670 HydrophobicContact CE1-CB 3.99Å; Y1668-F1670 HydrophobicContact CE1-CD2 4.28Å; F1670-F1672 HydrophobicContact CD1-CD2 4.17Å; F1670-F1672 HydrophobicContact CD1-CE2 4.09Å; F1670-F1672 HydrophobicContact CD1-CG 4.49Å; F1670-F1672 HydrophobicContact CD1-CZ 4.35Å; F1670-F1672 HydrophobicContact CE1-CD1 4.1Å; F1670-F1672 HydrophobicContact CE1-CD2 4.33Å; F1670-F1672 HydrophobicContact CE1-CE1 4.12Å; F1670-F1672 HydrophobicContact CE1-CE2 4.35Å; F1670-F1672 HydrophobicContact CE1-CG 4.21Å; F1670-F1672 HydrophobicContact CE1-CZ 4.26Å; F1670-T1678 HydrophobicContact CZ-CG2 4.41Å; F1670-L1683 HydrophobicContact CD1-CD1 3.82Å; F1670-L1683 HydrophobicContact CD1-CG 4.16Å; F1670-L1683 HydrophobicContact CE1-CB 4.49Å; F1670-L1683 HydrophobicContact CE1-CD1 3.53Å; F1670-L1683 HydrophobicContact CE1-CG 3.87Å; F1670-L1683 HydrophobicContact CE2-CG 4.23Å; F1670-L1683 HydrophobicContact CG-CG 4.48Å; F1670-L1683 HydrophobicContact CZ-CB 4.16Å; F1670-L1683 HydrophobicContact CZ-CD1 4.04Å; F1670-L1683 HydrophobicContact CZ-CG 3.9Å; F1670-V1686 HydrophobicContact CD2-CG1 4.38Å; F1670-V1686 HydrophobicContact CE2-CG1 4.45Å; F1670-N1704 PolarHBondContact N-O 3.36Å; F1670-L1705 HydrophobicContact CB-CD2 3.99Å; F1670-L1705 HydrophobicContact CD1-CD2 4.42Å; F1670-L1706 PolarHBondContact O-N 3.11Å |
| 1671 | R | 72.7 | Confident | 60.5 | Low | 170 Ų | 170 | 71 Ų | 71 | 64% | 0.642 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118 | 177.2 | -172.7 | -174.3 | -67.6 | 176.7 | -0.2 | 109.4 | L1706 | R1671-L1706 HydrophobicContact CB-CB 4.42Å; R1671-L1706 HydrophobicContact CG-CB 4.38Å |
| 1672 | F | 68.3 | Low | 60.9 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | trans | -66.6 | 133.7 | 173.5 | -70 | -93.1 | 0 | 0 | 0 | 110 | F1670 L1683 L1705 L1706 N1707 I1708 F1711 | F1670-F1672 HydrophobicContact CD1-CD2 4.17Å; F1670-F1672 HydrophobicContact CD1-CE2 4.09Å; F1670-F1672 HydrophobicContact CD1-CG 4.49Å; F1670-F1672 HydrophobicContact CD1-CZ 4.35Å; F1670-F1672 HydrophobicContact CE1-CD1 4.1Å; F1670-F1672 HydrophobicContact CE1-CD2 4.33Å; F1670-F1672 HydrophobicContact CE1-CE1 4.12Å; F1670-F1672 HydrophobicContact CE1-CE2 4.35Å; F1670-F1672 HydrophobicContact CE1-CG 4.21Å; F1670-F1672 HydrophobicContact CE1-CZ 4.26Å; F1672-L1683 HydrophobicContact CE1-CD1 3.52Å; F1672-L1683 HydrophobicContact CE2-CD1 4.18Å; F1672-L1683 HydrophobicContact CZ-CD1 3.27Å; F1672-L1705 HydrophobicContact CE2-CB 4.25Å; F1672-L1705 HydrophobicContact CE2-CD2 4.41Å; F1672-L1706 WeakPolarHBondContact CD2-O 3.19Å; F1672-L1706 PolarHBondContact N-O 3.48Å; F1672-N1707 WeakPolarHBondContact CB-O 3.23Å; F1672-I1708 HydrophobicContact CD2-CG1 4.24Å; F1672-I1708 HydrophobicContact CE2-CG1 3.87Å; F1672-F1711 HydrophobicContact CD1-CB 3.96Å; F1672-F1711 HydrophobicContact CD1-CD2 4.26Å; F1672-F1711 HydrophobicContact CE1-CB 3.86Å; F1672-F1711 AromaticContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CE2 4.5Å; F1672-F1711 HydrophobicContact CE1-CG 4.03Å | ||
| 1673 | K | 66.8 | Low | 61.6 | Low | 105 Ų | 105 | 68.6 Ų | 68.6 | 46% | 0.457 | 34% | 0.341 | S | S | . | . | trans | -74.7 | 145.1 | -179.2 | -64.7 | 172.3 | -179.1 | 166.6 | 0 | 110.4 | D1675 G1676 S1677 T1678 H1710 | K1673-D1675 VanDerWaalsContact C-N 3.25Å; K1673-D1675 WeakPolarHBondContact CB-OD1 3.46Å; K1673-D1675 PolarHBondContact O-N 3.26Å; K1673-G1676 PolarHBondContact O-N 3.36Å; K1673-S1677 WeakPolarHBondContact CD-OG 3.48Å; K1673-T1678 HydrophobicContact CB-CG2 3.95Å; K1673-T1678 HydrophobicContact CD-CG2 3.9Å; K1673-T1678 HydrophobicContact CG-CG2 3.74Å; K1673-H1710 VanDerWaalsContact O-CB 3.23Å; K1673-H1710 WeakPolarHBondContact O-CB 3.42Å | ||
| 1674 | H | 60.7 | Low | 61.9 | Low | 123 Ų | 123 | 72.1 Ų | 72.1 | 57% | 0.569 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12.3 | -174 | -68 | -63.6 | 0 | 0 | 0 | 114.9 | G1676 N1707 H1710 | H1674-G1676 VanDerWaalsContact C-N 3.34Å; H1674-N1707 PolarHBondContact CE1-ND2 3.45Å; H1674-H1710 AromaticContact CE1-CD2 3.97Å; H1674-H1710 AromaticContact CE1-NE2 3.57Å; H1674-H1710 AromaticContact ND1-CD2 3.35Å; H1674-H1710 PolarHBondContact ND1-CD2 2.83Å; H1674-H1710 AromaticContact ND1-CE1 3.34Å; H1674-H1710 PolarHBondContact ND1-CE1 3.5Å; H1674-H1710 VanDerWaalsContact ND1-CE1 3.34Å; H1674-H1710 AromaticContact ND1-CG 3.89Å; H1674-H1710 AromaticContact ND1-ND1 3.86Å; H1674-H1710 AromaticContact ND1-NE2 2.95Å; H1674-H1710 PolarHBondContact ND1-NE2 3.33Å |
| 1675 | D | 49.8 | Very low | 62.5 | Low | 104 Ų | 104 | 68.6 Ų | 68.6 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.4 | 173.8 | 60.8 | -5.2 | 0 | 0 | 0 | 113.3 | K1673 S1677 | K1673-D1675 VanDerWaalsContact C-N 3.25Å; K1673-D1675 WeakPolarHBondContact CB-OD1 3.46Å; K1673-D1675 PolarHBondContact O-N 3.26Å; D1675-S1677 VanDerWaalsContact C-N 3.31Å; D1675-S1677 PolarHBondContact OD1-N 3.24Å; D1675-S1677 PolarHBondContact OD1-OG 3Å; D1675-S1677 WeakPolarHBondContact OD2-CB 3.31Å; D1675-S1677 PolarHBondContact OD2-OG 2.91Å |
| 1676 | G | 57.4 | Low | 62.9 | Low | 9 Ų | 9 | 65.9 Ų | 65.9 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 75.6 | 11.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | K1673 H1674 T1678 H1710 | K1673-G1676 PolarHBondContact O-N 3.36Å; H1674-G1676 VanDerWaalsContact C-N 3.34Å; G1676-T1678 VanDerWaalsContact C-N 3.27Å; G1676-T1678 PolarHBondContact O-N 3.43Å; G1676-H1710 VanDerWaalsContact CA-O 3.3Å; G1676-H1710 WeakPolarHBondContact CA-O 3.29Å |
| 1677 | S | 56.2 | Low | 63.1 | Low | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | trans | -69.7 | -22.6 | -177.9 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | K1673 D1675 T1679 | K1673-S1677 WeakPolarHBondContact CD-OG 3.48Å; D1675-S1677 VanDerWaalsContact C-N 3.31Å; D1675-S1677 PolarHBondContact OD1-N 3.24Å; D1675-S1677 PolarHBondContact OD1-OG 3Å; D1675-S1677 WeakPolarHBondContact OD2-CB 3.31Å; D1675-S1677 PolarHBondContact OD2-OG 2.91Å; S1677-T1679 WeakPolarHBondContact O-CG2 3.4Å; S1677-T1679 PolarHBondContact O-N 2.85Å | ||
| 1678 | T | 60.1 | Low | 62.8 | Low | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | trans | -63.4 | 106.3 | -176.6 | 46.1 | 0 | 0 | 0 | 0 | 112.4 | F1670 K1673 G1676 E1682 | F1670-T1678 HydrophobicContact CZ-CG2 4.41Å; K1673-T1678 HydrophobicContact CB-CG2 3.95Å; K1673-T1678 HydrophobicContact CD-CG2 3.9Å; K1673-T1678 HydrophobicContact CG-CG2 3.74Å; G1676-T1678 VanDerWaalsContact C-N 3.27Å; G1676-T1678 PolarHBondContact O-N 3.43Å; T1678-E1682 WeakPolarHBondContact CA-OE2 3.39Å | ||
| 1679 | T | 58.9 | Low | 62.4 | Low | 68 Ų | 68 | 69.9 Ų | 69.9 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | trans | -84.9 | 157.6 | -178.7 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | S1677 K1681 E1682 L1683 | S1677-T1679 WeakPolarHBondContact O-CG2 3.4Å; S1677-T1679 PolarHBondContact O-N 2.85Å; T1679-K1681 PolarHBondContact O-N 2.95Å; T1679-K1681 VanDerWaalsContact O-N 3.17Å; T1679-K1681 PolarHBondContact OG1-N 3.44Å; T1679-E1682 PolarHBondContact N-OE2 2.95Å; T1679-E1682 PolarHBondContact O-N 3.42Å; T1679-E1682 PolarHBondContact OG1-N 3.43Å; T1679-E1682 VanDerWaalsContact OG1-N 3.1Å; T1679-E1682 PolarHBondContact OG1-OE2 3.23Å; T1679-E1682 VanDerWaalsContact OG1-OE2 3.11Å; T1679-L1683 PolarHBondContact O-N 3.15Å; T1679-L1683 VanDerWaalsContact O-N 3.08Å | ||
| 1680 | V | 59.9 | Low | 61.3 | Low | 39 Ų | 39 | 68.6 Ų | 68.6 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.6 | -30.1 | 167.7 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | K1684 F1711 | V1680-K1684 WeakPolarHBondContact O-CB 3.29Å; V1680-K1684 PolarHBondContact O-N 3.29Å; V1680-F1711 HydrophobicContact CG2-CE2 3.58Å; V1680-F1711 HydrophobicContact CG2-CZ 3.43Å; V1680-F1711 VanDerWaalsContact CG2-CZ 3.43Å |
| 1681 | K | 59.9 | Low | 60.6 | Low | 176 Ų | 176 | 69 Ų | 69 | 77% | 0.765 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.8 | -43.1 | 178.4 | -71 | -174.4 | 178.6 | -179.7 | 0 | 112.3 | T1679 S1685 | T1679-K1681 PolarHBondContact O-N 2.95Å; T1679-K1681 VanDerWaalsContact O-N 3.17Å; T1679-K1681 PolarHBondContact OG1-N 3.44Å; K1681-S1685 WeakPolarHBondContact O-CB 3.34Å; K1681-S1685 PolarHBondContact O-N 3.21Å; K1681-S1685 PolarHBondContact O-OG 3.07Å |
| 1682 | E | 62.9 | Low | 59.5 | Low | 68 Ų | 68 | 65.8 Ų | 65.8 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 172.8 | -75.8 | 164.2 | 109.3 | 0 | 0 | 111.2 | T1678 T1679 K1684 S1685 V1686 | T1678-E1682 WeakPolarHBondContact CA-OE2 3.39Å; T1679-E1682 PolarHBondContact N-OE2 2.95Å; T1679-E1682 PolarHBondContact O-N 3.42Å; T1679-E1682 PolarHBondContact OG1-N 3.43Å; T1679-E1682 VanDerWaalsContact OG1-N 3.1Å; T1679-E1682 PolarHBondContact OG1-OE2 3.23Å; T1679-E1682 VanDerWaalsContact OG1-OE2 3.11Å; E1682-K1684 VanDerWaalsContact C-N 3.26Å; E1682-K1684 PolarHBondContact O-N 3.3Å; E1682-S1685 WeakPolarHBondContact CA-OG 3.39Å; E1682-S1685 PolarHBondContact O-N 2.91Å; E1682-S1685 VanDerWaalsContact O-N 3.13Å; E1682-S1685 PolarHBondContact O-OG 2.92Å; E1682-V1686 VanDerWaalsContact O-CB 3.27Å; E1682-V1686 WeakPolarHBondContact O-CB 3.37Å; E1682-V1686 VanDerWaalsContact O-CG2 3.24Å; E1682-V1686 WeakPolarHBondContact O-CG2 3.41Å; E1682-V1686 PolarHBondContact O-N 2.86Å |
| 1683 | L | 65.5 | Low | 58.6 | Low | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | -178.6 | -156.3 | 159.4 | 0 | 0 | 0 | 110.6 | F1670 F1672 T1679 L1687 L1718 | F1670-L1683 HydrophobicContact CD1-CD1 3.82Å; F1670-L1683 HydrophobicContact CD1-CG 4.16Å; F1670-L1683 HydrophobicContact CE1-CB 4.49Å; F1670-L1683 HydrophobicContact CE1-CD1 3.53Å; F1670-L1683 HydrophobicContact CE1-CG 3.87Å; F1670-L1683 HydrophobicContact CE2-CG 4.23Å; F1670-L1683 HydrophobicContact CG-CG 4.48Å; F1670-L1683 HydrophobicContact CZ-CB 4.16Å; F1670-L1683 HydrophobicContact CZ-CD1 4.04Å; F1670-L1683 HydrophobicContact CZ-CG 3.9Å; F1672-L1683 HydrophobicContact CE1-CD1 3.52Å; F1672-L1683 HydrophobicContact CE2-CD1 4.18Å; F1672-L1683 HydrophobicContact CZ-CD1 3.27Å; T1679-L1683 PolarHBondContact O-N 3.15Å; T1679-L1683 VanDerWaalsContact O-N 3.08Å; L1683-L1687 HydrophobicContact CD2-CD1 3.52Å; L1683-L1687 HydrophobicContact CD2-CG 4.01Å; L1683-L1687 WeakPolarHBondContact O-CB 3.45Å; L1683-L1687 WeakPolarHBondContact O-CG 3.16Å; L1683-L1687 PolarHBondContact O-N 2.87Å; L1683-L1718 HydrophobicContact CD1-CD1 4.04Å; L1683-L1718 HydrophobicContact CD2-CD1 4.22Å |
| 1684 | K | 61 | Low | 57.9 | Low | 126 Ų | 126 | 65.1 Ų | 65.1 | 55% | 0.548 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 171.9 | -173.8 | 173 | -179.2 | 179 | 0 | 112.9 | V1680 E1682 T1688 | V1680-K1684 WeakPolarHBondContact O-CB 3.29Å; V1680-K1684 PolarHBondContact O-N 3.29Å; E1682-K1684 VanDerWaalsContact C-N 3.26Å; E1682-K1684 PolarHBondContact O-N 3.3Å; K1684-T1688 WeakPolarHBondContact O-CB 3.44Å; K1684-T1688 PolarHBondContact O-N 2.87Å; K1684-T1688 PolarHBondContact O-OG1 3.11Å |
| 1685 | S | 61.1 | Low | 57.1 | Low | 63 Ų | 63 | 64.7 Ų | 64.7 | 44% | 0.441 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | -179.6 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | K1681 E1682 T1688 Q1689 | K1681-S1685 WeakPolarHBondContact O-CB 3.34Å; K1681-S1685 PolarHBondContact O-N 3.21Å; K1681-S1685 PolarHBondContact O-OG 3.07Å; E1682-S1685 WeakPolarHBondContact CA-OG 3.39Å; E1682-S1685 PolarHBondContact O-N 2.91Å; E1682-S1685 VanDerWaalsContact O-N 3.13Å; E1682-S1685 PolarHBondContact O-OG 2.92Å; S1685-T1688 PolarHBondContact O-N 3.44Å; S1685-Q1689 WeakPolarHBondContact O-CB 3.44Å; S1685-Q1689 PolarHBondContact O-N 2.79Å |
| 1686 | V | 63.2 | Low | 56.8 | Low | 39 Ų | 39 | 67 Ų | 67 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | Y1668 F1670 E1682 T1688 Q1689 Q1690 | Y1668-V1686 HydrophobicContact CE1-CG1 4.2Å; Y1668-V1686 WeakPolarHBondContact OH-CG1 3.44Å; F1670-V1686 HydrophobicContact CD2-CG1 4.38Å; F1670-V1686 HydrophobicContact CE2-CG1 4.45Å; E1682-V1686 VanDerWaalsContact O-CB 3.27Å; E1682-V1686 WeakPolarHBondContact O-CB 3.37Å; E1682-V1686 VanDerWaalsContact O-CG2 3.24Å; E1682-V1686 WeakPolarHBondContact O-CG2 3.41Å; E1682-V1686 PolarHBondContact O-N 2.86Å; V1686-T1688 PolarHBondContact O-N 3.09Å; V1686-Q1689 PolarHBondContact O-N 2.83Å; V1686-Q1690 WeakPolarHBondContact O-CB 3.49Å; V1686-Q1690 WeakPolarHBondContact O-CG 3.49Å; V1686-Q1690 PolarHBondContact O-N 2.79Å |
| 1687 | L | 64.3 | Low | 56.2 | Low | 11 Ų | 11 | 73.6 Ų | 73.6 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.1 | -75.5 | -178.6 | 0 | 0 | 0 | 112.3 | Y1668 L1683 L1691 I1703 L1722 | Y1668-L1687 HydrophobicContact CD1-CD2 4.09Å; Y1668-L1687 HydrophobicContact CE1-CD2 4.28Å; L1683-L1687 HydrophobicContact CD2-CD1 3.52Å; L1683-L1687 HydrophobicContact CD2-CG 4.01Å; L1683-L1687 WeakPolarHBondContact O-CB 3.45Å; L1683-L1687 WeakPolarHBondContact O-CG 3.16Å; L1683-L1687 PolarHBondContact O-N 2.87Å; L1687-L1691 HydrophobicContact CB-CD1 4.49Å; L1687-L1691 WeakPolarHBondContact O-CB 3.38Å; L1687-L1691 WeakPolarHBondContact O-CD1 3.22Å; L1687-L1691 WeakPolarHBondContact O-CG 3.41Å; L1687-L1691 PolarHBondContact O-N 3.49Å; L1687-I1703 HydrophobicContact CD2-CD1 3.96Å; L1687-L1722 HydrophobicContact CD1-CD2 3.76Å |
| 1688 | T | 59.9 | Low | 56 | Low | 57 Ų | 57 | 73.2 Ų | 73.2 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.2 | -40.3 | -179.1 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | K1684 S1685 V1686 N1692 | K1684-T1688 WeakPolarHBondContact O-CB 3.44Å; K1684-T1688 PolarHBondContact O-N 2.87Å; K1684-T1688 PolarHBondContact O-OG1 3.11Å; S1685-T1688 PolarHBondContact O-N 3.44Å; V1686-T1688 PolarHBondContact O-N 3.09Å; T1688-N1692 VanDerWaalsContact O-CB 3.23Å; T1688-N1692 WeakPolarHBondContact O-CB 3.29Å; T1688-N1692 PolarHBondContact O-N 2.8Å; T1688-N1692 PolarHBondContact O-OD1 3.28Å |
| 1689 | Q | 59.4 | Low | 55.9 | Low | 136 Ų | 136 | 80.3 Ų | 80.3 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.6 | -44.6 | 176.4 | -175 | 176.2 | 4.7 | 0 | 0 | 111.1 | S1685 V1686 S1693 | S1685-Q1689 WeakPolarHBondContact O-CB 3.44Å; S1685-Q1689 PolarHBondContact O-N 2.79Å; V1686-Q1689 PolarHBondContact O-N 2.83Å; Q1689-S1693 WeakPolarHBondContact O-CB 3.23Å; Q1689-S1693 PolarHBondContact O-N 3.01Å; Q1689-S1693 PolarHBondContact O-OG 2.79Å |
| 1690 | Q | 51.1 | Low | 56.2 | Low | 60 Ų | 60 | 77.5 Ų | 77.5 | 28% | 0.28 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -58.4 | 172.6 | -71 | -73.4 | -54.2 | 0 | 0 | 110.8 | Y1668 V1686 N1692 S1693 F1694 | Y1668-Q1690 HydrophobicContact CD2-CG 4.22Å; Y1668-Q1690 HydrophobicContact CE2-CG 3.82Å; V1686-Q1690 WeakPolarHBondContact O-CB 3.49Å; V1686-Q1690 WeakPolarHBondContact O-CG 3.49Å; V1686-Q1690 PolarHBondContact O-N 2.79Å; Q1690-N1692 VanDerWaalsContact C-N 3.27Å; Q1690-N1692 PolarHBondContact O-N 2.95Å; Q1690-S1693 PolarHBondContact O-N 3.21Å; Q1690-S1693 PolarHBondContact O-OG 3.48Å; Q1690-F1694 HydrophobicContact CB-CE2 4.11Å; Q1690-F1694 WeakPolarHBondContact O-CD2 3.28Å; Q1690-F1694 PolarHBondContact O-N 3.29Å; Q1690-F1694 VanDerWaalsContact O-N 3.11Å |
| 1691 | L | 54 | Low | 56.5 | Low | 31 Ų | 31 | 78.7 Ų | 78.7 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.5 | -37.5 | -178.6 | -70.1 | 167.1 | 0 | 0 | 0 | 113 | L1687 Y1699 F1724 | L1687-L1691 HydrophobicContact CB-CD1 4.49Å; L1687-L1691 WeakPolarHBondContact O-CB 3.38Å; L1687-L1691 WeakPolarHBondContact O-CD1 3.22Å; L1687-L1691 WeakPolarHBondContact O-CG 3.41Å; L1687-L1691 PolarHBondContact O-N 3.49Å; L1691-Y1699 HydrophobicContact CD2-CD1 3.63Å; L1691-Y1699 HydrophobicContact CD2-CE1 4.03Å; L1691-F1724 HydrophobicContact CD1-CE1 4.36Å; L1691-F1724 HydrophobicContact CD1-CZ 4.41Å |
| 1692 | N | 49.5 | Very low | 56.9 | Low | 103 Ų | 103 | 70.4 Ų | 70.4 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -72.5 | -36.8 | 175.8 | -70.2 | -3.3 | 0 | 0 | 0 | 112.4 | T1688 Q1690 F1694 T1695 | T1688-N1692 VanDerWaalsContact O-CB 3.23Å; T1688-N1692 WeakPolarHBondContact O-CB 3.29Å; T1688-N1692 PolarHBondContact O-N 2.8Å; T1688-N1692 PolarHBondContact O-OD1 3.28Å; Q1690-N1692 VanDerWaalsContact C-N 3.27Å; Q1690-N1692 PolarHBondContact O-N 2.95Å; N1692-F1694 PolarHBondContact O-N 2.79Å; N1692-T1695 VanDerWaalsContact O-CG2 3.29Å; N1692-T1695 WeakPolarHBondContact O-CG2 3.44Å; N1692-T1695 PolarHBondContact O-N 3.14Å; N1692-T1695 PolarHBondContact O-OG1 2.93Å |
| 1693 | S | 50.1 | Low | 57.5 | Low | 74 Ų | 74 | 67.3 Ų | 67.3 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.1 | -20.7 | 175.9 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | Q1689 Q1690 T1695 | Q1689-S1693 WeakPolarHBondContact O-CB 3.23Å; Q1689-S1693 PolarHBondContact O-N 3.01Å; Q1689-S1693 PolarHBondContact O-OG 2.79Å; Q1690-S1693 PolarHBondContact O-N 3.21Å; Q1690-S1693 PolarHBondContact O-OG 3.48Å; S1693-T1695 VanDerWaalsContact C-N 3.3Å; S1693-T1695 PolarHBondContact O-N 3.2Å |
| 1694 | F | 50 | Low | 58.3 | Low | 17 Ų | 17 | 67.2 Ų | 67.2 | 8% | 0.075 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -83.3 | 4.4 | 176.6 | -72.9 | -58.6 | 0 | 0 | 0 | 115.4 | N1665 Q1690 N1692 N1696 N1697 G1698 | N1665-F1694 HydrophobicContact CB-CE1 3.53Å; N1665-F1694 HydrophobicContact CB-CZ 3.44Å; N1665-F1694 VanDerWaalsContact CB-CZ 3.44Å; N1665-F1694 WeakPolarHBondContact ND2-CE1 3.13Å; N1665-F1694 WeakPolarHBondContact ND2-CZ 3.31Å; Q1690-F1694 HydrophobicContact CB-CE2 4.11Å; Q1690-F1694 WeakPolarHBondContact O-CD2 3.28Å; Q1690-F1694 PolarHBondContact O-N 3.29Å; Q1690-F1694 VanDerWaalsContact O-N 3.11Å; N1692-F1694 PolarHBondContact O-N 2.79Å; F1694-N1696 PolarHBondContact O-N 2.88Å; F1694-N1697 HydrophobicContact CD1-CB 4.41Å; F1694-N1697 PolarHBondContact O-N 3.42Å; F1694-G1698 WeakPolarHBondContact CB-O 3.28Å; F1694-G1698 PolarHBondContact O-N 2.91Å |
| 1695 | T | 44.5 | Very low | 59.1 | Low | 115 Ų | 115 | 61.3 Ų | 61.3 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -54.8 | -24 | 178 | 40.5 | 0 | 0 | 0 | 0 | 114.5 | N1692 S1693 | N1692-T1695 VanDerWaalsContact O-CG2 3.29Å; N1692-T1695 WeakPolarHBondContact O-CG2 3.44Å; N1692-T1695 PolarHBondContact O-N 3.14Å; N1692-T1695 PolarHBondContact O-OG1 2.93Å; S1693-T1695 VanDerWaalsContact C-N 3.3Å; S1693-T1695 PolarHBondContact O-N 3.2Å |
| 1696 | N | 44.3 | Very low | 60 | Low | 151 Ų | 151 | 58.6 Ų | 58.6 | 81% | 0.807 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -98.2 | -15.4 | 175.7 | -69.9 | -18 | 0 | 0 | 0 | 115.3 | F1694 | F1694-N1696 PolarHBondContact O-N 2.88Š|
| 1697 | N | 45.5 | Very low | 60.5 | Low | 149 Ų | 149 | 58 Ų | 58 | 80% | 0.797 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | -6.8 | -171.5 | -84.6 | -10.4 | 0 | 0 | 0 | 115.2 | F1694 | F1694-N1697 HydrophobicContact CD1-CB 4.41Å; F1694-N1697 PolarHBondContact O-N 3.42Å |
| 1698 | G | 50.7 | Low | 60.9 | Low | 42 Ų | 42 | 57.5 Ų | 57.5 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | trans | 92.1 | 153.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1694 | F1694-G1698 WeakPolarHBondContact CB-O 3.28Å; F1694-G1698 PolarHBondContact O-N 2.91Å | ||
| 1699 | Y | 59.1 | Low | 61.2 | Low | 158 Ų | 158 | 57.5 Ų | 57.5 | 62% | 0.62 | 31% | 0.306 | S | S | * | . | trans | -62.3 | 145 | -176.6 | -65.4 | -71.1 | 0 | 0 | 0 | 112.7 | L1691 | L1691-Y1699 HydrophobicContact CD2-CD1 3.63Å; L1691-Y1699 HydrophobicContact CD2-CE1 4.03Å | ||
| 1700 | P | 64.1 | Low | 61.3 | Low | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | trans | -61.3 | 141.9 | 172.9 | 26.7 | -34.4 | 0 | 0 | 0 | 110.6 | P1729 | P1700-P1729 HydrophobicContact CG-CG 4.22Å; P1700-P1729 VanDerWaalsContact O-CB 3.25Å; P1700-P1729 WeakPolarHBondContact O-CB 3.5Å; P1700-P1729 VanDerWaalsContact O-CG 3.27Å; P1700-P1729 WeakPolarHBondContact O-CG 3.45Å | ||
| 1701 | E | 66.3 | Low | 61.8 | Low | 63 Ų | 63 | 50.9 Ų | 50.9 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -79.3 | -32.1 | -174.5 | -163.9 | 171.8 | -160.2 | 0 | 0 | 111.1 | V1658 T1659 T1666 K1730 | V1658-E1701 WeakPolarHBondContact CA-OE2 3.41Å; V1658-E1701 WeakPolarHBondContact CG1-OE2 3.18Å; V1658-E1701 HydrophobicContact CG2-CB 4.41Å; T1659-E1701 WeakPolarHBondContact CG2-OE1 3.32Å; T1659-E1701 PolarHBondContact N-OE1 3.47Å; T1659-E1701 PolarHBondContact N-OE2 3.03Å; T1659-E1701 PolarHBondContact OG1-OE1 3.32Å; T1659-E1701 PolarHBondContact OG1-OE2 3.43Å; T1666-E1701 HydrophobicContact CG2-CB 4.44Å; T1666-E1701 PolarHBondContact O-N 3.21Å; E1701-K1730 PolarHBondContact O-N 3.24Å |
| 1702 | V | 68.2 | Low | 61.9 | Low | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 138.4 | 179.5 | -168 | 0 | 0 | 0 | 0 | 112.1 | T1654 L1657 V1658 T1666 V1667 Y1668 K1730 V1732 | T1654-V1702 HydrophobicContact CG2-CB 3.65Å; T1654-V1702 HydrophobicContact CG2-CG1 3.56Å; T1654-V1702 HydrophobicContact CG2-CG2 4.07Å; L1657-V1702 HydrophobicContact CB-CG2 4.43Å; V1658-V1702 HydrophobicContact CG2-CG2 4.01Å; T1666-V1702 PolarHBondContact O-N 3.42Å; V1667-V1702 WeakPolarHBondContact CA-O 3.37Å; Y1668-V1702 PolarHBondContact N-O 3.31Å; V1702-K1730 CarbonylContact C-O 3.59Å; V1702-K1730 WeakPolarHBondContact CA-O 3.11Å; V1702-K1730 HydrophobicContact CG1-CB 4.49Å; V1702-K1730 WeakPolarHBondContact CG1-O 3.17Å; V1702-V1732 HydrophobicContact CG1-CG2 3.9Å |
| 1703 | I | 76.4 | Confident | 62.4 | Low | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.5 | 172 | -64.7 | 170.9 | 0 | 0 | 0 | 108.9 | Y1668 L1687 L1705 P1729 K1730 I1731 V1732 | Y1668-I1703 HydrophobicContact CD1-CG2 4.39Å; Y1668-I1703 CarbonylContact O-C 3.5Å; Y1668-I1703 WeakPolarHBondContact O-CA 3.49Å; L1687-I1703 HydrophobicContact CD2-CD1 3.96Å; I1703-L1705 HydrophobicContact CG2-CD2 4.08Å; I1703-L1705 HydrophobicContact CG2-CG 4.32Å; I1703-P1729 HydrophobicContact CD1-CB 3.74Å; I1703-P1729 HydrophobicContact CD1-CG 3.81Å; I1703-P1729 HydrophobicContact CG1-CB 3.81Å; I1703-P1729 HydrophobicContact CG1-CG 4.3Å; I1703-K1730 PolarHBondContact N-O 3.08Å; I1703-I1731 CarbonylContact O-C 3.54Å; I1703-I1731 WeakPolarHBondContact O-CA 3.04Å; I1703-V1732 PolarHBondContact O-N 2.85Å |
| 1704 | N | 81 | Confident | 62.7 | Low | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.4 | 174.9 | -66.8 | -20.8 | 0 | 0 | 0 | 110.4 | V1650 T1654 Y1668 N1669 F1670 L1706 V1732 | V1650-N1704 HydrophobicContact CG1-CB 3.99Å; V1650-N1704 WeakPolarHBondContact CG1-OD1 3.32Å; T1654-N1704 PolarHBondContact OG1-OD1 3.45Å; Y1668-N1704 PolarHBondContact O-N 3.2Å; N1669-N1704 WeakPolarHBondContact OD1-CB 3.32Å; N1669-N1704 PolarHBondContact OD1-ND2 3.34Å; F1670-N1704 PolarHBondContact N-O 3.36Å; N1704-L1706 HydrophobicContact CB-CD2 4.46Å; N1704-V1732 CarbonylContact C-O 3.48Å; N1704-V1732 VanDerWaalsContact CA-O 3.31Å; N1704-V1732 WeakPolarHBondContact CA-O 3.36Å |
| 1705 | L | 79.2 | Confident | 63.3 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 92.2 | 177.9 | -68 | -174.5 | 0 | 0 | 0 | 110.1 | F1670 F1672 I1703 I1708 I1731 V1732 G1733 T1734 | F1670-L1705 HydrophobicContact CB-CD2 3.99Å; F1670-L1705 HydrophobicContact CD1-CD2 4.42Å; F1672-L1705 HydrophobicContact CE2-CB 4.25Å; F1672-L1705 HydrophobicContact CE2-CD2 4.41Å; I1703-L1705 HydrophobicContact CG2-CD2 4.08Å; I1703-L1705 HydrophobicContact CG2-CG 4.32Å; L1705-I1708 HydrophobicContact CB-CD1 3.91Å; L1705-I1708 HydrophobicContact CB-CG1 4.08Å; L1705-I1708 WeakPolarHBondContact O-CG1 3.28Å; L1705-I1731 HydrophobicContact CD1-CG2 3.55Å; L1705-I1731 HydrophobicContact CG-CG2 3.9Å; L1705-V1732 PolarHBondContact N-O 3.41Å; L1705-G1733 CarbonylContact O-C 3.49Å; L1705-G1733 VanDerWaalsContact O-CA 3.24Å; L1705-G1733 WeakPolarHBondContact O-CA 3.35Å; L1705-T1734 PolarHBondContact O-N 2.94Å |
| 1706 | L | 79.3 | Confident | 63.8 | Low | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.2 | -170.7 | -56.6 | 179.9 | 0 | 0 | 0 | 112.4 | V1650 F1670 R1671 F1672 N1704 T1734 | V1650-L1706 HydrophobicContact CB-CD2 4.25Å; V1650-L1706 HydrophobicContact CG1-CD2 4.01Å; F1670-L1706 PolarHBondContact O-N 3.11Å; R1671-L1706 HydrophobicContact CB-CB 4.42Å; R1671-L1706 HydrophobicContact CG-CB 4.38Å; F1672-L1706 WeakPolarHBondContact CD2-O 3.19Å; F1672-L1706 PolarHBondContact N-O 3.48Å; N1704-L1706 HydrophobicContact CB-CD2 4.46Å; L1706-T1734 HydrophobicContact CD2-CG2 4.04Å |
| 1707 | N | 74.4 | Confident | 64.5 | Low | 26 Ų | 26 | 44.6 Ų | 44.6 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 41.2 | 177.5 | -53.2 | -17.3 | 0 | 0 | 0 | 114.8 | S1647 F1672 H1674 Q1709 H1710 T1734 | S1647-N1707 PolarHBondContact OG-OD1 3.06Å; F1672-N1707 WeakPolarHBondContact CB-O 3.23Å; H1674-N1707 PolarHBondContact CE1-ND2 3.45Å; N1707-Q1709 PolarHBondContact O-N 3.34Å; N1707-H1710 PolarHBondContact O-CD2 3.49Å; N1707-H1710 PolarHBondContact O-N 2.88Å; N1707-T1734 PolarHBondContact N-O 3.25Å; N1707-T1734 PolarHBondContact N-OG1 2.92Å |
| 1708 | I | 72.9 | Confident | 65.3 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -49.8 | -27.6 | -177.8 | -64 | 176.7 | 0 | 0 | 0 | 113.2 | I1637 F1672 L1705 H1710 F1711 F1715 T1734 L1742 | I1637-I1708 HydrophobicContact CD1-CD1 4.33Å; I1637-I1708 HydrophobicContact CG1-CD1 4.37Å; I1637-I1708 HydrophobicContact CG2-CD1 4.17Å; F1672-I1708 HydrophobicContact CD2-CG1 4.24Å; F1672-I1708 HydrophobicContact CE2-CG1 3.87Å; L1705-I1708 HydrophobicContact CB-CD1 3.91Å; L1705-I1708 HydrophobicContact CB-CG1 4.08Å; L1705-I1708 WeakPolarHBondContact O-CG1 3.28Å; I1708-H1710 PolarHBondContact O-N 3.49Å; I1708-F1711 WeakPolarHBondContact O-CB 3.29Å; I1708-F1711 PolarHBondContact O-N 3.41Å; I1708-F1711 VanDerWaalsContact O-N 3.07Å; I1708-F1715 HydrophobicContact CG2-CD1 4.33Å; I1708-F1715 HydrophobicContact CG2-CE1 3.44Å; I1708-F1715 VanDerWaalsContact CG2-CE1 3.44Å; I1708-F1715 HydrophobicContact CG2-CZ 4.08Å; I1708-T1734 WeakPolarHBondContact CB-O 3.27Å; I1708-T1734 WeakPolarHBondContact CG1-O 3.31Å; I1708-T1734 PolarHBondContact N-O 3.25Å; I1708-L1742 HydrophobicContact CG2-CD1 4.22Å |
| 1709 | Q | 66.2 | Low | 65.9 | Low | 57 Ų | 57 | 36.5 Ų | 36.5 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -63.5 | -5.7 | -179.3 | 76.5 | -77.8 | -19.7 | 0 | 0 | 116.5 | N1707 N1739 | N1707-Q1709 PolarHBondContact O-N 3.34Å; Q1709-N1739 WeakPolarHBondContact CA-ND2 3.36Å; Q1709-N1739 VanDerWaalsContact CB-ND2 3.35Å; Q1709-N1739 WeakPolarHBondContact CB-ND2 3.3Å |
| 1710 | H | 60 | Low | 65.8 | Low | 42 Ų | 42 | 31.2 Ų | 31.2 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -97 | -1.2 | 174.1 | -60.6 | -79.2 | 0 | 0 | 0 | 113.9 | K1673 H1674 G1676 N1707 I1708 Q1712 | K1673-H1710 VanDerWaalsContact O-CB 3.23Å; K1673-H1710 WeakPolarHBondContact O-CB 3.42Å; H1674-H1710 AromaticContact CE1-CD2 3.97Å; H1674-H1710 AromaticContact CE1-NE2 3.57Å; H1674-H1710 AromaticContact ND1-CD2 3.35Å; H1674-H1710 PolarHBondContact ND1-CD2 2.83Å; H1674-H1710 AromaticContact ND1-CE1 3.34Å; H1674-H1710 PolarHBondContact ND1-CE1 3.5Å; H1674-H1710 VanDerWaalsContact ND1-CE1 3.34Å; H1674-H1710 AromaticContact ND1-CG 3.89Å; H1674-H1710 AromaticContact ND1-ND1 3.86Å; H1674-H1710 AromaticContact ND1-NE2 2.95Å; H1674-H1710 PolarHBondContact ND1-NE2 3.33Å; G1676-H1710 VanDerWaalsContact CA-O 3.3Å; G1676-H1710 WeakPolarHBondContact CA-O 3.29Å; N1707-H1710 PolarHBondContact O-CD2 3.49Å; N1707-H1710 PolarHBondContact O-N 2.88Å; I1708-H1710 PolarHBondContact O-N 3.49Å; H1710-Q1712 PolarHBondContact O-N 3.02Å |
| 1711 | F | 63 | Low | 65.2 | Low | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | trans | -72.7 | 122.1 | 176.3 | 178.6 | -111.4 | 0 | 0 | 0 | 111.4 | F1672 V1680 I1708 G1713 F1715 L1718 | F1672-F1711 HydrophobicContact CD1-CB 3.96Å; F1672-F1711 HydrophobicContact CD1-CD2 4.26Å; F1672-F1711 HydrophobicContact CE1-CB 3.86Å; F1672-F1711 AromaticContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CE2 4.5Å; F1672-F1711 HydrophobicContact CE1-CG 4.03Å; V1680-F1711 HydrophobicContact CG2-CE2 3.58Å; V1680-F1711 HydrophobicContact CG2-CZ 3.43Å; V1680-F1711 VanDerWaalsContact CG2-CZ 3.43Å; I1708-F1711 WeakPolarHBondContact O-CB 3.29Å; I1708-F1711 PolarHBondContact O-N 3.41Å; I1708-F1711 VanDerWaalsContact O-N 3.07Å; F1711-G1713 WeakPolarHBondContact CD1-O 3.43Å; F1711-G1713 WeakPolarHBondContact CE1-O 3.47Å; F1711-F1715 HydrophobicContact CB-CE1 4.2Å; F1711-F1715 HydrophobicContact CB-CZ 4.31Å; F1711-F1715 AromaticContact CD1-CD1 3.83Å; F1711-F1715 HydrophobicContact CD1-CD1 3.83Å; F1711-F1715 AromaticContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE2 4.42Å; F1711-F1715 AromaticContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CE1-CD1 4.06Å; F1711-F1715 HydrophobicContact CE1-CE1 4.06Å; F1711-F1715 HydrophobicContact CG-CE1 4.19Å; F1711-L1718 HydrophobicContact CE1-CB 4.34Å; F1711-L1718 HydrophobicContact CZ-CB 4.19Å; F1711-L1718 HydrophobicContact CZ-CD1 4.33Å | ||
| 1712 | Q | 56.2 | Low | 64.7 | Low | 162 Ų | 162 | 34.8 Ų | 34.8 | 76% | 0.757 | 19% | 0.188 | S | C | * | . | trans | -94 | 11.4 | -179.6 | -62.6 | -174.4 | 1.5 | 0 | 0 | 114.1 | H1710 | H1710-Q1712 PolarHBondContact O-N 3.02Š| ||
| 1713 | G | 59.3 | Low | 63.7 | Low | 26 Ų | 26 | 43 Ų | 43 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -102.8 | 170.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1711 | F1711-G1713 WeakPolarHBondContact CD1-O 3.43Å; F1711-G1713 WeakPolarHBondContact CE1-O 3.47Å |
| 1714 | S | 55.8 | Low | 62.5 | Low | 57 Ų | 57 | 46.3 Ų | 46.3 | 40% | 0.399 | 24% | 0.238 | S | C | . | . | trans | -75.2 | 133.4 | 173.5 | 91 | 0 | 0 | 0 | 0 | 111.1 | S1716 D1717 L1718 | S1714-S1716 PolarHBondContact O-N 2.81Å; S1714-D1717 PolarHBondContact O-N 2.99Å; S1714-D1717 VanDerWaalsContact O-N 3.1Å; S1714-D1717 PolarHBondContact OG-N 2.95Å; S1714-L1718 PolarHBondContact O-N 3.48Å | ||
| 1715 | F | 62.6 | Low | 60.8 | Low | 9 Ų | 9 | 50.7 Ų | 50.7 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -23.5 | 178.6 | -64.5 | -74.2 | 0 | 0 | 0 | 112.8 | I1708 F1711 D1717 L1718 F1719 E1741 L1742 | I1708-F1715 HydrophobicContact CG2-CD1 4.33Å; I1708-F1715 HydrophobicContact CG2-CE1 3.44Å; I1708-F1715 VanDerWaalsContact CG2-CE1 3.44Å; I1708-F1715 HydrophobicContact CG2-CZ 4.08Å; F1711-F1715 HydrophobicContact CB-CE1 4.2Å; F1711-F1715 HydrophobicContact CB-CZ 4.31Å; F1711-F1715 AromaticContact CD1-CD1 3.83Å; F1711-F1715 HydrophobicContact CD1-CD1 3.83Å; F1711-F1715 AromaticContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE2 4.42Å; F1711-F1715 AromaticContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CE1-CD1 4.06Å; F1711-F1715 HydrophobicContact CE1-CE1 4.06Å; F1711-F1715 HydrophobicContact CG-CE1 4.19Å; F1715-D1717 VanDerWaalsContact C-N 3.32Å; F1715-D1717 PolarHBondContact O-N 3.09Å; F1715-L1718 PolarHBondContact O-N 3.37Å; F1715-F1719 HydrophobicContact CB-CD2 4.25Å; F1715-F1719 HydrophobicContact CB-CE2 4.34Å; F1715-F1719 HydrophobicContact CD1-CE2 4.28Å; F1715-F1719 VanDerWaalsContact O-CD2 3.31Å; F1715-F1719 WeakPolarHBondContact O-CD2 3.41Å; F1715-F1719 PolarHBondContact O-N 2.86Å; F1715-E1741 HydrophobicContact CD2-CB 4.42Å; F1715-L1742 HydrophobicContact CB-CD2 4.08Å; F1715-L1742 HydrophobicContact CD1-CD2 3.61Å; F1715-L1742 HydrophobicContact CD1-CG 4.26Å; F1715-L1742 HydrophobicContact CD2-CD1 4.42Å; F1715-L1742 HydrophobicContact CD2-CD2 3.71Å; F1715-L1742 HydrophobicContact CD2-CG 3.66Å; F1715-L1742 HydrophobicContact CE1-CD1 4.12Å; F1715-L1742 HydrophobicContact CE1-CD2 3.95Å; F1715-L1742 HydrophobicContact CE1-CG 4.22Å; F1715-L1742 HydrophobicContact CE2-CD1 3.92Å; F1715-L1742 HydrophobicContact CE2-CD2 4.05Å; F1715-L1742 HydrophobicContact CE2-CG 3.62Å; F1715-L1742 HydrophobicContact CG-CD2 3.48Å; F1715-L1742 VanDerWaalsContact CG-CD2 3.48Å; F1715-L1742 HydrophobicContact CG-CG 3.99Å; F1715-L1742 HydrophobicContact CZ-CD1 3.74Å; F1715-L1742 HydrophobicContact CZ-CD2 4.15Å; F1715-L1742 HydrophobicContact CZ-CG 3.9Å |
| 1716 | S | 56.1 | Low | 59.4 | Low | 44 Ų | 44 | 56.3 Ų | 56.3 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53.5 | -50.1 | 167.9 | -160.1 | 0 | 0 | 0 | 0 | 111.4 | S1714 L1718 F1719 S1720 F1745 | S1714-S1716 PolarHBondContact O-N 2.81Å; S1716-L1718 VanDerWaalsContact C-N 3.29Å; S1716-L1718 PolarHBondContact O-N 2.82Å; S1716-F1719 PolarHBondContact O-N 3.27Å; S1716-S1720 WeakPolarHBondContact O-CB 3.44Å; S1716-S1720 PolarHBondContact O-N 3.31Å; S1716-S1720 PolarHBondContact O-OG 2.77Å; S1716-F1745 VanDerWaalsContact CB-CE1 3.4Å; S1716-F1745 WeakPolarHBondContact OG-CE1 3.11Å |
| 1717 | D | 58.3 | Low | 58.1 | Low | 62 Ų | 62 | 62 Ų | 62 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.7 | -29.3 | -174 | -133.6 | 49.3 | 0 | 0 | 0 | 111.8 | S1714 F1715 K1721 | S1714-D1717 PolarHBondContact O-N 2.99Å; S1714-D1717 VanDerWaalsContact O-N 3.1Å; S1714-D1717 PolarHBondContact OG-N 2.95Å; F1715-D1717 VanDerWaalsContact C-N 3.32Å; F1715-D1717 PolarHBondContact O-N 3.09Å; D1717-K1721 WeakPolarHBondContact O-CB 3.37Å; D1717-K1721 VanDerWaalsContact O-CD 3.31Å; D1717-K1721 WeakPolarHBondContact O-CD 3.37Å; D1717-K1721 VanDerWaalsContact O-CG 3.31Å; D1717-K1721 WeakPolarHBondContact O-CG 3.46Å; D1717-K1721 WeakPolarHBondContact OD1-CE 3.22Å; D1717-K1721 IonicContact OD1-NZ 2.72Å; D1717-K1721 PolarHBondContact OD1-NZ 3.02Å; D1717-K1721 IonicContact OD2-NZ 2.64Å; D1717-K1721 PolarHBondContact OD2-NZ 3.34Å |
| 1718 | L | 62.1 | Low | 57.4 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.6 | -57.4 | 173 | -168.7 | 72.6 | 0 | 0 | 0 | 111.5 | L1683 F1711 S1714 F1715 S1716 L1722 | L1683-L1718 HydrophobicContact CD1-CD1 4.04Å; L1683-L1718 HydrophobicContact CD2-CD1 4.22Å; F1711-L1718 HydrophobicContact CE1-CB 4.34Å; F1711-L1718 HydrophobicContact CZ-CB 4.19Å; F1711-L1718 HydrophobicContact CZ-CD1 4.33Å; S1714-L1718 PolarHBondContact O-N 3.48Å; F1715-L1718 PolarHBondContact O-N 3.37Å; S1716-L1718 VanDerWaalsContact C-N 3.29Å; S1716-L1718 PolarHBondContact O-N 2.82Å; L1718-L1722 HydrophobicContact CG-CD1 4.38Å; L1718-L1722 WeakPolarHBondContact O-CD1 3.19Å; L1718-L1722 VanDerWaalsContact O-CG 3.27Å; L1718-L1722 WeakPolarHBondContact O-CG 3.5Å; L1718-L1722 PolarHBondContact O-N 3.17Å |
| 1719 | F | 63.3 | Low | 57.1 | Low | 14 Ų | 14 | 63.4 Ų | 63.4 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -80.8 | -32.2 | -171 | -68.1 | -63.8 | 0 | 0 | 0 | 114 | I1635 I1637 F1715 S1716 K1721 L1722 I1751 | I1635-F1719 HydrophobicContact CD1-CD1 3.88Å; I1635-F1719 HydrophobicContact CD1-CE1 4.36Å; I1635-F1719 HydrophobicContact CG2-CD1 4.33Å; I1635-F1719 HydrophobicContact CG2-CE1 3.82Å; I1635-F1719 HydrophobicContact CG2-CZ 4.45Å; I1637-F1719 HydrophobicContact CD1-CE2 4.33Å; I1637-F1719 HydrophobicContact CD1-CZ 3.99Å; F1715-F1719 HydrophobicContact CB-CD2 4.25Å; F1715-F1719 HydrophobicContact CB-CE2 4.34Å; F1715-F1719 HydrophobicContact CD1-CE2 4.28Å; F1715-F1719 VanDerWaalsContact O-CD2 3.31Å; F1715-F1719 WeakPolarHBondContact O-CD2 3.41Å; F1715-F1719 PolarHBondContact O-N 2.86Å; S1716-F1719 PolarHBondContact O-N 3.27Å; F1719-K1721 VanDerWaalsContact C-N 3.3Å; F1719-K1721 PolarHBondContact O-N 3.17Å; F1719-L1722 CarbonylContact O-C 3.49Å; F1719-L1722 PolarHBondContact O-N 2.78Å; F1719-I1751 HydrophobicContact CB-CD1 4.34Å; F1719-I1751 HydrophobicContact CD1-CD1 4.22Å; F1719-I1751 HydrophobicContact CD2-CD1 3.67Å; F1719-I1751 HydrophobicContact CE1-CD1 4.48Å; F1719-I1751 HydrophobicContact CE2-CD1 3.96Å; F1719-I1751 HydrophobicContact CG-CD1 3.82Å; F1719-I1751 HydrophobicContact CZ-CD1 4.37Å |
| 1720 | S | 58 | Low | 57.3 | Low | 48 Ų | 48 | 63.8 Ų | 63.8 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.2 | -32.7 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | S1716 L1722 K1723 | S1716-S1720 WeakPolarHBondContact O-CB 3.44Å; S1716-S1720 PolarHBondContact O-N 3.31Å; S1716-S1720 PolarHBondContact O-OG 2.77Å; S1720-L1722 VanDerWaalsContact C-N 3.31Å; S1720-K1723 WeakPolarHBondContact O-CB 3.16Å; S1720-K1723 PolarHBondContact O-N 2.72Å |
| 1721 | K | 50.5 | Low | 57.9 | Low | 119 Ų | 119 | 62 Ų | 62 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -6 | 177.7 | -60.1 | 177.7 | -168.6 | 173.3 | 0 | 112.7 | D1717 F1719 | D1717-K1721 WeakPolarHBondContact O-CB 3.37Å; D1717-K1721 VanDerWaalsContact O-CD 3.31Å; D1717-K1721 WeakPolarHBondContact O-CD 3.37Å; D1717-K1721 VanDerWaalsContact O-CG 3.31Å; D1717-K1721 WeakPolarHBondContact O-CG 3.46Å; D1717-K1721 WeakPolarHBondContact OD1-CE 3.22Å; D1717-K1721 IonicContact OD1-NZ 2.72Å; D1717-K1721 PolarHBondContact OD1-NZ 3.02Å; D1717-K1721 IonicContact OD2-NZ 2.64Å; D1717-K1721 PolarHBondContact OD2-NZ 3.34Å; F1719-K1721 VanDerWaalsContact C-N 3.3Å; F1719-K1721 PolarHBondContact O-N 3.17Å |
| 1722 | L | 55.4 | Low | 58.6 | Low | 27 Ų | 27 | 61.3 Ų | 61.3 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 27.6 | 165.1 | -64.9 | 170.1 | 0 | 0 | 0 | 111.4 | L1687 L1718 F1719 S1720 F1724 I1731 | L1687-L1722 HydrophobicContact CD1-CD2 3.76Å; L1718-L1722 HydrophobicContact CG-CD1 4.38Å; L1718-L1722 WeakPolarHBondContact O-CD1 3.19Å; L1718-L1722 VanDerWaalsContact O-CG 3.27Å; L1718-L1722 WeakPolarHBondContact O-CG 3.5Å; L1718-L1722 PolarHBondContact O-N 3.17Å; F1719-L1722 CarbonylContact O-C 3.49Å; F1719-L1722 PolarHBondContact O-N 2.78Å; S1720-L1722 VanDerWaalsContact C-N 3.31Å; L1722-F1724 VanDerWaalsContact C-N 3.3Å; L1722-F1724 HydrophobicContact CB-CD2 4.25Å; L1722-F1724 HydrophobicContact CB-CE2 4.06Å; L1722-F1724 HydrophobicContact CD2-CE2 3.78Å; L1722-F1724 HydrophobicContact CD2-CZ 3.84Å; L1722-F1724 HydrophobicContact CG-CE2 4.46Å; L1722-F1724 VanDerWaalsContact O-CD2 3.22Å; L1722-F1724 WeakPolarHBondContact O-CD2 3.48Å; L1722-F1724 WeakPolarHBondContact O-CG 3.25Å; L1722-F1724 PolarHBondContact O-N 3.1Å; L1722-I1731 HydrophobicContact CD1-CD1 4.32Å |
| 1723 | K | 48.8 | Very low | 59.6 | Low | 175 Ų | 175 | 53.7 Ų | 53.7 | 76% | 0.761 | 30% | 0.304 | S | S | * | . | trans | -66.4 | 94.1 | 168.9 | -93.2 | -171.9 | 173.9 | 179.8 | 0 | 110.1 | S1720 | S1720-K1723 WeakPolarHBondContact O-CB 3.16Å; S1720-K1723 PolarHBondContact O-N 2.72Å | ||
| 1724 | F | 51.3 | Low | 60.4 | Low | 74 Ų | 74 | 52.5 Ų | 52.5 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | trans | -92.4 | 142 | -174.8 | -85.8 | -47.5 | 0 | 0 | 0 | 111.2 | L1691 L1722 C1728 I1731 | L1691-F1724 HydrophobicContact CD1-CE1 4.36Å; L1691-F1724 HydrophobicContact CD1-CZ 4.41Å; L1722-F1724 VanDerWaalsContact C-N 3.3Å; L1722-F1724 HydrophobicContact CB-CD2 4.25Å; L1722-F1724 HydrophobicContact CB-CE2 4.06Å; L1722-F1724 HydrophobicContact CD2-CE2 3.78Å; L1722-F1724 HydrophobicContact CD2-CZ 3.84Å; L1722-F1724 HydrophobicContact CG-CE2 4.46Å; L1722-F1724 VanDerWaalsContact O-CD2 3.22Å; L1722-F1724 WeakPolarHBondContact O-CD2 3.48Å; L1722-F1724 WeakPolarHBondContact O-CG 3.25Å; L1722-F1724 PolarHBondContact O-N 3.1Å; F1724-C1728 HydrophobicContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-SG 3.5Å; F1724-C1728 HydrophobicContact CD1-CB 4.02Å; F1724-C1728 WeakPolarHBondContact CD1-SG 3.38Å; F1724-C1728 HydrophobicContact CD2-CB 4.42Å; F1724-C1728 HydrophobicContact CG-CB 3.74Å; F1724-I1731 HydrophobicContact CD2-CD1 4.36Å; F1724-I1731 HydrophobicContact CE2-CD1 4.12Å | ||
| 1725 | S | 44.6 | Very low | 61.2 | Low | 93 Ų | 93 | 49.8 Ų | 49.8 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | trans | -78 | -179.7 | 177.2 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | N1727 C1728 | S1725-N1727 PolarHBondContact O-N 3.02Å; S1725-C1728 WeakPolarHBondContact O-CB 3.21Å; S1725-C1728 PolarHBondContact O-SG 3.17Å | ||
| 1726 | S | 50.3 | Low | 61.4 | Low | 121 Ų | 121 | 50 Ų | 50 | 85% | 0.846 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -59.7 | -15.1 | -170.1 | 57.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1727 | N | 51.9 | Low | 61.7 | Low | 125 Ų | 125 | 49.9 Ų | 49.9 | 67% | 0.668 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -114.3 | 71.4 | -179.6 | -65.7 | 15.2 | 0 | 0 | 0 | 109.8 | S1725 | S1725-N1727 PolarHBondContact O-N 3.02Š|
| 1728 | C | 58.6 | Low | 61.5 | Low | 50 Ų | 50 | 48 Ų | 48 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | trans | -142.2 | 159.5 | -172.5 | -80.6 | 0 | 0 | 0 | 0 | 114.6 | F1724 S1725 | F1724-C1728 HydrophobicContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-SG 3.5Å; F1724-C1728 HydrophobicContact CD1-CB 4.02Å; F1724-C1728 WeakPolarHBondContact CD1-SG 3.38Å; F1724-C1728 HydrophobicContact CD2-CB 4.42Å; F1724-C1728 HydrophobicContact CG-CB 3.74Å; S1725-C1728 WeakPolarHBondContact O-CB 3.21Å; S1725-C1728 PolarHBondContact O-SG 3.17Å | ||
| 1729 | P | 66.5 | Low | 61.1 | Low | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 146.1 | -170.5 | -17.8 | 31.8 | 0 | 0 | 0 | 112.4 | P1700 I1703 | P1700-P1729 HydrophobicContact CG-CG 4.22Å; P1700-P1729 VanDerWaalsContact O-CB 3.25Å; P1700-P1729 WeakPolarHBondContact O-CB 3.5Å; P1700-P1729 VanDerWaalsContact O-CG 3.27Å; P1700-P1729 WeakPolarHBondContact O-CG 3.45Å; I1703-P1729 HydrophobicContact CD1-CB 3.74Å; I1703-P1729 HydrophobicContact CD1-CG 3.81Å; I1703-P1729 HydrophobicContact CG1-CB 3.81Å; I1703-P1729 HydrophobicContact CG1-CG 4.3Å |
| 1730 | K | 71.7 | Confident | 60.4 | Low | 65 Ų | 65 | 53.2 Ų | 53.2 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.7 | 168.2 | -89.3 | 168.6 | 167.9 | 161 | 0 | 110.5 | I1630 R1631 N1633 E1701 V1702 I1703 | I1630-K1730 WeakPolarHBondContact O-CD 3.39Å; I1630-K1730 WeakPolarHBondContact O-CE 3.25Å; R1631-K1730 WeakPolarHBondContact O-CE 3.35Å; R1631-K1730 PolarHBondContact O-NZ 3.41Å; N1633-K1730 WeakPolarHBondContact O-CE 3.49Å; E1701-K1730 PolarHBondContact O-N 3.24Å; V1702-K1730 CarbonylContact C-O 3.59Å; V1702-K1730 WeakPolarHBondContact CA-O 3.11Å; V1702-K1730 HydrophobicContact CG1-CB 4.49Å; V1702-K1730 WeakPolarHBondContact CG1-O 3.17Å; I1703-K1730 PolarHBondContact N-O 3.08Å |
| 1731 | I | 71.3 | Confident | 59.9 | Low | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.5 | -179.5 | -54.7 | 179.7 | 0 | 0 | 0 | 109.2 | S1634 I1635 V1636 I1703 L1705 L1722 F1724 | S1634-I1731 PolarHBondContact O-N 2.93Å; I1635-I1731 WeakPolarHBondContact CA-O 3.14Å; I1635-I1731 HydrophobicContact CB-CB 4.49Å; I1635-I1731 HydrophobicContact CD1-CD1 4.29Å; I1635-I1731 HydrophobicContact CG1-CB 4.3Å; I1635-I1731 HydrophobicContact CG1-CD1 4.26Å; I1635-I1731 HydrophobicContact CG2-CB 4.13Å; I1635-I1731 HydrophobicContact CG2-CG2 4.27Å; V1636-I1731 PolarHBondContact N-O 3.16Å; I1703-I1731 CarbonylContact O-C 3.54Å; I1703-I1731 WeakPolarHBondContact O-CA 3.04Å; L1705-I1731 HydrophobicContact CD1-CG2 3.55Å; L1705-I1731 HydrophobicContact CG-CG2 3.9Å; L1722-I1731 HydrophobicContact CD1-CD1 4.32Å; F1724-I1731 HydrophobicContact CD2-CD1 4.36Å; F1724-I1731 HydrophobicContact CE2-CD1 4.12Å |
| 1732 | V | 77.6 | Confident | 60.1 | Low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 108.6 | 179.7 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | I1630 V1636 V1650 V1702 I1703 N1704 L1705 | I1630-V1732 HydrophobicContact CD1-CG1 4.36Å; I1630-V1732 HydrophobicContact CG2-CG2 3.71Å; V1636-V1732 CarbonylContact O-C 3.6Å; V1636-V1732 WeakPolarHBondContact O-CA 3.26Å; V1650-V1732 HydrophobicContact CB-CG1 4.32Å; V1650-V1732 HydrophobicContact CG1-CB 4.12Å; V1650-V1732 HydrophobicContact CG1-CG1 3.73Å; V1650-V1732 HydrophobicContact CG2-CG1 3.73Å; V1702-V1732 HydrophobicContact CG1-CG2 3.9Å; I1703-V1732 PolarHBondContact O-N 2.85Å; N1704-V1732 CarbonylContact C-O 3.48Å; N1704-V1732 VanDerWaalsContact CA-O 3.31Å; N1704-V1732 WeakPolarHBondContact CA-O 3.36Å; L1705-V1732 PolarHBondContact N-O 3.41Å |
| 1733 | G | 76.8 | Confident | 59.9 | Low | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 157.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1636 I1638 L1705 | V1636-G1733 PolarHBondContact O-N 2.82Å; I1638-G1733 PolarHBondContact N-O 3.28Å; L1705-G1733 CarbonylContact O-C 3.49Å; L1705-G1733 VanDerWaalsContact O-CA 3.24Å; L1705-G1733 WeakPolarHBondContact O-CA 3.35Å |
| 1734 | T | 77.8 | Confident | 60 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.2 | 162.1 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | I1638 K1646 S1647 V1650 L1705 L1706 N1707 I1708 | I1638-T1734 WeakPolarHBondContact O-CA 3.5Å; K1646-T1734 HydrophobicContact CB-CG2 4.06Å; S1647-T1734 PolarHBondContact OG-OG1 3.39Å; V1650-T1734 HydrophobicContact CB-CG2 4.1Å; V1650-T1734 HydrophobicContact CG2-CG2 3.4Å; L1705-T1734 PolarHBondContact O-N 2.94Å; L1706-T1734 HydrophobicContact CD2-CG2 4.04Å; N1707-T1734 PolarHBondContact N-O 3.25Å; N1707-T1734 PolarHBondContact N-OG1 2.92Å; I1708-T1734 WeakPolarHBondContact CB-O 3.27Å; I1708-T1734 WeakPolarHBondContact CG1-O 3.31Å; I1708-T1734 PolarHBondContact N-O 3.25Å |
| 1735 | S | 72.6 | Confident | 59.9 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.2 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | I1638 Y1639 G1640 K1646 N1739 | I1638-S1735 PolarHBondContact O-N 2.89Å; Y1639-S1735 WeakPolarHBondContact CA-O 3.01Å; Y1639-S1735 WeakPolarHBondContact CE1-OG 3.41Å; G1640-S1735 PolarHBondContact N-O 3.47Å; K1646-S1735 WeakPolarHBondContact CE-O 3.4Å; S1735-N1739 PolarHBondContact OG-ND2 2.83Å |
| 1736 | G | 66.6 | Low | 60.4 | Low | 14 Ų | 14 | 50 Ų | 50 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 162.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1737 | T | 60.9 | Low | 60.5 | Low | 41 Ų | 41 | 51.3 Ų | 51.3 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 138.4 | 165.8 | 38.8 | 0 | 0 | 0 | 0 | 111.6 | G1640 | G1640-T1737 PolarHBondContact O-N 3.41Š|
| 1738 | G | 54.1 | Low | 60.5 | Low | 23 Ų | 23 | 52.8 Ų | 52.8 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 114.6 | -6.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117 | I1740 Q1835 | G1738-I1740 PolarHBondContact O-N 2.81Å; G1738-Q1835 PolarHBondContact O-NE2 3.38Å |
| 1739 | N | 53.8 | Low | 60.1 | Low | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | trans | -76.2 | 86.2 | -179.5 | -76.8 | -14.1 | 0 | 0 | 0 | 112.8 | Q1709 S1735 E1741 L1742 E1743 | Q1709-N1739 WeakPolarHBondContact CA-ND2 3.36Å; Q1709-N1739 VanDerWaalsContact CB-ND2 3.35Å; Q1709-N1739 WeakPolarHBondContact CB-ND2 3.3Å; S1735-N1739 PolarHBondContact OG-ND2 2.83Å; N1739-E1741 PolarHBondContact O-N 3.1Å; N1739-E1741 VanDerWaalsContact O-N 3.16Å; N1739-L1742 HydrophobicContact CB-CB 4.15Å; N1739-L1742 HydrophobicContact CB-CD1 3.83Å; N1739-L1742 HydrophobicContact CB-CG 4.34Å; N1739-L1742 PolarHBondContact O-N 3.08Å; N1739-E1743 PolarHBondContact O-N 2.65Å | ||
| 1740 | I | 49.8 | Very low | 59.8 | Low | 79 Ų | 79 | 60.8 Ų | 60.8 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -53.6 | -35.3 | 179.5 | -56.5 | 174.8 | 0 | 0 | 0 | 112.4 | G1738 L1742 E1743 K1744 Q1835 | G1738-I1740 PolarHBondContact O-N 2.81Å; I1740-L1742 VanDerWaalsContact C-N 3.34Å; I1740-L1742 PolarHBondContact O-N 3.21Å; I1740-E1743 PolarHBondContact O-N 2.7Å; I1740-K1744 HydrophobicContact CG2-CD 4.41Å; I1740-K1744 WeakPolarHBondContact O-CG 3.49Å; I1740-K1744 PolarHBondContact O-N 2.96Å; I1740-K1744 VanDerWaalsContact O-N 3.15Å; I1740-Q1835 HydrophobicContact CG1-CG 4.48Å |
| 1741 | E | 47.9 | Very low | 59.5 | Low | 124 Ų | 124 | 58.6 Ų | 58.6 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.9 | -37.9 | 178.7 | -61.5 | -159.1 | 156.3 | 0 | 0 | 112.9 | F1715 N1739 K1744 F1745 | F1715-E1741 HydrophobicContact CD2-CB 4.42Å; N1739-E1741 PolarHBondContact O-N 3.1Å; N1739-E1741 VanDerWaalsContact O-N 3.16Å; E1741-K1744 PolarHBondContact O-N 2.81Å; E1741-F1745 PolarHBondContact O-N 3.47Å |
| 1742 | L | 53.5 | Low | 59.5 | Low | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 177.4 | -82.5 | 163.6 | 0 | 0 | 0 | 111.1 | I1637 Y1639 I1708 F1715 N1739 I1740 K1744 F1745 L1746 | I1637-L1742 HydrophobicContact CD1-CD2 4.44Å; Y1639-L1742 HydrophobicContact CE1-CB 4.31Å; Y1639-L1742 HydrophobicContact CE1-CD1 4.12Å; Y1639-L1742 VanDerWaalsContact OH-CB 3.3Å; Y1639-L1742 WeakPolarHBondContact OH-CB 3.36Å; Y1639-L1742 WeakPolarHBondContact OH-CD1 3.32Å; I1708-L1742 HydrophobicContact CG2-CD1 4.22Å; F1715-L1742 HydrophobicContact CB-CD2 4.08Å; F1715-L1742 HydrophobicContact CD1-CD2 3.61Å; F1715-L1742 HydrophobicContact CD1-CG 4.26Å; F1715-L1742 HydrophobicContact CD2-CD1 4.42Å; F1715-L1742 HydrophobicContact CD2-CD2 3.71Å; F1715-L1742 HydrophobicContact CD2-CG 3.66Å; F1715-L1742 HydrophobicContact CE1-CD1 4.12Å; F1715-L1742 HydrophobicContact CE1-CD2 3.95Å; F1715-L1742 HydrophobicContact CE1-CG 4.22Å; F1715-L1742 HydrophobicContact CE2-CD1 3.92Å; F1715-L1742 HydrophobicContact CE2-CD2 4.05Å; F1715-L1742 HydrophobicContact CE2-CG 3.62Å; F1715-L1742 HydrophobicContact CG-CD2 3.48Å; F1715-L1742 VanDerWaalsContact CG-CD2 3.48Å; F1715-L1742 HydrophobicContact CG-CG 3.99Å; F1715-L1742 HydrophobicContact CZ-CD1 3.74Å; F1715-L1742 HydrophobicContact CZ-CD2 4.15Å; F1715-L1742 HydrophobicContact CZ-CG 3.9Å; N1739-L1742 HydrophobicContact CB-CB 4.15Å; N1739-L1742 HydrophobicContact CB-CD1 3.83Å; N1739-L1742 HydrophobicContact CB-CG 4.34Å; N1739-L1742 PolarHBondContact O-N 3.08Å; I1740-L1742 VanDerWaalsContact C-N 3.34Å; I1740-L1742 PolarHBondContact O-N 3.21Å; L1742-K1744 VanDerWaalsContact C-N 3.25Å; L1742-K1744 PolarHBondContact O-N 3.2Å; L1742-F1745 PolarHBondContact O-N 2.84Å; L1742-L1746 WeakPolarHBondContact O-CB 3.48Å; L1742-L1746 WeakPolarHBondContact O-CD1 3.39Å; L1742-L1746 PolarHBondContact O-N 3.25Å |
| 1743 | E | 52.1 | Low | 59.3 | Low | 109 Ų | 109 | 64.6 Ų | 64.6 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59 | -36.3 | 175.9 | -67.6 | -176.3 | 160.9 | 0 | 0 | 112.4 | N1739 I1740 | N1739-E1743 PolarHBondContact O-N 2.65Å; I1740-E1743 PolarHBondContact O-N 2.7Å |
| 1744 | K | 50.8 | Low | 59.4 | Low | 151 Ų | 151 | 65 Ų | 65 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.8 | -44.9 | 173.4 | -70.4 | 177.8 | 179 | -179.8 | 0 | 112.4 | I1740 E1741 L1742 L1746 | I1740-K1744 HydrophobicContact CG2-CD 4.41Å; I1740-K1744 WeakPolarHBondContact O-CG 3.49Å; I1740-K1744 PolarHBondContact O-N 2.96Å; I1740-K1744 VanDerWaalsContact O-N 3.15Å; E1741-K1744 PolarHBondContact O-N 2.81Å; L1742-K1744 VanDerWaalsContact C-N 3.25Å; L1742-K1744 PolarHBondContact O-N 3.2Å; K1744-L1746 VanDerWaalsContact C-N 3.3Å; K1744-L1746 PolarHBondContact O-N 3.21Å |
| 1745 | F | 49.4 | Very low | 59.2 | Low | 58 Ų | 58 | 69.2 Ų | 69.2 | 25% | 0.254 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.8 | -22.5 | -177.5 | -105.3 | -79.4 | 0 | 0 | 0 | 114.9 | S1716 E1741 L1742 I1747 | S1716-F1745 VanDerWaalsContact CB-CE1 3.4Å; S1716-F1745 WeakPolarHBondContact OG-CE1 3.11Å; E1741-F1745 PolarHBondContact O-N 3.47Å; L1742-F1745 PolarHBondContact O-N 2.84Å; F1745-I1747 VanDerWaalsContact C-N 3.25Å; F1745-I1747 PolarHBondContact O-N 2.9Å |
| 1746 | L | 54.7 | Low | 59.4 | Low | 24 Ų | 24 | 69.3 Ų | 69.3 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.8 | -175.2 | -112 | 133.2 | 0 | 0 | 0 | 115.3 | Y1639 L1742 K1744 I1751 V1753 | Y1639-L1746 HydrophobicContact CE2-CD1 3.98Å; Y1639-L1746 WeakPolarHBondContact OH-CD1 3.5Å; L1742-L1746 WeakPolarHBondContact O-CB 3.48Å; L1742-L1746 WeakPolarHBondContact O-CD1 3.39Å; L1742-L1746 PolarHBondContact O-N 3.25Å; K1744-L1746 VanDerWaalsContact C-N 3.3Å; K1744-L1746 PolarHBondContact O-N 3.21Å; L1746-I1751 HydrophobicContact CD2-CB 3.88Å; L1746-I1751 HydrophobicContact CD2-CG2 3.71Å; L1746-I1751 WeakPolarHBondContact CD2-O 3.48Å; L1746-I1751 HydrophobicContact CG-CB 4.14Å; L1746-I1751 HydrophobicContact CG-CG2 3.97Å; L1746-V1753 HydrophobicContact CD1-CG2 3.44Å; L1746-V1753 VanDerWaalsContact CD1-CG2 3.44Å; L1746-V1753 HydrophobicContact CD2-CB 4.2Å; L1746-V1753 HydrophobicContact CD2-CG2 3.46Å; L1746-V1753 VanDerWaalsContact CD2-CG2 3.46Å; L1746-V1753 HydrophobicContact CG-CG2 4Å |
| 1747 | I | 51.8 | Low | 59.5 | Low | 149 Ų | 149 | 69 Ų | 69 | 76% | 0.764 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -27.1 | -179.6 | -59 | 177.3 | 0 | 0 | 0 | 111.5 | F1745 | F1745-I1747 VanDerWaalsContact C-N 3.25Å; F1745-I1747 PolarHBondContact O-N 2.9Å |
| 1748 | E | 51.7 | Low | 59.8 | Low | 155 Ų | 155 | 69.6 Ų | 69.6 | 72% | 0.724 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -12.3 | -171.4 | -61.2 | -171.7 | 154.8 | 0 | 0 | 114.5 | ||
| 1749 | N | 51.3 | Low | 60.6 | Low | 59 Ų | 59 | 72 Ų | 72 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -127.8 | 159.3 | 177.5 | -69.2 | -87.4 | 0 | 0 | 0 | 110.3 | I1751 | N1749-I1751 HydrophobicContact CB-CD1 4.36Å; N1749-I1751 HydrophobicContact CB-CG1 4.19Å; N1749-I1751 PolarHBondContact O-N 3.5Å |
| 1750 | Q | 60.4 | Low | 61.4 | Low | 166 Ų | 166 | 70.5 Ų | 70.5 | 78% | 0.776 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -74.5 | 49.7 | -177.1 | -63.4 | -179.2 | -6 | 0 | 0 | 113.5 | ||
| 1751 | I | 65.2 | Low | 62.6 | Low | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 140.6 | 175.3 | -51.3 | 179.7 | 0 | 0 | 0 | 107 | I1635 I1637 F1719 L1746 N1749 | I1635-I1751 HydrophobicContact CB-CG1 4.17Å; I1635-I1751 HydrophobicContact CB-CG2 4.35Å; I1635-I1751 HydrophobicContact CD1-CG1 4.38Å; I1635-I1751 HydrophobicContact CG2-CB 4.45Å; I1635-I1751 HydrophobicContact CG2-CG1 4.11Å; I1635-I1751 HydrophobicContact CG2-CG2 3.88Å; I1635-I1751 WeakPolarHBondContact O-CA 3.39Å; I1637-I1751 HydrophobicContact CD1-CG2 3.91Å; I1637-I1751 HydrophobicContact CG1-CG2 4.08Å; F1719-I1751 HydrophobicContact CB-CD1 4.34Å; F1719-I1751 HydrophobicContact CD1-CD1 4.22Å; F1719-I1751 HydrophobicContact CD2-CD1 3.67Å; F1719-I1751 HydrophobicContact CE1-CD1 4.48Å; F1719-I1751 HydrophobicContact CE2-CD1 3.96Å; F1719-I1751 HydrophobicContact CG-CD1 3.82Å; F1719-I1751 HydrophobicContact CZ-CD1 4.37Å; L1746-I1751 HydrophobicContact CD2-CB 3.88Å; L1746-I1751 HydrophobicContact CD2-CG2 3.71Å; L1746-I1751 WeakPolarHBondContact CD2-O 3.48Å; L1746-I1751 HydrophobicContact CG-CB 4.14Å; L1746-I1751 HydrophobicContact CG-CG2 3.97Å; N1749-I1751 HydrophobicContact CB-CD1 4.36Å; N1749-I1751 HydrophobicContact CB-CG1 4.19Å; N1749-I1751 PolarHBondContact O-N 3.5Å |
| 1752 | K | 71.1 | Confident | 63.9 | Low | 78 Ų | 78 | 68.4 Ų | 68.4 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125 | 174.8 | -170.9 | 163 | 166.5 | -150.6 | 0 | 112.2 | T1629 N1633 I1635 V1636 I1637 | T1629-K1752 HydrophobicContact CG2-CB 4.43Å; T1629-K1752 HydrophobicContact CG2-CD 3.66Å; T1629-K1752 HydrophobicContact CG2-CG 3.93Å; T1629-K1752 PolarHBondContact OG1-NZ 3.06Å; N1633-K1752 HydrophobicContact CB-CB 4.46Å; I1635-K1752 PolarHBondContact O-N 3.03Å; V1636-K1752 WeakPolarHBondContact CA-O 3.08Å; V1636-K1752 HydrophobicContact CG2-CB 4.47Å; I1637-K1752 PolarHBondContact N-O 2.83Å |
| 1753 | V | 73.6 | Confident | 65 | Low | 54 Ų | 54 | 68.2 Ų | 68.2 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.7 | 167.5 | 159.1 | 0 | 0 | 0 | 0 | 109.5 | I1637 Y1639 L1746 N1755 | I1637-V1753 WeakPolarHBondContact O-CA 3.41Å; Y1639-V1753 HydrophobicContact CD2-CB 4.24Å; Y1639-V1753 HydrophobicContact CD2-CG1 3.96Å; Y1639-V1753 HydrophobicContact CD2-CG2 3.66Å; Y1639-V1753 HydrophobicContact CE2-CB 4.38Å; Y1639-V1753 HydrophobicContact CE2-CG2 3.42Å; Y1639-V1753 VanDerWaalsContact CE2-CG2 3.42Å; L1746-V1753 HydrophobicContact CD1-CG2 3.44Å; L1746-V1753 VanDerWaalsContact CD1-CG2 3.44Å; L1746-V1753 HydrophobicContact CD2-CB 4.2Å; L1746-V1753 HydrophobicContact CD2-CG2 3.46Å; L1746-V1753 VanDerWaalsContact CD2-CG2 3.46Å; L1746-V1753 HydrophobicContact CG-CG2 4Å; V1753-N1755 WeakPolarHBondContact CG1-OD1 3.42Å |
| 1754 | I | 77.6 | Confident | 66.3 | Low | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.4 | 153.6 | -68.1 | 175.4 | 0 | 0 | 0 | 107 | Y1626 T1629 I1630 V1636 I1637 I1638 Y1639 | Y1626-I1754 HydrophobicContact CD1-CD1 4.04Å; Y1626-I1754 HydrophobicContact CD1-CG1 4.42Å; Y1626-I1754 HydrophobicContact CD1-CG2 3.51Å; Y1626-I1754 HydrophobicContact CD2-CG2 4.2Å; Y1626-I1754 HydrophobicContact CE1-CG2 3.24Å; Y1626-I1754 HydrophobicContact CE2-CG2 3.96Å; Y1626-I1754 HydrophobicContact CG-CD1 4.02Å; Y1626-I1754 HydrophobicContact CG-CG2 3.99Å; Y1626-I1754 VanDerWaalsContact CZ-CG2 3.47Å; T1629-I1754 HydrophobicContact CG2-CD1 3.73Å; T1629-I1754 HydrophobicContact CG2-CG1 3.68Å; I1630-I1754 HydrophobicContact CD1-CD1 4.47Å; I1630-I1754 HydrophobicContact CG1-CD1 4.29Å; V1636-I1754 HydrophobicContact CG1-CD1 3.58Å; V1636-I1754 HydrophobicContact CG1-CG1 3.83Å; I1637-I1754 PolarHBondContact O-N 2.9Å; I1638-I1754 CarbonylContact C-O 3.54Å; I1638-I1754 WeakPolarHBondContact CA-O 2.91Å; I1638-I1754 HydrophobicContact CG1-CB 4.26Å; I1638-I1754 HydrophobicContact CG1-CD1 4.38Å; I1638-I1754 HydrophobicContact CG2-CG2 4.24Å; Y1639-I1754 PolarHBondContact N-O 2.9Å |
| 1755 | N | 74.7 | Confident | 67.8 | Low | 92 Ų | 92 | 60.8 Ų | 60.8 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 123.8 | 165.8 | -77.3 | -9.8 | 0 | 0 | 0 | 109 | Y1626 V1753 S1758 | Y1626-N1755 PolarHBondContact OH-O 3.47Å; Y1626-N1755 VanDerWaalsContact OH-O 3.06Å; V1753-N1755 WeakPolarHBondContact CG1-OD1 3.42Å; N1755-S1758 WeakPolarHBondContact CB-OG 3.27Å |
| 1756 | H | 75.5 | Confident | 69.5 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | trans | -115 | 113.3 | -175.7 | 172.6 | 78.1 | 0 | 0 | 0 | 110.7 | Y1626 I1638 Y1639 T1644 K1646 S1758 | Y1626-H1756 AromaticContact CE2-ND1 3.71Å; Y1626-H1756 WeakPolarHBondContact OH-CA 3.49Å; I1638-H1756 HydrophobicContact CG2-CB 3.48Å; I1638-H1756 VanDerWaalsContact CG2-CB 3.48Å; Y1639-H1756 WeakPolarHBondContact O-CB 3.5Å; Y1639-H1756 PolarHBondContact O-N 3.39Å; T1644-H1756 PolarHBondContact O-NE2 3.04Å; K1646-H1756 HydrophobicContact CD-CB 4.44Å; K1646-H1756 HydrophobicContact CG-CB 4.4Å; K1646-H1756 VanDerWaalsContact CG-CD2 3.41Å; K1646-H1756 WeakPolarHBondContact CG-CD2 3.19Å; H1756-S1758 PolarHBondContact O-N 3.45Å | ||
| 1757 | L | 70.4 | Confident | 70.9 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 51 | 52.3 | -175.5 | -54 | 178 | 0 | 0 | 0 | 111.8 | T1644 D1762 A1763 Y1766 I1838 | T1644-L1757 HydrophobicContact CG2-CD1 4.44Å; L1757-D1762 HydrophobicContact CD2-CB 3.89Å; L1757-A1763 HydrophobicContact CB-CB 4.34Å; L1757-Y1766 HydrophobicContact CD1-CD1 3.96Å; L1757-Y1766 HydrophobicContact CD1-CD2 3.63Å; L1757-Y1766 HydrophobicContact CD1-CE1 4.43Å; L1757-Y1766 HydrophobicContact CD1-CE2 4.1Å; L1757-Y1766 HydrophobicContact CD1-CG 3.55Å; L1757-I1838 VanDerWaalsContact O-CD1 3.22Å; L1757-I1838 WeakPolarHBondContact O-CD1 3.44Å |
| 1758 | S | 66.3 | Low | 72.5 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | trans | -93.9 | -16.1 | 177.4 | 61.2 | 0 | 0 | 0 | 0 | 114 | N1755 H1756 | N1755-S1758 WeakPolarHBondContact CB-OG 3.27Å; H1756-S1758 PolarHBondContact O-N 3.45Å | ||
| 1759 | D | 70.3 | Confident | 74.1 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.5 | 143.1 | 168.5 | -161.9 | -54.9 | 0 | 0 | 0 | 109 | N1761 D1762 A1763 | D1759-N1761 PolarHBondContact O-N 3.47Å; D1759-N1761 WeakPolarHBondContact OD1-CB 3.37Å; D1759-N1761 PolarHBondContact OD1-N 3.22Å; D1759-N1761 PolarHBondContact OD1-ND2 3.14Å; D1759-D1762 HydrophobicContact CB-CB 4.23Å; D1759-A1763 VanDerWaalsContact O-CB 3.29Å; D1759-A1763 WeakPolarHBondContact O-CB 3.43Å; D1759-A1763 PolarHBondContact O-N 3.18Å |
| 1760 | I | 70.7 | Confident | 75.6 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.1 | -39 | 173.7 | -33.3 | 179.6 | 0 | 0 | 0 | 109.9 | A1763 K1764 W1820 N1824 E1825 Y1828 | I1760-A1763 PolarHBondContact O-N 3.06Å; I1760-K1764 WeakPolarHBondContact O-CB 3.49Å; I1760-K1764 PolarHBondContact O-N 3.42Å; I1760-W1820 HydrophobicContact CG2-CH2 4.35Å; I1760-W1820 HydrophobicContact CG2-CZ3 3.87Å; I1760-N1824 HydrophobicContact CG2-CB 4.33Å; I1760-E1825 VanDerWaalsContact CD1-OE1 3.31Å; I1760-E1825 WeakPolarHBondContact CD1-OE1 3.43Å; I1760-Y1828 HydrophobicContact CD1-CD2 3.59Å; I1760-Y1828 HydrophobicContact CD1-CE2 3.18Å; I1760-Y1828 HydrophobicContact CG1-CD2 4.32Å; I1760-Y1828 HydrophobicContact CG1-CE2 3.42Å; I1760-Y1828 VanDerWaalsContact CG1-CE2 3.42Å |
| 1761 | N | 74.6 | Confident | 76.8 | Confident | 90 Ų | 90 | 36.3 Ų | 36.3 | 48% | 0.481 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.5 | -48.8 | -173.4 | -59.3 | -72.9 | 0 | 0 | 0 | 111.3 | D1759 A1763 K1764 E1765 | D1759-N1761 PolarHBondContact O-N 3.47Å; D1759-N1761 WeakPolarHBondContact OD1-CB 3.37Å; D1759-N1761 PolarHBondContact OD1-N 3.22Å; D1759-N1761 PolarHBondContact OD1-ND2 3.14Å; N1761-A1763 VanDerWaalsContact C-N 3.25Å; N1761-A1763 PolarHBondContact O-N 2.91Å; N1761-K1764 WeakPolarHBondContact O-CB 3.18Å; N1761-K1764 PolarHBondContact O-N 2.93Å; N1761-K1764 VanDerWaalsContact O-N 3.15Å; N1761-E1765 WeakPolarHBondContact O-CG 3.49Å; N1761-E1765 PolarHBondContact O-N 2.84Å |
| 1762 | D | 75.5 | Confident | 77.8 | Confident | 69 Ų | 69 | 36 Ų | 36 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.6 | -45.1 | 172.4 | -71.2 | -3.7 | 0 | 0 | 0 | 111.5 | L1757 D1759 Y1766 | L1757-D1762 HydrophobicContact CD2-CB 3.89Å; D1759-D1762 HydrophobicContact CB-CB 4.23Å; D1762-Y1766 VanDerWaalsContact O-CB 3.31Å; D1762-Y1766 WeakPolarHBondContact O-CB 3.28Å; D1762-Y1766 PolarHBondContact O-N 3.2Å |
| 1763 | A | 77.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.6 | -34.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1757 D1759 I1760 N1761 L1767 W1820 I1841 | L1757-A1763 HydrophobicContact CB-CB 4.34Å; D1759-A1763 VanDerWaalsContact O-CB 3.29Å; D1759-A1763 WeakPolarHBondContact O-CB 3.43Å; D1759-A1763 PolarHBondContact O-N 3.18Å; I1760-A1763 PolarHBondContact O-N 3.06Å; N1761-A1763 VanDerWaalsContact C-N 3.25Å; N1761-A1763 PolarHBondContact O-N 2.91Å; A1763-L1767 WeakPolarHBondContact O-CB 3.19Å; A1763-L1767 PolarHBondContact O-N 2.72Å; A1763-W1820 HydrophobicContact CB-CH2 3.42Å; A1763-W1820 VanDerWaalsContact CB-CH2 3.42Å; A1763-W1820 HydrophobicContact CB-CZ2 4.22Å; A1763-W1820 HydrophobicContact CB-CZ3 4.1Å; A1763-I1841 HydrophobicContact CB-CD1 3.83Å |
| 1764 | K | 79.9 | Confident | 78.8 | Confident | 53 Ų | 53 | 33.3 Ų | 33.3 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -53.2 | 172.6 | -175.2 | -165.4 | -174.4 | -173.8 | 0 | 110.8 | I1760 N1761 Y1766 L1767 E1768 T1817 W1820 N1821 | I1760-K1764 WeakPolarHBondContact O-CB 3.49Å; I1760-K1764 PolarHBondContact O-N 3.42Å; N1761-K1764 WeakPolarHBondContact O-CB 3.18Å; N1761-K1764 PolarHBondContact O-N 2.93Å; N1761-K1764 VanDerWaalsContact O-N 3.15Å; K1764-Y1766 VanDerWaalsContact C-N 3.3Å; K1764-Y1766 PolarHBondContact O-N 3.36Å; K1764-L1767 WeakPolarHBondContact O-CB 3.32Å; K1764-L1767 PolarHBondContact O-N 3.19Å; K1764-L1767 VanDerWaalsContact O-N 3.11Å; K1764-E1768 PolarHBondContact O-N 2.73Å; K1764-T1817 HydrophobicContact CD-CG2 4.13Å; K1764-T1817 HydrophobicContact CG-CG2 3.33Å; K1764-W1820 HydrophobicContact CB-CZ3 4.25Å; K1764-N1821 VanDerWaalsContact CB-OD1 3.29Å; K1764-N1821 WeakPolarHBondContact CB-OD1 3.26Å; K1764-N1821 WeakPolarHBondContact CD-OD1 3.3Å; K1764-N1821 WeakPolarHBondContact CG-OD1 3.32Å |
| 1765 | E | 82.5 | Confident | 79.1 | Confident | 50 Ų | 50 | 32.9 Ų | 32.9 | 23% | 0.234 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | -179.5 | -63.6 | 176.5 | 173.8 | 0 | 0 | 111.6 | Q1490 N1761 E1768 R1769 | Q1490-E1765 VanDerWaalsContact NE2-CD 3.29Å; Q1490-E1765 PolarHBondContact NE2-OE1 3.44Å; Q1490-E1765 PolarHBondContact OE1-OE1 3.49Å; Q1490-E1765 PolarHBondContact OE1-OE2 3.07Å; N1761-E1765 WeakPolarHBondContact O-CG 3.49Å; N1761-E1765 PolarHBondContact O-N 2.84Å; E1765-E1768 PolarHBondContact O-N 2.92Å; E1765-R1769 WeakPolarHBondContact O-CB 3.39Å; E1765-R1769 VanDerWaalsContact O-CG 3.29Å; E1765-R1769 WeakPolarHBondContact O-CG 3.39Å; E1765-R1769 PolarHBondContact O-N 3.04Å; E1765-R1769 PolarHBondContact O-NE 3.08Å; E1765-R1769 IonicContact OE2-CZ 2.88Å; E1765-R1769 IonicContact OE2-NH1 2.78Å; E1765-R1769 IonicContact OE2-NH2 3.23Å; E1765-R1769 PolarHBondContact OE2-NH2 3.13Å |
| 1766 | Y | 83.9 | Confident | 79.3 | Confident | 29 Ų | 29 | 28.6 Ų | 28.6 | 11% | 0.114 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 171 | 176.8 | -85 | 0 | 0 | 0 | 111.8 | S1616 I1618 L1757 D1762 K1764 S1770 I1841 | S1616-Y1766 VanDerWaalsContact O-CE2 3.31Å; S1616-Y1766 WeakPolarHBondContact O-CE2 3.48Å; I1618-Y1766 HydrophobicContact CG1-CD2 4.41Å; I1618-Y1766 HydrophobicContact CG1-CE2 4.33Å; L1757-Y1766 HydrophobicContact CD1-CD1 3.96Å; L1757-Y1766 HydrophobicContact CD1-CD2 3.63Å; L1757-Y1766 HydrophobicContact CD1-CE1 4.43Å; L1757-Y1766 HydrophobicContact CD1-CE2 4.1Å; L1757-Y1766 HydrophobicContact CD1-CG 3.55Å; D1762-Y1766 VanDerWaalsContact O-CB 3.31Å; D1762-Y1766 WeakPolarHBondContact O-CB 3.28Å; D1762-Y1766 PolarHBondContact O-N 3.2Å; K1764-Y1766 VanDerWaalsContact C-N 3.3Å; K1764-Y1766 PolarHBondContact O-N 3.36Å; Y1766-S1770 VanDerWaalsContact O-CB 3.23Å; Y1766-S1770 WeakPolarHBondContact O-CB 3.24Å; Y1766-S1770 PolarHBondContact O-N 3.25Å; Y1766-S1770 PolarHBondContact O-OG 3.3Å; Y1766-I1841 HydrophobicContact CD1-CD1 4.09Å; Y1766-I1841 HydrophobicContact CD1-CG2 4.48Å |
| 1767 | L | 84.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 175 | 175.3 | 59 | 0 | 0 | 0 | 111.2 | A1763 K1764 S1770 L1771 W1820 I1841 F1844 L1845 | A1763-L1767 WeakPolarHBondContact O-CB 3.19Å; A1763-L1767 PolarHBondContact O-N 2.72Å; K1764-L1767 WeakPolarHBondContact O-CB 3.32Å; K1764-L1767 PolarHBondContact O-N 3.19Å; K1764-L1767 VanDerWaalsContact O-N 3.11Å; L1767-S1770 PolarHBondContact O-N 3.4Å; L1767-L1771 HydrophobicContact CD1-CD1 3.76Å; L1767-L1771 HydrophobicContact CD1-CD2 4.46Å; L1767-L1771 HydrophobicContact CD1-CG 3.85Å; L1767-L1771 HydrophobicContact CG-CD1 4.02Å; L1767-L1771 HydrophobicContact CG-CG 4.45Å; L1767-L1771 WeakPolarHBondContact O-CB 3.44Å; L1767-L1771 WeakPolarHBondContact O-CG 3.39Å; L1767-L1771 PolarHBondContact O-N 2.97Å; L1767-W1820 HydrophobicContact CD2-CB 3.81Å; L1767-W1820 HydrophobicContact CD2-CD2 3.97Å; L1767-W1820 HydrophobicContact CD2-CE3 4.39Å; L1767-W1820 HydrophobicContact CD2-CG 3.71Å; L1767-I1841 HydrophobicContact CB-CG2 3.92Å; L1767-I1841 HydrophobicContact CD1-CG2 3.75Å; L1767-I1841 HydrophobicContact CD2-CG2 4.49Å; L1767-I1841 HydrophobicContact CG-CG2 4.25Å; L1767-F1844 HydrophobicContact CD1-CB 3.92Å; L1767-F1844 HydrophobicContact CD2-CB 4.33Å; L1767-L1845 HydrophobicContact CD1-CD2 3.83Å; L1767-L1845 HydrophobicContact CD1-CG 4.48Å |
| 1768 | E | 85.8 | Confident | 79.6 | Confident | 47 Ų | 47 | 31.2 Ų | 31.2 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -52.5 | 178.3 | -166.7 | 171.8 | 166.7 | 0 | 0 | 111.3 | K1764 E1765 S1770 L1771 N1772 T1817 | K1764-E1768 PolarHBondContact O-N 2.73Å; E1765-E1768 PolarHBondContact O-N 2.92Å; E1768-S1770 VanDerWaalsContact C-N 3.25Å; E1768-S1770 PolarHBondContact O-N 2.73Å; E1768-L1771 PolarHBondContact O-N 2.61Å; E1768-N1772 WeakPolarHBondContact O-CB 3.29Å; E1768-N1772 PolarHBondContact O-N 3.13Å; E1768-N1772 PolarHBondContact O-ND2 2.94Å; E1768-T1817 HydrophobicContact CB-CG2 4.09Å |
| 1769 | R | 85.3 | Confident | 79.8 | Confident | 8 Ų | 8 | 29 Ų | 29 | 3% | 0.03 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.3 | -41.4 | 174.8 | -74.2 | -175.5 | -85.7 | -101.5 | -3.9 | 111.9 | D1486 L1617 E1765 R1773 | D1486-R1769 HydrophobicContact CB-CG 4.48Å; D1486-R1769 IonicContact OD2-NH1 2.75Å; L1617-R1769 HydrophobicContact CB-CB 4.24Å; L1617-R1769 HydrophobicContact CD1-CB 4.23Å; L1617-R1769 HydrophobicContact CD2-CB 4.45Å; L1617-R1769 PolarHBondContact O-NE 3.06Å; E1765-R1769 WeakPolarHBondContact O-CB 3.39Å; E1765-R1769 VanDerWaalsContact O-CG 3.29Å; E1765-R1769 WeakPolarHBondContact O-CG 3.39Å; E1765-R1769 PolarHBondContact O-N 3.04Å; E1765-R1769 PolarHBondContact O-NE 3.08Å; E1765-R1769 IonicContact OE2-CZ 2.88Å; E1765-R1769 IonicContact OE2-NH1 2.78Å; E1765-R1769 IonicContact OE2-NH2 3.23Å; E1765-R1769 PolarHBondContact OE2-NH2 3.13Å; R1769-R1773 PolarHBondContact O-N 3.2Å; R1769-R1773 VanDerWaalsContact O-N 3.11Å |
| 1770 | S | 82.6 | Confident | 79.7 | Confident | 13 Ų | 13 | 25.7 Ų | 25.7 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.5 | -38.8 | -178.9 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | Y1766 L1767 E1768 K1774 L1845 | Y1766-S1770 VanDerWaalsContact O-CB 3.23Å; Y1766-S1770 WeakPolarHBondContact O-CB 3.24Å; Y1766-S1770 PolarHBondContact O-N 3.25Å; Y1766-S1770 PolarHBondContact O-OG 3.3Å; L1767-S1770 PolarHBondContact O-N 3.4Å; E1768-S1770 VanDerWaalsContact C-N 3.25Å; E1768-S1770 PolarHBondContact O-N 2.73Å; S1770-K1774 PolarHBondContact O-N 3.14Å; S1770-L1845 VanDerWaalsContact CB-CD2 3.44Å |
| 1771 | L | 86.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.2 | -39.6 | 174.7 | -70.6 | 176.9 | 0 | 0 | 0 | 111.3 | L1767 E1768 R1773 K1774 L1775 V1813 L1816 M1849 | L1767-L1771 HydrophobicContact CD1-CD1 3.76Å; L1767-L1771 HydrophobicContact CD1-CD2 4.46Å; L1767-L1771 HydrophobicContact CD1-CG 3.85Å; L1767-L1771 HydrophobicContact CG-CD1 4.02Å; L1767-L1771 HydrophobicContact CG-CG 4.45Å; L1767-L1771 WeakPolarHBondContact O-CB 3.44Å; L1767-L1771 WeakPolarHBondContact O-CG 3.39Å; L1767-L1771 PolarHBondContact O-N 2.97Å; E1768-L1771 PolarHBondContact O-N 2.61Å; L1771-R1773 VanDerWaalsContact C-N 3.29Å; L1771-R1773 PolarHBondContact O-N 3.29Å; L1771-K1774 PolarHBondContact O-N 2.96Å; L1771-K1774 VanDerWaalsContact O-N 3.09Å; L1771-L1775 WeakPolarHBondContact O-CB 3.35Å; L1771-L1775 PolarHBondContact O-N 3.34Å; L1771-V1813 HydrophobicContact CB-CB 4.42Å; L1771-V1813 HydrophobicContact CB-CG1 3.55Å; L1771-V1813 HydrophobicContact CB-CG2 4.05Å; L1771-V1813 HydrophobicContact CD1-CG1 4.12Å; L1771-L1816 HydrophobicContact CD1-CB 4.43Å; L1771-M1849 HydrophobicContact CD2-CE 3.95Å |
| 1772 | N | 86 | Confident | 78.8 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.6 | -40.9 | 173.2 | -70.8 | -15 | 0 | 0 | 0 | 111.5 | F1484 L1485 E1768 K1774 L1775 I1776 V1813 | F1484-N1772 HydrophobicContact CD1-CB 4.33Å; F1484-N1772 HydrophobicContact CE1-CB 4.09Å; L1485-N1772 HydrophobicContact CD2-CB 4.41Å; L1485-N1772 PolarHBondContact O-ND2 3.49Å; E1768-N1772 WeakPolarHBondContact O-CB 3.29Å; E1768-N1772 PolarHBondContact O-N 3.13Å; E1768-N1772 PolarHBondContact O-ND2 2.94Å; N1772-K1774 PolarHBondContact O-N 3.33Å; N1772-L1775 PolarHBondContact O-N 3.25Å; N1772-I1776 WeakPolarHBondContact O-CG1 3.45Å; N1772-I1776 PolarHBondContact O-N 2.81Å; N1772-V1813 WeakPolarHBondContact OD1-CG1 3.26Å |
| 1773 | R | 84.3 | Confident | 77.9 | Confident | 16 Ų | 16 | 25.3 Ų | 25.3 | 6% | 0.06 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 173 | 177.4 | 164.2 | -78.4 | 165.2 | -1 | 112.2 | Y1481 L1485 F1614 G1615 L1617 R1769 L1771 I1776 Q1777 | Y1481-R1773 PolarHBondContact OH-NE 2.71Å; L1485-R1773 VanDerWaalsContact CD2-CA 3.48Å; L1485-R1773 HydrophobicContact CD2-CB 3.6Å; L1485-R1773 HydrophobicContact CD2-CG 4.46Å; F1614-R1773 PolarHBondContact O-NH1 2.85Å; F1614-R1773 PolarHBondContact O-NH2 2.84Å; G1615-R1773 PolarHBondContact O-NH1 2.88Å; L1617-R1773 HydrophobicContact CD1-CB 4.42Å; R1769-R1773 PolarHBondContact O-N 3.2Å; R1769-R1773 VanDerWaalsContact O-N 3.11Å; L1771-R1773 VanDerWaalsContact C-N 3.29Å; L1771-R1773 PolarHBondContact O-N 3.29Å; R1773-I1776 PolarHBondContact O-N 3.49Å; R1773-Q1777 WeakPolarHBondContact O-CG 3.47Å; R1773-Q1777 PolarHBondContact O-N 2.94Å |
| 1774 | K | 81.6 | Confident | 76.6 | Confident | 58 Ų | 58 | 28 Ų | 28 | 25% | 0.252 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 178.1 | -69.2 | -162.6 | 169.9 | -162.1 | 0 | 112.6 | S1770 L1771 N1772 Q1777 Y1778 L1845 M1849 | S1770-K1774 PolarHBondContact O-N 3.14Å; L1771-K1774 PolarHBondContact O-N 2.96Å; L1771-K1774 VanDerWaalsContact O-N 3.09Å; N1772-K1774 PolarHBondContact O-N 3.33Å; K1774-Q1777 PolarHBondContact O-N 3.35Å; K1774-Y1778 WeakPolarHBondContact O-CB 3.45Å; K1774-Y1778 PolarHBondContact O-N 2.72Å; K1774-L1845 PolarHBondContact NZ-O 3.07Å; K1774-M1849 HydrophobicContact CB-CG 3.73Å; K1774-M1849 HydrophobicContact CB-SD 4.12Å |
| 1775 | L | 83.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 176.6 | -179 | 54.9 | 0 | 0 | 0 | 111.8 | L1395 F1484 L1771 N1772 R1779 L1809 V1813 M1849 | L1395-L1775 HydrophobicContact CD1-CD1 4.43Å; L1395-L1775 HydrophobicContact CD1-CD2 4.22Å; L1395-L1775 HydrophobicContact CD1-CG 4.14Å; F1484-L1775 HydrophobicContact CZ-CD2 4.42Å; L1771-L1775 WeakPolarHBondContact O-CB 3.35Å; L1771-L1775 PolarHBondContact O-N 3.34Å; N1772-L1775 PolarHBondContact O-N 3.25Å; L1775-R1779 PolarHBondContact O-N 3.4Å; L1775-R1779 VanDerWaalsContact O-N 3.07Å; L1775-L1809 HydrophobicContact CD1-CB 3.68Å; L1775-L1809 HydrophobicContact CD1-CD1 3.94Å; L1775-L1809 HydrophobicContact CD1-CG 4.34Å; L1775-V1813 HydrophobicContact CD2-CG2 4.25Å; L1775-M1849 HydrophobicContact CB-SD 4.2Å |
| 1776 | I | 78.7 | Confident | 73.2 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -49.8 | 172.5 | -64.3 | 159.2 | 0 | 0 | 0 | 110.6 | L1395 L1398 Y1481 F1484 L1485 N1772 R1773 Y1778 R1779 L1780 | L1395-I1776 HydrophobicContact CD2-CG1 4.42Å; L1398-I1776 HydrophobicContact CD2-CD1 4.33Å; L1398-I1776 HydrophobicContact CD2-CG1 4.27Å; L1398-I1776 HydrophobicContact CD2-CG2 4.03Å; Y1481-I1776 HydrophobicContact CD2-CD1 3.91Å; Y1481-I1776 HydrophobicContact CD2-CG2 4.01Å; Y1481-I1776 HydrophobicContact CE2-CB 4.39Å; Y1481-I1776 HydrophobicContact CE2-CD1 3.78Å; Y1481-I1776 HydrophobicContact CE2-CG2 3.79Å; F1484-I1776 HydrophobicContact CB-CD1 4.23Å; F1484-I1776 HydrophobicContact CD1-CD1 3.4Å; F1484-I1776 VanDerWaalsContact CD1-CD1 3.4Å; F1484-I1776 HydrophobicContact CD1-CG1 3.49Å; F1484-I1776 VanDerWaalsContact CD1-CG1 3.49Å; F1484-I1776 HydrophobicContact CE1-CD1 4.15Å; F1484-I1776 HydrophobicContact CE1-CG1 3.8Å; F1484-I1776 HydrophobicContact CG-CD1 4.09Å; F1484-I1776 HydrophobicContact CG-CG1 4.21Å; L1485-I1776 HydrophobicContact CD2-CD1 3.86Å; L1485-I1776 HydrophobicContact CG-CD1 4.2Å; N1772-I1776 WeakPolarHBondContact O-CG1 3.45Å; N1772-I1776 PolarHBondContact O-N 2.81Å; R1773-I1776 PolarHBondContact O-N 3.49Å; I1776-Y1778 PolarHBondContact O-N 2.97Å; I1776-R1779 PolarHBondContact O-N 3.23Å; I1776-L1780 HydrophobicContact CG2-CD1 3.49Å; I1776-L1780 VanDerWaalsContact CG2-CD1 3.49Å; I1776-L1780 HydrophobicContact CG2-CG 3.98Å; I1776-L1780 WeakPolarHBondContact O-CB 3.45Å; I1776-L1780 VanDerWaalsContact O-CG 3.31Å; I1776-L1780 WeakPolarHBondContact O-CG 3.44Å; I1776-L1780 PolarHBondContact O-N 2.92Å |
| 1777 | Q | 77.7 | Confident | 71.4 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 15% | 0.145 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.9 | -50.1 | -179.6 | -74.9 | 169.6 | -34.1 | 0 | 0 | 111.5 | R1773 K1774 R1779 L1780 F1781 | R1773-Q1777 WeakPolarHBondContact O-CG 3.47Å; R1773-Q1777 PolarHBondContact O-N 2.94Å; K1774-Q1777 PolarHBondContact O-N 3.35Å; Q1777-R1779 PolarHBondContact O-N 2.99Å; Q1777-L1780 PolarHBondContact O-N 3.14Å; Q1777-F1781 WeakPolarHBondContact O-CD2 3.44Å; Q1777-F1781 PolarHBondContact O-N 2.94Å |
| 1778 | Y | 75 | Confident | 69.5 | Low | 32 Ų | 32 | 37.8 Ų | 37.8 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.5 | -50.1 | 177 | 173.9 | -99 | 0 | 0 | 0 | 111.9 | K1774 I1776 L1780 F1781 N1782 L1809 M1849 H1850 | K1774-Y1778 WeakPolarHBondContact O-CB 3.45Å; K1774-Y1778 PolarHBondContact O-N 2.72Å; I1776-Y1778 PolarHBondContact O-N 2.97Å; Y1778-L1780 PolarHBondContact O-N 2.86Å; Y1778-F1781 PolarHBondContact O-N 3.01Å; Y1778-N1782 WeakPolarHBondContact O-CB 3.45Å; Y1778-N1782 PolarHBondContact O-N 3Å; Y1778-L1809 HydrophobicContact CD1-CD1 4.26Å; Y1778-L1809 HydrophobicContact CE1-CD1 4.02Å; Y1778-M1849 HydrophobicContact CD1-CB 4.36Å; Y1778-M1849 WeakPolarHBondContact CD1-O 3.35Å; Y1778-M1849 HydrophobicContact CD2-CB 4.33Å; Y1778-M1849 WeakPolarHBondContact CE1-O 3.35Å; Y1778-M1849 HydrophobicContact CG-CB 3.88Å; Y1778-H1850 HydrophobicContact CE2-CB 4.22Å; Y1778-H1850 PolarHBondContact OH-CD2 2.91Å; Y1778-H1850 VanDerWaalsContact OH-CD2 3.3Å |
| 1779 | R | 69.4 | Low | 67.1 | Low | 9 Ų | 9 | 37.4 Ų | 37.4 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -50 | 178.1 | -174.1 | -168.4 | 177.6 | 93.5 | 9.2 | 112 | L1395 Y1396 S1399 L1775 I1776 Q1777 F1781 N1782 E1783 D1806 | L1395-R1779 PolarHBondContact O-NE 3.24Å; L1395-R1779 VanDerWaalsContact O-NE 3.13Å; Y1396-R1779 VanDerWaalsContact CE2-NH2 3.28Å; S1399-R1779 PolarHBondContact OG-NE 3.41Å; S1399-R1779 VanDerWaalsContact OG-NE 3.08Å; S1399-R1779 PolarHBondContact OG-NH2 3.1Å; L1775-R1779 PolarHBondContact O-N 3.4Å; L1775-R1779 VanDerWaalsContact O-N 3.07Å; I1776-R1779 PolarHBondContact O-N 3.23Å; Q1777-R1779 PolarHBondContact O-N 2.99Å; R1779-F1781 PolarHBondContact O-N 3.34Å; R1779-N1782 PolarHBondContact O-N 3.38Å; R1779-E1783 HydrophobicContact CG-CG 4.34Å; R1779-E1783 IonicContact CZ-OE1 2.86Å; R1779-E1783 VanDerWaalsContact CZ-OE1 3.27Å; R1779-E1783 IonicContact NE-OE1 3.93Å; R1779-E1783 PolarHBondContact NE-OE1 3.28Å; R1779-E1783 VanDerWaalsContact NE-OE1 3.13Å; R1779-E1783 IonicContact NE-OE2 2.87Å; R1779-E1783 IonicContact NH2-OE1 2.56Å; R1779-E1783 PolarHBondContact NH2-OE1 3.18Å; R1779-E1783 PolarHBondContact O-N 3.24Å; R1779-D1806 IonicContact CZ-OD1 2.81Å; R1779-D1806 IonicContact CZ-OD2 3.8Å; R1779-D1806 IonicContact NH1-OD1 2.71Å; R1779-D1806 PolarHBondContact NH1-OD1 3.37Å; R1779-D1806 IonicContact NH1-OD2 2.68Å; R1779-D1806 PolarHBondContact NH1-OD2 3.07Å; R1779-D1806 IonicContact NH2-OD2 2.76Å |
| 1780 | L | 68.7 | Low | 64.9 | Low | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -18.5 | -176.9 | -67.1 | 178.5 | 0 | 0 | 0 | 113.9 | K1455 I1456 I1776 Q1777 Y1778 | K1455-L1780 HydrophobicContact CD-CB 4.01Å; K1455-L1780 HydrophobicContact CG-CB 4.42Å; K1455-L1780 HydrophobicContact CG-CD1 4.25Å; K1455-L1780 PolarHBondContact NZ-O 3.37Å; I1456-L1780 WeakPolarHBondContact O-CD1 3.33Å; I1776-L1780 HydrophobicContact CG2-CD1 3.49Å; I1776-L1780 VanDerWaalsContact CG2-CD1 3.49Å; I1776-L1780 HydrophobicContact CG2-CG 3.98Å; I1776-L1780 WeakPolarHBondContact O-CB 3.45Å; I1776-L1780 VanDerWaalsContact O-CG 3.31Å; I1776-L1780 WeakPolarHBondContact O-CG 3.44Å; I1776-L1780 PolarHBondContact O-N 2.92Å; Q1777-L1780 PolarHBondContact O-N 3.14Å; Y1778-L1780 PolarHBondContact O-N 2.86Å |
| 1781 | F | 65.9 | Low | 62.7 | Low | 73 Ų | 73 | 45.9 Ų | 45.9 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -85.2 | -38.4 | 166.3 | -77.1 | -63.7 | 0 | 0 | 0 | 112.1 | Q1777 Y1778 R1779 F1784 Y1785 | Q1777-F1781 WeakPolarHBondContact O-CD2 3.44Å; Q1777-F1781 PolarHBondContact O-N 2.94Å; Y1778-F1781 PolarHBondContact O-N 3.01Å; R1779-F1781 PolarHBondContact O-N 3.34Å; F1781-F1784 WeakPolarHBondContact O-CB 3.28Å; F1781-F1784 PolarHBondContact O-N 3.07Å; F1781-Y1785 WeakPolarHBondContact O-CD2 3.44Å |
| 1782 | N | 60.1 | Low | 60.2 | Low | 60 Ų | 60 | 53.7 Ų | 53.7 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | -177.6 | -148.2 | 25.5 | 0 | 0 | 0 | 112.4 | Y1778 R1779 F1784 Y1785 S1786 | Y1778-N1782 WeakPolarHBondContact O-CB 3.45Å; Y1778-N1782 PolarHBondContact O-N 3Å; R1779-N1782 PolarHBondContact O-N 3.38Å; N1782-F1784 PolarHBondContact O-N 3.29Å; N1782-Y1785 PolarHBondContact O-N 3.01Å; N1782-S1786 PolarHBondContact O-N 3.01Å |
| 1783 | E | 56.8 | Low | 58.1 | Low | 36 Ų | 36 | 61 Ų | 61 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -24.6 | 177.4 | -72.4 | 177.7 | 141.4 | 0 | 0 | 113.8 | S1399 R1779 Y1785 S1786 S1787 | S1399-E1783 WeakPolarHBondContact CB-OE1 3.39Å; S1399-E1783 WeakPolarHBondContact CB-OE2 3.41Å; S1399-E1783 VanDerWaalsContact OG-CD 3.28Å; S1399-E1783 PolarHBondContact OG-OE1 2.9Å; S1399-E1783 PolarHBondContact OG-OE2 3.42Å; R1779-E1783 HydrophobicContact CG-CG 4.34Å; R1779-E1783 IonicContact CZ-OE1 2.86Å; R1779-E1783 VanDerWaalsContact CZ-OE1 3.27Å; R1779-E1783 IonicContact NE-OE1 3.93Å; R1779-E1783 PolarHBondContact NE-OE1 3.28Å; R1779-E1783 VanDerWaalsContact NE-OE1 3.13Å; R1779-E1783 IonicContact NE-OE2 2.87Å; R1779-E1783 IonicContact NH2-OE1 2.56Å; R1779-E1783 PolarHBondContact NH2-OE1 3.18Å; R1779-E1783 PolarHBondContact O-N 3.24Å; E1783-Y1785 VanDerWaalsContact C-N 3.35Å; E1783-S1786 PolarHBondContact O-N 3.42Å; E1783-S1787 WeakPolarHBondContact O-CB 3.47Å; E1783-S1787 PolarHBondContact O-N 3.22Å; E1783-S1787 PolarHBondContact O-OG 3.01Å |
| 1784 | F | 51.3 | Low | 56.2 | Low | 57 Ų | 57 | 65 Ų | 65 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 175 | 172.6 | -103.7 | 0 | 0 | 0 | 111.4 | F1781 N1782 S1787 H1788 | F1781-F1784 WeakPolarHBondContact O-CB 3.28Å; F1781-F1784 PolarHBondContact O-N 3.07Å; N1782-F1784 PolarHBondContact O-N 3.29Å; F1784-S1787 PolarHBondContact O-N 3.31Å; F1784-H1788 AromaticContact CD2-CD2 3.42Å; F1784-H1788 VanDerWaalsContact CD2-CD2 3.42Å; F1784-H1788 WeakPolarHBondContact CD2-CD2 3.39Å; F1784-H1788 AromaticContact CD2-NE2 3.71Å; F1784-H1788 AromaticContact CE2-CD2 3.19Å; F1784-H1788 WeakPolarHBondContact CE2-CD2 3.4Å; F1784-H1788 AromaticContact CE2-NE2 3.23Å; F1784-H1788 WeakPolarHBondContact CE2-NE2 3.03Å; F1784-H1788 AromaticContact CZ-CD2 3.82Å; F1784-H1788 PolarHBondContact O-CD2 2.94Å; F1784-H1788 PolarHBondContact O-N 3.18Å |
| 1785 | Y | 44.3 | Very low | 54.6 | Low | 102 Ų | 102 | 66.6 Ų | 66.6 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.9 | -34.1 | 175.5 | -64.9 | -72.7 | 0 | 0 | 0 | 112.7 | F1781 N1782 E1783 | F1781-Y1785 WeakPolarHBondContact O-CD2 3.44Å; N1782-Y1785 PolarHBondContact O-N 3.01Å; E1783-Y1785 VanDerWaalsContact C-N 3.35Å |
| 1786 | S | 46.8 | Very low | 52.7 | Low | 49 Ų | 49 | 71.4 Ų | 71.4 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 172.8 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | N1782 E1783 H1788 | N1782-S1786 PolarHBondContact O-N 3.01Å; E1783-S1786 PolarHBondContact O-N 3.42Å; S1786-H1788 VanDerWaalsContact C-N 3.35Å; S1786-H1788 PolarHBondContact O-N 3.46Å |
| 1787 | S | 46.2 | Very low | 50.8 | Low | 70 Ų | 70 | 75 Ų | 75 | 49% | 0.49 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -77.2 | -15.5 | -173.6 | -53.4 | 0 | 0 | 0 | 0 | 114.5 | E1783 F1784 | E1783-S1787 WeakPolarHBondContact O-CB 3.47Å; E1783-S1787 PolarHBondContact O-N 3.22Å; E1783-S1787 PolarHBondContact O-OG 3.01Å; F1784-S1787 PolarHBondContact O-N 3.31Å |
| 1788 | H | 44.3 | Very low | 49.3 | Very low | 116 Ų | 116 | 75.7 Ų | 75.7 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 28.4 | -178.2 | -83.8 | -72.4 | 0 | 0 | 0 | 114.5 | F1784 S1786 F1790 | F1784-H1788 AromaticContact CD2-CD2 3.42Å; F1784-H1788 VanDerWaalsContact CD2-CD2 3.42Å; F1784-H1788 WeakPolarHBondContact CD2-CD2 3.39Å; F1784-H1788 AromaticContact CD2-NE2 3.71Å; F1784-H1788 AromaticContact CE2-CD2 3.19Å; F1784-H1788 WeakPolarHBondContact CE2-CD2 3.4Å; F1784-H1788 AromaticContact CE2-NE2 3.23Å; F1784-H1788 WeakPolarHBondContact CE2-NE2 3.03Å; F1784-H1788 AromaticContact CZ-CD2 3.82Å; F1784-H1788 PolarHBondContact O-CD2 2.94Å; F1784-H1788 PolarHBondContact O-N 3.18Å; S1786-H1788 VanDerWaalsContact C-N 3.35Å; S1786-H1788 PolarHBondContact O-N 3.46Å; H1788-F1790 HydrophobicContact CB-CD2 4.45Å; H1788-F1790 WeakPolarHBondContact O-CD2 3Å; H1788-F1790 PolarHBondContact O-N 3.37Å |
| 1789 | G | 35 | Very low | 48.1 | Very low | 38 Ų | 38 | 79.5 Ų | 79.5 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 14.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | N1791 E1792 | G1789-N1791 PolarHBondContact O-N 3.24Å; G1789-E1792 WeakPolarHBondContact O-CG 3.48Å |
| 1790 | F | 39.7 | Very low | 47 | Very low | 126 Ų | 126 | 86.5 Ų | 86.5 | 55% | 0.553 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 0.4 | 179.6 | -78.9 | -79.8 | 0 | 0 | 0 | 114.7 | P874 H1788 | P874-F1790 HydrophobicContact CB-CE1 4.3Å; P874-F1790 HydrophobicContact CB-CE2 4.33Å; P874-F1790 HydrophobicContact CB-CZ 3.58Å; P874-F1790 HydrophobicContact CG-CE2 4.14Å; P874-F1790 HydrophobicContact CG-CZ 3.68Å; H1788-F1790 HydrophobicContact CB-CD2 4.45Å; H1788-F1790 WeakPolarHBondContact O-CD2 3Å; H1788-F1790 PolarHBondContact O-N 3.37Å |
| 1791 | N | 34.8 | Very low | 46 | Very low | 73 Ų | 73 | 89.8 Ų | 89.8 | 39% | 0.39 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.5 | 59.6 | 176.3 | -81.8 | -89.3 | 0 | 0 | 0 | 112.2 | G1789 D1793 K1794 | G1789-N1791 PolarHBondContact O-N 3.24Å; N1791-D1793 PolarHBondContact O-N 3.32Å; N1791-K1794 HydrophobicContact CB-CB 4.46Å; N1791-K1794 PolarHBondContact O-N 2.89Å; N1791-K1794 VanDerWaalsContact O-N 3.1Å; N1791-K1794 PolarHBondContact OD1-NZ 2.98Å |
| 1792 | E | 35 | Very low | 45.6 | Very low | 165 Ų | 165 | 87.8 Ų | 87.8 | 77% | 0.771 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -16.4 | -174 | -58.3 | -173.4 | 136.5 | 0 | 0 | 115.6 | G1789 | G1789-E1792 WeakPolarHBondContact O-CG 3.48Š|
| 1793 | D | 42.4 | Very low | 45.6 | Very low | 167 Ų | 167 | 87.8 Ų | 87.8 | 89% | 0.893 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.7 | 178.9 | -74.8 | -45.8 | 0 | 0 | 0 | 115.8 | N1791 | N1791-D1793 PolarHBondContact O-N 3.32Š|
| 1794 | K | 42.9 | Very low | 45.7 | Very low | 98 Ų | 98 | 89.9 Ų | 89.9 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | trans | -127.9 | 2 | -166.5 | -64.7 | -174.2 | -165.8 | 125.3 | 0 | 117.5 | N1791 S1796 L1797 N1798 | N1791-K1794 HydrophobicContact CB-CB 4.46Å; N1791-K1794 PolarHBondContact O-N 2.89Å; N1791-K1794 VanDerWaalsContact O-N 3.1Å; N1791-K1794 PolarHBondContact OD1-NZ 2.98Å; K1794-S1796 VanDerWaalsContact C-N 3.34Å; K1794-S1796 PolarHBondContact O-N 2.94Å; K1794-S1796 VanDerWaalsContact O-N 3.15Å; K1794-L1797 PolarHBondContact O-N 3.22Å; K1794-N1798 WeakPolarHBondContact CB-ND2 3.23Å; K1794-N1798 WeakPolarHBondContact O-CB 3.13Å; K1794-N1798 PolarHBondContact O-N 3.18Å | ||
| 1795 | D | 47.5 | Very low | 46.5 | Very low | 93 Ų | 93 | 89.3 Ų | 89.3 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.7 | -37.3 | -163.8 | -69.5 | -26.6 | 0 | 0 | 0 | 115.1 | K1799 | D1795-K1799 WeakPolarHBondContact O-CB 3.48Å; D1795-K1799 PolarHBondContact O-N 3.18Å |
| 1796 | S | 45.3 | Very low | 47.6 | Very low | 100 Ų | 100 | 85.4 Ų | 85.4 | 70% | 0.699 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 176.5 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | K1794 Y1800 | K1794-S1796 VanDerWaalsContact C-N 3.34Å; K1794-S1796 PolarHBondContact O-N 2.94Å; K1794-S1796 VanDerWaalsContact O-N 3.15Å; S1796-Y1800 PolarHBondContact O-N 2.87Å |
| 1797 | L | 38.2 | Very low | 48.8 | Very low | 77 Ų | 77 | 90 Ų | 90 | 40% | 0.403 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.9 | -43.5 | 179.9 | -173.5 | 64.9 | 0 | 0 | 0 | 111.4 | K1794 K1799 Y1800 V1801 | K1794-L1797 PolarHBondContact O-N 3.22Å; L1797-K1799 PolarHBondContact O-N 3.47Å; L1797-Y1800 PolarHBondContact O-N 2.86Å; L1797-V1801 HydrophobicContact CG-CG2 4.39Å; L1797-V1801 WeakPolarHBondContact O-CG2 3.36Å; L1797-V1801 PolarHBondContact O-N 3.46Å |
| 1798 | N | 45.7 | Very low | 50.3 | Low | 46 Ų | 46 | 88.4 Ų | 88.4 | 25% | 0.246 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 174.7 | -77.3 | -9.1 | 0 | 0 | 0 | 111.2 | K1794 Y1800 V1801 T1802 | K1794-N1798 WeakPolarHBondContact CB-ND2 3.23Å; K1794-N1798 WeakPolarHBondContact O-CB 3.13Å; K1794-N1798 PolarHBondContact O-N 3.18Å; N1798-Y1800 PolarHBondContact O-N 2.96Å; N1798-V1801 PolarHBondContact O-N 2.76Å; N1798-T1802 WeakPolarHBondContact O-CB 3.46Å; N1798-T1802 WeakPolarHBondContact O-CG2 3.44Å; N1798-T1802 PolarHBondContact O-N 3.26Å; N1798-T1802 PolarHBondContact O-OG1 2.87Å |
| 1799 | K | 50.8 | Low | 52.1 | Low | 112 Ų | 112 | 83 Ų | 83 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 178.5 | -168.5 | 170.6 | -173.7 | 171.4 | 0 | 113.4 | Y1396 D1795 L1797 T1802 Q1803 | Y1396-K1799 WeakPolarHBondContact OH-CE 3.46Å; Y1396-K1799 WeakPolarHBondContact OH-CG 3.44Å; D1795-K1799 WeakPolarHBondContact O-CB 3.48Å; D1795-K1799 PolarHBondContact O-N 3.18Å; L1797-K1799 PolarHBondContact O-N 3.47Å; K1799-T1802 WeakPolarHBondContact CA-OG1 3.5Å; K1799-T1802 PolarHBondContact O-OG1 3.37Å; K1799-Q1803 WeakPolarHBondContact O-CG 3.17Å; K1799-Q1803 PolarHBondContact O-N 2.8Å |
| 1800 | Y | 45.2 | Very low | 54.2 | Low | 155 Ų | 155 | 83.8 Ų | 83.8 | 61% | 0.608 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -76.2 | -41 | 170.7 | -94.1 | -89.4 | 0 | 0 | 0 | 112.8 | S1796 L1797 N1798 T1802 Q1803 V1804 | S1796-Y1800 PolarHBondContact O-N 2.87Å; L1797-Y1800 PolarHBondContact O-N 2.86Å; N1798-Y1800 PolarHBondContact O-N 2.96Å; Y1800-T1802 PolarHBondContact O-N 3.49Å; Y1800-Q1803 PolarHBondContact O-N 2.87Å; Y1800-V1804 PolarHBondContact O-N 2.88Å; Y1800-V1804 VanDerWaalsContact O-N 3.15Å |
| 1801 | V | 48.1 | Very low | 56.3 | Low | 72 Ų | 72 | 82.8 Ų | 82.8 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.4 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | L1797 N1798 Q1803 V1804 E1805 | L1797-V1801 HydrophobicContact CG-CG2 4.39Å; L1797-V1801 WeakPolarHBondContact O-CG2 3.36Å; L1797-V1801 PolarHBondContact O-N 3.46Å; N1798-V1801 PolarHBondContact O-N 2.76Å; V1801-Q1803 PolarHBondContact O-N 3.15Å; V1801-V1804 PolarHBondContact O-N 2.63Å; V1801-V1804 VanDerWaalsContact O-N 3.16Å; V1801-E1805 PolarHBondContact O-N 3.1Å |
| 1802 | T | 57.2 | Low | 58.7 | Low | 31 Ų | 31 | 79.5 Ų | 79.5 | 19% | 0.19 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 174.1 | 45.1 | 0 | 0 | 0 | 0 | 111.9 | N1798 K1799 Y1800 V1804 E1805 D1806 | N1798-T1802 WeakPolarHBondContact O-CB 3.46Å; N1798-T1802 WeakPolarHBondContact O-CG2 3.44Å; N1798-T1802 PolarHBondContact O-N 3.26Å; N1798-T1802 PolarHBondContact O-OG1 2.87Å; K1799-T1802 WeakPolarHBondContact CA-OG1 3.5Å; K1799-T1802 PolarHBondContact O-OG1 3.37Å; Y1800-T1802 PolarHBondContact O-N 3.49Å; T1802-V1804 PolarHBondContact O-N 3.3Å; T1802-E1805 PolarHBondContact O-N 2.85Å; T1802-E1805 VanDerWaalsContact O-N 3.14Å; T1802-D1806 VanDerWaalsContact C-OD2 3.32Å; T1802-D1806 WeakPolarHBondContact O-CB 3.47Å; T1802-D1806 PolarHBondContact O-N 3.02Å |
| 1803 | Q | 60.7 | Low | 61.2 | Low | 61 Ų | 61 | 71.8 Ų | 71.8 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -30.4 | 177 | -75 | -177.1 | 21.8 | 0 | 0 | 114.5 | Y1396 K1799 Y1800 V1801 D1806 K1807 | Y1396-Q1803 HydrophobicContact CD2-CG 4.22Å; Y1396-Q1803 HydrophobicContact CE2-CG 3.39Å; Y1396-Q1803 VanDerWaalsContact CZ-NE2 3.26Å; Y1396-Q1803 PolarHBondContact OH-NE2 3.29Å; K1799-Q1803 WeakPolarHBondContact O-CG 3.17Å; K1799-Q1803 PolarHBondContact O-N 2.8Å; Y1800-Q1803 PolarHBondContact O-N 2.87Å; V1801-Q1803 PolarHBondContact O-N 3.15Å; Q1803-D1806 WeakPolarHBondContact CA-OD2 3.4Å; Q1803-K1807 WeakPolarHBondContact O-CG 3.45Å; Q1803-K1807 PolarHBondContact O-N 2.84Å |
| 1804 | V | 59.3 | Low | 63.2 | Low | 79 Ų | 79 | 66.2 Ų | 66.2 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.5 | -43.7 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | Y1800 V1801 T1802 D1806 K1807 N1808 | Y1800-V1804 PolarHBondContact O-N 2.88Å; Y1800-V1804 VanDerWaalsContact O-N 3.15Å; V1801-V1804 PolarHBondContact O-N 2.63Å; V1801-V1804 VanDerWaalsContact O-N 3.16Å; T1802-V1804 PolarHBondContact O-N 3.3Å; V1804-D1806 VanDerWaalsContact C-N 3.33Å; V1804-D1806 PolarHBondContact O-N 2.95Å; V1804-K1807 PolarHBondContact O-N 3.48Å; V1804-N1808 PolarHBondContact O-N 2.8Å; V1804-N1808 VanDerWaalsContact O-N 3.11Å; V1804-N1808 PolarHBondContact O-ND2 3.19Å; V1804-N1808 PolarHBondContact O-OD1 3.06Å |
| 1805 | E | 67.2 | Low | 65.4 | Low | 46 Ų | 46 | 62 Ų | 62 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 173.7 | -67.6 | -154.8 | 120.2 | 0 | 0 | 112.4 | V1801 T1802 K1807 N1808 L1809 | V1801-E1805 PolarHBondContact O-N 3.1Å; T1802-E1805 PolarHBondContact O-N 2.85Å; T1802-E1805 VanDerWaalsContact O-N 3.14Å; E1805-K1807 PolarHBondContact O-N 3.41Å; E1805-N1808 PolarHBondContact O-N 2.61Å; E1805-L1809 VanDerWaalsContact O-CB 3.32Å; E1805-L1809 WeakPolarHBondContact O-CB 3.49Å; E1805-L1809 VanDerWaalsContact O-CG 3.26Å; E1805-L1809 WeakPolarHBondContact O-CG 3.24Å; E1805-L1809 PolarHBondContact O-N 3.39Å |
| 1806 | D | 67.9 | Low | 67.4 | Low | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.7 | -49 | 174.5 | -72.9 | -49 | 0 | 0 | 0 | 111.6 | L1395 R1779 T1802 Q1803 V1804 L1809 N1810 | L1395-D1806 HydrophobicContact CD1-CB 4.25Å; R1779-D1806 IonicContact CZ-OD1 2.81Å; R1779-D1806 IonicContact CZ-OD2 3.8Å; R1779-D1806 IonicContact NH1-OD1 2.71Å; R1779-D1806 PolarHBondContact NH1-OD1 3.37Å; R1779-D1806 IonicContact NH1-OD2 2.68Å; R1779-D1806 PolarHBondContact NH1-OD2 3.07Å; R1779-D1806 IonicContact NH2-OD2 2.76Å; T1802-D1806 VanDerWaalsContact C-OD2 3.32Å; T1802-D1806 WeakPolarHBondContact O-CB 3.47Å; T1802-D1806 PolarHBondContact O-N 3.02Å; Q1803-D1806 WeakPolarHBondContact CA-OD2 3.4Å; V1804-D1806 VanDerWaalsContact C-N 3.33Å; V1804-D1806 PolarHBondContact O-N 2.95Å; D1806-L1809 PolarHBondContact O-N 3.17Å; D1806-N1810 PolarHBondContact O-N 2.82Å; D1806-N1810 PolarHBondContact O-ND2 3.1Å |
| 1807 | K | 72.6 | Confident | 69.3 | Low | 147 Ų | 147 | 53 Ų | 53 | 64% | 0.639 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 178.7 | -73.5 | 172.4 | -178.6 | 174.6 | 0 | 110.8 | Q1803 V1804 E1805 L1809 N1810 Q1811 | Q1803-K1807 WeakPolarHBondContact O-CG 3.45Å; Q1803-K1807 PolarHBondContact O-N 2.84Å; V1804-K1807 PolarHBondContact O-N 3.48Å; E1805-K1807 PolarHBondContact O-N 3.41Å; K1807-L1809 VanDerWaalsContact C-N 3.34Å; K1807-L1809 PolarHBondContact O-N 2.93Å; K1807-N1810 PolarHBondContact O-N 2.66Å; K1807-Q1811 WeakPolarHBondContact O-CB 3.4Å; K1807-Q1811 PolarHBondContact O-N 2.85Å |
| 1808 | N | 76.7 | Confident | 71.6 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 19% | 0.193 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.1 | -61.8 | -18.5 | 0 | 0 | 0 | 112.1 | V1804 E1805 L1812 | V1804-N1808 PolarHBondContact O-N 2.8Å; V1804-N1808 VanDerWaalsContact O-N 3.11Å; V1804-N1808 PolarHBondContact O-ND2 3.19Å; V1804-N1808 PolarHBondContact O-OD1 3.06Å; E1805-N1808 PolarHBondContact O-N 2.61Å; N1808-L1812 VanDerWaalsContact O-CB 3.28Å; N1808-L1812 WeakPolarHBondContact O-CB 3.5Å; N1808-L1812 PolarHBondContact O-N 3.02Å |
| 1809 | L | 81.2 | Confident | 73.6 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72 | -40.1 | 179.2 | -75.8 | 171.6 | 0 | 0 | 0 | 112.6 | L1775 Y1778 E1805 D1806 K1807 L1812 V1813 M1849 | L1775-L1809 HydrophobicContact CD1-CB 3.68Å; L1775-L1809 HydrophobicContact CD1-CD1 3.94Å; L1775-L1809 HydrophobicContact CD1-CG 4.34Å; Y1778-L1809 HydrophobicContact CD1-CD1 4.26Å; Y1778-L1809 HydrophobicContact CE1-CD1 4.02Å; E1805-L1809 VanDerWaalsContact O-CB 3.32Å; E1805-L1809 WeakPolarHBondContact O-CB 3.49Å; E1805-L1809 VanDerWaalsContact O-CG 3.26Å; E1805-L1809 WeakPolarHBondContact O-CG 3.24Å; E1805-L1809 PolarHBondContact O-N 3.39Å; D1806-L1809 PolarHBondContact O-N 3.17Å; K1807-L1809 VanDerWaalsContact C-N 3.34Å; K1807-L1809 PolarHBondContact O-N 2.93Å; L1809-L1812 HydrophobicContact CD2-CD2 4.18Å; L1809-L1812 WeakPolarHBondContact O-CB 3.22Å; L1809-L1812 PolarHBondContact O-N 2.97Å; L1809-V1813 WeakPolarHBondContact O-CG2 3.42Å; L1809-V1813 PolarHBondContact O-N 3.49Å; L1809-M1849 WeakPolarHBondContact CD1-O 3.27Å |
| 1810 | N | 80.8 | Confident | 75.3 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 171.9 | -79 | -82 | 0 | 0 | 0 | 110.8 | L1395 D1806 K1807 L1812 V1813 S1814 | L1395-N1810 VanDerWaalsContact CD1-ND2 3.27Å; L1395-N1810 WeakPolarHBondContact CD1-ND2 3.17Å; D1806-N1810 PolarHBondContact O-N 2.82Å; D1806-N1810 PolarHBondContact O-ND2 3.1Å; K1807-N1810 PolarHBondContact O-N 2.66Å; N1810-L1812 VanDerWaalsContact C-N 3.32Å; N1810-L1812 PolarHBondContact O-N 2.75Å; N1810-V1813 PolarHBondContact O-N 2.91Å; N1810-S1814 PolarHBondContact O-N 3.49Å; N1810-S1814 VanDerWaalsContact O-N 3.14Å |
| 1811 | Q | 82.6 | Confident | 77.1 | Confident | 106 Ų | 106 | 40 Ų | 40 | 50% | 0.495 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.1 | -40 | 175.9 | -176.6 | 172.6 | -10.9 | 0 | 0 | 111.9 | K1807 W1815 P1908 | K1807-Q1811 WeakPolarHBondContact O-CB 3.4Å; K1807-Q1811 PolarHBondContact O-N 2.85Å; Q1811-W1815 VanDerWaalsContact O-CB 3.24Å; Q1811-W1815 WeakPolarHBondContact O-CB 3.28Å; Q1811-W1815 PolarHBondContact O-N 2.77Å; Q1811-P1908 HydrophobicContact CG-CB 4.39Å |
| 1812 | L | 86.2 | Confident | 78.5 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 174.5 | 175.5 | 68 | 0 | 0 | 0 | 112.6 | N1808 L1809 N1810 W1815 L1816 S1854 P1908 W1909 | N1808-L1812 VanDerWaalsContact O-CB 3.28Å; N1808-L1812 WeakPolarHBondContact O-CB 3.5Å; N1808-L1812 PolarHBondContact O-N 3.02Å; L1809-L1812 HydrophobicContact CD2-CD2 4.18Å; L1809-L1812 WeakPolarHBondContact O-CB 3.22Å; L1809-L1812 PolarHBondContact O-N 2.97Å; N1810-L1812 VanDerWaalsContact C-N 3.32Å; N1810-L1812 PolarHBondContact O-N 2.75Å; L1812-W1815 PolarHBondContact O-N 2.9Å; L1812-L1816 HydrophobicContact CD1-CD1 3.92Å; L1812-L1816 HydrophobicContact CD1-CG 3.93Å; L1812-L1816 HydrophobicContact CG-CD1 3.89Å; L1812-L1816 HydrophobicContact CG-CG 4.3Å; L1812-L1816 WeakPolarHBondContact O-CB 3.31Å; L1812-L1816 VanDerWaalsContact O-CG 3.32Å; L1812-L1816 WeakPolarHBondContact O-CG 3.27Å; L1812-L1816 PolarHBondContact O-N 3.2Å; L1812-S1854 VanDerWaalsContact CD2-OG 3.3Å; L1812-S1854 WeakPolarHBondContact CD2-OG 3.49Å; L1812-P1908 HydrophobicContact CD1-CB 4.49Å; L1812-P1908 HydrophobicContact CD1-CG 3.9Å; L1812-W1909 HydrophobicContact CD1-CH2 3.89Å; L1812-W1909 HydrophobicContact CD1-CZ2 3.39Å |
| 1813 | V | 86.2 | Confident | 79.6 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 178.9 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | L1771 N1772 L1775 L1809 N1810 T1817 M1849 | L1771-V1813 HydrophobicContact CB-CB 4.42Å; L1771-V1813 HydrophobicContact CB-CG1 3.55Å; L1771-V1813 HydrophobicContact CB-CG2 4.05Å; L1771-V1813 HydrophobicContact CD1-CG1 4.12Å; N1772-V1813 WeakPolarHBondContact OD1-CG1 3.26Å; L1775-V1813 HydrophobicContact CD2-CG2 4.25Å; L1809-V1813 WeakPolarHBondContact O-CG2 3.42Å; L1809-V1813 PolarHBondContact O-N 3.49Å; N1810-V1813 PolarHBondContact O-N 2.91Å; V1813-T1817 WeakPolarHBondContact O-CB 3.42Å; V1813-T1817 PolarHBondContact O-N 2.77Å; V1813-T1817 PolarHBondContact O-OG1 3.4Å; V1813-M1849 HydrophobicContact CG2-SD 4.29Å |
| 1814 | S | 85.3 | Confident | 80.3 | Confident | 50 Ų | 50 | 34.5 Ų | 34.5 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | N1810 T1817 E1818 | N1810-S1814 PolarHBondContact O-N 3.49Å; N1810-S1814 VanDerWaalsContact O-N 3.14Å; S1814-T1817 WeakPolarHBondContact O-CB 3.4Å; S1814-T1817 PolarHBondContact O-N 3.35Å; S1814-E1818 PolarHBondContact O-N 3.36Å |
| 1815 | W | 89.8 | Confident | 80.8 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 179.6 | -176.3 | 86.6 | 0 | 0 | 0 | 113.4 | Q1811 L1812 T1817 E1818 F1819 F1858 W1902 I1903 T1906 P1908 W1909 | Q1811-W1815 VanDerWaalsContact O-CB 3.24Å; Q1811-W1815 WeakPolarHBondContact O-CB 3.28Å; Q1811-W1815 PolarHBondContact O-N 2.77Å; L1812-W1815 PolarHBondContact O-N 2.9Å; W1815-T1817 PolarHBondContact O-N 3.45Å; W1815-E1818 PolarHBondContact O-N 3.34Å; W1815-F1819 HydrophobicContact CD2-CB 4.47Å; W1815-F1819 HydrophobicContact CE3-CB 4.33Å; W1815-F1819 HydrophobicContact CH2-CB 4.28Å; W1815-F1819 HydrophobicContact CH2-CD2 4.2Å; W1815-F1819 HydrophobicContact CH2-CG 4.09Å; W1815-F1819 HydrophobicContact CZ2-CB 4.41Å; W1815-F1819 HydrophobicContact CZ2-CD2 4.42Å; W1815-F1819 HydrophobicContact CZ3-CB 4.24Å; W1815-F1819 HydrophobicContact CZ3-CD1 4.49Å; W1815-F1819 HydrophobicContact CZ3-CG 4.26Å; W1815-F1819 VanDerWaalsContact O-CB 3.24Å; W1815-F1819 WeakPolarHBondContact O-CB 3.47Å; W1815-F1819 PolarHBondContact O-N 3.43Å; W1815-F1858 HydrophobicContact CH2-CE1 4.26Å; W1815-F1858 AromaticContact CH2-CE2 3.75Å; W1815-F1858 HydrophobicContact CH2-CE2 3.75Å; W1815-F1858 AromaticContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CZ3-CD2 4.13Å; W1815-F1858 AromaticContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CZ 4.06Å; W1815-W1902 AromaticContact CD1-CH2 3.56Å; W1815-W1902 HydrophobicContact CD2-CH2 4.35Å; W1815-W1902 AromaticContact CE2-CH2 3.75Å; W1815-W1902 AromaticContact CE2-CZ3 3.59Å; W1815-W1902 HydrophobicContact CG-CH2 4.25Å; W1815-W1902 HydrophobicContact CZ2-CH2 4.37Å; W1815-W1902 AromaticContact CZ2-CZ3 3.74Å; W1815-W1902 HydrophobicContact CZ2-CZ3 3.74Å; W1815-W1902 AromaticContact NE1-CH2 3.2Å; W1815-W1902 AromaticContact NE1-CZ2 3.95Å; W1815-W1902 AromaticContact NE1-CZ3 3.35Å; W1815-W1902 VanDerWaalsContact NE1-CZ3 3.35Å; W1815-I1903 HydrophobicContact CZ2-CB 4.48Å; W1815-I1903 HydrophobicContact CZ2-CG1 4.21Å; W1815-I1903 HydrophobicContact CZ2-CG2 4.2Å; W1815-T1906 VanDerWaalsContact CD1-O 3.23Å; W1815-T1906 PolarHBondContact NE1-O 3.06Å; W1815-T1906 PolarHBondContact NE1-OG1 3.47Å; W1815-P1908 HydrophobicContact CB-CB 3.9Å; W1815-P1908 HydrophobicContact CB-CG 4.02Å; W1815-P1908 HydrophobicContact CD2-CB 4.34Å; W1815-P1908 HydrophobicContact CD2-CG 3.54Å; W1815-P1908 HydrophobicContact CE3-CG 3.68Å; W1815-P1908 HydrophobicContact CG-CB 3.93Å; W1815-P1908 HydrophobicContact CG-CG 3.67Å; W1815-P1908 HydrophobicContact CZ3-CG 4.37Å; W1815-W1909 HydrophobicContact CH2-CZ3 4.3Å; W1815-W1909 HydrophobicContact CZ3-CH2 4.01Å; W1815-W1909 HydrophobicContact CZ3-CZ3 4.02Å |
| 1816 | L | 88.7 | Confident | 80.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -34.2 | 176.4 | -76.2 | 170.8 | 0 | 0 | 0 | 111.6 | L1771 L1812 W1820 C1847 W1857 F1858 | L1771-L1816 HydrophobicContact CD1-CB 4.43Å; L1812-L1816 HydrophobicContact CD1-CD1 3.92Å; L1812-L1816 HydrophobicContact CD1-CG 3.93Å; L1812-L1816 HydrophobicContact CG-CD1 3.89Å; L1812-L1816 HydrophobicContact CG-CG 4.3Å; L1812-L1816 WeakPolarHBondContact O-CB 3.31Å; L1812-L1816 VanDerWaalsContact O-CG 3.32Å; L1812-L1816 WeakPolarHBondContact O-CG 3.27Å; L1812-L1816 PolarHBondContact O-N 3.2Å; L1816-W1820 VanDerWaalsContact O-CB 3.28Å; L1816-W1820 WeakPolarHBondContact O-CB 3.27Å; L1816-W1820 PolarHBondContact O-N 3.14Å; L1816-C1847 HydrophobicContact CD1-CB 4.25Å; L1816-C1847 VanDerWaalsContact CD1-SG 3.58Å; L1816-W1857 HydrophobicContact CD1-CZ3 4.38Å; L1816-W1857 HydrophobicContact CD2-CH2 4.42Å; L1816-W1857 HydrophobicContact CD2-CZ3 3.95Å; L1816-F1858 HydrophobicContact CD2-CD2 4.17Å |
| 1817 | T | 86.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72 | -41.1 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | K1764 E1768 V1813 S1814 W1815 N1821 | K1764-T1817 HydrophobicContact CD-CG2 4.13Å; K1764-T1817 HydrophobicContact CG-CG2 3.33Å; E1768-T1817 HydrophobicContact CB-CG2 4.09Å; V1813-T1817 WeakPolarHBondContact O-CB 3.42Å; V1813-T1817 PolarHBondContact O-N 2.77Å; V1813-T1817 PolarHBondContact O-OG1 3.4Å; S1814-T1817 WeakPolarHBondContact O-CB 3.4Å; S1814-T1817 PolarHBondContact O-N 3.35Å; W1815-T1817 PolarHBondContact O-N 3.45Å; T1817-N1821 PolarHBondContact O-N 3.46Å |
| 1818 | E | 85.5 | Confident | 79.6 | Confident | 95 Ų | 95 | 30.5 Ų | 30.5 | 44% | 0.444 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.9 | -40.8 | 172.3 | -70.3 | -171.5 | 166.8 | 0 | 0 | 112.9 | S1814 W1815 W1820 N1821 Q1822 W1902 | S1814-E1818 PolarHBondContact O-N 3.36Å; W1815-E1818 PolarHBondContact O-N 3.34Å; E1818-W1820 VanDerWaalsContact C-N 3.35Å; E1818-W1820 PolarHBondContact O-N 2.93Å; E1818-N1821 WeakPolarHBondContact O-CB 3.38Å; E1818-N1821 PolarHBondContact O-N 2.87Å; E1818-Q1822 PolarHBondContact O-N 3Å; E1818-W1902 HydrophobicContact CB-CH2 4.01Å; E1818-W1902 HydrophobicContact CB-CZ2 3.97Å |
| 1819 | F | 88 | Confident | 78.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 174.9 | 171.5 | -108.1 | 0 | 0 | 0 | 111.8 | W1815 N1821 Q1822 L1823 F1844 F1858 W1862 L1866 W1902 I1903 | W1815-F1819 HydrophobicContact CD2-CB 4.47Å; W1815-F1819 HydrophobicContact CE3-CB 4.33Å; W1815-F1819 HydrophobicContact CH2-CB 4.28Å; W1815-F1819 HydrophobicContact CH2-CD2 4.2Å; W1815-F1819 HydrophobicContact CH2-CG 4.09Å; W1815-F1819 HydrophobicContact CZ2-CB 4.41Å; W1815-F1819 HydrophobicContact CZ2-CD2 4.42Å; W1815-F1819 HydrophobicContact CZ3-CB 4.24Å; W1815-F1819 HydrophobicContact CZ3-CD1 4.49Å; W1815-F1819 HydrophobicContact CZ3-CG 4.26Å; W1815-F1819 VanDerWaalsContact O-CB 3.24Å; W1815-F1819 WeakPolarHBondContact O-CB 3.47Å; W1815-F1819 PolarHBondContact O-N 3.43Å; F1819-N1821 VanDerWaalsContact C-N 3.34Å; F1819-N1821 PolarHBondContact O-N 2.86Å; F1819-Q1822 PolarHBondContact O-N 3.24Å; F1819-L1823 HydrophobicContact CD1-CD1 4.07Å; F1819-L1823 HydrophobicContact CE1-CD1 3.4Å; F1819-L1823 VanDerWaalsContact CE1-CD1 3.4Å; F1819-L1823 HydrophobicContact CE1-CG 4.03Å; F1819-L1823 HydrophobicContact CE2-CD1 4.26Å; F1819-L1823 HydrophobicContact CE2-CD2 4.2Å; F1819-L1823 HydrophobicContact CE2-CG 4.01Å; F1819-L1823 HydrophobicContact CZ-CD1 3.53Å; F1819-L1823 HydrophobicContact CZ-CD2 4Å; F1819-L1823 HydrophobicContact CZ-CG 3.77Å; F1819-L1823 WeakPolarHBondContact O-CG 3.24Å; F1819-L1823 PolarHBondContact O-N 3.11Å; F1819-F1844 AromaticContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CZ 4.36Å; F1819-F1844 AromaticContact CE1-CE1 3.76Å; F1819-F1844 HydrophobicContact CE1-CE1 3.76Å; F1819-F1844 AromaticContact CE1-CZ 4Å; F1819-F1844 HydrophobicContact CE1-CZ 4Å; F1819-F1858 AromaticContact CD1-CE2 3.94Å; F1819-F1858 HydrophobicContact CD1-CE2 3.94Å; F1819-F1858 AromaticContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CZ 4.09Å; F1819-F1858 HydrophobicContact CE2-CE2 4.46Å; F1819-F1858 HydrophobicContact CE2-CZ 4.28Å; F1819-F1858 AromaticContact CZ-CE2 3.79Å; F1819-F1858 HydrophobicContact CZ-CE2 3.79Å; F1819-F1858 AromaticContact CZ-CZ 3.87Å; F1819-F1858 HydrophobicContact CZ-CZ 3.87Å; F1819-W1862 HydrophobicContact CE2-CE3 4.39Å; F1819-W1862 AromaticContact CE2-CZ3 3.88Å; F1819-W1862 HydrophobicContact CE2-CZ3 3.88Å; F1819-W1862 AromaticContact CZ-CE3 3.9Å; F1819-W1862 HydrophobicContact CZ-CE3 3.9Å; F1819-W1862 AromaticContact CZ-CZ3 3.74Å; F1819-W1862 HydrophobicContact CZ-CZ3 3.74Å; F1819-L1866 HydrophobicContact CE1-CD1 3.98Å; F1819-L1866 HydrophobicContact CZ-CD1 3.88Å; F1819-W1902 HydrophobicContact CB-CH2 4.08Å; F1819-W1902 HydrophobicContact CB-CZ3 3.82Å; F1819-W1902 HydrophobicContact CD2-CZ3 4.11Å; F1819-W1902 HydrophobicContact CG-CZ3 4.46Å; F1819-I1903 HydrophobicContact CD2-CD1 4.3Å; F1819-I1903 HydrophobicContact CD2-CG1 4.17Å; F1819-I1903 HydrophobicContact CE2-CD1 3.74Å; F1819-I1903 HydrophobicContact CE2-CG1 4.12Å |
| 1820 | W | 85.1 | Confident | 77 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 175.3 | 179.8 | 87.2 | 0 | 0 | 0 | 112.1 | I1760 A1763 K1764 L1767 L1816 E1818 N1824 I1838 F1839 I1841 F1844 | I1760-W1820 HydrophobicContact CG2-CH2 4.35Å; I1760-W1820 HydrophobicContact CG2-CZ3 3.87Å; A1763-W1820 HydrophobicContact CB-CH2 3.42Å; A1763-W1820 VanDerWaalsContact CB-CH2 3.42Å; A1763-W1820 HydrophobicContact CB-CZ2 4.22Å; A1763-W1820 HydrophobicContact CB-CZ3 4.1Å; K1764-W1820 HydrophobicContact CB-CZ3 4.25Å; L1767-W1820 HydrophobicContact CD2-CB 3.81Å; L1767-W1820 HydrophobicContact CD2-CD2 3.97Å; L1767-W1820 HydrophobicContact CD2-CE3 4.39Å; L1767-W1820 HydrophobicContact CD2-CG 3.71Å; L1816-W1820 VanDerWaalsContact O-CB 3.28Å; L1816-W1820 WeakPolarHBondContact O-CB 3.27Å; L1816-W1820 PolarHBondContact O-N 3.14Å; E1818-W1820 VanDerWaalsContact C-N 3.35Å; E1818-W1820 PolarHBondContact O-N 2.93Å; W1820-N1824 WeakPolarHBondContact CZ2-ND2 3.39Å; W1820-N1824 PolarHBondContact O-N 3.46Å; W1820-N1824 PolarHBondContact O-ND2 3.48Å; W1820-I1838 HydrophobicContact CH2-CG2 3.65Å; W1820-I1838 HydrophobicContact CZ2-CG2 3.28Å; W1820-F1839 PolarHBondContact NE1-O 3.3Å; W1820-I1841 HydrophobicContact CZ2-CD1 4.36Å; W1820-I1841 HydrophobicContact CZ2-CG1 3.76Å; W1820-F1844 AromaticContact CD1-CD2 3.51Å; W1820-F1844 AromaticContact CD1-CE2 3.59Å; W1820-F1844 AromaticContact CD1-CG 3.98Å |
| 1821 | N | 83 | Confident | 75.6 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -52.3 | 169.8 | -93.8 | 51.4 | 0 | 0 | 0 | 111.4 | K1764 T1817 E1818 F1819 L1823 N1824 E1825 | K1764-N1821 VanDerWaalsContact CB-OD1 3.29Å; K1764-N1821 WeakPolarHBondContact CB-OD1 3.26Å; K1764-N1821 WeakPolarHBondContact CD-OD1 3.3Å; K1764-N1821 WeakPolarHBondContact CG-OD1 3.32Å; T1817-N1821 PolarHBondContact O-N 3.46Å; E1818-N1821 WeakPolarHBondContact O-CB 3.38Å; E1818-N1821 PolarHBondContact O-N 2.87Å; F1819-N1821 VanDerWaalsContact C-N 3.34Å; F1819-N1821 PolarHBondContact O-N 2.86Å; N1821-L1823 VanDerWaalsContact C-N 3.28Å; N1821-L1823 PolarHBondContact O-N 2.97Å; N1821-N1824 PolarHBondContact O-N 2.79Å; N1821-E1825 PolarHBondContact O-N 3.27Å |
| 1822 | Q | 79.1 | Confident | 73.8 | Confident | 48 Ų | 48 | 40 Ų | 40 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -35.7 | -178.9 | -69.5 | -168.4 | 14.9 | 0 | 0 | 113 | E1818 F1819 N1824 E1825 I1826 I1899 W1902 | E1818-Q1822 PolarHBondContact O-N 3Å; F1819-Q1822 PolarHBondContact O-N 3.24Å; Q1822-N1824 VanDerWaalsContact C-N 3.29Å; Q1822-N1824 PolarHBondContact O-N 2.87Å; Q1822-E1825 PolarHBondContact O-N 3.28Å; Q1822-I1826 PolarHBondContact O-N 3.41Å; Q1822-I1899 HydrophobicContact CB-CD1 4.25Å; Q1822-I1899 HydrophobicContact CB-CG1 4.37Å; Q1822-I1899 WeakPolarHBondContact O-CD1 3.28Å; Q1822-W1902 VanDerWaalsContact NE2-CD1 3.32Å; Q1822-W1902 VanDerWaalsContact NE2-CD2 3.26Å; Q1822-W1902 VanDerWaalsContact OE1-CD2 3.26Å |
| 1823 | L | 78.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -35.1 | 172.5 | -79.3 | 179.3 | 0 | 0 | 0 | 113.2 | F1819 N1821 I1826 P1827 F1839 F1844 L1866 L1870 | F1819-L1823 HydrophobicContact CD1-CD1 4.07Å; F1819-L1823 HydrophobicContact CE1-CD1 3.4Å; F1819-L1823 VanDerWaalsContact CE1-CD1 3.4Å; F1819-L1823 HydrophobicContact CE1-CG 4.03Å; F1819-L1823 HydrophobicContact CE2-CD1 4.26Å; F1819-L1823 HydrophobicContact CE2-CD2 4.2Å; F1819-L1823 HydrophobicContact CE2-CG 4.01Å; F1819-L1823 HydrophobicContact CZ-CD1 3.53Å; F1819-L1823 HydrophobicContact CZ-CD2 4Å; F1819-L1823 HydrophobicContact CZ-CG 3.77Å; F1819-L1823 WeakPolarHBondContact O-CG 3.24Å; F1819-L1823 PolarHBondContact O-N 3.11Å; N1821-L1823 VanDerWaalsContact C-N 3.28Å; N1821-L1823 PolarHBondContact O-N 2.97Å; L1823-I1826 HydrophobicContact CD2-CD1 4.19Å; L1823-P1827 WeakPolarHBondContact O-CD 3.49Å; L1823-F1839 HydrophobicContact CB-CD2 4.35Å; L1823-F1839 WeakPolarHBondContact O-CE2 3.44Å; L1823-F1844 HydrophobicContact CD1-CE2 4.5Å; L1823-F1844 HydrophobicContact CD1-CZ 3.72Å; L1823-L1866 HydrophobicContact CD1-CD1 3.93Å; L1823-L1866 HydrophobicContact CD1-CD2 3.83Å; L1823-L1870 HydrophobicContact CD2-CD1 4.35Å |
| 1824 | N | 75.7 | Confident | 69.2 | Low | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.2 | -32.3 | 178.7 | -75.1 | -71.5 | 0 | 0 | 0 | 112.6 | I1760 W1820 N1821 Q1822 I1826 P1827 Y1828 I1838 F1839 | I1760-N1824 HydrophobicContact CG2-CB 4.33Å; W1820-N1824 WeakPolarHBondContact CZ2-ND2 3.39Å; W1820-N1824 PolarHBondContact O-N 3.46Å; W1820-N1824 PolarHBondContact O-ND2 3.48Å; N1821-N1824 PolarHBondContact O-N 2.79Å; Q1822-N1824 VanDerWaalsContact C-N 3.29Å; Q1822-N1824 PolarHBondContact O-N 2.87Å; N1824-I1826 PolarHBondContact O-N 3Å; N1824-P1827 WeakPolarHBondContact O-CD 3Å; N1824-P1827 VanDerWaalsContact O-CG 3.26Å; N1824-P1827 WeakPolarHBondContact O-CG 3.21Å; N1824-Y1828 HydrophobicContact CB-CE2 4.41Å; N1824-Y1828 WeakPolarHBondContact O-CD2 3.07Å; N1824-Y1828 PolarHBondContact O-N 2.89Å; N1824-I1838 WeakPolarHBondContact OD1-CA 3.48Å; N1824-I1838 WeakPolarHBondContact OD1-CG2 3.32Å; N1824-F1839 PolarHBondContact OD1-N 2.85Å |
| 1825 | E | 71.1 | Confident | 67.1 | Low | 97 Ų | 97 | 52.7 Ų | 52.7 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.1 | -30.4 | 171.7 | -68 | -61.2 | 143 | 0 | 0 | 112.4 | I1760 N1821 Q1822 Y1828 S1829 | I1760-E1825 VanDerWaalsContact CD1-OE1 3.31Å; I1760-E1825 WeakPolarHBondContact CD1-OE1 3.43Å; N1821-E1825 PolarHBondContact O-N 3.27Å; Q1822-E1825 PolarHBondContact O-N 3.28Å; E1825-Y1828 PolarHBondContact O-N 2.88Å; E1825-S1829 WeakPolarHBondContact O-CB 3.29Å; E1825-S1829 PolarHBondContact O-N 2.68Å; E1825-S1829 PolarHBondContact O-OG 3.49Å |
| 1826 | I | 66 | Low | 65 | Low | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.7 | -66 | 175.5 | -55.7 | 166.6 | 0 | 0 | 0 | 111 | Q1822 L1823 N1824 Y1828 S1829 L1830 L1870 T1895 L1896 I1899 | Q1822-I1826 PolarHBondContact O-N 3.41Å; L1823-I1826 HydrophobicContact CD2-CD1 4.19Å; N1824-I1826 PolarHBondContact O-N 3Å; I1826-Y1828 VanDerWaalsContact C-N 3.33Å; I1826-Y1828 PolarHBondContact O-N 3.34Å; I1826-S1829 PolarHBondContact O-N 3.21Å; I1826-S1829 PolarHBondContact O-OG 3.13Å; I1826-L1830 HydrophobicContact CG2-CD1 3.69Å; I1826-L1830 VanDerWaalsContact O-CG 3.31Å; I1826-L1830 WeakPolarHBondContact O-CG 3.37Å; I1826-L1830 PolarHBondContact O-N 3.42Å; I1826-L1870 HydrophobicContact CD1-CD2 3.89Å; I1826-L1870 HydrophobicContact CG2-CD2 4.37Å; I1826-T1895 HydrophobicContact CG1-CG2 4.18Å; I1826-L1896 HydrophobicContact CD1-CD2 4.23Å; I1826-I1899 HydrophobicContact CD1-CD1 3.52Å; I1826-I1899 HydrophobicContact CG1-CD1 3.32Å |
| 1827 | P | 59.3 | Low | 63.2 | Low | 21 Ų | 21 | 57.5 Ų | 57.5 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -31.2 | 179.6 | 23.8 | -33.9 | 0 | 0 | 0 | 113.9 | L1823 N1824 S1829 L1830 L1831 F1836 F1839 | L1823-P1827 WeakPolarHBondContact O-CD 3.49Å; N1824-P1827 WeakPolarHBondContact O-CD 3Å; N1824-P1827 VanDerWaalsContact O-CG 3.26Å; N1824-P1827 WeakPolarHBondContact O-CG 3.21Å; P1827-S1829 VanDerWaalsContact C-N 3.29Å; P1827-S1829 PolarHBondContact O-N 3.43Å; P1827-L1830 PolarHBondContact O-N 2.84Å; P1827-L1831 HydrophobicContact CB-CD1 3.88Å; P1827-L1831 PolarHBondContact O-N 3.15Å; P1827-F1836 HydrophobicContact CB-CE2 3.93Å; P1827-F1836 HydrophobicContact CB-CZ 4.41Å; P1827-F1836 HydrophobicContact CG-CE2 3.92Å; P1827-F1836 HydrophobicContact CG-CZ 3.9Å; P1827-F1839 HydrophobicContact CG-CE2 4.13Å |
| 1828 | Y | 56.5 | Low | 61.9 | Low | 82 Ų | 82 | 58 Ų | 58 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 174.7 | -81.2 | -68.9 | 0 | 0 | 0 | 111.8 | I1760 N1824 E1825 I1826 L1830 F1836 | I1760-Y1828 HydrophobicContact CD1-CD2 3.59Å; I1760-Y1828 HydrophobicContact CD1-CE2 3.18Å; I1760-Y1828 HydrophobicContact CG1-CD2 4.32Å; I1760-Y1828 HydrophobicContact CG1-CE2 3.42Å; I1760-Y1828 VanDerWaalsContact CG1-CE2 3.42Å; N1824-Y1828 HydrophobicContact CB-CE2 4.41Å; N1824-Y1828 WeakPolarHBondContact O-CD2 3.07Å; N1824-Y1828 PolarHBondContact O-N 2.89Å; E1825-Y1828 PolarHBondContact O-N 2.88Å; I1826-Y1828 VanDerWaalsContact C-N 3.33Å; I1826-Y1828 PolarHBondContact O-N 3.34Å; Y1828-L1830 VanDerWaalsContact C-N 3.34Å; Y1828-F1836 AromaticContact CD1-CD2 3.62Å; Y1828-F1836 HydrophobicContact CD1-CD2 3.62Å; Y1828-F1836 AromaticContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CG 4.21Å; Y1828-F1836 HydrophobicContact CD1-CZ 4.05Å; Y1828-F1836 HydrophobicContact CD2-CD2 4.46Å; Y1828-F1836 HydrophobicContact CD2-CE1 4.1Å; Y1828-F1836 AromaticContact CD2-CE2 3.6Å; Y1828-F1836 HydrophobicContact CD2-CE2 3.6Å; Y1828-F1836 AromaticContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CE1-CB 4.5Å; Y1828-F1836 AromaticContact CE1-CD1 3.81Å; Y1828-F1836 HydrophobicContact CE1-CD1 3.81Å; Y1828-F1836 AromaticContact CE1-CD2 3.52Å; Y1828-F1836 HydrophobicContact CE1-CD2 3.52Å; Y1828-F1836 AromaticContact CE1-CE1 3.91Å; Y1828-F1836 HydrophobicContact CE1-CE1 3.91Å; Y1828-F1836 AromaticContact CE1-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE1-CE2 3.65Å; Y1828-F1836 AromaticContact CE1-CG 3.62Å; Y1828-F1836 HydrophobicContact CE1-CG 3.62Å; Y1828-F1836 AromaticContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE2-CD1 4.04Å; Y1828-F1836 HydrophobicContact CE2-CD2 4.33Å; Y1828-F1836 AromaticContact CE2-CE1 3.31Å; Y1828-F1836 HydrophobicContact CE2-CE1 3.31Å; Y1828-F1836 AromaticContact CE2-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE2-CE2 3.65Å; Y1828-F1836 AromaticContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CG-CD2 4.1Å; Y1828-F1836 AromaticContact CG-CE2 3.5Å; Y1828-F1836 HydrophobicContact CG-CE2 3.5Å; Y1828-F1836 AromaticContact CG-CZ 3.83Å; Y1828-F1836 HydrophobicContact CG-CZ 3.83Å; Y1828-F1836 AromaticContact CZ-CD1 3.45Å; Y1828-F1836 VanDerWaalsContact CZ-CD1 3.45Å; Y1828-F1836 AromaticContact CZ-CD2 3.9Å; Y1828-F1836 AromaticContact CZ-CE1 3.22Å; Y1828-F1836 AromaticContact CZ-CE2 3.7Å; Y1828-F1836 AromaticContact CZ-CG 3.79Å; Y1828-F1836 AromaticContact CZ-CZ 3.37Å; Y1828-F1836 VanDerWaalsContact OH-CD1 3.28Å; Y1828-F1836 WeakPolarHBondContact OH-CD1 3.4Å; Y1828-F1836 VanDerWaalsContact OH-CE1 3.27Å; Y1828-F1836 WeakPolarHBondContact OH-CE1 3.4Å |
| 1829 | S | 54 | Low | 61 | Low | 73 Ų | 73 | 55 Ų | 55 | 51% | 0.51 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.1 | -18.9 | 178 | 73 | 0 | 0 | 0 | 0 | 114.5 | E1825 I1826 P1827 | E1825-S1829 WeakPolarHBondContact O-CB 3.29Å; E1825-S1829 PolarHBondContact O-N 2.68Å; E1825-S1829 PolarHBondContact O-OG 3.49Å; I1826-S1829 PolarHBondContact O-N 3.21Å; I1826-S1829 PolarHBondContact O-OG 3.13Å; P1827-S1829 VanDerWaalsContact C-N 3.29Å; P1827-S1829 PolarHBondContact O-N 3.43Å |
| 1830 | L | 50 | Low | 59.9 | Low | 43 Ų | 43 | 55.5 Ų | 55.5 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -109.5 | -28 | -171.1 | -64.6 | 178.9 | 0 | 0 | 0 | 114.6 | I1826 P1827 Y1828 I1892 | I1826-L1830 HydrophobicContact CG2-CD1 3.69Å; I1826-L1830 VanDerWaalsContact O-CG 3.31Å; I1826-L1830 WeakPolarHBondContact O-CG 3.37Å; I1826-L1830 PolarHBondContact O-N 3.42Å; P1827-L1830 PolarHBondContact O-N 2.84Å; Y1828-L1830 VanDerWaalsContact C-N 3.34Å; L1830-I1892 HydrophobicContact CD1-CD1 4.38Å; L1830-I1892 HydrophobicContact CD1-CG1 3.76Å; L1830-I1892 HydrophobicContact CD1-CG2 4.47Å; L1830-I1892 HydrophobicContact CD2-CD1 4.38Å; L1830-I1892 HydrophobicContact CD2-CG1 3.48Å; L1830-I1892 VanDerWaalsContact CD2-CG1 3.48Å; L1830-I1892 HydrophobicContact CG-CG1 4.25Å |
| 1831 | L | 50.6 | Low | 59.4 | Low | 81 Ų | 81 | 55.6 Ų | 55.6 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | trans | -114.9 | 88.5 | -178.9 | -70.3 | 109.9 | 0 | 0 | 0 | 110.7 | P1827 S1833 | P1827-L1831 HydrophobicContact CB-CD1 3.88Å; P1827-L1831 PolarHBondContact O-N 3.15Å; L1831-S1833 PolarHBondContact O-N 2.84Å | ||
| 1832 | Q | 44.4 | Very low | 58.9 | Low | 200 Ų | 200 | 57.8 Ų | 57.8 | 94% | 0.935 | 30% | 0.296 | S | S | * | . | trans | -71.2 | 40 | 168.9 | -65.8 | -172.3 | -32.2 | 0 | 0 | 112.8 | ||||
| 1833 | S | 37.8 | Very low | 58.8 | Low | 62 Ų | 62 | 56.8 Ų | 56.8 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -128.3 | 133.7 | -174.5 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | L1831 Q1835 | L1831-S1833 PolarHBondContact O-N 2.84Å; S1833-Q1835 PolarHBondContact O-N 3.42Å |
| 1834 | N | 37.5 | Very low | 59 | Low | 163 Ų | 163 | 56.9 Ų | 56.9 | 87% | 0.872 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -59.9 | -4.2 | -167.4 | -67.7 | -0.5 | 0 | 0 | 0 | 117.2 | F1836 | N1834-F1836 PolarHBondContact O-N 2.84Š|
| 1835 | Q | 42.2 | Very low | 59.2 | Low | 97 Ų | 97 | 58.4 Ų | 58.4 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | trans | -90.9 | 73 | 176.4 | -67.9 | -176.2 | -68.5 | 0 | 0 | 111.3 | G1738 I1740 S1833 T1837 | G1738-Q1835 PolarHBondContact O-NE2 3.38Å; I1740-Q1835 HydrophobicContact CG1-CG 4.48Å; S1833-Q1835 PolarHBondContact O-N 3.42Å; Q1835-T1837 PolarHBondContact O-N 3.48Å | ||
| 1836 | F | 45 | Very low | 59.7 | Low | 45 Ų | 45 | 56.4 Ų | 56.4 | 20% | 0.197 | 30% | 0.296 | C | S | . | . | trans | -82.9 | 107.4 | 176.8 | -163.7 | -90 | 0 | 0 | 0 | 112.6 | P1827 Y1828 N1834 I1838 | P1827-F1836 HydrophobicContact CB-CE2 3.93Å; P1827-F1836 HydrophobicContact CB-CZ 4.41Å; P1827-F1836 HydrophobicContact CG-CE2 3.92Å; P1827-F1836 HydrophobicContact CG-CZ 3.9Å; Y1828-F1836 AromaticContact CD1-CD2 3.62Å; Y1828-F1836 HydrophobicContact CD1-CD2 3.62Å; Y1828-F1836 AromaticContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CG 4.21Å; Y1828-F1836 HydrophobicContact CD1-CZ 4.05Å; Y1828-F1836 HydrophobicContact CD2-CD2 4.46Å; Y1828-F1836 HydrophobicContact CD2-CE1 4.1Å; Y1828-F1836 AromaticContact CD2-CE2 3.6Å; Y1828-F1836 HydrophobicContact CD2-CE2 3.6Å; Y1828-F1836 AromaticContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CE1-CB 4.5Å; Y1828-F1836 AromaticContact CE1-CD1 3.81Å; Y1828-F1836 HydrophobicContact CE1-CD1 3.81Å; Y1828-F1836 AromaticContact CE1-CD2 3.52Å; Y1828-F1836 HydrophobicContact CE1-CD2 3.52Å; Y1828-F1836 AromaticContact CE1-CE1 3.91Å; Y1828-F1836 HydrophobicContact CE1-CE1 3.91Å; Y1828-F1836 AromaticContact CE1-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE1-CE2 3.65Å; Y1828-F1836 AromaticContact CE1-CG 3.62Å; Y1828-F1836 HydrophobicContact CE1-CG 3.62Å; Y1828-F1836 AromaticContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE2-CD1 4.04Å; Y1828-F1836 HydrophobicContact CE2-CD2 4.33Å; Y1828-F1836 AromaticContact CE2-CE1 3.31Å; Y1828-F1836 HydrophobicContact CE2-CE1 3.31Å; Y1828-F1836 AromaticContact CE2-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE2-CE2 3.65Å; Y1828-F1836 AromaticContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CG-CD2 4.1Å; Y1828-F1836 AromaticContact CG-CE2 3.5Å; Y1828-F1836 HydrophobicContact CG-CE2 3.5Å; Y1828-F1836 AromaticContact CG-CZ 3.83Å; Y1828-F1836 HydrophobicContact CG-CZ 3.83Å; Y1828-F1836 AromaticContact CZ-CD1 3.45Å; Y1828-F1836 VanDerWaalsContact CZ-CD1 3.45Å; Y1828-F1836 AromaticContact CZ-CD2 3.9Å; Y1828-F1836 AromaticContact CZ-CE1 3.22Å; Y1828-F1836 AromaticContact CZ-CE2 3.7Å; Y1828-F1836 AromaticContact CZ-CG 3.79Å; Y1828-F1836 AromaticContact CZ-CZ 3.37Å; Y1828-F1836 VanDerWaalsContact OH-CD1 3.28Å; Y1828-F1836 WeakPolarHBondContact OH-CD1 3.4Å; Y1828-F1836 VanDerWaalsContact OH-CE1 3.27Å; Y1828-F1836 WeakPolarHBondContact OH-CE1 3.4Å; N1834-F1836 PolarHBondContact O-N 2.84Å; F1836-I1838 HydrophobicContact CD1-CG1 3.81Å; F1836-I1838 HydrophobicContact CE1-CB 4.17Å; F1836-I1838 HydrophobicContact CE1-CG1 3.61Å | ||
| 1837 | T | 51.3 | Low | 60.6 | Low | 69 Ų | 69 | 56.2 Ų | 56.2 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | trans | -96.2 | 104.6 | 167.2 | 40.4 | 0 | 0 | 0 | 0 | 111 | Q1835 | Q1835-T1837 PolarHBondContact O-N 3.48Š| ||
| 1838 | I | 58.6 | Low | 61.6 | Low | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | trans | -56.2 | 135.8 | 168 | -56.3 | 166.2 | 0 | 0 | 0 | 109.7 | A1641 L1757 W1820 N1824 F1836 G1840 | A1641-I1838 HydrophobicContact CB-CB 4.17Å; L1757-I1838 VanDerWaalsContact O-CD1 3.22Å; L1757-I1838 WeakPolarHBondContact O-CD1 3.44Å; W1820-I1838 HydrophobicContact CH2-CG2 3.65Å; W1820-I1838 HydrophobicContact CZ2-CG2 3.28Å; N1824-I1838 WeakPolarHBondContact OD1-CA 3.48Å; N1824-I1838 WeakPolarHBondContact OD1-CG2 3.32Å; F1836-I1838 HydrophobicContact CD1-CG1 3.81Å; F1836-I1838 HydrophobicContact CE1-CB 4.17Å; F1836-I1838 HydrophobicContact CE1-CG1 3.61Å; I1838-G1840 PolarHBondContact O-N 3.16Å; I1838-G1840 VanDerWaalsContact O-N 3.14Å | ||
| 1839 | F | 66.2 | Low | 62.8 | Low | 32 Ų | 32 | 52.6 Ų | 52.6 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | trans | -57.4 | 116.7 | 172.4 | -85.8 | -77.6 | 0 | 0 | 0 | 110.6 | W1820 L1823 N1824 P1827 I1841 I1869 L1870 | W1820-F1839 PolarHBondContact NE1-O 3.3Å; L1823-F1839 HydrophobicContact CB-CD2 4.35Å; L1823-F1839 WeakPolarHBondContact O-CE2 3.44Å; N1824-F1839 PolarHBondContact OD1-N 2.85Å; P1827-F1839 HydrophobicContact CG-CE2 4.13Å; F1839-I1841 PolarHBondContact O-N 3.03Å; F1839-I1841 VanDerWaalsContact O-N 3.1Å; F1839-I1869 HydrophobicContact CE1-CG2 3.88Å; F1839-I1869 HydrophobicContact CZ-CG2 4.25Å; F1839-L1870 HydrophobicContact CZ-CD2 4.1Å | ||
| 1840 | G | 66.6 | Low | 64 | Low | 10 Ų | 10 | 51.7 Ų | 51.7 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -53.9 | 113.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1838 R1842 T1843 | I1838-G1840 PolarHBondContact O-N 3.16Å; I1838-G1840 VanDerWaalsContact O-N 3.14Å; G1840-R1842 PolarHBondContact O-N 2.88Å; G1840-T1843 PolarHBondContact O-N 3.28Å; G1840-T1843 PolarHBondContact O-OG1 2.97Å | ||
| 1841 | I | 74.4 | Confident | 65.2 | Low | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -51.6 | -32.6 | -179.3 | -45.5 | 179.9 | 0 | 0 | 0 | 111.9 | T1644 A1763 Y1766 L1767 W1820 F1839 T1843 F1844 L1845 | T1644-I1841 HydrophobicContact CG2-CD1 4.01Å; T1644-I1841 HydrophobicContact CG2-CG1 4.46Å; A1763-I1841 HydrophobicContact CB-CD1 3.83Å; Y1766-I1841 HydrophobicContact CD1-CD1 4.09Å; Y1766-I1841 HydrophobicContact CD1-CG2 4.48Å; L1767-I1841 HydrophobicContact CB-CG2 3.92Å; L1767-I1841 HydrophobicContact CD1-CG2 3.75Å; L1767-I1841 HydrophobicContact CD2-CG2 4.49Å; L1767-I1841 HydrophobicContact CG-CG2 4.25Å; W1820-I1841 HydrophobicContact CZ2-CD1 4.36Å; W1820-I1841 HydrophobicContact CZ2-CG1 3.76Å; F1839-I1841 PolarHBondContact O-N 3.03Å; F1839-I1841 VanDerWaalsContact O-N 3.1Å; I1841-T1843 PolarHBondContact O-N 3.3Å; I1841-T1843 VanDerWaalsContact O-N 3.08Å; I1841-F1844 PolarHBondContact O-N 2.98Å; I1841-L1845 HydrophobicContact CG2-CD1 4.37Å; I1841-L1845 HydrophobicContact CG2-CG 4.21Å; I1841-L1845 PolarHBondContact O-N 3.31Å; I1841-L1845 VanDerWaalsContact O-N 3.16Å |
| 1842 | R | 71.2 | Confident | 66.3 | Low | 69 Ų | 69 | 50.9 Ų | 50.9 | 26% | 0.26 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -46.7 | -38.4 | -180 | -171.7 | 178.2 | -176.9 | 144.6 | -1 | 113.8 | D1229 A1230 F1236 G1840 | D1229-R1842 PolarHBondContact O-NH2 2.93Å; A1230-R1842 VanDerWaalsContact CA-NH2 3.34Å; A1230-R1842 PolarHBondContact O-NE 2.81Å; A1230-R1842 VanDerWaalsContact O-NE 3.16Å; A1230-R1842 PolarHBondContact O-NH2 3.04Å; F1236-R1842 HydrophobicContact CZ-CB 4.34Å; G1840-R1842 PolarHBondContact O-N 2.88Å |
| 1843 | T | 77 | Confident | 68 | Low | 27 Ų | 27 | 43.7 Ų | 43.7 | 17% | 0.166 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -44.9 | 178.9 | -17.6 | 0 | 0 | 0 | 0 | 111 | F1236 G1840 I1841 L1845 T1846 W1857 L1861 | F1236-T1843 WeakPolarHBondContact CE1-OG1 3.48Å; F1236-T1843 HydrophobicContact CZ-CG2 4.36Å; F1236-T1843 WeakPolarHBondContact CZ-OG1 3.33Å; G1840-T1843 PolarHBondContact O-N 3.28Å; G1840-T1843 PolarHBondContact O-OG1 2.97Å; I1841-T1843 PolarHBondContact O-N 3.3Å; I1841-T1843 VanDerWaalsContact O-N 3.08Å; T1843-L1845 VanDerWaalsContact C-N 3.26Å; T1843-L1845 PolarHBondContact O-N 2.82Å; T1843-T1846 WeakPolarHBondContact O-CB 3.34Å; T1843-T1846 PolarHBondContact O-N 2.82Å; T1843-T1846 PolarHBondContact O-OG1 2.77Å; T1843-W1857 WeakPolarHBondContact O-CZ2 3.44Å; T1843-L1861 HydrophobicContact CG2-CD1 3.5Å |
| 1844 | F | 82.9 | Confident | 70.2 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -30.1 | -179 | -68.4 | -93.2 | 0 | 0 | 0 | 112.2 | L1767 F1819 W1820 L1823 I1841 T1846 C1847 W1857 L1861 L1866 | L1767-F1844 HydrophobicContact CD1-CB 3.92Å; L1767-F1844 HydrophobicContact CD2-CB 4.33Å; F1819-F1844 AromaticContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CZ 4.36Å; F1819-F1844 AromaticContact CE1-CE1 3.76Å; F1819-F1844 HydrophobicContact CE1-CE1 3.76Å; F1819-F1844 AromaticContact CE1-CZ 4Å; F1819-F1844 HydrophobicContact CE1-CZ 4Å; W1820-F1844 AromaticContact CD1-CD2 3.51Å; W1820-F1844 AromaticContact CD1-CE2 3.59Å; W1820-F1844 AromaticContact CD1-CG 3.98Å; L1823-F1844 HydrophobicContact CD1-CE2 4.5Å; L1823-F1844 HydrophobicContact CD1-CZ 3.72Å; I1841-F1844 PolarHBondContact O-N 2.98Å; F1844-T1846 PolarHBondContact O-N 3.46Å; F1844-C1847 VanDerWaalsContact O-CB 3.28Å; F1844-C1847 WeakPolarHBondContact O-CB 3.43Å; F1844-C1847 PolarHBondContact O-N 3.09Å; F1844-C1847 VanDerWaalsContact O-N 3.13Å; F1844-W1857 HydrophobicContact CD1-CH2 4.17Å; F1844-L1861 HydrophobicContact CD1-CD2 4.47Å; F1844-L1861 HydrophobicContact CE1-CD2 3.93Å; F1844-L1861 HydrophobicContact CZ-CD2 3.97Å; F1844-L1866 HydrophobicContact CZ-CD1 4.41Å |
| 1845 | L | 81.1 | Confident | 72.5 | Confident | 31 Ų | 31 | 33.1 Ų | 33.1 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.8 | 170.3 | -59.9 | 178.2 | 0 | 0 | 0 | 114.3 | L1767 S1770 K1774 I1841 T1843 | L1767-L1845 HydrophobicContact CD1-CD2 3.83Å; L1767-L1845 HydrophobicContact CD1-CG 4.48Å; S1770-L1845 VanDerWaalsContact CB-CD2 3.44Å; K1774-L1845 PolarHBondContact NZ-O 3.07Å; I1841-L1845 HydrophobicContact CG2-CD1 4.37Å; I1841-L1845 HydrophobicContact CG2-CG 4.21Å; I1841-L1845 PolarHBondContact O-N 3.31Å; I1841-L1845 VanDerWaalsContact O-N 3.16Å; T1843-L1845 VanDerWaalsContact C-N 3.26Å; T1843-L1845 PolarHBondContact O-N 2.82Å |
| 1846 | T | 81.6 | Confident | 74.4 | Confident | 55 Ų | 55 | 31.8 Ų | 31.8 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.1 | 171.9 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | T1843 F1844 P1848 W1857 | T1843-T1846 WeakPolarHBondContact O-CB 3.34Å; T1843-T1846 PolarHBondContact O-N 2.82Å; T1843-T1846 PolarHBondContact O-OG1 2.77Å; F1844-T1846 PolarHBondContact O-N 3.46Å; T1846-P1848 WeakPolarHBondContact O-CD 3.48Å; T1846-W1857 PolarHBondContact OG1-NE1 2.56Å |
| 1847 | C | 83.9 | Confident | 76.5 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | trans | -56.7 | 122.2 | 177.8 | -175.9 | 0 | 0 | 0 | 0 | 111 | L1816 F1844 M1849 W1857 | L1816-C1847 HydrophobicContact CD1-CB 4.25Å; L1816-C1847 VanDerWaalsContact CD1-SG 3.58Å; F1844-C1847 VanDerWaalsContact O-CB 3.28Å; F1844-C1847 WeakPolarHBondContact O-CB 3.43Å; F1844-C1847 PolarHBondContact O-N 3.09Å; F1844-C1847 VanDerWaalsContact O-N 3.13Å; C1847-M1849 HydrophobicContact CB-CE 3.87Å; C1847-M1849 VanDerWaalsContact O-CE 3.23Å; C1847-M1849 WeakPolarHBondContact O-CE 3.47Å; C1847-M1849 PolarHBondContact O-N 3.46Å; C1847-W1857 HydrophobicContact CB-CD2 4.2Å; C1847-W1857 HydrophobicContact CB-CE3 3.97Å; C1847-W1857 HydrophobicContact CB-CH2 3.69Å; C1847-W1857 HydrophobicContact CB-CZ2 3.88Å; C1847-W1857 HydrophobicContact CB-CZ3 3.72Å | ||
| 1848 | P | 81.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 28.2 Ų | 28.2 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | trans | -72.4 | 129 | 174 | 29.5 | -32.7 | 0 | 0 | 0 | 109.3 | T1846 H1850 L1853 S1854 W1857 | T1846-P1848 WeakPolarHBondContact O-CD 3.48Å; P1848-H1850 PolarHBondContact O-N 2.87Å; P1848-L1853 HydrophobicContact CB-CB 4.29Å; P1848-L1853 HydrophobicContact CG-CB 3.96Å; P1848-S1854 WeakPolarHBondContact O-CB 3.46Å; P1848-W1857 HydrophobicContact CG-CB 4.01Å; P1848-W1857 HydrophobicContact CG-CG 4.41Å | ||
| 1849 | M | 80.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -75.1 | 45 | -175.8 | -64.4 | -67.5 | 100.7 | 0 | 0 | 113.6 | L1771 K1774 L1775 Y1778 L1809 V1813 C1847 | L1771-M1849 HydrophobicContact CD2-CE 3.95Å; K1774-M1849 HydrophobicContact CB-CG 3.73Å; K1774-M1849 HydrophobicContact CB-SD 4.12Å; L1775-M1849 HydrophobicContact CB-SD 4.2Å; Y1778-M1849 HydrophobicContact CD1-CB 4.36Å; Y1778-M1849 WeakPolarHBondContact CD1-O 3.35Å; Y1778-M1849 HydrophobicContact CD2-CB 4.33Å; Y1778-M1849 WeakPolarHBondContact CE1-O 3.35Å; Y1778-M1849 HydrophobicContact CG-CB 3.88Å; L1809-M1849 WeakPolarHBondContact CD1-O 3.27Å; V1813-M1849 HydrophobicContact CG2-SD 4.29Å; C1847-M1849 HydrophobicContact CB-CE 3.87Å; C1847-M1849 VanDerWaalsContact O-CE 3.23Å; C1847-M1849 WeakPolarHBondContact O-CE 3.47Å; C1847-M1849 PolarHBondContact O-N 3.46Å |
| 1850 | H | 79.5 | Confident | 80.3 | Confident | 53 Ų | 53 | 32 Ų | 32 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -140.9 | 115.7 | -179.2 | 172.6 | -55.9 | 0 | 0 | 0 | 110.4 | Y1778 P1848 Q1852 L1853 S1854 | Y1778-H1850 HydrophobicContact CE2-CB 4.22Å; Y1778-H1850 PolarHBondContact OH-CD2 2.91Å; Y1778-H1850 VanDerWaalsContact OH-CD2 3.3Å; P1848-H1850 PolarHBondContact O-N 2.87Å; H1850-Q1852 PolarHBondContact ND1-N 2.84Å; H1850-Q1852 PolarHBondContact O-N 3.36Å; H1850-L1853 HydrophobicContact CB-CB 4.39Å; H1850-L1853 HydrophobicContact CB-CD1 4.27Å; H1850-L1853 PolarHBondContact O-N 3.4Å; H1850-S1854 PolarHBondContact O-N 3.22Å |
| 1851 | S | 76.4 | Confident | 81.2 | Confident | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | 41 | -121.7 | 136.2 | 148.8 | 0 | 0 | 0 | 0 | 115.4 | L1853 S1854 | S1851-L1853 PolarHBondContact O-N 2.83Å; S1851-S1854 PolarHBondContact O-OG 3.4Å |
| 1852 | Q | 73.4 | Confident | 81.6 | Confident | 79 Ų | 79 | 32.7 Ų | 32.7 | 37% | 0.369 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.6 | -33.8 | 176.5 | -170 | 61.8 | 36.3 | 0 | 0 | 115.7 | H1850 L1855 N1856 | H1850-Q1852 PolarHBondContact ND1-N 2.84Å; H1850-Q1852 PolarHBondContact O-N 3.36Å; Q1852-L1855 PolarHBondContact O-N 2.82Å; Q1852-N1856 PolarHBondContact O-N 2.83Å |
| 1853 | L | 79.9 | Confident | 82 | Confident | 48 Ų | 48 | 30.9 Ų | 30.9 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -74 | -35.5 | -174.1 | -64.3 | 174.9 | 0 | 0 | 0 | 111.7 | L1219 P1848 H1850 S1851 L1855 N1856 W1857 | L1219-L1853 HydrophobicContact CD1-CD1 3.79Å; L1219-L1853 HydrophobicContact CD2-CD1 3.89Å; L1219-L1853 HydrophobicContact CG-CD1 3.74Å; P1848-L1853 HydrophobicContact CB-CB 4.29Å; P1848-L1853 HydrophobicContact CG-CB 3.96Å; H1850-L1853 HydrophobicContact CB-CB 4.39Å; H1850-L1853 HydrophobicContact CB-CD1 4.27Å; H1850-L1853 PolarHBondContact O-N 3.4Å; S1851-L1853 PolarHBondContact O-N 2.83Å; L1853-L1855 VanDerWaalsContact C-N 3.29Å; L1853-L1855 PolarHBondContact O-N 3.31Å; L1853-N1856 PolarHBondContact O-N 2.79Å; L1853-W1857 WeakPolarHBondContact O-CB 3.4Å; L1853-W1857 PolarHBondContact O-N 3.48Å |
| 1854 | S | 84.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 173.5 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | L1812 P1848 H1850 S1851 F1858 W1909 | L1812-S1854 VanDerWaalsContact CD2-OG 3.3Å; L1812-S1854 WeakPolarHBondContact CD2-OG 3.49Å; P1848-S1854 WeakPolarHBondContact O-CB 3.46Å; H1850-S1854 PolarHBondContact O-N 3.22Å; S1851-S1854 PolarHBondContact O-OG 3.4Å; S1854-F1858 VanDerWaalsContact O-CB 3.28Å; S1854-F1858 WeakPolarHBondContact O-CB 3.35Å; S1854-F1858 PolarHBondContact O-N 3.02Å; S1854-W1909 PolarHBondContact OG-NE1 2.66Å |
| 1855 | L | 85 | Confident | 81.6 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -47.6 | 174.8 | 174.4 | 57.2 | 0 | 0 | 0 | 111.7 | Q1852 L1853 W1857 F1858 L1859 W1907 W1909 V1914 P1917 | Q1852-L1855 PolarHBondContact O-N 2.82Å; L1853-L1855 VanDerWaalsContact C-N 3.29Å; L1853-L1855 PolarHBondContact O-N 3.31Å; L1855-W1857 PolarHBondContact O-N 3.36Å; L1855-F1858 PolarHBondContact O-N 2.78Å; L1855-L1859 HydrophobicContact CD1-CD1 4.13Å; L1855-L1859 HydrophobicContact CD1-CG 4.17Å; L1855-L1859 HydrophobicContact CG-CD1 4.22Å; L1855-L1859 WeakPolarHBondContact O-CG 3.48Å; L1855-L1859 PolarHBondContact O-N 2.75Å; L1855-W1907 HydrophobicContact CD1-CH2 3.76Å; L1855-W1907 HydrophobicContact CD1-CZ2 3.46Å; L1855-W1907 VanDerWaalsContact CD1-CZ2 3.46Å; L1855-W1909 HydrophobicContact CB-CD2 4.18Å; L1855-W1909 HydrophobicContact CB-CG 4.27Å; L1855-W1909 HydrophobicContact CB-CZ2 4.3Å; L1855-W1909 HydrophobicContact CD1-CD2 4.04Å; L1855-W1909 HydrophobicContact CD1-CE3 4.06Å; L1855-W1909 HydrophobicContact CD1-CZ3 4.35Å; L1855-V1914 HydrophobicContact CD2-CB 4.04Å; L1855-V1914 HydrophobicContact CD2-CG1 3.65Å; L1855-V1914 HydrophobicContact CD2-CG2 4.15Å; L1855-P1917 HydrophobicContact CD1-CG 4.35Å |
| 1856 | N | 81.9 | Confident | 81.5 | Confident | 69 Ų | 69 | 35.8 Ų | 35.8 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61 | -46.3 | 178 | -68 | -4.7 | 0 | 0 | 0 | 111 | Q1852 L1853 F1858 L1859 D1860 | Q1852-N1856 PolarHBondContact O-N 2.83Å; L1853-N1856 PolarHBondContact O-N 2.79Å; N1856-F1858 PolarHBondContact O-N 3.39Å; N1856-L1859 PolarHBondContact O-N 3.03Å; N1856-D1860 PolarHBondContact O-N 3.37Å |
| 1857 | W | 89.7 | Confident | 81.3 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 15% | 0.152 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 173.8 | 166.4 | 90.4 | 0 | 0 | 0 | 112.4 | L1816 T1843 F1844 T1846 C1847 P1848 L1853 L1855 L1859 D1860 L1861 | L1816-W1857 HydrophobicContact CD1-CZ3 4.38Å; L1816-W1857 HydrophobicContact CD2-CH2 4.42Å; L1816-W1857 HydrophobicContact CD2-CZ3 3.95Å; T1843-W1857 WeakPolarHBondContact O-CZ2 3.44Å; F1844-W1857 HydrophobicContact CD1-CH2 4.17Å; T1846-W1857 PolarHBondContact OG1-NE1 2.56Å; C1847-W1857 HydrophobicContact CB-CD2 4.2Å; C1847-W1857 HydrophobicContact CB-CE3 3.97Å; C1847-W1857 HydrophobicContact CB-CH2 3.69Å; C1847-W1857 HydrophobicContact CB-CZ2 3.88Å; C1847-W1857 HydrophobicContact CB-CZ3 3.72Å; P1848-W1857 HydrophobicContact CG-CB 4.01Å; P1848-W1857 HydrophobicContact CG-CG 4.41Å; L1853-W1857 WeakPolarHBondContact O-CB 3.4Å; L1853-W1857 PolarHBondContact O-N 3.48Å; L1855-W1857 PolarHBondContact O-N 3.36Å; W1857-L1859 VanDerWaalsContact C-N 3.35Å; W1857-L1859 PolarHBondContact O-N 3.02Å; W1857-D1860 PolarHBondContact O-N 2.87Å; W1857-L1861 HydrophobicContact CH2-CD2 3.62Å; W1857-L1861 HydrophobicContact CZ2-CD2 3.76Å; W1857-L1861 HydrophobicContact CZ3-CD2 4.23Å; W1857-L1861 WeakPolarHBondContact O-CB 3.49Å; W1857-L1861 PolarHBondContact O-N 2.86Å |
| 1858 | F | 88.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 178.3 | 179.7 | -93.7 | 0 | 0 | 0 | 111.8 | W1815 L1816 F1819 S1854 L1855 N1856 L1861 W1862 W1907 W1909 I1920 | W1815-F1858 HydrophobicContact CH2-CE1 4.26Å; W1815-F1858 AromaticContact CH2-CE2 3.75Å; W1815-F1858 HydrophobicContact CH2-CE2 3.75Å; W1815-F1858 AromaticContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CZ3-CD2 4.13Å; W1815-F1858 AromaticContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CZ 4.06Å; L1816-F1858 HydrophobicContact CD2-CD2 4.17Å; F1819-F1858 AromaticContact CD1-CE2 3.94Å; F1819-F1858 HydrophobicContact CD1-CE2 3.94Å; F1819-F1858 AromaticContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CZ 4.09Å; F1819-F1858 HydrophobicContact CE2-CE2 4.46Å; F1819-F1858 HydrophobicContact CE2-CZ 4.28Å; F1819-F1858 AromaticContact CZ-CE2 3.79Å; F1819-F1858 HydrophobicContact CZ-CE2 3.79Å; F1819-F1858 AromaticContact CZ-CZ 3.87Å; F1819-F1858 HydrophobicContact CZ-CZ 3.87Å; S1854-F1858 VanDerWaalsContact O-CB 3.28Å; S1854-F1858 WeakPolarHBondContact O-CB 3.35Å; S1854-F1858 PolarHBondContact O-N 3.02Å; L1855-F1858 PolarHBondContact O-N 2.78Å; N1856-F1858 PolarHBondContact O-N 3.39Å; F1858-L1861 PolarHBondContact O-N 3.34Å; F1858-W1862 HydrophobicContact CE1-CB 4.39Å; F1858-W1862 HydrophobicContact CZ-CE3 4.35Å; F1858-W1862 VanDerWaalsContact O-CB 3.27Å; F1858-W1862 WeakPolarHBondContact O-CB 3.48Å; F1858-W1862 PolarHBondContact O-N 3.15Å; F1858-W1907 HydrophobicContact CD1-CH2 4.24Å; F1858-W1907 HydrophobicContact CD1-CZ3 4.38Å; F1858-W1907 HydrophobicContact CE1-CH2 4.3Å; F1858-W1907 HydrophobicContact CE1-CZ3 4.04Å; F1858-W1909 HydrophobicContact CB-CH2 3.71Å; F1858-W1909 HydrophobicContact CB-CZ2 4.12Å; F1858-W1909 AromaticContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CZ3 4.21Å; F1858-W1909 HydrophobicContact CD2-CH2 4.17Å; F1858-W1909 AromaticContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CZ3 4.34Å; F1858-I1920 HydrophobicContact CE1-CD1 4.37Å |
| 1859 | L | 84.1 | Confident | 80.1 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.7 | -73.6 | 170.4 | 0 | 0 | 0 | 112.1 | L1855 N1856 W1857 W1862 N1863 P1917 I1920 | L1855-L1859 HydrophobicContact CD1-CD1 4.13Å; L1855-L1859 HydrophobicContact CD1-CG 4.17Å; L1855-L1859 HydrophobicContact CG-CD1 4.22Å; L1855-L1859 WeakPolarHBondContact O-CG 3.48Å; L1855-L1859 PolarHBondContact O-N 2.75Å; N1856-L1859 PolarHBondContact O-N 3.03Å; W1857-L1859 VanDerWaalsContact C-N 3.35Å; W1857-L1859 PolarHBondContact O-N 3.02Å; L1859-W1862 PolarHBondContact O-N 2.87Å; L1859-N1863 WeakPolarHBondContact O-CB 3.24Å; L1859-N1863 PolarHBondContact O-N 3.2Å; L1859-N1863 PolarHBondContact O-ND2 3.46Å; L1859-P1917 HydrophobicContact CD1-CB 4.12Å; L1859-P1917 HydrophobicContact CD1-CG 3.89Å; L1859-P1917 HydrophobicContact CD2-CB 3.69Å; L1859-P1917 HydrophobicContact CD2-CG 3.89Å; L1859-P1917 HydrophobicContact CG-CG 4.39Å; L1859-I1920 HydrophobicContact CD2-CD1 3.72Å; L1859-I1920 HydrophobicContact CD2-CG1 3.67Å |
| 1860 | D | 83 | Confident | 79.6 | Confident | 94 Ų | 94 | 37.9 Ų | 37.9 | 50% | 0.503 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.9 | -38.6 | 176.2 | -78.2 | -36.4 | 0 | 0 | 0 | 111.9 | N1856 W1857 N1864 | N1856-D1860 PolarHBondContact O-N 3.37Å; W1857-D1860 PolarHBondContact O-N 2.87Å; D1860-N1864 WeakPolarHBondContact CA-ND2 3.33Å; D1860-N1864 VanDerWaalsContact O-CB 3.22Å; D1860-N1864 WeakPolarHBondContact O-CB 3.04Å; D1860-N1864 PolarHBondContact O-N 3.16Å; D1860-N1864 PolarHBondContact O-ND2 3.26Å; D1860-N1864 PolarHBondContact OD1-ND2 3.46Å |
| 1861 | L | 85.4 | Confident | 78.9 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 172.6 | 178.3 | 68.6 | 0 | 0 | 0 | 111.7 | T1843 F1844 W1857 F1858 M1865 L1866 | T1843-L1861 HydrophobicContact CG2-CD1 3.5Å; F1844-L1861 HydrophobicContact CD1-CD2 4.47Å; F1844-L1861 HydrophobicContact CE1-CD2 3.93Å; F1844-L1861 HydrophobicContact CZ-CD2 3.97Å; W1857-L1861 HydrophobicContact CH2-CD2 3.62Å; W1857-L1861 HydrophobicContact CZ2-CD2 3.76Å; W1857-L1861 HydrophobicContact CZ3-CD2 4.23Å; W1857-L1861 WeakPolarHBondContact O-CB 3.49Å; W1857-L1861 PolarHBondContact O-N 2.86Å; F1858-L1861 PolarHBondContact O-N 3.34Å; L1861-M1865 HydrophobicContact CD1-CB 4.19Å; L1861-M1865 WeakPolarHBondContact O-CB 3.38Å; L1861-M1865 PolarHBondContact O-N 3.07Å; L1861-M1865 VanDerWaalsContact O-N 3.12Å; L1861-L1866 HydrophobicContact CD1-CG 4.44Å; L1861-L1866 HydrophobicContact CD2-CD1 4.11Å; L1861-L1866 HydrophobicContact CG-CD1 3.87Å; L1861-L1866 HydrophobicContact CG-CG 4.12Å; L1861-L1866 PolarHBondContact O-N 3.29Å |
| 1862 | W | 83.2 | Confident | 78.4 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 6% | 0.064 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -62.7 | -54.6 | -179.6 | -176.8 | -103.3 | 0 | 0 | 0 | 111.3 | F1819 F1858 L1859 L1866 V1867 L1900 I1903 | F1819-W1862 HydrophobicContact CE2-CE3 4.39Å; F1819-W1862 AromaticContact CE2-CZ3 3.88Å; F1819-W1862 HydrophobicContact CE2-CZ3 3.88Å; F1819-W1862 AromaticContact CZ-CE3 3.9Å; F1819-W1862 HydrophobicContact CZ-CE3 3.9Å; F1819-W1862 AromaticContact CZ-CZ3 3.74Å; F1819-W1862 HydrophobicContact CZ-CZ3 3.74Å; F1858-W1862 HydrophobicContact CE1-CB 4.39Å; F1858-W1862 HydrophobicContact CZ-CE3 4.35Å; F1858-W1862 VanDerWaalsContact O-CB 3.27Å; F1858-W1862 WeakPolarHBondContact O-CB 3.48Å; F1858-W1862 PolarHBondContact O-N 3.15Å; L1859-W1862 PolarHBondContact O-N 2.87Å; W1862-L1866 HydrophobicContact CE3-CB 4.26Å; W1862-L1866 HydrophobicContact CE3-CD1 3.93Å; W1862-V1867 HydrophobicContact CD2-CG2 4.13Å; W1862-V1867 HydrophobicContact CG-CG2 4.27Å; W1862-V1867 HydrophobicContact CZ2-CG2 4.17Å; W1862-V1867 VanDerWaalsContact O-CB 3.29Å; W1862-V1867 WeakPolarHBondContact O-CB 3.49Å; W1862-V1867 VanDerWaalsContact O-CG2 3.3Å; W1862-V1867 WeakPolarHBondContact O-CG2 3.43Å; W1862-V1867 PolarHBondContact O-N 3.27Å; W1862-L1900 HydrophobicContact CZ2-CD1 4.1Å; W1862-I1903 HydrophobicContact CH2-CD1 3.7Å; W1862-I1903 HydrophobicContact CZ2-CD1 4.28Å; W1862-I1903 HydrophobicContact CZ3-CD1 3.86Å |
| 1863 | N | 78 | Confident | 77.6 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -71.8 | -38.2 | -173.5 | -73.3 | -72.3 | 0 | 0 | 0 | 113.5 | L1859 P1868 S1919 | L1859-N1863 WeakPolarHBondContact O-CB 3.24Å; L1859-N1863 PolarHBondContact O-N 3.2Å; L1859-N1863 PolarHBondContact O-ND2 3.46Å; N1863-P1868 WeakPolarHBondContact O-CD 3.25Å; N1863-S1919 PolarHBondContact OD1-O 3.15Å |
| 1864 | N | 76.5 | Confident | 76.5 | Confident | 102 Ų | 102 | 39.1 Ų | 39.1 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -101.7 | -20.3 | -169 | -52.2 | -55.6 | 0 | 0 | 0 | 114 | D1860 | D1860-N1864 WeakPolarHBondContact CA-ND2 3.33Å; D1860-N1864 VanDerWaalsContact O-CB 3.22Å; D1860-N1864 WeakPolarHBondContact O-CB 3.04Å; D1860-N1864 PolarHBondContact O-N 3.16Å; D1860-N1864 PolarHBondContact O-ND2 3.26Å; D1860-N1864 PolarHBondContact OD1-ND2 3.46Å |
| 1865 | M | 75.8 | Confident | 75 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -118.1 | -61.2 | 179.7 | -71.2 | -72.2 | -70.3 | 0 | 0 | 112.6 | F1236 L1861 P1868 I1869 | F1236-M1865 HydrophobicContact CB-CE 4.23Å; F1236-M1865 HydrophobicContact CD1-CE 4.43Å; F1236-M1865 HydrophobicContact CD2-CE 4.22Å; F1236-M1865 HydrophobicContact CG-CE 4.03Å; L1861-M1865 HydrophobicContact CD1-CB 4.19Å; L1861-M1865 WeakPolarHBondContact O-CB 3.38Å; L1861-M1865 PolarHBondContact O-N 3.07Å; L1861-M1865 VanDerWaalsContact O-N 3.12Å; M1865-P1868 WeakPolarHBondContact O-CD 3.43Å; M1865-I1869 HydrophobicContact CE-CD1 4.38Å; M1865-I1869 WeakPolarHBondContact O-CD1 3.36Å; M1865-I1869 VanDerWaalsContact O-CG1 3.25Å; M1865-I1869 WeakPolarHBondContact O-CG1 3.48Å; M1865-I1869 PolarHBondContact O-N 2.87Å; M1865-I1869 VanDerWaalsContact O-N 3.13Å |
| 1866 | L | 79.8 | Confident | 73.4 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -67.4 | -50.7 | -169.6 | -64.8 | 172.4 | 0 | 0 | 0 | 112.3 | F1819 L1823 F1844 L1861 W1862 I1869 L1870 | F1819-L1866 HydrophobicContact CE1-CD1 3.98Å; F1819-L1866 HydrophobicContact CZ-CD1 3.88Å; L1823-L1866 HydrophobicContact CD1-CD1 3.93Å; L1823-L1866 HydrophobicContact CD1-CD2 3.83Å; F1844-L1866 HydrophobicContact CZ-CD1 4.41Å; L1861-L1866 HydrophobicContact CD1-CG 4.44Å; L1861-L1866 HydrophobicContact CD2-CD1 4.11Å; L1861-L1866 HydrophobicContact CG-CD1 3.87Å; L1861-L1866 HydrophobicContact CG-CG 4.12Å; L1861-L1866 PolarHBondContact O-N 3.29Å; W1862-L1866 HydrophobicContact CE3-CB 4.26Å; W1862-L1866 HydrophobicContact CE3-CD1 3.93Å; L1866-I1869 PolarHBondContact O-N 3.46Å; L1866-L1870 WeakPolarHBondContact O-CB 3.09Å; L1866-L1870 VanDerWaalsContact O-CG 3.28Å; L1866-L1870 WeakPolarHBondContact O-CG 3.4Å; L1866-L1870 PolarHBondContact O-N 3.28Å |
| 1867 | V | 76.7 | Confident | 72 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 178 | 162.7 | 0 | 0 | 0 | 0 | 111.4 | W1862 I1869 L1870 F1871 P1923 I1925 | W1862-V1867 HydrophobicContact CD2-CG2 4.13Å; W1862-V1867 HydrophobicContact CG-CG2 4.27Å; W1862-V1867 HydrophobicContact CZ2-CG2 4.17Å; W1862-V1867 VanDerWaalsContact O-CB 3.29Å; W1862-V1867 WeakPolarHBondContact O-CB 3.49Å; W1862-V1867 VanDerWaalsContact O-CG2 3.3Å; W1862-V1867 WeakPolarHBondContact O-CG2 3.43Å; W1862-V1867 PolarHBondContact O-N 3.27Å; V1867-I1869 PolarHBondContact O-N 3.01Å; V1867-L1870 PolarHBondContact O-N 3.49Å; V1867-F1871 HydrophobicContact CG1-CD2 3.82Å; V1867-F1871 HydrophobicContact CG1-CE2 4.07Å; V1867-F1871 WeakPolarHBondContact O-CD2 3.49Å; V1867-F1871 PolarHBondContact O-N 3.14Å; V1867-P1923 HydrophobicContact CG1-CB 3.8Å; V1867-P1923 HydrophobicContact CG2-CB 4.24Å; V1867-I1925 HydrophobicContact CG1-CG1 4.39Å |
| 1868 | P | 70.9 | Confident | 69.8 | Low | 64 Ų | 64 | 49 Ų | 49 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.4 | -38.4 | 176.7 | -30.1 | 38 | 0 | 0 | 0 | 115 | N1863 M1865 K1872 | N1863-P1868 WeakPolarHBondContact O-CD 3.25Å; M1865-P1868 WeakPolarHBondContact O-CD 3.43Å; P1868-K1872 WeakPolarHBondContact O-CB 3.27Å; P1868-K1872 PolarHBondContact O-N 2.86Å |
| 1869 | I | 68.6 | Low | 67.8 | Low | 40 Ų | 40 | 53.1 Ų | 53.1 | 21% | 0.205 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -52.8 | 177.9 | -66.9 | 165.4 | 0 | 0 | 0 | 110.1 | F1839 M1865 L1866 V1867 F1871 K1872 D1873 | F1839-I1869 HydrophobicContact CE1-CG2 3.88Å; F1839-I1869 HydrophobicContact CZ-CG2 4.25Å; M1865-I1869 HydrophobicContact CE-CD1 4.38Å; M1865-I1869 WeakPolarHBondContact O-CD1 3.36Å; M1865-I1869 VanDerWaalsContact O-CG1 3.25Å; M1865-I1869 WeakPolarHBondContact O-CG1 3.48Å; M1865-I1869 PolarHBondContact O-N 2.87Å; M1865-I1869 VanDerWaalsContact O-N 3.13Å; L1866-I1869 PolarHBondContact O-N 3.46Å; V1867-I1869 PolarHBondContact O-N 3.01Å; I1869-F1871 VanDerWaalsContact C-N 3.35Å; I1869-F1871 PolarHBondContact O-N 2.96Å; I1869-K1872 WeakPolarHBondContact O-CB 3.28Å; I1869-K1872 PolarHBondContact O-N 2.89Å; I1869-D1873 WeakPolarHBondContact CG2-OD2 3.47Å; I1869-D1873 PolarHBondContact O-N 3.24Å |
| 1870 | L | 70 | Confident | 65.9 | Low | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54 | -49.9 | 178.9 | -69.2 | 166.9 | 0 | 0 | 0 | 111.1 | L1823 I1826 F1839 L1866 V1867 K1872 D1873 I1874 L1896 | L1823-L1870 HydrophobicContact CD2-CD1 4.35Å; I1826-L1870 HydrophobicContact CD1-CD2 3.89Å; I1826-L1870 HydrophobicContact CG2-CD2 4.37Å; F1839-L1870 HydrophobicContact CZ-CD2 4.1Å; L1866-L1870 WeakPolarHBondContact O-CB 3.09Å; L1866-L1870 VanDerWaalsContact O-CG 3.28Å; L1866-L1870 WeakPolarHBondContact O-CG 3.4Å; L1866-L1870 PolarHBondContact O-N 3.28Å; V1867-L1870 PolarHBondContact O-N 3.49Å; L1870-K1872 VanDerWaalsContact C-N 3.34Å; L1870-K1872 PolarHBondContact O-N 3.03Å; L1870-D1873 PolarHBondContact O-N 2.8Å; L1870-I1874 WeakPolarHBondContact O-CB 3.29Å; L1870-I1874 VanDerWaalsContact O-CD1 3.25Å; L1870-I1874 WeakPolarHBondContact O-CD1 3.37Å; L1870-I1874 WeakPolarHBondContact O-CG1 3.17Å; L1870-I1874 PolarHBondContact O-N 3.41Å; L1870-I1874 VanDerWaalsContact O-N 3.12Å; L1870-L1896 HydrophobicContact CD1-CD2 4.07Å; L1870-L1896 HydrophobicContact CD2-CD2 4.5Å |
| 1871 | F | 65.3 | Low | 63.7 | Low | 68 Ų | 68 | 56.3 Ų | 56.3 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.2 | -27.4 | 177.8 | -81.9 | -78.1 | 0 | 0 | 0 | 114.2 | V1867 I1869 K1875 F1893 I1925 | V1867-F1871 HydrophobicContact CG1-CD2 3.82Å; V1867-F1871 HydrophobicContact CG1-CE2 4.07Å; V1867-F1871 WeakPolarHBondContact O-CD2 3.49Å; V1867-F1871 PolarHBondContact O-N 3.14Å; I1869-F1871 VanDerWaalsContact C-N 3.35Å; I1869-F1871 PolarHBondContact O-N 2.96Å; F1871-K1875 VanDerWaalsContact O-CB 3.31Å; F1871-K1875 WeakPolarHBondContact O-CB 3.09Å; F1871-K1875 PolarHBondContact O-N 2.99Å; F1871-F1893 HydrophobicContact CE1-CE1 4.2Å; F1871-F1893 HydrophobicContact CE1-CZ 4.43Å; F1871-I1925 HydrophobicContact CD1-CD1 4.39Å; F1871-I1925 HydrophobicContact CD2-CD1 3.91Å; F1871-I1925 HydrophobicContact CE1-CD1 4.08Å; F1871-I1925 HydrophobicContact CE2-CD1 3.58Å; F1871-I1925 HydrophobicContact CG-CD1 4.31Å; F1871-I1925 HydrophobicContact CZ-CD1 3.67Å |
| 1872 | K | 64.8 | Low | 61.1 | Low | 91 Ų | 91 | 63.2 Ų | 63.2 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.7 | -44.9 | 174.9 | -179.8 | -170.2 | 175.9 | -163.3 | 0 | 111.4 | P1868 I1869 L1870 K1875 N1876 | P1868-K1872 WeakPolarHBondContact O-CB 3.27Å; P1868-K1872 PolarHBondContact O-N 2.86Å; I1869-K1872 WeakPolarHBondContact O-CB 3.28Å; I1869-K1872 PolarHBondContact O-N 2.89Å; L1870-K1872 VanDerWaalsContact C-N 3.34Å; L1870-K1872 PolarHBondContact O-N 3.03Å; K1872-K1875 WeakPolarHBondContact O-CB 3.45Å; K1872-K1875 PolarHBondContact O-N 2.71Å; K1872-N1876 PolarHBondContact O-N 3.45Å; K1872-N1876 PolarHBondContact O-ND2 3.23Å |
| 1873 | D | 57.8 | Low | 59 | Low | 60 Ų | 60 | 68.3 Ų | 68.3 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73 | -36.1 | -177.2 | -62.5 | -31 | 0 | 0 | 0 | 111.4 | I1869 L1870 K1875 N1876 I1877 | I1869-D1873 WeakPolarHBondContact CG2-OD2 3.47Å; I1869-D1873 PolarHBondContact O-N 3.24Å; L1870-D1873 PolarHBondContact O-N 2.8Å; D1873-K1875 VanDerWaalsContact C-N 3.33Å; D1873-K1875 PolarHBondContact O-N 3.25Å; D1873-N1876 WeakPolarHBondContact O-CB 3.37Å; D1873-N1876 PolarHBondContact O-N 3.22Å; D1873-I1877 WeakPolarHBondContact O-CG1 3.11Å; D1873-I1877 PolarHBondContact O-N 3.1Å; D1873-I1877 VanDerWaalsContact O-N 3.09Å |
| 1874 | I | 56.7 | Low | 57 | Low | 16 Ų | 16 | 72.7 Ų | 72.7 | 8% | 0.082 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 168.1 | -64.8 | 167.6 | 0 | 0 | 0 | 110.8 | L1870 N1876 I1877 T1878 L1889 I1892 L1896 | L1870-I1874 WeakPolarHBondContact O-CB 3.29Å; L1870-I1874 VanDerWaalsContact O-CD1 3.25Å; L1870-I1874 WeakPolarHBondContact O-CD1 3.37Å; L1870-I1874 WeakPolarHBondContact O-CG1 3.17Å; L1870-I1874 PolarHBondContact O-N 3.41Å; L1870-I1874 VanDerWaalsContact O-N 3.12Å; I1874-N1876 VanDerWaalsContact C-N 3.33Å; I1874-N1876 PolarHBondContact O-N 3.23Å; I1874-I1877 PolarHBondContact O-N 2.79Å; I1874-T1878 PolarHBondContact O-N 2.85Å; I1874-L1889 HydrophobicContact CG2-CD2 4.04Å; I1874-I1892 HydrophobicContact CB-CG2 4.4Å; I1874-I1892 HydrophobicContact CD1-CG2 3.3Å; I1874-I1892 HydrophobicContact CG1-CD1 4.36Å; I1874-I1892 HydrophobicContact CG1-CG2 3.46Å; I1874-I1892 VanDerWaalsContact CG1-CG2 3.46Å; I1874-I1892 HydrophobicContact CG2-CD1 4.32Å; I1874-I1892 HydrophobicContact CG2-CG2 4.06Å; I1874-L1896 HydrophobicContact CD1-CD1 3.55Å; I1874-L1896 HydrophobicContact CD1-CG 4.44Å |
| 1875 | K | 54.2 | Low | 55.1 | Low | 136 Ų | 136 | 75.2 Ų | 75.2 | 59% | 0.591 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 176.1 | -175.2 | 178.7 | 179.9 | -178.6 | 0 | 111.9 | F1871 K1872 D1873 I1877 T1878 | F1871-K1875 VanDerWaalsContact O-CB 3.31Å; F1871-K1875 WeakPolarHBondContact O-CB 3.09Å; F1871-K1875 PolarHBondContact O-N 2.99Å; K1872-K1875 WeakPolarHBondContact O-CB 3.45Å; K1872-K1875 PolarHBondContact O-N 2.71Å; D1873-K1875 VanDerWaalsContact C-N 3.33Å; D1873-K1875 PolarHBondContact O-N 3.25Å; K1875-I1877 PolarHBondContact O-N 3.37Å; K1875-T1878 PolarHBondContact O-N 3.37Å; K1875-T1878 PolarHBondContact O-OG1 3.1Å |
| 1876 | N | 49.6 | Very low | 53.3 | Low | 71 Ų | 71 | 80.4 Ų | 80.4 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 175.8 | -68.5 | -29.6 | 0 | 0 | 0 | 111.1 | K1872 D1873 I1874 T1878 T1879 S1880 | K1872-N1876 PolarHBondContact O-N 3.45Å; K1872-N1876 PolarHBondContact O-ND2 3.23Å; D1873-N1876 WeakPolarHBondContact O-CB 3.37Å; D1873-N1876 PolarHBondContact O-N 3.22Å; I1874-N1876 VanDerWaalsContact C-N 3.33Å; I1874-N1876 PolarHBondContact O-N 3.23Å; N1876-T1878 VanDerWaalsContact C-N 3.27Å; N1876-T1878 PolarHBondContact O-N 3.24Å; N1876-T1879 PolarHBondContact O-N 3.24Å; N1876-T1879 PolarHBondContact O-OG1 3.44Å; N1876-S1880 PolarHBondContact O-N 3.24Å |
| 1877 | I | 53 | Low | 51.4 | Low | 47 Ų | 47 | 87.2 Ų | 87.2 | 24% | 0.241 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -54.3 | -40.7 | 176.3 | -65.7 | 165.7 | 0 | 0 | 0 | 111.5 | D1873 I1874 K1875 T1879 I1892 | D1873-I1877 WeakPolarHBondContact O-CG1 3.11Å; D1873-I1877 PolarHBondContact O-N 3.1Å; D1873-I1877 VanDerWaalsContact O-N 3.09Å; I1874-I1877 PolarHBondContact O-N 2.79Å; K1875-I1877 PolarHBondContact O-N 3.37Å; I1877-T1879 PolarHBondContact O-N 3.48Å; I1877-T1879 VanDerWaalsContact O-N 3.15Å; I1877-I1892 HydrophobicContact CD1-CD1 4.03Å; I1877-I1892 HydrophobicContact CG2-CD1 4.43Å |
| 1878 | T | 44.6 | Very low | 50.3 | Low | 67 Ų | 67 | 89.1 Ų | 89.1 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.8 | -10.4 | 177.7 | 64.8 | 0 | 0 | 0 | 0 | 115.6 | I1874 K1875 N1876 L1889 | I1874-T1878 PolarHBondContact O-N 2.85Å; K1875-T1878 PolarHBondContact O-N 3.37Å; K1875-T1878 PolarHBondContact O-OG1 3.1Å; N1876-T1878 VanDerWaalsContact C-N 3.27Å; N1876-T1878 PolarHBondContact O-N 3.24Å; T1878-L1889 HydrophobicContact CG2-CD1 3.81Å; T1878-L1889 HydrophobicContact CG2-CD2 3.6Å; T1878-L1889 HydrophobicContact CG2-CG 3.93Å |
| 1879 | T | 45.9 | Very low | 49.2 | Very low | 86 Ų | 86 | 88.6 Ų | 88.6 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -115 | -7 | -172.6 | 62.5 | 0 | 0 | 0 | 0 | 115.3 | N1876 I1877 | N1876-T1879 PolarHBondContact O-N 3.24Å; N1876-T1879 PolarHBondContact O-OG1 3.44Å; I1877-T1879 PolarHBondContact O-N 3.48Å; I1877-T1879 VanDerWaalsContact O-N 3.15Å |
| 1880 | S | 44.1 | Very low | 48.7 | Very low | 100 Ų | 100 | 92 Ų | 92 | 70% | 0.699 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -106 | -9.9 | -179.2 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | N1876 | N1876-S1880 PolarHBondContact O-N 3.24Å |
| 1881 | T | 36.8 | Very low | 48 | Very low | 88 Ų | 88 | 94.1 Ų | 94.1 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -106.2 | 133.2 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1882 | M | 31.9 | Very low | 47.8 | Very low | 156 Ų | 156 | 91 Ų | 91 | 77% | 0.768 | 49% | 0.487 | S | S | * | . | trans | -53.4 | 152.2 | 166.3 | -76.4 | -69 | 178.6 | 0 | 0 | 111.5 | T1884 | M1882-T1884 PolarHBondContact O-N 3.08Š| ||
| 1883 | P | 37.8 | Very low | 47.7 | Very low | 123 Ų | 123 | 90.5 Ų | 90.5 | 80% | 0.799 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 44.2 | -165.5 | 33.1 | -38.6 | 0 | 0 | 0 | 114.7 | ||
| 1884 | T | 35.4 | Very low | 48.2 | Very low | 123 Ų | 123 | 94.1 Ų | 94.1 | 76% | 0.755 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -1.8 | -171.7 | 53.5 | 0 | 0 | 0 | 0 | 115 | M1882 | M1882-T1884 PolarHBondContact O-N 3.08Š|
| 1885 | K | 36.7 | Very low | 48.7 | Very low | 155 Ų | 155 | 95.1 Ų | 95.1 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | trans | -134 | 110.8 | 167.5 | -68.7 | -167.1 | 177 | -171.3 | 0 | 111.5 | ||||
| 1886 | K | 39.5 | Very low | 49.5 | Very low | 166 Ų | 166 | 89.7 Ų | 89.7 | 72% | 0.722 | 48% | 0.482 | S | S | * | . | trans | -86.5 | -11.3 | 176.5 | -69.3 | -176.1 | 177.5 | 179.8 | 0 | 114 | ||||
| 1887 | E | 39.1 | Very low | 50.6 | Low | 149 Ų | 149 | 90.5 Ų | 90.5 | 70% | 0.696 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | -172.9 | -60.9 | 176.2 | 132.2 | 0 | 0 | 116.5 | L1889 N1890 S1891 | E1887-L1889 PolarHBondContact O-N 2.7Å; E1887-N1890 PolarHBondContact O-N 3.15Å; E1887-S1891 PolarHBondContact O-N 2.9Å |
| 1888 | P | 52.8 | Low | 51.6 | Low | 52 Ų | 52 | 92.8 Ų | 92.8 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -34.6 | -168 | 24.4 | -33.4 | 0 | 0 | 0 | 113.2 | N1890 S1891 I1892 | P1888-N1890 VanDerWaalsContact C-N 3.27Å; P1888-N1890 PolarHBondContact O-N 2.81Å; P1888-S1891 PolarHBondContact O-N 3.3Å; P1888-S1891 PolarHBondContact O-OG 3.4Å; P1888-I1892 VanDerWaalsContact O-CG1 3.29Å; P1888-I1892 WeakPolarHBondContact O-CG1 3.12Å; P1888-I1892 PolarHBondContact O-N 2.93Å |
| 1889 | L | 49.3 | Very low | 53.1 | Low | 53 Ų | 53 | 90.2 Ų | 90.2 | 28% | 0.277 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | 177.2 | -90.1 | 175.9 | 0 | 0 | 0 | 112.7 | I1874 T1878 E1887 I1892 F1893 | I1874-L1889 HydrophobicContact CG2-CD2 4.04Å; T1878-L1889 HydrophobicContact CG2-CD1 3.81Å; T1878-L1889 HydrophobicContact CG2-CD2 3.6Å; T1878-L1889 HydrophobicContact CG2-CG 3.93Å; E1887-L1889 PolarHBondContact O-N 2.7Å; L1889-I1892 PolarHBondContact O-N 3.04Å; L1889-F1893 HydrophobicContact CD2-CE2 4.26Å; L1889-F1893 WeakPolarHBondContact O-CD2 3.42Å; L1889-F1893 PolarHBondContact O-N 3.11Å |
| 1890 | N | 57.4 | Low | 54.6 | Low | 111 Ų | 111 | 88.1 Ų | 88.1 | 59% | 0.594 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -72.6 | -31.3 | 179.7 | -76.5 | -4.5 | 0 | 0 | 0 | 112.2 | E1887 P1888 K1894 | E1887-N1890 PolarHBondContact O-N 3.15Å; P1888-N1890 VanDerWaalsContact C-N 3.27Å; P1888-N1890 PolarHBondContact O-N 2.81Å; N1890-K1894 VanDerWaalsContact O-CB 3.26Å; N1890-K1894 WeakPolarHBondContact O-CB 3.5Å; N1890-K1894 PolarHBondContact O-N 3.38Å |
| 1891 | S | 55.9 | Low | 56.1 | Low | 59 Ų | 59 | 84.5 Ų | 84.5 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 172 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | E1887 P1888 K1894 T1895 | E1887-S1891 PolarHBondContact O-N 2.9Å; P1888-S1891 PolarHBondContact O-N 3.3Å; P1888-S1891 PolarHBondContact O-OG 3.4Å; S1891-K1894 PolarHBondContact O-N 2.78Å; S1891-T1895 PolarHBondContact O-N 3.14Å; S1891-T1895 PolarHBondContact O-OG1 2.96Å; S1891-T1895 VanDerWaalsContact O-OG1 3.1Å |
| 1892 | I | 59.7 | Low | 58.4 | Low | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -55.1 | -56.3 | 173.5 | -66.6 | 174.8 | 0 | 0 | 0 | 111.3 | L1830 I1874 I1877 P1888 L1889 K1894 T1895 L1896 | L1830-I1892 HydrophobicContact CD1-CD1 4.38Å; L1830-I1892 HydrophobicContact CD1-CG1 3.76Å; L1830-I1892 HydrophobicContact CD1-CG2 4.47Å; L1830-I1892 HydrophobicContact CD2-CD1 4.38Å; L1830-I1892 HydrophobicContact CD2-CG1 3.48Å; L1830-I1892 VanDerWaalsContact CD2-CG1 3.48Å; L1830-I1892 HydrophobicContact CG-CG1 4.25Å; I1874-I1892 HydrophobicContact CB-CG2 4.4Å; I1874-I1892 HydrophobicContact CD1-CG2 3.3Å; I1874-I1892 HydrophobicContact CG1-CD1 4.36Å; I1874-I1892 HydrophobicContact CG1-CG2 3.46Å; I1874-I1892 VanDerWaalsContact CG1-CG2 3.46Å; I1874-I1892 HydrophobicContact CG2-CD1 4.32Å; I1874-I1892 HydrophobicContact CG2-CG2 4.06Å; I1877-I1892 HydrophobicContact CD1-CD1 4.03Å; I1877-I1892 HydrophobicContact CG2-CD1 4.43Å; P1888-I1892 VanDerWaalsContact O-CG1 3.29Å; P1888-I1892 WeakPolarHBondContact O-CG1 3.12Å; P1888-I1892 PolarHBondContact O-N 2.93Å; L1889-I1892 PolarHBondContact O-N 3.04Å; I1892-K1894 VanDerWaalsContact C-N 3.26Å; I1892-K1894 PolarHBondContact O-N 3.28Å; I1892-T1895 PolarHBondContact O-N 2.83Å; I1892-T1895 VanDerWaalsContact O-N 3.14Å; I1892-L1896 PolarHBondContact O-N 3.48Å |
| 1893 | F | 64 | Low | 60.8 | Low | 81 Ų | 81 | 75.1 Ų | 75.1 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -34.5 | -178.7 | -86.4 | -71.6 | 0 | 0 | 0 | 111.8 | F1871 L1889 N1897 | F1871-F1893 HydrophobicContact CE1-CE1 4.2Å; F1871-F1893 HydrophobicContact CE1-CZ 4.43Å; L1889-F1893 HydrophobicContact CD2-CE2 4.26Å; L1889-F1893 WeakPolarHBondContact O-CD2 3.42Å; L1889-F1893 PolarHBondContact O-N 3.11Å; F1893-N1897 VanDerWaalsContact O-CB 3.29Å; F1893-N1897 WeakPolarHBondContact O-CB 3.03Å; F1893-N1897 PolarHBondContact O-N 3.14Å; F1893-N1897 PolarHBondContact O-ND2 2.95Å |
| 1894 | K | 67.8 | Low | 62.7 | Low | 136 Ų | 136 | 71.9 Ų | 71.9 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 172.5 | -170.2 | 177.6 | -177.5 | -176.3 | 0 | 111.9 | N1890 S1891 I1892 N1897 N1898 | N1890-K1894 VanDerWaalsContact O-CB 3.26Å; N1890-K1894 WeakPolarHBondContact O-CB 3.5Å; N1890-K1894 PolarHBondContact O-N 3.38Å; S1891-K1894 PolarHBondContact O-N 2.78Å; I1892-K1894 VanDerWaalsContact C-N 3.26Å; I1892-K1894 PolarHBondContact O-N 3.28Å; K1894-N1897 PolarHBondContact O-N 3.31Å; K1894-N1898 WeakPolarHBondContact O-CB 3.13Å; K1894-N1898 PolarHBondContact O-N 2.87Å; K1894-N1898 PolarHBondContact O-OD1 3.32Å |
| 1895 | T | 67.5 | Low | 64.8 | Low | 36 Ų | 36 | 71.4 Ų | 71.4 | 22% | 0.221 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178 | -59.2 | 0 | 0 | 0 | 0 | 112 | I1826 S1891 I1892 N1898 I1899 | I1826-T1895 HydrophobicContact CG1-CG2 4.18Å; S1891-T1895 PolarHBondContact O-N 3.14Å; S1891-T1895 PolarHBondContact O-OG1 2.96Å; S1891-T1895 VanDerWaalsContact O-OG1 3.1Å; I1892-T1895 PolarHBondContact O-N 2.83Å; I1892-T1895 VanDerWaalsContact O-N 3.14Å; T1895-N1898 PolarHBondContact O-N 3.27Å; T1895-I1899 HydrophobicContact CG2-CD1 4.31Å; T1895-I1899 PolarHBondContact O-N 3.29Å |
| 1896 | L | 70.3 | Confident | 66.9 | Low | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 172.5 | -76 | -177.9 | 0 | 0 | 0 | 112.2 | I1826 L1870 I1874 I1892 N1898 I1899 L1900 | I1826-L1896 HydrophobicContact CD1-CD2 4.23Å; L1870-L1896 HydrophobicContact CD1-CD2 4.07Å; L1870-L1896 HydrophobicContact CD2-CD2 4.5Å; I1874-L1896 HydrophobicContact CD1-CD1 3.55Å; I1874-L1896 HydrophobicContact CD1-CG 4.44Å; I1892-L1896 PolarHBondContact O-N 3.48Å; L1896-N1898 VanDerWaalsContact C-N 3.35Å; L1896-I1899 PolarHBondContact O-N 3.15Å; L1896-L1900 WeakPolarHBondContact O-CB 3.16Å; L1896-L1900 PolarHBondContact O-N 3.06Å |
| 1897 | N | 73.1 | Confident | 68.9 | Low | 89 Ų | 89 | 59.3 Ų | 59.3 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 177.9 | -71.5 | -11.3 | 0 | 0 | 0 | 112.2 | F1893 K1894 L1900 G1901 | F1893-N1897 VanDerWaalsContact O-CB 3.29Å; F1893-N1897 WeakPolarHBondContact O-CB 3.03Å; F1893-N1897 PolarHBondContact O-N 3.14Å; F1893-N1897 PolarHBondContact O-ND2 2.95Å; K1894-N1897 PolarHBondContact O-N 3.31Å; N1897-L1900 PolarHBondContact O-N 3.37Å; N1897-G1901 PolarHBondContact O-N 2.82Å |
| 1898 | N | 74.5 | Confident | 70.8 | Confident | 94 Ų | 94 | 52.5 Ų | 52.5 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 173.2 | -71.4 | -5.4 | 0 | 0 | 0 | 111.2 | K1894 T1895 L1896 G1901 W1902 | K1894-N1898 WeakPolarHBondContact O-CB 3.13Å; K1894-N1898 PolarHBondContact O-N 2.87Å; K1894-N1898 PolarHBondContact O-OD1 3.32Å; T1895-N1898 PolarHBondContact O-N 3.27Å; L1896-N1898 VanDerWaalsContact C-N 3.35Å; N1898-G1901 PolarHBondContact O-N 3.38Å; N1898-W1902 PolarHBondContact O-N 3.42Å |
| 1899 | I | 75.7 | Confident | 72 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.3 | -38.8 | 179.2 | -72.1 | 170.3 | 0 | 0 | 0 | 111 | Q1822 I1826 T1895 L1896 G1901 W1902 I1903 | Q1822-I1899 HydrophobicContact CB-CD1 4.25Å; Q1822-I1899 HydrophobicContact CB-CG1 4.37Å; Q1822-I1899 WeakPolarHBondContact O-CD1 3.28Å; I1826-I1899 HydrophobicContact CD1-CD1 3.52Å; I1826-I1899 HydrophobicContact CG1-CD1 3.32Å; T1895-I1899 HydrophobicContact CG2-CD1 4.31Å; T1895-I1899 PolarHBondContact O-N 3.29Å; L1896-I1899 PolarHBondContact O-N 3.15Å; I1899-G1901 VanDerWaalsContact C-N 3.29Å; I1899-G1901 PolarHBondContact O-N 3.26Å; I1899-W1902 PolarHBondContact O-N 3.13Å; I1899-I1903 HydrophobicContact CG2-CD1 4.07Å; I1899-I1903 HydrophobicContact CG2-CG1 4.48Å; I1899-I1903 VanDerWaalsContact O-CG1 3.22Å; I1899-I1903 WeakPolarHBondContact O-CG1 3.25Å; I1899-I1903 PolarHBondContact O-N 3.14Å |
| 1900 | L | 77.4 | Confident | 72.8 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 171.5 | -166.5 | 66.9 | 0 | 0 | 0 | 111.4 | W1862 L1896 N1897 I1903 T1904 I1920 | W1862-L1900 HydrophobicContact CZ2-CD1 4.1Å; L1896-L1900 WeakPolarHBondContact O-CB 3.16Å; L1896-L1900 PolarHBondContact O-N 3.06Å; N1897-L1900 PolarHBondContact O-N 3.37Å; L1900-I1903 PolarHBondContact O-N 3.27Å; L1900-T1904 WeakPolarHBondContact O-CG2 3.27Å; L1900-T1904 PolarHBondContact O-N 3.12Å; L1900-T1904 PolarHBondContact O-OG1 2.94Å; L1900-I1920 HydrophobicContact CD1-CG2 3.61Å |
| 1901 | G | 75.7 | Confident | 72.5 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 24% | 0.237 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1897 N1898 I1899 I1903 T1904 I1905 | N1897-G1901 PolarHBondContact O-N 2.82Å; N1898-G1901 PolarHBondContact O-N 3.38Å; I1899-G1901 VanDerWaalsContact C-N 3.29Å; I1899-G1901 PolarHBondContact O-N 3.26Å; G1901-I1903 PolarHBondContact O-N 3.5Å; G1901-T1904 WeakPolarHBondContact CA-OG1 3.49Å; G1901-T1904 PolarHBondContact O-N 3.36Å; G1901-T1904 VanDerWaalsContact O-N 3.13Å; G1901-T1904 PolarHBondContact O-OG1 3.07Å; G1901-I1905 WeakPolarHBondContact O-CD1 3.47Å; G1901-I1905 VanDerWaalsContact O-CG1 3.27Å; G1901-I1905 WeakPolarHBondContact O-CG1 3.5Å; G1901-I1905 PolarHBondContact O-N 3.48Å |
| 1902 | W | 84.4 | Confident | 72 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.7 | -178.2 | 88.8 | 0 | 0 | 0 | 112 | W1815 E1818 F1819 Q1822 N1898 I1899 T1904 I1905 T1906 | W1815-W1902 AromaticContact CD1-CH2 3.56Å; W1815-W1902 HydrophobicContact CD2-CH2 4.35Å; W1815-W1902 AromaticContact CE2-CH2 3.75Å; W1815-W1902 AromaticContact CE2-CZ3 3.59Å; W1815-W1902 HydrophobicContact CG-CH2 4.25Å; W1815-W1902 HydrophobicContact CZ2-CH2 4.37Å; W1815-W1902 AromaticContact CZ2-CZ3 3.74Å; W1815-W1902 HydrophobicContact CZ2-CZ3 3.74Å; W1815-W1902 AromaticContact NE1-CH2 3.2Å; W1815-W1902 AromaticContact NE1-CZ2 3.95Å; W1815-W1902 AromaticContact NE1-CZ3 3.35Å; W1815-W1902 VanDerWaalsContact NE1-CZ3 3.35Å; E1818-W1902 HydrophobicContact CB-CH2 4.01Å; E1818-W1902 HydrophobicContact CB-CZ2 3.97Å; F1819-W1902 HydrophobicContact CB-CH2 4.08Å; F1819-W1902 HydrophobicContact CB-CZ3 3.82Å; F1819-W1902 HydrophobicContact CD2-CZ3 4.11Å; F1819-W1902 HydrophobicContact CG-CZ3 4.46Å; Q1822-W1902 VanDerWaalsContact NE2-CD1 3.32Å; Q1822-W1902 VanDerWaalsContact NE2-CD2 3.26Å; Q1822-W1902 VanDerWaalsContact OE1-CD2 3.26Å; N1898-W1902 PolarHBondContact O-N 3.42Å; I1899-W1902 PolarHBondContact O-N 3.13Å; W1902-T1904 VanDerWaalsContact C-N 3.33Å; W1902-T1904 PolarHBondContact O-N 2.85Å; W1902-I1905 PolarHBondContact O-N 3.05Å; W1902-I1905 VanDerWaalsContact O-N 3.15Å; W1902-T1906 HydrophobicContact CD2-CG2 4.14Å; W1902-T1906 HydrophobicContact CG-CG2 4.23Å; W1902-T1906 HydrophobicContact CZ2-CG2 4.13Å; W1902-T1906 WeakPolarHBondContact O-CB 3.32Å; W1902-T1906 PolarHBondContact O-N 3.26Å; W1902-T1906 PolarHBondContact O-OG1 3.29Å |
| 1903 | I | 82.8 | Confident | 71.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | 174.3 | -65.3 | 162.8 | 0 | 0 | 0 | 110.9 | W1815 F1819 W1862 I1899 L1900 G1901 I1905 W1907 F1916 | W1815-I1903 HydrophobicContact CZ2-CB 4.48Å; W1815-I1903 HydrophobicContact CZ2-CG1 4.21Å; W1815-I1903 HydrophobicContact CZ2-CG2 4.2Å; F1819-I1903 HydrophobicContact CD2-CD1 4.3Å; F1819-I1903 HydrophobicContact CD2-CG1 4.17Å; F1819-I1903 HydrophobicContact CE2-CD1 3.74Å; F1819-I1903 HydrophobicContact CE2-CG1 4.12Å; W1862-I1903 HydrophobicContact CH2-CD1 3.7Å; W1862-I1903 HydrophobicContact CZ2-CD1 4.28Å; W1862-I1903 HydrophobicContact CZ3-CD1 3.86Å; I1899-I1903 HydrophobicContact CG2-CD1 4.07Å; I1899-I1903 HydrophobicContact CG2-CG1 4.48Å; I1899-I1903 VanDerWaalsContact O-CG1 3.22Å; I1899-I1903 WeakPolarHBondContact O-CG1 3.25Å; I1899-I1903 PolarHBondContact O-N 3.14Å; L1900-I1903 PolarHBondContact O-N 3.27Å; G1901-I1903 PolarHBondContact O-N 3.5Å; I1903-I1905 VanDerWaalsContact C-N 3.34Å; I1903-I1905 PolarHBondContact O-N 2.92Å; I1903-W1907 HydrophobicContact CG2-CE3 3.74Å; I1903-W1907 HydrophobicContact CG2-CZ3 3.74Å; I1903-W1907 WeakPolarHBondContact O-CB 3.49Å; I1903-W1907 PolarHBondContact O-N 3.45Å; I1903-F1916 HydrophobicContact CG2-CE2 4.2Å; I1903-F1916 HydrophobicContact CG2-CZ 4.23Å |
| 1904 | T | 77.3 | Confident | 70.8 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69 | -28.4 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 114 | L1900 G1901 W1902 F1916 | L1900-T1904 WeakPolarHBondContact O-CG2 3.27Å; L1900-T1904 PolarHBondContact O-N 3.12Å; L1900-T1904 PolarHBondContact O-OG1 2.94Å; G1901-T1904 WeakPolarHBondContact CA-OG1 3.49Å; G1901-T1904 PolarHBondContact O-N 3.36Å; G1901-T1904 VanDerWaalsContact O-N 3.13Å; G1901-T1904 PolarHBondContact O-OG1 3.07Å; W1902-T1904 VanDerWaalsContact C-N 3.33Å; W1902-T1904 PolarHBondContact O-N 2.85Å; T1904-F1916 HydrophobicContact CG2-CD1 4.42Å; T1904-F1916 HydrophobicContact CG2-CD2 4.46Å; T1904-F1916 HydrophobicContact CG2-CE1 3.74Å; T1904-F1916 HydrophobicContact CG2-CE2 3.79Å; T1904-F1916 HydrophobicContact CG2-CZ 3.38Å |
| 1905 | I | 80 | Confident | 70.1 | Confident | 113 Ų | 113 | 57.2 Ų | 57.2 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -86.6 | -35.6 | -177.6 | -69.1 | 163.9 | 0 | 0 | 0 | 111.9 | G1901 W1902 I1903 | G1901-I1905 WeakPolarHBondContact O-CD1 3.47Å; G1901-I1905 VanDerWaalsContact O-CG1 3.27Å; G1901-I1905 WeakPolarHBondContact O-CG1 3.5Å; G1901-I1905 PolarHBondContact O-N 3.48Å; W1902-I1905 PolarHBondContact O-N 3.05Å; W1902-I1905 VanDerWaalsContact O-N 3.15Å; I1903-I1905 VanDerWaalsContact C-N 3.34Å; I1903-I1905 PolarHBondContact O-N 2.92Å |
| 1906 | T | 81.5 | Confident | 69.6 | Low | 42 Ų | 42 | 57.8 Ų | 57.8 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -104 | 7.6 | -172.4 | 61 | 0 | 0 | 0 | 0 | 114.4 | W1815 W1902 P1908 | W1815-T1906 VanDerWaalsContact CD1-O 3.23Å; W1815-T1906 PolarHBondContact NE1-O 3.06Å; W1815-T1906 PolarHBondContact NE1-OG1 3.47Å; W1902-T1906 HydrophobicContact CD2-CG2 4.14Å; W1902-T1906 HydrophobicContact CG-CG2 4.23Å; W1902-T1906 HydrophobicContact CZ2-CG2 4.13Å; W1902-T1906 WeakPolarHBondContact O-CB 3.32Å; W1902-T1906 PolarHBondContact O-N 3.26Å; W1902-T1906 PolarHBondContact O-OG1 3.29Å; T1906-P1908 VanDerWaalsContact O-N 3.15Å |
| 1907 | W | 80.5 | Confident | 69.1 | Low | 26 Ų | 26 | 57.6 Ų | 57.6 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | trans | -44.1 | 113.3 | -174.3 | -166.8 | -114.3 | 0 | 0 | 0 | 113.1 | L1855 F1858 I1903 W1909 F1916 P1917 I1920 | L1855-W1907 HydrophobicContact CD1-CH2 3.76Å; L1855-W1907 HydrophobicContact CD1-CZ2 3.46Å; L1855-W1907 VanDerWaalsContact CD1-CZ2 3.46Å; F1858-W1907 HydrophobicContact CD1-CH2 4.24Å; F1858-W1907 HydrophobicContact CD1-CZ3 4.38Å; F1858-W1907 HydrophobicContact CE1-CH2 4.3Å; F1858-W1907 HydrophobicContact CE1-CZ3 4.04Å; I1903-W1907 HydrophobicContact CG2-CE3 3.74Å; I1903-W1907 HydrophobicContact CG2-CZ3 3.74Å; I1903-W1907 WeakPolarHBondContact O-CB 3.49Å; I1903-W1907 PolarHBondContact O-N 3.45Å; W1907-W1909 AromaticContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CZ3 4.32Å; W1907-W1909 AromaticContact CE2-CE3 3.59Å; W1907-W1909 AromaticContact CE3-CE3 3.99Å; W1907-W1909 HydrophobicContact CE3-CE3 3.99Å; W1907-W1909 AromaticContact CE3-CZ3 3.97Å; W1907-W1909 HydrophobicContact CE3-CZ3 3.97Å; W1907-W1909 AromaticContact CH2-CE3 3.63Å; W1907-W1909 HydrophobicContact CH2-CE3 3.63Å; W1907-W1909 AromaticContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CZ2-CD2 4.4Å; W1907-W1909 AromaticContact CZ2-CE3 3.51Å; W1907-W1909 HydrophobicContact CZ2-CE3 3.51Å; W1907-W1909 AromaticContact CZ2-CZ3 3.94Å; W1907-W1909 HydrophobicContact CZ2-CZ3 3.94Å; W1907-W1909 AromaticContact CZ3-CE3 3.88Å; W1907-W1909 HydrophobicContact CZ3-CE3 3.88Å; W1907-W1909 AromaticContact CZ3-CZ3 3.56Å; W1907-W1909 HydrophobicContact CZ3-CZ3 3.56Å; W1907-W1909 PolarHBondContact O-N 3.05Å; W1907-F1916 AromaticContact CD2-CD2 3.7Å; W1907-F1916 HydrophobicContact CD2-CD2 3.7Å; W1907-F1916 AromaticContact CD2-CE2 3.7Å; W1907-F1916 HydrophobicContact CD2-CE2 3.7Å; W1907-F1916 AromaticContact CE2-CD2 3.89Å; W1907-F1916 HydrophobicContact CE3-CD2 4.07Å; W1907-F1916 AromaticContact CE3-CE2 3.56Å; W1907-F1916 HydrophobicContact CE3-CE2 3.56Å; W1907-F1916 AromaticContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CE2 4.22Å; W1907-F1916 HydrophobicContact CH2-CE2 4.44Å; W1907-F1916 HydrophobicContact CZ2-CD2 4.4Å; W1907-F1916 AromaticContact CZ3-CE2 3.97Å; W1907-F1916 HydrophobicContact CZ3-CE2 3.97Å; W1907-P1917 HydrophobicContact CZ2-CG 4.22Å; W1907-I1920 HydrophobicContact CH2-CD1 3.33Å; W1907-I1920 HydrophobicContact CZ2-CD1 4.22Å; W1907-I1920 HydrophobicContact CZ3-CD1 3.65Å | ||
| 1908 | P | 79.5 | Confident | 68.4 | Low | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.032 | 33% | 0.332 | C | S | . | . | trans | -82.2 | -15.3 | -168.1 | 33.1 | -38.8 | 0 | 0 | 0 | 113.6 | Q1811 L1812 W1815 T1906 | Q1811-P1908 HydrophobicContact CG-CB 4.39Å; L1812-P1908 HydrophobicContact CD1-CB 4.49Å; L1812-P1908 HydrophobicContact CD1-CG 3.9Å; W1815-P1908 HydrophobicContact CB-CB 3.9Å; W1815-P1908 HydrophobicContact CB-CG 4.02Å; W1815-P1908 HydrophobicContact CD2-CB 4.34Å; W1815-P1908 HydrophobicContact CD2-CG 3.54Å; W1815-P1908 HydrophobicContact CE3-CG 3.68Å; W1815-P1908 HydrophobicContact CG-CB 3.93Å; W1815-P1908 HydrophobicContact CG-CG 3.67Å; W1815-P1908 HydrophobicContact CZ3-CG 4.37Å; T1906-P1908 VanDerWaalsContact O-N 3.15Å | ||
| 1909 | W | 78.8 | Confident | 67.7 | Low | 17 Ų | 17 | 59.1 Ų | 59.1 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -85.2 | 127.1 | 175.1 | -60.1 | -84.7 | 0 | 0 | 0 | 109.8 | L1812 W1815 S1854 L1855 F1858 W1907 P1911 | L1812-W1909 HydrophobicContact CD1-CH2 3.89Å; L1812-W1909 HydrophobicContact CD1-CZ2 3.39Å; W1815-W1909 HydrophobicContact CH2-CZ3 4.3Å; W1815-W1909 HydrophobicContact CZ3-CH2 4.01Å; W1815-W1909 HydrophobicContact CZ3-CZ3 4.02Å; S1854-W1909 PolarHBondContact OG-NE1 2.66Å; L1855-W1909 HydrophobicContact CB-CD2 4.18Å; L1855-W1909 HydrophobicContact CB-CG 4.27Å; L1855-W1909 HydrophobicContact CB-CZ2 4.3Å; L1855-W1909 HydrophobicContact CD1-CD2 4.04Å; L1855-W1909 HydrophobicContact CD1-CE3 4.06Å; L1855-W1909 HydrophobicContact CD1-CZ3 4.35Å; F1858-W1909 HydrophobicContact CB-CH2 3.71Å; F1858-W1909 HydrophobicContact CB-CZ2 4.12Å; F1858-W1909 AromaticContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CZ3 4.21Å; F1858-W1909 HydrophobicContact CD2-CH2 4.17Å; F1858-W1909 AromaticContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CZ3 4.34Å; W1907-W1909 AromaticContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CZ3 4.32Å; W1907-W1909 AromaticContact CE2-CE3 3.59Å; W1907-W1909 AromaticContact CE3-CE3 3.99Å; W1907-W1909 HydrophobicContact CE3-CE3 3.99Å; W1907-W1909 AromaticContact CE3-CZ3 3.97Å; W1907-W1909 HydrophobicContact CE3-CZ3 3.97Å; W1907-W1909 AromaticContact CH2-CE3 3.63Å; W1907-W1909 HydrophobicContact CH2-CE3 3.63Å; W1907-W1909 AromaticContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CZ2-CD2 4.4Å; W1907-W1909 AromaticContact CZ2-CE3 3.51Å; W1907-W1909 HydrophobicContact CZ2-CE3 3.51Å; W1907-W1909 AromaticContact CZ2-CZ3 3.94Å; W1907-W1909 HydrophobicContact CZ2-CZ3 3.94Å; W1907-W1909 AromaticContact CZ3-CE3 3.88Å; W1907-W1909 HydrophobicContact CZ3-CE3 3.88Å; W1907-W1909 AromaticContact CZ3-CZ3 3.56Å; W1907-W1909 HydrophobicContact CZ3-CZ3 3.56Å; W1907-W1909 PolarHBondContact O-N 3.05Å; W1909-P1911 WeakPolarHBondContact O-CD 3.37Å |
| 1910 | N | 64.8 | Low | 66.9 | Low | 67 Ų | 67 | 58.5 Ų | 58.5 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | trans | -59 | 118.4 | -172.6 | -172.9 | -17.8 | 0 | 0 | 0 | 111.9 | T1912 I1913 V1914 | N1910-T1912 PolarHBondContact O-N 3.18Å; N1910-T1912 VanDerWaalsContact O-N 3.14Å; N1910-T1912 PolarHBondContact OD1-N 3.46Å; N1910-T1912 VanDerWaalsContact OD1-N 3.14Å; N1910-T1912 PolarHBondContact OD1-OG1 3.47Å; N1910-I1913 HydrophobicContact CB-CD1 4.38Å; N1910-I1913 HydrophobicContact CB-CG1 4.47Å; N1910-I1913 PolarHBondContact O-N 3.31Å; N1910-V1914 PolarHBondContact O-N 2.94Å | ||
| 1911 | P | 52.4 | Low | 65.6 | Low | 87 Ų | 87 | 64.2 Ų | 64.2 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.1 | -174.2 | 26.9 | -36 | 0 | 0 | 0 | 114 | W1909 I1913 | W1909-P1911 WeakPolarHBondContact O-CD 3.37Å; P1911-I1913 VanDerWaalsContact C-N 3.26Å; P1911-I1913 PolarHBondContact O-N 2.89Å |
| 1912 | T | 44.6 | Very low | 64.4 | Low | 121 Ų | 121 | 70.5 Ų | 70.5 | 74% | 0.742 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -18.8 | 173.7 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | N1910 | N1910-T1912 PolarHBondContact O-N 3.18Å; N1910-T1912 VanDerWaalsContact O-N 3.14Å; N1910-T1912 PolarHBondContact OD1-N 3.46Å; N1910-T1912 VanDerWaalsContact OD1-N 3.14Å; N1910-T1912 PolarHBondContact OD1-OG1 3.47Å |
| 1913 | I | 48.5 | Very low | 62.7 | Low | 125 Ų | 125 | 70.1 Ų | 70.1 | 64% | 0.641 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -39.1 | -179.9 | -54.7 | 178.9 | 0 | 0 | 0 | 110.4 | N1910 P1911 | N1910-I1913 HydrophobicContact CB-CD1 4.38Å; N1910-I1913 HydrophobicContact CB-CG1 4.47Å; N1910-I1913 PolarHBondContact O-N 3.31Å; P1911-I1913 VanDerWaalsContact C-N 3.26Å; P1911-I1913 PolarHBondContact O-N 2.89Å |
| 1914 | V | 50.6 | Low | 60.6 | Low | 34 Ų | 34 | 78.7 Ų | 78.7 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -136.7 | 118.1 | 177.7 | -163.3 | 0 | 0 | 0 | 0 | 111.9 | L1855 N1910 | L1855-V1914 HydrophobicContact CD2-CB 4.04Å; L1855-V1914 HydrophobicContact CD2-CG1 3.65Å; L1855-V1914 HydrophobicContact CD2-CG2 4.15Å; N1910-V1914 PolarHBondContact O-N 2.94Å |
| 1915 | N | 52.9 | Low | 58.9 | Low | 142 Ų | 142 | 79.3 Ų | 79.3 | 76% | 0.759 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -57 | 141 | 172.3 | -76.4 | -59.4 | 0 | 0 | 0 | 111.7 | P1917 | N1915-P1917 VanDerWaalsContact O-CD 3.31Å; N1915-P1917 WeakPolarHBondContact O-CD 3.35Å; N1915-P1917 VanDerWaalsContact O-N 3.14Å |
| 1916 | F | 56 | Low | 56.4 | Low | 49 Ų | 49 | 80.3 Ų | 80.3 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -54 | 118.3 | 177.7 | -171.1 | -89 | 0 | 0 | 0 | 111.2 | I1903 T1904 W1907 K1918 I1920 R1921 | I1903-F1916 HydrophobicContact CG2-CE2 4.2Å; I1903-F1916 HydrophobicContact CG2-CZ 4.23Å; T1904-F1916 HydrophobicContact CG2-CD1 4.42Å; T1904-F1916 HydrophobicContact CG2-CD2 4.46Å; T1904-F1916 HydrophobicContact CG2-CE1 3.74Å; T1904-F1916 HydrophobicContact CG2-CE2 3.79Å; T1904-F1916 HydrophobicContact CG2-CZ 3.38Å; W1907-F1916 AromaticContact CD2-CD2 3.7Å; W1907-F1916 HydrophobicContact CD2-CD2 3.7Å; W1907-F1916 AromaticContact CD2-CE2 3.7Å; W1907-F1916 HydrophobicContact CD2-CE2 3.7Å; W1907-F1916 AromaticContact CE2-CD2 3.89Å; W1907-F1916 HydrophobicContact CE3-CD2 4.07Å; W1907-F1916 AromaticContact CE3-CE2 3.56Å; W1907-F1916 HydrophobicContact CE3-CE2 3.56Å; W1907-F1916 AromaticContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CE2 4.22Å; W1907-F1916 HydrophobicContact CH2-CE2 4.44Å; W1907-F1916 HydrophobicContact CZ2-CD2 4.4Å; W1907-F1916 AromaticContact CZ3-CE2 3.97Å; W1907-F1916 HydrophobicContact CZ3-CE2 3.97Å; F1916-K1918 PolarHBondContact O-N 3.17Å; F1916-I1920 HydrophobicContact CE1-CB 3.74Å; F1916-I1920 HydrophobicContact CE1-CD1 4.37Å; F1916-I1920 HydrophobicContact CE1-CG2 3.86Å; F1916-I1920 HydrophobicContact CE2-CD1 4.4Å; F1916-I1920 HydrophobicContact CZ-CB 3.9Å; F1916-I1920 HydrophobicContact CZ-CD1 4Å; F1916-I1920 HydrophobicContact CZ-CG2 3.6Å; F1916-R1921 HydrophobicContact CE1-CG 4.14Å |
| 1917 | P | 60.8 | Low | 54 | Low | 18 Ų | 18 | 82.2 Ų | 82.2 | 12% | 0.117 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 124.2 | -170 | -27.8 | 37.3 | 0 | 0 | 0 | 113.4 | L1855 L1859 W1907 N1915 S1919 I1920 | L1855-P1917 HydrophobicContact CD1-CG 4.35Å; L1859-P1917 HydrophobicContact CD1-CB 4.12Å; L1859-P1917 HydrophobicContact CD1-CG 3.89Å; L1859-P1917 HydrophobicContact CD2-CB 3.69Å; L1859-P1917 HydrophobicContact CD2-CG 3.89Å; L1859-P1917 HydrophobicContact CG-CG 4.39Å; W1907-P1917 HydrophobicContact CZ2-CG 4.22Å; N1915-P1917 VanDerWaalsContact O-CD 3.31Å; N1915-P1917 WeakPolarHBondContact O-CD 3.35Å; N1915-P1917 VanDerWaalsContact O-N 3.14Å; P1917-S1919 PolarHBondContact O-N 2.82Å; P1917-S1919 VanDerWaalsContact O-N 3.09Å; P1917-I1920 HydrophobicContact CB-CD1 4.35Å; P1917-I1920 HydrophobicContact CB-CG1 4.44Å; P1917-I1920 HydrophobicContact CG-CD1 4.39Å; P1917-I1920 PolarHBondContact O-N 2.78Å |
| 1918 | K | 58.9 | Low | 51.5 | Low | 180 Ų | 180 | 86.2 Ų | 86.2 | 78% | 0.783 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55 | -31.1 | 179.4 | -68.1 | -169.8 | 176.7 | -171.6 | 0 | 113.3 | F1916 I1920 R1921 E1922 | F1916-K1918 PolarHBondContact O-N 3.17Å; K1918-I1920 PolarHBondContact O-N 3.01Å; K1918-R1921 PolarHBondContact O-N 2.74Å; K1918-R1921 VanDerWaalsContact O-N 3.07Å; K1918-E1922 PolarHBondContact O-N 3.31Å |
| 1919 | S | 58 | Low | 49.2 | Very low | 35 Ų | 35 | 93.6 Ų | 93.6 | 25% | 0.245 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -60.8 | -18.2 | 175.8 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | N1863 P1917 E1922 | N1863-S1919 PolarHBondContact OD1-O 3.15Å; P1917-S1919 PolarHBondContact O-N 2.82Å; P1917-S1919 VanDerWaalsContact O-N 3.09Å; S1919-E1922 CarbonylContact O-C 3.38Å |
| 1920 | I | 59 | Low | 47 | Very low | 1 Ų | 1 | 100.1 Ų | 100.1 | 1% | 0.005 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -80.5 | -37.2 | 173.7 | -61.9 | 173.5 | 0 | 0 | 0 | 110.6 | F1858 L1859 L1900 W1907 F1916 P1917 K1918 | F1858-I1920 HydrophobicContact CE1-CD1 4.37Å; L1859-I1920 HydrophobicContact CD2-CD1 3.72Å; L1859-I1920 HydrophobicContact CD2-CG1 3.67Å; L1900-I1920 HydrophobicContact CD1-CG2 3.61Å; W1907-I1920 HydrophobicContact CH2-CD1 3.33Å; W1907-I1920 HydrophobicContact CZ2-CD1 4.22Å; W1907-I1920 HydrophobicContact CZ3-CD1 3.65Å; F1916-I1920 HydrophobicContact CE1-CB 3.74Å; F1916-I1920 HydrophobicContact CE1-CD1 4.37Å; F1916-I1920 HydrophobicContact CE1-CG2 3.86Å; F1916-I1920 HydrophobicContact CE2-CD1 4.4Å; F1916-I1920 HydrophobicContact CZ-CB 3.9Å; F1916-I1920 HydrophobicContact CZ-CD1 4Å; F1916-I1920 HydrophobicContact CZ-CG2 3.6Å; P1917-I1920 HydrophobicContact CB-CD1 4.35Å; P1917-I1920 HydrophobicContact CB-CG1 4.44Å; P1917-I1920 HydrophobicContact CG-CD1 4.39Å; P1917-I1920 PolarHBondContact O-N 2.78Å; K1918-I1920 PolarHBondContact O-N 3.01Å |
| 1921 | R | 51.3 | Low | 45.6 | Very low | 162 Ų | 162 | 98.7 Ų | 98.7 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73 | -39.7 | 174.2 | -65.1 | -170.7 | 179.9 | -164.6 | -1.1 | 112.2 | F1916 K1918 P1923 | F1916-R1921 HydrophobicContact CE1-CG 4.14Å; K1918-R1921 PolarHBondContact O-N 2.74Å; K1918-R1921 VanDerWaalsContact O-N 3.07Å; R1921-P1923 WeakPolarHBondContact O-CD 3.4Å |
| 1922 | E | 50.9 | Low | 44.7 | Very low | 154 Ų | 154 | 98 Ų | 98 | 72% | 0.72 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -116.5 | 82.6 | 177.2 | -72.5 | 173.5 | -148.9 | 0 | 0 | 109.8 | K1918 S1919 K1924 | K1918-E1922 PolarHBondContact O-N 3.31Å; S1919-E1922 CarbonylContact O-C 3.38Å; E1922-K1924 PolarHBondContact O-N 2.92Å |
| 1923 | P | 48.3 | Very low | 44 | Very low | 39 Ų | 39 | 96.3 Ų | 96.3 | 25% | 0.253 | 50% | 0.496 | S | S | . | . | trans | -58.5 | 138.4 | 171.1 | 22.8 | -32.3 | 0 | 0 | 0 | 110.3 | V1867 R1921 I1925 | V1867-P1923 HydrophobicContact CG1-CB 3.8Å; V1867-P1923 HydrophobicContact CG2-CB 4.24Å; R1921-P1923 WeakPolarHBondContact O-CD 3.4Å; P1923-I1925 HydrophobicContact CB-CG1 4.03Å; P1923-I1925 HydrophobicContact CG-CD1 4.12Å; P1923-I1925 HydrophobicContact CG-CG1 4.05Å; P1923-I1925 PolarHBondContact O-N 2.93Å | ||
| 1924 | K | 38.5 | Very low | 43.2 | Very low | 180 Ų | 180 | 98.4 Ų | 98.4 | 78% | 0.783 | 51% | 0.505 | S | S | * | . | trans | -74.3 | 56.4 | 179.9 | -70.5 | -176.2 | 177.3 | 176.2 | 0 | 112.9 | E1922 T1926 | E1922-K1924 PolarHBondContact O-N 2.92Å; K1924-T1926 PolarHBondContact O-N 3.05Å; K1924-T1926 PolarHBondContact O-OG1 3.31Å | ||
| 1925 | I | 41 | Very low | 42.2 | Very low | 69 Ų | 69 | 101.8 Ų | 101.8 | 35% | 0.354 | 52% | 0.52 | S | S | . | . | trans | -69.4 | 98.1 | 177.5 | -41.5 | 179.7 | 0 | 0 | 0 | 108.5 | V1867 F1871 P1923 L1927 | V1867-I1925 HydrophobicContact CG1-CG1 4.39Å; F1871-I1925 HydrophobicContact CD1-CD1 4.39Å; F1871-I1925 HydrophobicContact CD2-CD1 3.91Å; F1871-I1925 HydrophobicContact CE1-CD1 4.08Å; F1871-I1925 HydrophobicContact CE2-CD1 3.58Å; F1871-I1925 HydrophobicContact CG-CD1 4.31Å; F1871-I1925 HydrophobicContact CZ-CD1 3.67Å; P1923-I1925 HydrophobicContact CB-CG1 4.03Å; P1923-I1925 HydrophobicContact CG-CD1 4.12Å; P1923-I1925 HydrophobicContact CG-CG1 4.05Å; P1923-I1925 PolarHBondContact O-N 2.93Å; I1925-L1927 HydrophobicContact CB-CG 4.42Å; I1925-L1927 HydrophobicContact CG2-CD2 3.84Å; I1925-L1927 HydrophobicContact CG2-CG 3.74Å; I1925-L1927 PolarHBondContact O-N 3.22Å | ||
| 1926 | T | 28.2 | Very low | 41.2 | Very low | 134 Ų | 134 | 102.8 Ų | 102.8 | 82% | 0.822 | 52% | 0.518 | S | S | * | . | trans | -78.2 | 68 | 178.8 | -49.6 | 0 | 0 | 0 | 0 | 109.4 | K1924 T1928 | K1924-T1926 PolarHBondContact O-N 3.05Å; K1924-T1926 PolarHBondContact O-OG1 3.31Å; T1926-T1928 PolarHBondContact O-N 3.38Å; T1926-T1928 VanDerWaalsContact O-N 3.11Å | ||
| 1927 | L | 30.3 | Very low | 40 | Very low | 82 Ų | 82 | 107.5 Ų | 107.5 | 43% | 0.429 | 55% | 0.545 | S | S | . | . | trans | -61.8 | 111 | 177.5 | -73 | 174.4 | 0 | 0 | 0 | 109.6 | I1925 Q1929 M1935 | I1925-L1927 HydrophobicContact CB-CG 4.42Å; I1925-L1927 HydrophobicContact CG2-CD2 3.84Å; I1925-L1927 HydrophobicContact CG2-CG 3.74Å; I1925-L1927 PolarHBondContact O-N 3.22Å; L1927-Q1929 PolarHBondContact O-N 2.86Å; L1927-M1935 HydrophobicContact CD1-CE 3.83Å | ||
| 1928 | T | 29.4 | Very low | 38.6 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 67% | 0.669 | 57% | 0.565 | S | S | * | * | trans | -58.2 | 137.4 | 171.2 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | T1926 N1930 S1931 | T1926-T1928 PolarHBondContact O-N 3.38Å; T1926-T1928 VanDerWaalsContact O-N 3.11Å; T1928-N1930 PolarHBondContact O-N 2.93Å; T1928-S1931 PolarHBondContact O-N 2.78Å; T1928-S1931 PolarHBondContact O-OG 3.24Å | ||
| 1929 | Q | 30.8 | Very low | 37.1 | Very low | 161 Ų | 161 | 113.9 Ų | 113.9 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -54.6 | -27.6 | -165.1 | -72.2 | 175.2 | -45 | 0 | 0 | 114.2 | L1927 S1931 I1932 | L1927-Q1929 PolarHBondContact O-N 2.86Å; Q1929-S1931 PolarHBondContact O-N 3.22Å; Q1929-S1931 VanDerWaalsContact O-N 3.15Å; Q1929-I1932 HydrophobicContact CG-CD1 4.37Å; Q1929-I1932 WeakPolarHBondContact O-CB 2.97Å; Q1929-I1932 PolarHBondContact O-N 2.73Å |
| 1930 | N | 31.3 | Very low | 35.7 | Very low | 154 Ų | 154 | 117 Ų | 117 | 82% | 0.824 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -63.1 | -16.9 | 176.3 | -64.2 | -2.7 | 0 | 0 | 0 | 114.3 | T1928 | T1928-N1930 PolarHBondContact O-N 2.93Š|
| 1931 | S | 35.4 | Very low | 34.3 | Very low | 37 Ų | 37 | 121.4 Ų | 121.4 | 26% | 0.259 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -87.4 | -15 | 174.5 | 58.8 | 0 | 0 | 0 | 0 | 114 | T1928 Q1929 S1933 | T1928-S1931 PolarHBondContact O-N 2.78Å; T1928-S1931 PolarHBondContact O-OG 3.24Å; Q1929-S1931 PolarHBondContact O-N 3.22Å; Q1929-S1931 VanDerWaalsContact O-N 3.15Å; S1931-S1933 VanDerWaalsContact C-N 3.34Å; S1931-S1933 PolarHBondContact O-N 3.44Å |
| 1932 | I | 34.2 | Very low | 33.1 | Very low | 72 Ų | 72 | 120.6 Ų | 120.6 | 37% | 0.369 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.2 | -29.5 | -178.3 | -58.7 | 177.1 | 0 | 0 | 0 | 111.3 | Q1929 M1934 M1935 K1936 | Q1929-I1932 HydrophobicContact CG-CD1 4.37Å; Q1929-I1932 WeakPolarHBondContact O-CB 2.97Å; Q1929-I1932 PolarHBondContact O-N 2.73Å; I1932-M1934 VanDerWaalsContact C-N 3.34Å; I1932-M1934 PolarHBondContact O-N 2.66Å; I1932-M1935 PolarHBondContact O-N 2.76Å; I1932-M1935 VanDerWaalsContact O-N 3.1Å; I1932-K1936 HydrophobicContact CG2-CD 4.46Å; I1932-K1936 HydrophobicContact CG2-CG 4.29Å; I1932-K1936 PolarHBondContact O-N 2.08Å |
| 1933 | S | 29.8 | Very low | 31.9 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.9 | -29 | -176.8 | -57.3 | 0 | 0 | 0 | 0 | 114.5 | S1931 | S1931-S1933 VanDerWaalsContact C-N 3.34Å; S1931-S1933 PolarHBondContact O-N 3.44Å |
| 1934 | M | 30.8 | Very low | 30.8 | Very low | 168 Ų | 168 | 119.8 Ų | 119.8 | 83% | 0.828 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.8 | -32 | 171.4 | -84.1 | -174.6 | 163.5 | 0 | 0 | 112.3 | I1932 | I1932-M1934 VanDerWaalsContact C-N 3.34Å; I1932-M1934 PolarHBondContact O-N 2.66Å |
| 1935 | M | 31.4 | Very low | 30.1 | Very low | 105 Ų | 105 | 118.3 Ų | 118.3 | 52% | 0.517 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.4 | -30.3 | 179.2 | -136.3 | 173.2 | -70.3 | 0 | 0 | 112.1 | L1927 I1932 N1937 Y1938 | L1927-M1935 HydrophobicContact CD1-CE 3.83Å; I1932-M1935 PolarHBondContact O-N 2.76Å; I1932-M1935 VanDerWaalsContact O-N 3.1Å; M1935-N1937 PolarHBondContact O-N 3.27Å; M1935-Y1938 CarbonylContact O-C 3.57Å; M1935-Y1938 PolarHBondContact O-N 2.54Å |
| 1936 | K | 31.8 | Very low | 29.5 | Very low | 164 Ų | 164 | 119.2 Ų | 119.2 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -21.3 | 176.7 | -79.6 | -174.6 | 173.2 | -174 | 0 | 115.3 | I1932 | I1932-K1936 HydrophobicContact CG2-CD 4.46Å; I1932-K1936 HydrophobicContact CG2-CG 4.29Å; I1932-K1936 PolarHBondContact O-N 2.08Å |
| 1937 | N | 29.2 | Very low | 29.3 | Very low | 147 Ų | 147 | 120 Ų | 120 | 79% | 0.786 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -2.3 | 173.1 | -75.5 | -3.3 | 0 | 0 | 0 | 113.3 | M1935 | M1935-N1937 PolarHBondContact O-N 3.27Š|
| 1938 | Y | 33.3 | Very low | 29.1 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 55% | 0.549 | 65% | 0.649 | S | S | . | * | trans | -108.7 | 85 | 165.7 | -74.6 | -89.1 | 0 | 0 | 0 | 108.6 | M1935 L1940 | M1935-Y1938 CarbonylContact O-C 3.57Å; M1935-Y1938 PolarHBondContact O-N 2.54Å; Y1938-L1940 PolarHBondContact O-N 2.08Å | ||
| 1939 | Q | 27.4 | Very low | 28.9 | Very low | 193 Ų | 193 | 123.2 Ų | 123.2 | 90% | 0.902 | 66% | 0.659 | S | S | * | * | trans | -69.4 | 72 | 165.4 | -170.3 | 175.3 | 2.5 | 0 | 0 | 109.1 | T1941 | Q1939-T1941 PolarHBondContact O-N 2.09Š| ||
| 1940 | L | 28.3 | Very low | 28.6 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | trans | -61.9 | 129.2 | 178.9 | -98.3 | 156.3 | 0 | 0 | 0 | 109.9 | Y1938 L1942 | Y1938-L1940 PolarHBondContact O-N 2.08Å; L1940-L1942 HydrophobicContact CB-CD1 4.48Å; L1940-L1942 PolarHBondContact O-N 2.9Å | ||
| 1941 | T | 28.2 | Very low | 28.2 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 58% | 0.577 | 65% | 0.653 | S | S | * | * | trans | -72 | 63.4 | 169.1 | 35 | 0 | 0 | 0 | 0 | 111.5 | Q1939 S1943 T1944 | Q1939-T1941 PolarHBondContact O-N 2.09Å; T1941-S1943 PolarHBondContact O-N 2.06Å; T1941-T1944 PolarHBondContact O-N 2.9Å; T1941-T1944 PolarHBondContact O-OG1 2.62Å | ||
| 1942 | L | 27.8 | Very low | 27.8 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -61.2 | -15.1 | 159.8 | -85.5 | 151.7 | 0 | 0 | 0 | 111.8 | L1940 T1944 | L1940-L1942 HydrophobicContact CB-CD1 4.48Å; L1940-L1942 PolarHBondContact O-N 2.9Å; L1942-T1944 VanDerWaalsContact C-N 3.31Å; L1942-T1944 PolarHBondContact O-N 3.11Å |
| 1943 | S | 24.4 | Very low | 27.3 | Very low | 83 Ų | 83 | 129 Ų | 129 | 58% | 0.58 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -77.3 | 0.5 | 172.5 | 51.4 | 0 | 0 | 0 | 0 | 115.5 | T1941 | T1941-S1943 PolarHBondContact O-N 2.06Š|
| 1944 | T | 25.3 | Very low | 27 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 58% | 0.577 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -124.6 | 18.2 | 179.4 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | T1941 L1942 | T1941-T1944 PolarHBondContact O-N 2.9Å; T1941-T1944 PolarHBondContact O-OG1 2.62Å; L1942-T1944 VanDerWaalsContact C-N 3.31Å; L1942-T1944 PolarHBondContact O-N 3.11Å |
| 1945 | L | 24.2 | Very low | 26.7 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -122.4 | 5.3 | 158.6 | -130.5 | 82.5 | 0 | 0 | 0 | 113.7 | ||
| 1946 | C | 27.5 | Very low | 26.4 | Very low | 87 Ų | 87 | 139 Ų | 139 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | trans | -107.3 | 65.5 | 161.7 | -67.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1947 | N | 24.6 | Very low | 26.1 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -137.8 | 36 | 164 | -104.4 | -36.3 | 0 | 0 | 0 | 110.5 | ||
| 1948 | S | 26.4 | Very low | 26 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -145.6 | 123.1 | 162 | -51.1 | 0 | 0 | 0 | 0 | 105.8 | V1950 | S1948-V1950 PolarHBondContact O-N 2.9Š|
| 1949 | D | 25.2 | Very low | 25.6 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 58.8 | 35.2 | 160.6 | -51.4 | -24.4 | 0 | 0 | 0 | 120.5 | ||
| 1950 | V | 24.3 | Very low | 25.6 | Very low | 105 Ų | 105 | 133 Ų | 133 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -145.6 | 99.6 | 142.1 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | S1948 | S1948-V1950 PolarHBondContact O-N 2.9Š| ||
| 1951 | E | 22.1 | Very low | 25.3 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | 173.2 | 100.1 | 129.5 | -99.5 | -175.5 | -171.4 | 0 | 0 | 111.7 | |||||
| 1952 | T | 27.3 | Very low | 25.2 | Very low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | 175.7 | 70.2 | 142.1 | 24.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1953 | C | 23.4 | Very low | 25.1 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 86% | 0.858 | 75% | 0.753 | S | S | * | * | trans | -73.9 | 131.5 | 151.3 | -77 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1954 | Q | 24.1 | Very low | 25.1 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 69.5 | 122.3 | -170.2 | -50.1 | 171.9 | -10 | 0 | 0 | 111.9 | ||||
| 1955 | H | 24.1 | Very low | 24.9 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -121.9 | 133.3 | 10.8 | -72.5 | -109.8 | 0 | 0 | 0 | 113.5 | ||||
| 1956 | R | 26 | Very low | 24.9 | Very low | 239 Ų | 239 | 138.8 Ų | 138.8 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -126.4 | 85.7 | 140.8 | -90 | -163.8 | 175.3 | -149.1 | -0.1 | 109.3 | ||||
| 1957 | T | 25 | Very low | 24.8 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -75 | 110.4 | 137 | 42.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1958 | S | 27.7 | Very low | 24.7 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -80.4 | 125.7 | 178.3 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1959 | M | 25.3 | Very low | 24.7 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | 177.1 | -179.4 | 111.3 | -94.1 | -164.9 | 71 | 0 | 0 | 109.3 | |||||
| 1960 | D | 27.1 | Very low | 24.8 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -39 | 148.2 | 139.9 | -49.8 | -88.7 | 0 | 0 | 0 | 110.8 | ||||
| 1961 | S | 22.4 | Very low | 24.8 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | cis | -105.1 | 157.6 | 29.7 | -55.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1962 | G | 25.1 | Very low | 24.8 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -83 | 162.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1963 | I | 24.9 | Very low | 24.7 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 82.1 | 90.9 | 145.8 | -51.6 | 175.2 | 0 | 0 | 0 | 118.4 | ||||
| 1964 | I | 24.3 | Very low | 24.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | 42.6 | 120.1 | 128.4 | -43.1 | 164 | 0 | 0 | 0 | 117.7 | |||||
| 1965 | L | 23 | Very low | 24.7 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | -169.5 | 142.7 | 91.8 | -118 | 103.4 | 0 | 0 | 0 | 115.4 | |||||
| 1966 | D | 22.4 | Very low | 24.8 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | 34.2 | 136.6 | 146.4 | -58 | -1.9 | 0 | 0 | 0 | 124.2 | ||||
| 1967 | G | 25.4 | Very low | 24.7 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 174 | 45.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1968 | I | 23.8 | Very low | 24.7 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 5.2 | 115.9 | 165.3 | -51.3 | 170.9 | 0 | 0 | 0 | 118.4 | ||||
| 1969 | N | 25.5 | Very low | 24.4 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -164.1 | 131.7 | 145.2 | -133.9 | -23.7 | 0 | 0 | 0 | 114.7 | ||||
| 1970 | P | 28.6 | Very low | 24.3 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | trans | -111.9 | 136.5 | 174.4 | 37.1 | -27.8 | 0 | 0 | 0 | 114 | ||||
| 1971 | T | 23 | Very low | 24.2 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | -153 | 171.4 | 169.3 | 16.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1972 | S | 23.1 | Very low | 24.2 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -130.7 | 164.6 | -158.4 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1973 | N | 25.5 | Very low | 24.1 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 39.2 | 119.9 | 152.4 | -59.2 | -6.8 | 0 | 0 | 0 | 120.4 | ||||
| 1974 | N | 23.6 | Very low | 24.1 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | -171.3 | 173.5 | 116 | -102.1 | -33.1 | 0 | 0 | 0 | 114.8 | |||||
| 1975 | L | 24 | Very low | 24.2 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -107.1 | 155.8 | -175.4 | -92.4 | 149.1 | 0 | 0 | 0 | 113 | ||||
| 1976 | F | 26.1 | Very low | 24.2 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | trans | 49.7 | 111.8 | 162.3 | -82.3 | -77.6 | 0 | 0 | 0 | 119.7 | ||||
| 1977 | N | 23.9 | Very low | 24.3 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | -176.4 | 173.4 | 124 | -103.7 | -30.9 | 0 | 0 | 0 | 113.1 | |||||
| 1978 | C | 24.3 | Very low | 24.4 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | 28 | 123.4 | 146 | -58.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1979 | F | 21.9 | Very low | 24.4 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | cis | 44.7 | 72.9 | 44.4 | -120.1 | -58.3 | 0 | 0 | 0 | 112.4 | ||||
| 1980 | E | 23.1 | Very low | 24.3 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | 177.9 | 143.7 | 110.9 | -91.7 | -165.3 | 126.9 | 0 | 0 | 113.6 | |||||
| 1981 | N | 23.5 | Very low | 24.2 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | 28 | 107.8 | 133.2 | -45 | -27.5 | 0 | 0 | 0 | 116 | ||||
| 1982 | N | 23.2 | Very low | 24.2 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | -167.2 | 130.8 | 68 | -87.7 | -45.1 | 0 | 0 | 0 | 109.2 | |||||
| 1983 | S | 23.2 | Very low | 24.2 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 56% | 0.559 | 69% | 0.688 | S | S | * | * | 63.6 | 122.4 | 83.2 | 97.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1984 | N | 25.8 | Very low | 24.2 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | -138.5 | 158.1 | 57.4 | -83.3 | -12.3 | 0 | 0 | 0 | 114.7 | |||||
| 1985 | I | 25.4 | Very low | 24.2 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | 67.6 | 117.7 | 51.2 | -83.5 | 167.7 | 0 | 0 | 0 | 108 | |||||
| 1986 | M | 23.5 | Very low | 24.3 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | cis | -154.8 | 174.4 | 25.8 | -84.4 | -44.7 | -170.3 | 0 | 0 | 111.8 | ||||
| 1987 | Y | 24.1 | Very low | 24.1 | Very low | 183 Ų | 183 | 123 Ų | 123 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | cis | -150.2 | 140 | -5.9 | -126.1 | -49.4 | 0 | 0 | 0 | 110.3 | ||||
| 1988 | G | 27.2 | Very low | 24.8 | Very low | 63 Ų | 63 | 117.3 Ų | 117.3 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | trans | 71.1 | 173.9 | 136 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1989 | N | 24.3 | Very low | 24.6 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 67% | 0.674 | 58% | 0.584 | S | S | * | * | cis | -161 | 147.6 | -11 | -116.9 | 1.8 | 0 | 0 | 0 | 109.3 | ||||
| 1990 | N | 23.6 | Very low | 24.7 | Very low | 109 Ų | 109 | 114 Ų | 114 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | trans | 65.7 | 162.3 | 154 | -65.8 | -10.2 | 0 | 0 | 0 | 116.7 | ||||
| 1991 | Y | 26.2 | Very low | 25 | Very low | 178 Ų | 178 | 114.5 Ų | 114.5 | 70% | 0.698 | 58% | 0.584 | S | S | * | * | cis | -160.1 | 147.2 | -12.5 | -106.6 | -26 | 0 | 0 | 0 | 108.3 | ||||
| 1992 | Y | 23.6 | Very low | 25 | Very low | 177 Ų | 177 | 111.9 Ų | 111.9 | 69% | 0.694 | 58% | 0.584 | S | S | * | * | trans | 60 | 169.4 | 148.2 | -79.4 | -117.1 | 0 | 0 | 0 | 116.5 | ||||
| 1993 | S | 21.9 | Very low | 25.3 | Very low | 45 Ų | 45 | 111.9 Ų | 111.9 | 32% | 0.315 | 58% | 0.584 | S | S | . | * | cis | 167.9 | 162.4 | -17.5 | -179.5 | 0 | 0 | 0 | 0 | 104.3 | N1375 | N1375-S1993 PolarHBondContact OD1-OG 3.13Š| ||
| 1994 | H | 25.9 | Very low | 25.3 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | trans | 67.5 | 114 | -172.9 | -48.2 | -79.4 | 0 | 0 | 0 | 112.2 | N1375 D1377 | N1375-H1994 PolarHBondContact OD1-N 2.74Å; D1377-H1994 IonicContact OD2-CE1 3.58Å; D1377-H1994 PolarHBondContact OD2-CE1 3.06Å; D1377-H1994 IonicContact OD2-ND1 2.66Å; D1377-H1994 PolarHBondContact OD2-ND1 3.38Å | ||
| 1995 | Y | 23.5 | Very low | 25.6 | Very low | 62 Ų | 62 | 117.4 Ų | 117.4 | 24% | 0.243 | 59% | 0.594 | C | S | . | * | cis | 73.8 | 83 | 19.6 | -112.6 | -134 | 0 | 0 | 0 | 112.9 | N1375 D1377 E1378 | N1375-Y1995 VanDerWaalsContact C-CD1 3.42Å; N1375-Y1995 HydrophobicContact CB-CD1 3.6Å; N1375-Y1995 HydrophobicContact CB-CD2 4.14Å; N1375-Y1995 HydrophobicContact CB-CE1 3.86Å; N1375-Y1995 HydrophobicContact CB-CE2 4.36Å; N1375-Y1995 HydrophobicContact CB-CG 3.78Å; N1375-Y1995 WeakPolarHBondContact ND2-CD2 3.06Å; N1375-Y1995 WeakPolarHBondContact O-CD1 3.17Å; N1375-Y1995 WeakPolarHBondContact O-CE1 2.52Å; N1375-Y1995 WeakPolarHBondContact OD1-CB 2.83Å; D1377-Y1995 CarbonylContact C-O 3.4Å; D1377-Y1995 VanDerWaalsContact CB-O 3.25Å; D1377-Y1995 WeakPolarHBondContact CB-O 3.2Å; E1378-Y1995 HydrophobicContact CB-CD1 3.31Å; E1378-Y1995 HydrophobicContact CB-CD2 3.58Å; E1378-Y1995 HydrophobicContact CB-CE1 3.69Å; E1378-Y1995 HydrophobicContact CB-CE2 3.94Å; E1378-Y1995 HydrophobicContact CB-CG 3.22Å; E1378-Y1995 HydrophobicContact CG-CD2 4.22Å; E1378-Y1995 HydrophobicContact CG-CG 4.28Å; E1378-Y1995 VanDerWaalsContact N-CD1 3.27Å; E1378-Y1995 WeakPolarHBondContact OE1-CA 3.49Å; E1378-Y1995 WeakPolarHBondContact OE2-CD2 3.16Å; E1378-Y1995 VanDerWaalsContact OE2-CE2 3.27Å; E1378-Y1995 WeakPolarHBondContact OE2-CE2 3.42Å | ||
| 1996 | H | 26.3 | Very low | 25.6 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | trans | -167.7 | 114.3 | 172.7 | -111.9 | 22.1 | 0 | 0 | 0 | 114.6 | D1377 E1378 R1381 | D1377-H1996 WeakPolarHBondContact CB-ND1 3.42Å; D1377-H1996 PolarHBondContact O-ND1 2.79Å; E1378-H1996 PolarHBondContact OE1-N 3.26Å; R1381-H1996 PolarHBondContact NH1-CD2 3.22Å; R1381-H1996 VanDerWaalsContact NH1-CD2 3.31Å; R1381-H1996 PolarHBondContact NH1-CE1 3.16Å; R1381-H1996 PolarHBondContact NH1-ND1 2.78Å; R1381-H1996 PolarHBondContact NH1-NE2 3.47Å; R1381-H1996 PolarHBondContact NH2-CD2 3.06Å; R1381-H1996 VanDerWaalsContact NH2-CG 3.32Å | ||
| 1997 | Y | 21.1 | Very low | 25.7 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | trans | -95.4 | -138.3 | 175.4 | -121.5 | -113.5 | 0 | 0 | 0 | 111.3 | E1378 R1381 N1382 | E1378-Y1997 HydrophobicContact CG-CD2 3.78Å; R1381-Y1997 VanDerWaalsContact CZ-O 3.26Å; R1381-Y1997 VanDerWaalsContact NE-C 3.3Å; R1381-Y1997 PolarHBondContact NE-O 2.93Å; R1381-Y1997 PolarHBondContact NH2-O 3.08Å; R1381-Y1997 WeakPolarHBondContact O-CB 3.31Å; R1381-Y1997 WeakPolarHBondContact O-CD1 3.49Å; N1382-Y1997 HydrophobicContact CB-CD1 4.29Å; N1382-Y1997 HydrophobicContact CB-CE1 4.18Å; N1382-Y1997 VanDerWaalsContact CG-CE1 3.45Å; N1382-Y1997 PolarHBondContact ND2-OH 2.82Å; N1382-Y1997 WeakPolarHBondContact OD1-CE1 3.42Å; N1382-Y1997 PolarHBondContact OD1-OH 3.19Å | ||
| 1998 | P | 39.5 | Very low | 25.8 | Very low | 34 Ų | 34 | 115.9 Ų | 115.9 | 22% | 0.221 | 60% | 0.601 | C | S | . | * | -92.1 | -155.4 | -112.7 | 51.2 | -34.2 | 0 | 0 | 0 | 114.8 | R1381 Y1385 | R1381-P1998 WeakPolarHBondContact O-CD 3.41Å; R1381-P1998 WeakPolarHBondContact O-CG 3.26Å; Y1385-P1998 HydrophobicContact CE2-CB 4.41Å | |||
| 1999 | Y | 21.1 | Very low | 25.7 | Very low | 157 Ų | 157 | 119.6 Ų | 119.6 | 62% | 0.616 | 60% | 0.601 | S | S | * | * | trans | 73.8 | 142.6 | 160.9 | -95.3 | -125.9 | 0 | 0 | 0 | 116 | L1384 | L1384-Y1999 HydrophobicContact CB-CD2 4.17Å; L1384-Y1999 HydrophobicContact CB-CE2 3.54Å; L1384-Y1999 HydrophobicContact CD1-CD2 4.47Å; L1384-Y1999 HydrophobicContact CD1-CE2 4.29Å; L1384-Y1999 HydrophobicContact CG-CE2 4.48Å | ||
| 2000 | G | 23.8 | Very low | 25.7 | Very low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 60% | 0.602 | S | S | * | * | trans | -123.4 | 149.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2001 | I | 28.6 | Very low | 25.8 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 84% | 0.841 | 61% | 0.609 | S | S | * | * | trans | -117 | 133.5 | 148.1 | -69.7 | 168.2 | 0 | 0 | 0 | 101.8 | ||||
| 2002 | G | 24 | Very low | 26.1 | Very low | 60 Ų | 60 | 116.3 Ų | 116.3 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | cis | 99.3 | 150.8 | 46.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 2003 | D | 29.5 | Very low | 26.3 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 76% | 0.759 | 61% | 0.608 | S | S | * | * | trans | 65.7 | 108.5 | -175.3 | -57 | -23.8 | 0 | 0 | 0 | 113.1 | ||||
| 2004 | N | 23.5 | Very low | 26.8 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 67% | 0.674 | 63% | 0.63 | S | S | * | * | cis | 46.2 | 112.2 | 49.2 | -49.2 | -53.3 | 0 | 0 | 0 | 110.8 | ||||
| 2005 | Y | 31.8 | Very low | 26.9 | Very low | 196 Ų | 196 | 119.2 Ų | 119.2 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | cis | -127.8 | 150.1 | 21.7 | -73.5 | -105.9 | 0 | 0 | 0 | 108.6 | ||||
| 2006 | N | 24 | Very low | 26.9 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | cis | 60.4 | 159.5 | 49.8 | -164.6 | 9.8 | 0 | 0 | 0 | 111.3 | ||||
| 2007 | V | 26.8 | Very low | 27.1 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 62% | 0.624 | 68% | 0.675 | S | S | * | * | trans | 73.5 | 125.3 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2008 | Q | 25.3 | Very low | 27.4 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 65% | 0.654 | 69% | 0.687 | S | S | * | * | cis | -152.8 | 159.3 | -11.5 | -117.1 | 171.7 | -16.3 | 0 | 0 | 108 | ||||
| 2009 | Q | 24.7 | Very low | 26.7 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 66% | 0.659 | 72% | 0.715 | S | S | * | * | 44.2 | 151.3 | 104.4 | -56.8 | 172.5 | -26 | 0 | 0 | 115.4 | |||||
| 2010 | H | 26 | Very low | 27.1 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | cis | -172 | 156.4 | 47.1 | -136.7 | -64.3 | 0 | 0 | 0 | 112.8 | ||||
| 2011 | V | 25.7 | Very low | 27.3 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | 69.1 | 144.2 | 164.8 | -173.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2012 | A | 31.6 | Very low | 27.4 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | cis | -116.6 | 155.1 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2013 | N | 28 | Very low | 27.7 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | 48.8 | 129.6 | 87.8 | -41.1 | -17.9 | 0 | 0 | 0 | 111.9 | |||||
| 2014 | I | 32.5 | Very low | 27.7 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | cis | -148.7 | 134.4 | 47 | -83.7 | 178.5 | 0 | 0 | 0 | 112.3 | ||||
| 2015 | T | 28.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | trans | 31.4 | 136.4 | 156.2 | 65.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 2016 | D | 23.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | -44.4 | 143.2 | 145.1 | -50.9 | -95 | 0 | 0 | 0 | 113.4 | ||||
| 2017 | C | 29.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | trans | -162.5 | 116.6 | 140.1 | -117.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2018 | N | 28.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 66% | 0.658 | 71% | 0.705 | S | S | * | * | 40.3 | 113.2 | 119.6 | -58.3 | -36.3 | 0 | 0 | 0 | 117.5 | |||||
| 2019 | Q | 24.8 | Very low | 27.6 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | 56.1 | 79.8 | 93.6 | -66.2 | -169.1 | 4.5 | 0 | 0 | 114.5 | |||||
| 2020 | L | 29.8 | Very low | 27.7 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | -116.2 | 95.3 | 143.1 | -75 | 169.2 | 0 | 0 | 0 | 106 | ||||
| 2021 | T | 27.8 | Very low | 27.7 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 58% | 0.577 | 70% | 0.703 | S | S | * | * | 79 | 140.5 | 79.6 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2022 | T | 29.6 | Very low | 27.7 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | 65.3 | 137.8 | 150.9 | 54 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2023 | T | 30.2 | Very low | 27.5 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | cis | -165.3 | 171.1 | 1.5 | 6.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2024 | T | 30.6 | Very low | 27.6 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | 55.8 | 95.3 | 146.7 | 52.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2025 | S | 24.2 | Very low | 27.4 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | 47.2 | 149.2 | 98.9 | 72.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 2026 | H | 31.3 | Very low | 27.4 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | 69.2 | 157.3 | 161.2 | -66.5 | -73.8 | 0 | 0 | 0 | 117.3 | ||||
| 2027 | Q | 24.9 | Very low | 27.6 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | cis | -173.8 | 153.2 | -45.8 | -128.5 | -175.5 | -20.8 | 0 | 0 | 107.1 | ||||
| 2028 | M | 23.7 | Very low | 27.4 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 64% | 0.64 | 70% | 0.704 | S | S | * | * | trans | 47.1 | 124.2 | 147.2 | -75.1 | -159.1 | -175.5 | 0 | 0 | 121.2 | ||||
| 2029 | K | 25.1 | Very low | 27.4 | Very low | 165 Ų | 165 | 132 Ų | 132 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | trans | 74.3 | 156.2 | 133.3 | -64.6 | 178.5 | 179.4 | 177 | 0 | 116.6 | ||||
| 2030 | N | 27.2 | Very low | 27.5 | Very low | 105 Ų | 105 | 132 Ų | 132 | 56% | 0.561 | 71% | 0.709 | S | S | * | * | cis | -144.4 | 157.8 | -5 | -132.7 | 18 | 0 | 0 | 0 | 112.2 | ||||
| 2031 | E | 25.6 | Very low | 27.5 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | trans | 44 | 129.8 | 139.1 | -76.3 | 164.6 | -147.3 | 0 | 0 | 122.4 | ||||
| 2032 | N | 26.2 | Very low | 27.4 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | 93 | 147.8 | 138.1 | -65.2 | -24.4 | 0 | 0 | 0 | 121.7 | ||||
| 2033 | C | 27.1 | Very low | 27.5 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | trans | 69.1 | 86.7 | 158.9 | -67.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2034 | T | 28.9 | Very low | 27.5 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | 75.7 | 139.5 | 125.1 | 62.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 2035 | R | 28 | Very low | 27.7 | Very low | 226 Ų | 226 | 135.1 Ų | 135.1 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | 83.4 | 115 | 141.6 | -110.3 | 179.1 | 179.4 | 134 | -0.3 | 120 | ||||
| 2036 | S | 28.8 | Very low | 27.9 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | 74.5 | 119.3 | 128.2 | 58.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 2037 | N | 28.9 | Very low | 27.7 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | 82.9 | 105.6 | 126 | -64 | 7.4 | 0 | 0 | 0 | 120.5 | |||||
| 2038 | C | 24.9 | Very low | 27.8 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | 78 | 129 | 119.1 | -63.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 2039 | T | 27 | Very low | 28.1 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 69.9 | 152.3 | 153.9 | 59.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2040 | K | 27.9 | Very low | 28.3 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | cis | -153.9 | 178.2 | 18.7 | -142.2 | 163.3 | -174.4 | 177 | 0 | 111.5 | ||||
| 2041 | T | 30.5 | Very low | 28.3 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | 50.3 | 106.2 | 156.3 | 44.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 2042 | V | 25.6 | Very low | 28.5 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -61.1 | 132.7 | 135.4 | 171.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2043 | T | 31.5 | Very low | 28.7 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -126.3 | 141.5 | 153.2 | 30.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 2044 | S | 29.2 | Very low | 28.8 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -76.8 | 144.4 | -167.2 | 45.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2045 | M | 35.6 | Very low | 28.8 | Very low | 180 Ų | 180 | 152.3 Ų | 152.3 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | -167.8 | 125.5 | 113.9 | -102.4 | -173.9 | -173 | 0 | 0 | 111.7 | |||||
| 2046 | K | 27.4 | Very low | 28.9 | Very low | 290 Ų | 290 | 145.6 Ų | 145.6 | 100% | 1.261 | 81% | 0.807 | S | S | * | * | trans | 70.6 | 0 | -174.4 | -62.2 | -175.2 | 176.9 | 179.3 | 0 | 115.6 |
Retrieved 2,046 of 2,046 residues in 440.7 ms
(Link to these results)