| 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 | 35 | Very low | 36.7 | Very low | 244 Ų | 244 | 133 Ų | 133 | 100% | 1.202 | 78% | 0.783 | S | S | * | * | 0 | 133 | 0 | -83.9 | -179.3 | 170.7 | 0 | 0 | 108.4 | |||||
| 2 | A | 37.3 | Very low | 36.9 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 60.2 | 108.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | T | 38.7 | Very low | 36.5 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | 79.6 | 139 | 53.1 | 69.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 4 | A | 37.3 | Very low | 36.4 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 85.1 | 146.4 | 154 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 5 | A | 36.3 | Very low | 36.3 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -175.5 | 131.9 | -10 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 6 | S | 37.4 | Very low | 36.2 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | 75.5 | 133.1 | 92.4 | -134.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 7 | N | 36 | Very low | 35.9 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | 87.9 | 146 | 143.3 | -59.5 | -13.4 | 0 | 0 | 0 | 118.1 | ||||
| 8 | H | 37.8 | Very low | 35.9 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | cis | -169.3 | 155.6 | 5.9 | -116.5 | -159.5 | 0 | 0 | 0 | 110.2 | ||||
| 9 | Y | 33.6 | Very low | 35.8 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 16.4 | 138.2 | 143.7 | -78.9 | -96.2 | 0 | 0 | 0 | 121.9 | ||||
| 10 | S | 33.9 | Very low | 35.7 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | -157.8 | 121.2 | 129.7 | -76.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 11 | I | 40.5 | Very low | 35.5 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | -79.6 | 159.8 | 163.4 | -70.3 | 166.8 | 0 | 0 | 0 | 108.4 | ||||
| 12 | L | 38.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | 149.5 | 105.5 | 148.7 | -78 | 165.3 | 0 | 0 | 0 | 107.7 | ||||
| 13 | T | 31.7 | Very low | 36.1 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | 65.3 | 135.7 | 74.6 | -151.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 14 | S | 34.9 | Very low | 35.7 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 84.4 | 138.4 | 152.3 | -65 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 15 | S | 35.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | cis | -169.4 | 157.1 | 3.7 | -70.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 16 | A | 34.4 | Very low | 35.4 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 168.7 | 128.6 | 78.1 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 17 | S | 32.2 | Very low | 35.4 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | 87.2 | 127.6 | 76.6 | -57.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 18 | I | 34.4 | Very low | 35.2 | Very low | 161 Ų | 161 | 131 Ų | 131 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 144.7 | 107.1 | 148.5 | -83.4 | 168.2 | 0 | 0 | 0 | 109.7 | ||||
| 19 | V | 34.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | 117.7 | 112.7 | 68.6 | 138.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 20 | H | 32.5 | Very low | 34.6 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | 80 | 131.3 | 110.1 | -130.1 | -91.3 | 0 | 0 | 0 | 113.4 | |||||
| 21 | S | 32.5 | Very low | 34.7 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | cis | -165 | 153.7 | 44.2 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 22 | E | 34.5 | Very low | 34.3 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -82.4 | 165 | 161.7 | -145.4 | -131.7 | 151.2 | 0 | 0 | 110.6 | G24 | E22-G24 VanDerWaalsContact CD-N 3.29Å; E22-G24 PolarHBondContact OE1-N 3.2Å | ||
| 23 | P | 50.2 | Low | 34.1 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | -154.3 | 147.5 | 90.5 | 37.3 | -17.5 | 0 | 0 | 0 | 117.7 | |||||
| 24 | G | 31.5 | Very low | 34 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | 88.7 | 118.7 | 121.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | E22 | E22-G24 VanDerWaalsContact CD-N 3.29Å; E22-G24 PolarHBondContact OE1-N 3.2Å | |||
| 25 | G | 30.2 | Very low | 33.8 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 142.7 | 92.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 26 | M | 36.2 | Very low | 33.6 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 120.6 | 131.5 | -63.2 | 171.8 | 74 | 0 | 0 | 123.3 | ||||
| 27 | Q | 37.7 | Very low | 33.4 | Very low | 158 Ų | 158 | 137 Ų | 137 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 71.4 | 113.7 | 134.4 | -65.8 | 170.2 | 3.2 | 0 | 0 | 119.2 | ||||
| 28 | Q | 30.6 | Very low | 33.4 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | 93.7 | 109.9 | 70.9 | -167 | 170.7 | 65.2 | 0 | 0 | 113.4 | |||||
| 29 | A | 29.5 | Very low | 33.4 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | 20.6 | 133.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 30 | T | 30.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | -171.9 | 147.2 | 108.9 | 5.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 31 | A | 35 | Very low | 33 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -67.1 | 152.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 32 | Y | 32.2 | Very low | 32.8 | Very low | 239 Ų | 239 | 137.5 Ų | 137.5 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | trans | -158.9 | 141.7 | 139.4 | -114.4 | -83.3 | 0 | 0 | 0 | 111.7 | ||||
| 33 | R | 34.1 | Very low | 32.6 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -81.8 | 174.6 | 177.8 | -107.4 | -167.2 | 179.5 | 177.8 | -0.1 | 112 | ||||
| 34 | D | 30.3 | Very low | 32.3 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 88.1 | 107.1 | 161.7 | -74.9 | -64.1 | 0 | 0 | 0 | 115.5 | ||||
| 35 | A | 30.8 | Very low | 32.4 | Very low | 82 Ų | 82 | 144.7 Ų | 144.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | 70.4 | 102.7 | 71.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 36 | Q | 30.7 | Very low | 32.5 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | 175.2 | 127 | 122 | -95 | -169.6 | 7.5 | 0 | 0 | 112.4 | |||||
| 37 | S | 30.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | 60.5 | 127.7 | 131.9 | -138.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 38 | L | 32.2 | Very low | 31.8 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 89 | 123.8 | 138.6 | -81.1 | 156.3 | 0 | 0 | 0 | 120.8 | ||||
| 39 | L | 34.7 | Very low | 31.9 | Very low | 131 Ų | 131 | 142 Ų | 142 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | 73.6 | 107.2 | 145.8 | -71.8 | 158.2 | 0 | 0 | 0 | 118.7 | ||||
| 40 | Q | 32 | Very low | 32.1 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 60 | 108.6 | 118.7 | -142.5 | 161.5 | 18.3 | 0 | 0 | 116.2 | |||||
| 41 | S | 28.3 | Very low | 32.2 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | 164.4 | 136.8 | 123 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 42 | D | 27.2 | Very low | 32.1 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 43.1 | 127.7 | 146.3 | -66.2 | -68.9 | 0 | 0 | 0 | 121.5 | ||||
| 43 | Y | 30.7 | Very low | 32.1 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | 174.5 | 166.4 | 120.8 | -99 | -60.4 | 0 | 0 | 0 | 112.2 | |||||
| 44 | P | 44.4 | Very low | 32.3 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | -114 | 175.1 | -118.8 | 43.1 | -30.9 | 0 | 0 | 0 | 113.8 | |||||
| 45 | L | 32.6 | Very low | 32.4 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -151.7 | 97.6 | 159.7 | -107.9 | 151.4 | 0 | 0 | 0 | 113.1 | ||||
| 46 | Q | 32 | Very low | 33 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 10.2 | 118.2 | 133.1 | -156.1 | 151.6 | 12.1 | 0 | 0 | 119.8 | ||||
| 47 | S | 30.4 | Very low | 33.2 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 35.8 | 123 | 141.9 | 67.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 48 | N | 29.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | -163.6 | 128.4 | 110.3 | -140.4 | 21.8 | 0 | 0 | 0 | 112.9 | |||||
| 49 | S | 31.8 | Very low | 33.7 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -77.1 | 131.4 | 170.6 | -74.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 50 | H | 33.5 | Very low | 33.7 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -147.6 | 133.8 | 148 | -76.7 | -64.6 | 0 | 0 | 0 | 111.6 | ||||
| 51 | T | 32.9 | Very low | 33.6 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -70.1 | 129 | -174.1 | 49.5 | 0 | 0 | 0 | 0 | 113 | S53 | T51-S53 PolarHBondContact O-N 3.23Š| ||
| 52 | L | 32.7 | Very low | 33.9 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -72.4 | 108.1 | 170.1 | -91.7 | 113.1 | 0 | 0 | 0 | 111.1 | ||||
| 53 | S | 32.9 | Very low | 34.1 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -124.7 | 108.6 | 155.9 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | T51 | T51-S53 PolarHBondContact O-N 3.23Š| ||
| 54 | H | 37.7 | Very low | 34.4 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.676 | 79% | 0.791 | S | S | * | * | trans | -130.4 | 79.4 | 174.5 | -132.6 | 42 | 0 | 0 | 0 | 110.4 | H56 | H54-H56 AromaticContact CD2-CD2 3.86Å; H54-H56 AromaticContact CD2-CE1 3.41Å; H54-H56 PolarHBondContact CD2-CE1 2.66Å; H54-H56 VanDerWaalsContact CD2-CE1 3.41Å; H54-H56 AromaticContact CD2-NE2 3.07Å; H54-H56 PolarHBondContact CD2-NE2 3.34Å; H54-H56 AromaticContact NE2-CE1 3.42Å; H54-H56 PolarHBondContact NE2-CE1 3.1Å; H54-H56 AromaticContact NE2-NE2 3.63Å | ||
| 55 | A | 32.6 | Very low | 33.6 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -79.9 | 111.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q57 | A55-Q57 PolarHBondContact O-N 3.31Š| ||
| 56 | H | 43.2 | Very low | 33.4 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -77.5 | 118.8 | 176.3 | -80 | -85 | 0 | 0 | 0 | 111.3 | H54 | H54-H56 AromaticContact CD2-CD2 3.86Å; H54-H56 AromaticContact CD2-CE1 3.41Å; H54-H56 PolarHBondContact CD2-CE1 2.66Å; H54-H56 VanDerWaalsContact CD2-CE1 3.41Å; H54-H56 AromaticContact CD2-NE2 3.07Å; H54-H56 PolarHBondContact CD2-NE2 3.34Å; H54-H56 AromaticContact NE2-CE1 3.42Å; H54-H56 PolarHBondContact NE2-CE1 3.1Å; H54-H56 AromaticContact NE2-NE2 3.63Å | ||
| 57 | Q | 35.3 | Very low | 33.4 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 131.4 | 173 | -60.9 | 163 | 28.1 | 0 | 0 | 110 | A55 | A55-Q57 PolarHBondContact O-N 3.31Š| ||
| 58 | W | 34 | Very low | 33.7 | Very low | 230 Ų | 230 | 141.5 Ų | 141.5 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -118.1 | 85.5 | 170.3 | 58.4 | -83.8 | 0 | 0 | 0 | 109.4 | ||||
| 59 | I | 39.2 | Very low | 34.4 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | -141.8 | 112.4 | 167.8 | -66 | -170 | 0 | 0 | 0 | 110.9 | ||||
| 60 | T | 34.6 | Very low | 34.8 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | 64.6 | 111.6 | 138.6 | -45 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 61 | A | 30.3 | Very low | 34.5 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -143.4 | 99.9 | 141 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 62 | L | 35.5 | Very low | 34.5 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -131 | 109.8 | 150.2 | -76.8 | 177.9 | 0 | 0 | 0 | 106.4 | ||||
| 63 | S | 30.5 | Very low | 34.5 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -150.1 | 134.2 | 146.2 | -155.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 64 | H | 36.3 | Very low | 35.2 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 89% | 0.889 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 157.9 | -175.3 | -82.8 | -111.8 | 0 | 0 | 0 | 112.8 | ||||
| 65 | G | 28 | Very low | 35 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 173.6 | 90.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 66 | E | 29.2 | Very low | 34.9 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | 52 | 129.2 | 150.1 | -75.6 | -170.9 | 101.2 | 0 | 0 | 123.4 | ||||
| 67 | G | 30.7 | Very low | 34.4 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | 96.4 | 87 | 128 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 68 | T | 37.3 | Very low | 34.3 | Very low | 132 Ų | 132 | 137 Ų | 137 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -70 | 163.3 | 144.8 | 27.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 69 | P | 45.2 | Very low | 34.3 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | cis | -142.7 | 151.3 | 27.6 | 26.2 | -0 | 0 | 0 | 0 | 118.8 | ||||
| 70 | W | 38.8 | Very low | 33.9 | Very low | 223 Ų | 223 | 133.8 Ų | 133.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -10.2 | 129.6 | 146.5 | 52.9 | -66.1 | 0 | 0 | 0 | 119.7 | ||||
| 71 | S | 27.8 | Very low | 34 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -174.3 | 151.8 | 149.2 | -82.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 72 | S | 32.4 | Very low | 34.2 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | cis | -172.7 | 135.7 | -22.6 | -83.4 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 73 | S | 32.5 | Very low | 34.4 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -81.4 | 149.6 | 170.8 | -59.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 74 | P | 49 | Very low | 34.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -98.3 | 135.2 | 174.1 | 35.3 | -28 | 0 | 0 | 0 | 113.5 | ||||
| 75 | I | 32.3 | Very low | 34.2 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | 45.3 | 126.9 | 130.7 | -82.9 | 162.4 | 0 | 0 | 0 | 121.1 | ||||
| 76 | G | 30 | Very low | 34.6 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -161.7 | 119.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 77 | A | 32.5 | Very low | 34.6 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -78.4 | 154.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 78 | E | 33.5 | Very low | 34.7 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | -179.4 | 124.8 | 126.4 | -97.2 | -165.2 | 107.6 | 0 | 0 | 113.6 | |||||
| 79 | Q | 34.8 | Very low | 34.6 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 64.8 | 141.3 | 136.9 | -57.1 | -170.8 | 16.7 | 0 | 0 | 124.6 | ||||
| 80 | D | 31.5 | Very low | 34.1 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -83.6 | 154.3 | -165.8 | -169.8 | -96.6 | 0 | 0 | 0 | 113.5 | ||||
| 81 | I | 36.6 | Very low | 33.9 | Very low | 161 Ų | 161 | 140 Ų | 140 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 173.7 | 119.3 | 133.6 | -80.9 | 148.4 | 0 | 0 | 0 | 109.1 | ||||
| 82 | K | 34.7 | Very low | 34.1 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -88.9 | 157 | 169.9 | -93.9 | 177.2 | 176.8 | 172.2 | 0 | 111.1 | ||||
| 83 | P | 38.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | -139.4 | 131.3 | 89.5 | 28.1 | -8.9 | 0 | 0 | 0 | 112.6 | |||||
| 84 | A | 30.5 | Very low | 34.1 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | 67.4 | 98.7 | 80.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 85 | V | 33 | Very low | 33.2 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -143.2 | 116.2 | 138.7 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 86 | Q | 35.4 | Very low | 33.1 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -92.9 | 144.8 | 168.3 | -75.6 | 171.2 | -22.7 | 0 | 0 | 109.4 | ||||
| 87 | S | 29.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -147.4 | 94.7 | 149.3 | -166.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 88 | A | 32.6 | Very low | 33 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | 80 | 128.1 | 89.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 89 | R | 36.3 | Very low | 33.2 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -112.7 | 138.6 | -160.9 | 175.1 | -164.3 | -171 | 178.1 | 3.9 | 107 | E91 | R89-E91 IonicContact CZ-OE2 3.4Å; R89-E91 IonicContact NE-OE2 2.72Å; R89-E91 PolarHBondContact NE-OE2 3.15Å; R89-E91 VanDerWaalsContact NE-OE2 3.15Å; R89-E91 IonicContact NH2-OE2 2.78Å; R89-E91 PolarHBondContact NH2-OE2 3.45Å | ||
| 90 | E | 33.1 | Very low | 33.3 | Very low | 203 Ų | 203 | 144.7 Ų | 144.7 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | trans | -140.2 | 103.4 | 152.4 | -87.6 | -174.5 | 143 | 0 | 0 | 109.6 | ||||
| 91 | E | 34.4 | Very low | 33.3 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 61% | 0.612 | 80% | 0.795 | S | S | * | * | trans | -88.2 | 138.5 | 155.3 | -88.7 | 170.6 | 102.2 | 0 | 0 | 107.4 | R89 | R89-E91 IonicContact CZ-OE2 3.4Å; R89-E91 IonicContact NE-OE2 2.72Å; R89-E91 PolarHBondContact NE-OE2 3.15Å; R89-E91 VanDerWaalsContact NE-OE2 3.15Å; R89-E91 IonicContact NH2-OE2 2.78Å; R89-E91 PolarHBondContact NH2-OE2 3.45Å | ||
| 92 | M | 32.9 | Very low | 33 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | -129 | 118.3 | 153.9 | -164.3 | 156.5 | 67.6 | 0 | 0 | 110 | ||||
| 93 | H | 36.5 | Very low | 32.8 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | -50.6 | 152.9 | 167.8 | -65 | 120.9 | 0 | 0 | 0 | 112.5 | ||||
| 94 | N | 27.7 | Very low | 32.6 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 165.9 | 139.1 | 81.3 | -155.1 | 29.2 | 0 | 0 | 0 | 113.6 | |||||
| 95 | S | 30.4 | Very low | 33.2 | Very low | 84 Ų | 84 | 148 Ų | 148 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | trans | 55 | 118.5 | 148.7 | -56.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 96 | S | 30.2 | Very low | 34.4 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 72.5 | 115.1 | 60.9 | -56.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 97 | S | 30 | Very low | 34.3 | Very low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | 162.1 | 107.5 | 145.3 | -69.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 98 | S | 30.6 | Very low | 34.6 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | 92.2 | 110.5 | 74.5 | -178.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 99 | L | 37.7 | Very low | 34.7 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | 49.3 | 123.7 | 137.7 | -73.8 | 133.4 | 0 | 0 | 0 | 122.6 | ||||
| 100 | Q | 36.1 | Very low | 34.7 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | 166.1 | 114.5 | 124.8 | -91.9 | 166.7 | 11.8 | 0 | 0 | 109.5 | |||||
| 101 | H | 32.7 | Very low | 34.5 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | 82 | 130 | 81.1 | -151.1 | -132.4 | 0 | 0 | 0 | 115.1 | |||||
| 102 | Q | 31 | Very low | 34.5 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 76.2 | 140.6 | 156.9 | -103.8 | -179.1 | 86.9 | 0 | 0 | 117.2 | ||||
| 103 | S | 29.8 | Very low | 34.5 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | -166 | 153.5 | 20.1 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 104 | R | 33.9 | Very low | 34.2 | Very low | 237 Ų | 237 | 136.7 Ų | 136.7 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | trans | -71.5 | 173.2 | 151.4 | -126 | -176.2 | 164 | -162 | -3.1 | 109 | ||||
| 105 | P | 43.7 | Very low | 34.3 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | cis | -150.7 | -142 | 28.2 | 38.4 | -10.4 | 0 | 0 | 0 | 113.8 | ||||
| 106 | P | 58 | Low | 34.4 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | -131 | 175.3 | -60.1 | 31.8 | -11.2 | 0 | 0 | 0 | 117.4 | |||||
| 107 | H | 32.8 | Very low | 34.6 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | 65.6 | 126.5 | 144.4 | -140.8 | -105.3 | 0 | 0 | 0 | 123.3 | ||||
| 108 | L | 35.7 | Very low | 34.7 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | -164.3 | 132.9 | 112.4 | -152.9 | 67.2 | 0 | 0 | 0 | 113.2 | |||||
| 109 | V | 34.5 | Very low | 34.7 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 54% | 0.539 | 75% | 0.749 | S | S | . | * | trans | -80.4 | 144.7 | 173.8 | 165.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 110 | H | 36.2 | Very low | 34.5 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | trans | -151.6 | 136.8 | 142.2 | -111.4 | -167 | 0 | 0 | 0 | 112.1 | ||||
| 111 | Q | 30.4 | Very low | 34.3 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -123.7 | 134.8 | -177.2 | 170.9 | 172.2 | 22.7 | 0 | 0 | 106.7 | ||||
| 112 | A | 33.2 | Very low | 34.4 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | 176.3 | 117.6 | 142.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 113 | H | 33 | Very low | 34.4 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | 55.2 | 130.2 | 128.5 | -55.2 | 117.7 | 0 | 0 | 0 | 124.1 | |||||
| 114 | G | 29.9 | Very low | 34.7 | Very low | 66 Ų | 66 | 150.8 Ų | 150.8 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | 135.9 | 102 | 129.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 115 | N | 31 | Very low | 34.6 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | 34.5 | 142.8 | 128.9 | -78.7 | 42 | 0 | 0 | 0 | 120.1 | |||||
| 116 | H | 32.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 63% | 0.634 | 77% | 0.769 | S | S | * | * | cis | -179.3 | 165.2 | 10 | -157.3 | -57.7 | 0 | 0 | 0 | 107.5 | ||||
| 117 | H | 33.1 | Very low | 33 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | 77.6 | 140.6 | 165.5 | -57.4 | -75.5 | 0 | 0 | 0 | 117.3 | ||||
| 118 | D | 32.4 | Very low | 33.1 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | cis | -158.6 | 160 | 17 | -125.6 | -39.8 | 0 | 0 | 0 | 111.8 | ||||
| 119 | A | 31.4 | Very low | 33.1 | Very low | 82 Ų | 82 | 143.6 Ų | 143.6 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -89.7 | 136 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 120 | R | 33.4 | Very low | 33.4 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | 173.1 | 114.6 | 143.1 | -100.5 | 161 | 173.9 | -179.4 | -1.5 | 110.5 | ||||
| 121 | A | 32.1 | Very low | 34 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 84 | 95.9 | 93.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 122 | W | 35.2 | Very low | 34 | Very low | 258 Ų | 258 | 140.6 Ų | 140.6 | 98% | 0.977 | 78% | 0.777 | S | S | * | * | trans | -109.7 | 98.5 | 163.4 | -62 | -20.4 | 0 | 0 | 0 | 109.1 | ||||
| 123 | R | 30.8 | Very low | 34 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -97.9 | 143.6 | 154.1 | -77.2 | -172.9 | 177.7 | -97.9 | 2.3 | 108.6 | ||||
| 124 | T | 34.6 | Very low | 34 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -52.3 | 141.1 | 176.5 | 43.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 125 | T | 31.9 | Very low | 34.1 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | 178.7 | 133.6 | 112.4 | 32.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 126 | T | 36.9 | Very low | 34.2 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | 54.1 | 138.2 | 143 | 59.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 127 | A | 31.3 | Very low | 34.4 | Very low | 79 Ų | 79 | 144.1 Ų | 144.1 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | trans | 94.1 | 92.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | H129 | A127-H129 PolarHBondContact O-CE1 3.11Å; A127-H129 VanDerWaalsContact O-CE1 3.31Å | ||
| 128 | A | 35.1 | Very low | 34.4 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 32.9 | 110.2 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 129 | H | 36 | Very low | 34.5 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -155.3 | 133.9 | 141.8 | 4.7 | -78.9 | 0 | 0 | 0 | 111.5 | A127 | A127-H129 PolarHBondContact O-CE1 3.11Å; A127-H129 VanDerWaalsContact O-CE1 3.31Å | ||
| 130 | I | 41.9 | Very low | 34.5 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -80.7 | 151.8 | 171.8 | -64.6 | 179.9 | 0 | 0 | 0 | 109.1 | ||||
| 131 | P | 48.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -124.5 | 130 | 141.7 | 30.9 | -17.5 | 0 | 0 | 0 | 113.2 | ||||
| 132 | S | 29 | Very low | 34.8 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 140.6 | 160.8 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 133 | M | 32.8 | Very low | 34.4 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -131.7 | 112.5 | 175.3 | 51.6 | -152.1 | 154.2 | 0 | 0 | 109.3 | ||||
| 134 | A | 33 | Very low | 34.4 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -119.7 | 131.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 135 | T | 33.5 | Very low | 34.3 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 59 | 120.7 | 151.1 | 72.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 136 | T | 32.8 | Very low | 35 | Very low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -127 | 157.5 | 157.2 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 137 | N | 36.1 | Very low | 34.6 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 89.3 | 106 | -177.9 | -64.5 | 8.6 | 0 | 0 | 0 | 114 | ||||
| 138 | G | 33.4 | Very low | 35 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | 92 | 103.7 | 18.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 139 | Q | 35.2 | Very low | 34.9 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | 167.3 | 138.6 | 122.2 | -85.1 | -165.4 | -1.2 | 0 | 0 | 112.4 | |||||
| 140 | S | 30.2 | Very low | 35 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -118.8 | 133.7 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 141 | L | 36.7 | Very low | 34.7 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -143.9 | 111.8 | 167.7 | -108.2 | 105.1 | 0 | 0 | 0 | 111.6 | ||||
| 142 | I | 34.6 | Very low | 34 | Very low | 153 Ų | 153 | 133 Ų | 133 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 7.6 | 132.1 | 141.6 | -52.3 | -170.8 | 0 | 0 | 0 | 119.3 | ||||
| 143 | Y | 27.9 | Very low | 34.3 | Very low | 211 Ų | 211 | 136 Ų | 136 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | 161.1 | 130.8 | 118.5 | -166.8 | -108.7 | 0 | 0 | 0 | 115.8 | |||||
| 144 | S | 30.4 | Very low | 34.6 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 54% | 0.538 | 79% | 0.791 | S | S | . | * | trans | 52 | 118.4 | 154.5 | -73.6 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 145 | Q | 32.6 | Very low | 35.4 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | 38.9 | 167.3 | 127.5 | -74.6 | -76.2 | 26.8 | 0 | 0 | 122.8 | |||||
| 146 | P | 45.9 | Very low | 35.3 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -133.1 | 171.5 | -29.7 | 36.8 | -20.4 | 0 | 0 | 0 | 114.5 | ||||
| 147 | G | 29 | Very low | 35.5 | Very low | 61 Ų | 61 | 132.4 Ų | 132.4 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | trans | 116.3 | 137 | 137.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 148 | F | 39.5 | Very low | 35.5 | Very low | 222 Ų | 222 | 128 Ų | 128 | 97% | 0.974 | 78% | 0.783 | S | S | * | * | trans | 76.2 | 121.1 | 172.9 | -55 | -81.7 | 0 | 0 | 0 | 115.8 | ||||
| 149 | G | 33.3 | Very low | 35.5 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | cis | 120.7 | 101.9 | 13.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 150 | V | 38.4 | Very low | 35.3 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 161.6 | 133.2 | 128.8 | 107.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 151 | N | 36.3 | Very low | 35.5 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | 17.7 | 141.1 | 153.9 | -66.5 | 15.3 | 0 | 0 | 0 | 121.2 | ||||
| 152 | G | 32.9 | Very low | 35.3 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | 170.1 | 179.4 | 10.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 153 | L | 36.1 | Very low | 35.2 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | 80.3 | 85.8 | 164.6 | -91.6 | 72 | 0 | 0 | 0 | 121.2 | ||||
| 154 | I | 39 | Very low | 35.5 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | -18.5 | 164.1 | 124.6 | -63.1 | -75.9 | 0 | 0 | 0 | 116.3 | |||||
| 155 | P | 48.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -125.9 | 158 | -0.8 | 19 | 4.4 | 0 | 0 | 0 | 114.7 | ||||
| 156 | G | 32.9 | Very low | 35.8 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 108.5 | 147.7 | 91.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 157 | S | 37.6 | Very low | 35.1 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | cis | -175.6 | 147.4 | 15.6 | 44.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 158 | G | 34.3 | Very low | 35.2 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 58.3 | 111.9 | 142 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 159 | Q | 33.7 | Very low | 35 | Very low | 206 Ų | 206 | 131.6 Ų | 131.6 | 96% | 0.963 | 77% | 0.769 | S | S | * | * | 65.8 | 129.6 | 78.4 | -75.2 | -164.9 | -16.5 | 0 | 0 | 116.3 | |||||
| 160 | G | 31.7 | Very low | 35.2 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 95.5 | 108.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 161 | M | 33.6 | Very low | 35.1 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | 88.1 | 118.6 | 69.1 | -86.4 | -39.1 | -159.6 | 0 | 0 | 115.7 | |||||
| 162 | H | 33.5 | Very low | 34.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | trans | 74.1 | 116.4 | 145.2 | -58.8 | -65.2 | 0 | 0 | 0 | 122.9 | ||||
| 163 | H | 32.2 | Very low | 35.2 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | 65.5 | 124.8 | 127.4 | -89.5 | -99.6 | 0 | 0 | 0 | 124.5 | |||||
| 164 | H | 34.6 | Very low | 35.1 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | 106.5 | 115.6 | 130.6 | -106 | -46.7 | 0 | 0 | 0 | 122.9 | ||||
| 165 | N | 29.7 | Very low | 34.8 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | 59.5 | 119.2 | 144.3 | -76.9 | 6.2 | 0 | 0 | 0 | 122.7 | ||||
| 166 | L | 38.2 | Very low | 35.3 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | -175.7 | 134.9 | 101.7 | -136.8 | 66.8 | 0 | 0 | 0 | 112.6 | |||||
| 167 | R | 32.9 | Very low | 35.3 | Very low | 226 Ų | 226 | 143.6 Ų | 143.6 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 9.3 | 136.3 | 144.4 | -154.4 | 64.4 | 144.1 | -145.4 | -10.1 | 118.3 | ||||
| 168 | D | 30.4 | Very low | 35.4 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | -171.8 | 148.9 | 55.2 | -159.9 | 56 | 0 | 0 | 0 | 113.9 | |||||
| 169 | S | 34.4 | Very low | 35.5 | Very low | 80 Ų | 80 | 146 Ų | 146 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | trans | 46.1 | 127.2 | 149.4 | -55.1 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 170 | H | 38.8 | Very low | 35.3 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | 173.9 | 111 | 116.4 | -88.7 | -70 | 0 | 0 | 0 | 109 | |||||
| 171 | E | 35.1 | Very low | 35.6 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | 53.9 | 125.5 | 103.9 | -66.7 | -178.3 | 129.8 | 0 | 0 | 113.7 | |||||
| 172 | D | 32.8 | Very low | 35.4 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | cis | -160.7 | 157 | 15.9 | -115.5 | -49.4 | 0 | 0 | 0 | 110.3 | ||||
| 173 | H | 38.2 | Very low | 35.7 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -84.3 | 158.2 | 175.8 | -78.1 | -30.8 | 0 | 0 | 0 | 111.6 | ||||
| 174 | H | 34.5 | Very low | 36.4 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | -177.1 | 157.7 | 75.3 | -82 | -75.4 | 0 | 0 | 0 | 113.8 | |||||
| 175 | S | 33.1 | Very low | 36.5 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -88.5 | -175.8 | 178.9 | -118.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 176 | P | 59.8 | Low | 36.7 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -97.5 | 168.6 | -150.1 | 39.9 | -37.7 | 0 | 0 | 0 | 115.5 | ||||
| 177 | H | 33.1 | Very low | 36.9 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -150.2 | 144.2 | 160.8 | -170.2 | -93.4 | 0 | 0 | 0 | 113.3 | ||||
| 178 | L | 38.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | -70.8 | 166.1 | -177.7 | -77.2 | 81.8 | 0 | 0 | 0 | 114.5 | ||||
| 179 | S | 36.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 115.9 | 125.9 | 131.3 | -67.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 180 | E | 30.6 | Very low | 37.6 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | 88.2 | 112.6 | 129.3 | -155.5 | 86.1 | 119.1 | 0 | 0 | 120 | |||||
| 181 | H | 37.6 | Very low | 37.5 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | 76 | 130.5 | 141.2 | -75.7 | 45.5 | 0 | 0 | 0 | 122.6 | ||||
| 182 | G | 28.6 | Very low | 37.6 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 132.5 | 101.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 183 | H | 39.2 | Very low | 37.7 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -61 | 160 | 156.2 | -66.4 | -66.8 | 0 | 0 | 0 | 110.3 | ||||
| 184 | P | 48.6 | Very low | 37.8 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | cis | -153.3 | 173.3 | 44.7 | 39.1 | -15.3 | 0 | 0 | 0 | 119.6 | ||||
| 185 | A | 36 | Very low | 38 | Very low | 93 Ų | 93 | 150 Ų | 150 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 55 | 116.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 186 | S | 33.1 | Very low | 38.2 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | -166.1 | 101.9 | 128.1 | -78.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 187 | Q | 43.7 | Very low | 37.3 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | 42 | 100.8 | 127.4 | -157.7 | 170.7 | 0.5 | 0 | 0 | 118.2 | |||||
| 188 | H | 37.4 | Very low | 37.7 | Very low | 200 Ų | 200 | 150.8 Ų | 150.8 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | -145.9 | 137.1 | 139.4 | -101.8 | -69.4 | 0 | 0 | 0 | 112.4 | ||||
| 189 | Q | 37.7 | Very low | 37.7 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 142.6 | -165.3 | -168.6 | 161.4 | 31.2 | 0 | 0 | 112.2 | ||||
| 190 | H | 36.4 | Very low | 38.2 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | trans | -13.6 | 134 | 169.9 | -57.5 | -73.4 | 0 | 0 | 0 | 120.3 | H192 | H190-H192 AromaticContact CE1-NE2 3.73Å; H190-H192 AromaticContact ND1-CD2 3.42Å; H190-H192 PolarHBondContact ND1-CD2 3.43Å; H190-H192 AromaticContact ND1-NE2 3.12Å; H190-H192 PolarHBondContact ND1-NE2 3.37Å; H190-H192 VanDerWaalsContact ND1-NE2 3.12Å | ||
| 191 | Q | 37.4 | Very low | 38.9 | Very low | 199 Ų | 199 | 150 Ų | 150 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | -147.2 | 104.4 | 121.6 | -106.4 | 170.5 | 32.7 | 0 | 0 | 109.5 | |||||
| 192 | H | 36 | Very low | 39.2 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -75.9 | 122.7 | 175.1 | -71.5 | -85 | 0 | 0 | 0 | 110.2 | H190 | H190-H192 AromaticContact CE1-NE2 3.73Å; H190-H192 AromaticContact ND1-CD2 3.42Å; H190-H192 PolarHBondContact ND1-CD2 3.43Å; H190-H192 AromaticContact ND1-NE2 3.12Å; H190-H192 PolarHBondContact ND1-NE2 3.37Å; H190-H192 VanDerWaalsContact ND1-NE2 3.12Å | ||
| 193 | R | 35.1 | Very low | 40.2 | Very low | 212 Ų | 212 | 154.7 Ų | 154.7 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -127.6 | 123.4 | 158.4 | -175.2 | 173.8 | 150.7 | -153.7 | -7.3 | 105.9 | Q195 | R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 2.98Å | ||
| 194 | P | 40.4 | Very low | 41.3 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -76.8 | 91.1 | -177.2 | 30.6 | -29.9 | 0 | 0 | 0 | 107.7 | S196 | P194-S196 PolarHBondContact O-N 2.95Š| ||
| 195 | Q | 39.1 | Very low | 42.1 | Very low | 158 Ų | 158 | 152.4 Ų | 152.4 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -79.1 | 107.5 | 166.4 | -153.6 | 164.4 | 4.2 | 0 | 0 | 105.6 | R193 H197 | R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 2.98Å; Q195-H197 PolarHBondContact O-N 3.38Å | ||
| 196 | S | 38.2 | Very low | 43.9 | Very low | 93 Ų | 93 | 149.7 Ų | 149.7 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | -51 | 115.7 | 172.4 | 60.3 | 0 | 0 | 0 | 0 | 108.1 | P194 H198 | P194-S196 PolarHBondContact O-N 2.95Å; S196-H198 PolarHBondContact O-N 3.03Å | ||
| 197 | H | 40.2 | Very low | 46.4 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -58.4 | 93.9 | 161.1 | -80.4 | -89.6 | 0 | 0 | 0 | 106.9 | Q195 D199 | Q195-H197 PolarHBondContact O-N 3.38Å; H197-D199 PolarHBondContact O-N 3.5Å; H197-D199 VanDerWaalsContact O-N 3.08Å | ||
| 198 | H | 42.5 | Very low | 48.5 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | trans | -70.8 | 96.2 | 156.9 | -113.4 | 54.8 | 0 | 0 | 0 | 105 | S196 H200 | S196-H198 PolarHBondContact O-N 3.03Å; H198-H200 VanDerWaalsContact C-N 3.27Å; H198-H200 PolarHBondContact O-CD2 3.41Å; H198-H200 PolarHBondContact O-N 3.29Å | ||
| 199 | D | 37.6 | Very low | 51 | Low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | trans | -53.5 | 94.6 | 162.7 | -171.1 | -3.8 | 0 | 0 | 0 | 107.6 | H197 S201 | H197-D199 PolarHBondContact O-N 3.5Å; H197-D199 VanDerWaalsContact O-N 3.08Å; D199-S201 PolarHBondContact O-N 3.49Å; D199-S201 WeakPolarHBondContact OD1-CB 3.5Å; D199-S201 PolarHBondContact OD1-OG 2.91Å | ||
| 200 | H | 46.3 | Very low | 53.7 | Low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.815 | 68% | 0.682 | S | S | * | * | trans | -75 | 74.9 | 168.1 | -74.5 | -70.9 | 0 | 0 | 0 | 107.7 | H198 | H198-H200 VanDerWaalsContact C-N 3.27Å; H198-H200 PolarHBondContact O-CD2 3.41Å; H198-H200 PolarHBondContact O-N 3.29Å | ||
| 201 | S | 45.4 | Very low | 56.4 | Low | 76 Ų | 76 | 126 Ų | 126 | 53% | 0.531 | 65% | 0.652 | S | S | . | * | trans | -107.2 | 116.2 | 173.6 | -85.6 | 0 | 0 | 0 | 0 | 110.7 | D199 E203 | D199-S201 PolarHBondContact O-N 3.49Å; D199-S201 WeakPolarHBondContact OD1-CB 3.5Å; D199-S201 PolarHBondContact OD1-OG 2.91Å; S201-E203 PolarHBondContact O-N 3.2Å | ||
| 202 | D | 44.4 | Very low | 59.2 | Low | 159 Ų | 159 | 119.9 Ų | 119.9 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | trans | 60.9 | 34.4 | 153.2 | -82.2 | -44.9 | 0 | 0 | 0 | 119.7 | D204 | D202-D204 VanDerWaalsContact C-N 3.33Å; D202-D204 PolarHBondContact O-N 3.35Å | ||
| 203 | E | 49.9 | Very low | 62 | Low | 189 Ų | 189 | 117.8 Ų | 117.8 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 56.8 | -178.3 | -154.8 | -135.3 | 135.7 | 0 | 0 | 115 | S201 | S201-E203 PolarHBondContact O-N 3.2Š|
| 204 | D | 61.9 | Low | 65 | Low | 161 Ų | 161 | 108.2 Ų | 108.2 | 86% | 0.861 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -3.8 | 173.1 | -105.9 | -41.7 | 0 | 0 | 0 | 113.7 | D202 | D202-D204 VanDerWaalsContact C-N 3.33Å; D202-D204 PolarHBondContact O-N 3.35Å |
| 205 | T | 65.3 | Low | 67.7 | Low | 105 Ų | 105 | 102 Ų | 102 | 64% | 0.644 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -105.6 | 112.3 | 177.7 | -41.7 | 0 | 0 | 0 | 0 | 110 | T207 | T205-T207 PolarHBondContact O-N 3.24Š|
| 206 | P | 73.9 | Confident | 70.4 | Confident | 35 Ų | 35 | 100.5 Ų | 100.5 | 23% | 0.227 | 53% | 0.529 | C | S | . | . | trans | -60.7 | 130.2 | -179.7 | 22 | -30.9 | 0 | 0 | 0 | 110.1 | D210 F259 K266 | P206-D210 HydrophobicContact CB-CB 4.3Å; P206-F259 WeakPolarHBondContact O-CZ 3.24Å; P206-K266 HydrophobicContact CB-CD 4.11Å; P206-K266 HydrophobicContact CG-CD 4.23Å | ||
| 207 | T | 86.1 | Confident | 73.2 | Confident | 72 Ų | 72 | 99.9 Ų | 99.9 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | trans | -70.8 | 167.1 | 179.2 | 68.4 | 0 | 0 | 0 | 0 | 111 | T205 D209 D210 L211 | T205-T207 PolarHBondContact O-N 3.24Å; T207-D209 PolarHBondContact O-N 3.1Å; T207-D210 WeakPolarHBondContact CB-OD2 3.4Å; T207-D210 PolarHBondContact N-OD2 2.87Å; T207-D210 PolarHBondContact O-N 2.9Å; T207-D210 PolarHBondContact OG1-N 3.41Å; T207-D210 PolarHBondContact OG1-OD1 2.98Å; T207-D210 PolarHBondContact OG1-OD2 3.33Å; T207-L211 PolarHBondContact O-N 3.02Å; T207-L211 VanDerWaalsContact O-N 3.16Å | ||
| 208 | S | 87.6 | Confident | 75.9 | Confident | 79 Ų | 79 | 91 Ų | 91 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.5 | -40 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | L211 E212 | S208-L211 PolarHBondContact O-N 2.93Å; S208-E212 PolarHBondContact O-N 3.33Å; S208-E212 VanDerWaalsContact O-N 3.12Å |
| 209 | D | 90.3 | Very high | 78.5 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | -179.2 | -63 | -21.1 | 0 | 0 | 0 | 111.3 | T207 L211 E212 Q213 | T207-D209 PolarHBondContact O-N 3.1Å; D209-L211 VanDerWaalsContact C-N 3.26Å; D209-L211 PolarHBondContact O-N 3.39Å; D209-E212 PolarHBondContact O-N 3.46Å; D209-Q213 WeakPolarHBondContact O-CG 3.39Å; D209-Q213 PolarHBondContact O-N 3.18Å |
| 210 | D | 93.1 | Very high | 81.3 | Confident | 60 Ų | 60 | 89.1 Ų | 89.1 | 32% | 0.321 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -32.3 | 175.4 | -58.7 | -35.3 | 0 | 0 | 0 | 112.5 | P206 T207 F214 K266 | P206-D210 HydrophobicContact CB-CB 4.3Å; T207-D210 WeakPolarHBondContact CB-OD2 3.4Å; T207-D210 PolarHBondContact N-OD2 2.87Å; T207-D210 PolarHBondContact O-N 2.9Å; T207-D210 PolarHBondContact OG1-N 3.41Å; T207-D210 PolarHBondContact OG1-OD1 2.98Å; T207-D210 PolarHBondContact OG1-OD2 3.33Å; D210-F214 WeakPolarHBondContact O-CB 3.45Å; D210-F214 PolarHBondContact O-N 2.82Å; D210-K266 PolarHBondContact O-NZ 3.35Å |
| 211 | L | 94 | Very high | 83.6 | Confident | 5 Ų | 5 | 84.6 Ų | 84.6 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -72.1 | -38.6 | 175.2 | -77.4 | 170.6 | 0 | 0 | 0 | 111.7 | T207 S208 D209 A215 F259 M262 K266 | T207-L211 PolarHBondContact O-N 3.02Å; T207-L211 VanDerWaalsContact O-N 3.16Å; S208-L211 PolarHBondContact O-N 2.93Å; D209-L211 VanDerWaalsContact C-N 3.26Å; D209-L211 PolarHBondContact O-N 3.39Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.04Å; L211-F259 HydrophobicContact CD1-CD2 3.66Å; L211-F259 HydrophobicContact CD1-CE2 3.48Å; L211-F259 VanDerWaalsContact CD1-CE2 3.48Å; L211-F259 HydrophobicContact CD1-CZ 4.32Å; L211-M262 HydrophobicContact CD1-CB 3.76Å; L211-M262 HydrophobicContact CD2-CB 4.03Å; L211-M262 HydrophobicContact CG-CB 4.48Å; L211-K266 HydrophobicContact CD2-CB 4.03Å; L211-K266 HydrophobicContact CD2-CD 3.8Å; L211-K266 HydrophobicContact CD2-CG 4.28Å |
| 212 | E | 95.3 | Very high | 86 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 175.2 | 174.5 | 165.5 | 175.1 | 0 | 0 | 111.7 | S208 D209 F214 A215 K216 L255 | S208-E212 PolarHBondContact O-N 3.33Å; S208-E212 VanDerWaalsContact O-N 3.12Å; D209-E212 PolarHBondContact O-N 3.46Å; E212-F214 VanDerWaalsContact C-N 3.35Å; E212-F214 PolarHBondContact O-N 2.99Å; E212-A215 PolarHBondContact O-N 3.35Å; E212-K216 HydrophobicContact CG-CD 4.19Å; E212-K216 WeakPolarHBondContact O-CG 3.36Å; E212-K216 PolarHBondContact O-N 3.2Å; E212-K216 WeakPolarHBondContact OE1-CE 3.36Å; E212-K216 IonicContact OE1-NZ 3.44Å; E212-K216 PolarHBondContact OE1-NZ 3.41Å; E212-L255 HydrophobicContact CB-CD1 3.85Å; E212-L255 HydrophobicContact CG-CD1 3.81Å |
| 213 | Q | 96.3 | Very high | 88.3 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.4 | -46.3 | 176.6 | -68.9 | 175.5 | 43.1 | 0 | 0 | 111.1 | D209 A215 K216 Q217 | D209-Q213 WeakPolarHBondContact O-CG 3.39Å; D209-Q213 PolarHBondContact O-N 3.18Å; Q213-A215 PolarHBondContact O-N 2.88Å; Q213-K216 PolarHBondContact O-N 3.42Å; Q213-Q217 WeakPolarHBondContact O-CB 3.22Å; Q213-Q217 PolarHBondContact O-N 2.81Å |
| 214 | F | 97 | Very high | 90.3 | Very high | 12 Ų | 12 | 78.8 Ų | 78.8 | 5% | 0.053 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 177.5 | 177.6 | -96.3 | 0 | 0 | 0 | 112 | D210 E212 K216 Q217 F218 F252 K266 L269 N270 | D210-F214 WeakPolarHBondContact O-CB 3.45Å; D210-F214 PolarHBondContact O-N 2.82Å; E212-F214 VanDerWaalsContact C-N 3.35Å; E212-F214 PolarHBondContact O-N 2.99Å; F214-K216 VanDerWaalsContact C-N 3.32Å; F214-K216 PolarHBondContact O-N 3.07Å; F214-Q217 PolarHBondContact O-N 3.04Å; F214-F218 HydrophobicContact CE1-CB 4.19Å; F214-F218 HydrophobicContact CE1-CD2 4.47Å; F214-F218 HydrophobicContact CE1-CG 4.46Å; F214-F218 HydrophobicContact CZ-CB 4.27Å; F214-F218 HydrophobicContact CZ-CD2 4.15Å; F214-F218 WeakPolarHBondContact O-CB 3.2Å; F214-F218 PolarHBondContact O-N 3.37Å; F214-F252 AromaticContact CD1-CE1 3.71Å; F214-F252 HydrophobicContact CD1-CE1 3.71Å; F214-F252 AromaticContact CD1-CZ 3.55Å; F214-F252 HydrophobicContact CD1-CZ 3.55Å; F214-F252 AromaticContact CE1-CE1 3.56Å; F214-F252 HydrophobicContact CE1-CE1 3.56Å; F214-F252 AromaticContact CE1-CZ 3.48Å; F214-F252 HydrophobicContact CE1-CZ 3.48Å; F214-F252 VanDerWaalsContact CE1-CZ 3.48Å; F214-K266 HydrophobicContact CD1-CG 3.84Å; F214-K266 HydrophobicContact CD2-CG 4.37Å; F214-K266 HydrophobicContact CE1-CB 4.47Å; F214-K266 HydrophobicContact CE1-CG 4.01Å; F214-K266 HydrophobicContact CG-CD 4.46Å; F214-K266 HydrophobicContact CG-CG 4.03Å; F214-K266 HydrophobicContact CZ-CG 4.35Å; F214-L269 HydrophobicContact CE1-CB 3.96Å; F214-L269 HydrophobicContact CZ-CB 3.87Å; F214-N270 HydrophobicContact CE2-CB 3.72Å; F214-N270 WeakPolarHBondContact CE2-OD1 3.43Å; F214-N270 HydrophobicContact CZ-CB 3.92Å |
| 215 | A | 97.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L211 E212 Q213 K219 F252 L255 | L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.04Å; E212-A215 PolarHBondContact O-N 3.35Å; Q213-A215 PolarHBondContact O-N 2.88Å; A215-K219 WeakPolarHBondContact O-CB 3.37Å; A215-K219 PolarHBondContact O-N 3.31Å; A215-F252 HydrophobicContact CB-CE1 4.26Å; A215-L255 HydrophobicContact CB-CD2 3.58Å; A215-L255 HydrophobicContact CB-CG 4.38Å |
| 216 | K | 96.8 | Very high | 92.7 | Very high | 128 Ų | 128 | 70.9 Ų | 70.9 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.1 | -50.4 | 174.9 | -74.9 | 170.9 | 171.8 | 169.1 | 0 | 111.6 | E212 Q213 F214 K219 Q220 | E212-K216 HydrophobicContact CG-CD 4.19Å; E212-K216 WeakPolarHBondContact O-CG 3.36Å; E212-K216 PolarHBondContact O-N 3.2Å; E212-K216 WeakPolarHBondContact OE1-CE 3.36Å; E212-K216 IonicContact OE1-NZ 3.44Å; E212-K216 PolarHBondContact OE1-NZ 3.41Å; Q213-K216 PolarHBondContact O-N 3.42Å; F214-K216 VanDerWaalsContact C-N 3.32Å; F214-K216 PolarHBondContact O-N 3.07Å; K216-K219 PolarHBondContact O-N 3.3Å; K216-Q220 WeakPolarHBondContact O-CB 3.41Å; K216-Q220 PolarHBondContact O-N 3.06Å |
| 217 | Q | 96.8 | Very high | 93.5 | Very high | 79 Ų | 79 | 71.3 Ų | 71.3 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 179.2 | -176.9 | -176.3 | 79.7 | 0 | 0 | 111.6 | Q213 F214 K219 Q220 R221 | Q213-Q217 WeakPolarHBondContact O-CB 3.22Å; Q213-Q217 PolarHBondContact O-N 2.81Å; F214-Q217 PolarHBondContact O-N 3.04Å; Q217-K219 PolarHBondContact O-N 3.27Å; Q217-Q220 PolarHBondContact O-N 3.01Å; Q217-R221 VanDerWaalsContact CD-CZ 3.43Å; Q217-R221 VanDerWaalsContact CD-NH2 3.32Å; Q217-R221 HydrophobicContact CG-CG 4.47Å; Q217-R221 VanDerWaalsContact NE2-NH2 3.18Å; Q217-R221 PolarHBondContact O-N 3.16Å |
| 218 | F | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.4 | -50 | 177.4 | 176.1 | -91.7 | 0 | 0 | 0 | 111.1 | F214 Q220 R221 R222 V232 I249 E253 L269 W272 L273 | F214-F218 HydrophobicContact CE1-CB 4.19Å; F214-F218 HydrophobicContact CE1-CD2 4.47Å; F214-F218 HydrophobicContact CE1-CG 4.46Å; F214-F218 HydrophobicContact CZ-CB 4.27Å; F214-F218 HydrophobicContact CZ-CD2 4.15Å; F214-F218 WeakPolarHBondContact O-CB 3.2Å; F214-F218 PolarHBondContact O-N 3.37Å; F218-Q220 PolarHBondContact O-N 3.08Å; F218-R221 PolarHBondContact O-N 3.11Å; F218-R222 VanDerWaalsContact O-CB 3.27Å; F218-R222 WeakPolarHBondContact O-CB 3.07Å; F218-R222 PolarHBondContact O-N 3.47Å; F218-V232 HydrophobicContact CZ-CG1 3.85Å; F218-V232 HydrophobicContact CZ-CG2 4.39Å; F218-I249 HydrophobicContact CE1-CG2 4.06Å; F218-E253 HydrophobicContact CD1-CG 4.23Å; F218-E253 HydrophobicContact CE1-CG 4.46Å; F218-L269 HydrophobicContact CD2-CB 3.98Å; F218-L269 HydrophobicContact CE1-CD2 4.24Å; F218-L269 HydrophobicContact CE2-CB 3.77Å; F218-L269 HydrophobicContact CE2-CD2 3.79Å; F218-L269 HydrophobicContact CE2-CG 4.31Å; F218-L269 HydrophobicContact CZ-CB 4.39Å; F218-L269 HydrophobicContact CZ-CD2 3.58Å; F218-L269 HydrophobicContact CZ-CG 4.45Å; F218-W272 AromaticContact CE2-CE3 3.78Å; F218-W272 HydrophobicContact CE2-CE3 3.78Å; F218-W272 AromaticContact CE2-CZ3 3.93Å; F218-W272 HydrophobicContact CE2-CZ3 3.93Å; F218-W272 HydrophobicContact CZ-CE3 4.21Å; F218-W272 HydrophobicContact CZ-CZ3 4.12Å; F218-L273 HydrophobicContact CD2-CB 4.38Å; F218-L273 HydrophobicContact CD2-CD1 4.17Å; F218-L273 HydrophobicContact CD2-CD2 4.1Å; F218-L273 HydrophobicContact CD2-CG 4.48Å; F218-L273 HydrophobicContact CE2-CD1 4.34Å |
| 219 | K | 97.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.5 | -178.5 | 178.3 | -177.4 | -179 | 0 | 111.5 | A215 K216 Q217 I223 E253 | A215-K219 WeakPolarHBondContact O-CB 3.37Å; A215-K219 PolarHBondContact O-N 3.31Å; K216-K219 PolarHBondContact O-N 3.3Å; Q217-K219 PolarHBondContact O-N 3.27Å; K219-I223 HydrophobicContact CG-CD1 3.85Å; K219-I223 WeakPolarHBondContact O-CD1 3.34Å; K219-I223 VanDerWaalsContact O-CG1 3.24Å; K219-I223 WeakPolarHBondContact O-CG1 3.37Å; K219-I223 PolarHBondContact O-N 2.96Å; K219-I223 VanDerWaalsContact O-N 3.08Å; K219-E253 HydrophobicContact CB-CG 4.04Å; K219-E253 HydrophobicContact CD-CB 4.36Å; K219-E253 HydrophobicContact CG-CG 4.34Å |
| 220 | Q | 96.3 | Very high | 94.1 | Very high | 142 Ų | 142 | 66 Ų | 66 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.6 | -50 | -179.5 | -175.3 | -178.4 | 10.2 | 0 | 0 | 111.5 | K216 Q217 F218 I223 K224 | K216-Q220 WeakPolarHBondContact O-CB 3.41Å; K216-Q220 PolarHBondContact O-N 3.06Å; Q217-Q220 PolarHBondContact O-N 3.01Å; F218-Q220 PolarHBondContact O-N 3.08Å; Q220-I223 PolarHBondContact O-N 3.5Å; Q220-K224 WeakPolarHBondContact O-CB 3.35Å; Q220-K224 PolarHBondContact O-N 2.96Å |
| 221 | R | 94.7 | Very high | 94 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 179.8 | -72 | -154.1 | -169.7 | 109.9 | 1 | 112.1 | Q217 F218 I223 K224 L225 L273 D277 | Q217-R221 VanDerWaalsContact CD-CZ 3.43Å; Q217-R221 VanDerWaalsContact CD-NH2 3.32Å; Q217-R221 HydrophobicContact CG-CG 4.47Å; Q217-R221 VanDerWaalsContact NE2-NH2 3.18Å; Q217-R221 PolarHBondContact O-N 3.16Å; F218-R221 PolarHBondContact O-N 3.11Å; R221-I223 VanDerWaalsContact C-N 3.32Å; R221-I223 PolarHBondContact O-N 2.94Å; R221-K224 WeakPolarHBondContact O-CB 3.36Å; R221-K224 PolarHBondContact O-N 3.06Å; R221-K224 VanDerWaalsContact O-N 3.13Å; R221-L225 WeakPolarHBondContact O-CB 3.37Å; R221-L225 WeakPolarHBondContact O-CG 3.39Å; R221-L225 PolarHBondContact O-N 3.29Å; R221-L273 HydrophobicContact CB-CD1 3.7Å; R221-L273 HydrophobicContact CB-CD2 4.23Å; R221-L273 HydrophobicContact CB-CG 4.33Å; R221-L273 HydrophobicContact CG-CD2 4.45Å; R221-D277 WeakPolarHBondContact CD-OD2 3.4Å; R221-D277 IonicContact CZ-OD2 3.96Å; R221-D277 IonicContact NE-OD2 3.48Å; R221-D277 PolarHBondContact NE-OD2 3.29Å |
| 222 | R | 94.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 65.1 Ų | 65.1 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.3 | -49.7 | 174.4 | -178.7 | -165.8 | 59 | 83.9 | -5.5 | 111.5 | F218 L225 G226 F227 V232 E253 W272 | F218-R222 VanDerWaalsContact O-CB 3.27Å; F218-R222 WeakPolarHBondContact O-CB 3.07Å; F218-R222 PolarHBondContact O-N 3.47Å; R222-L225 PolarHBondContact O-N 3.07Å; R222-G226 PolarHBondContact O-N 3.41Å; R222-F227 HydrophobicContact CG-CB 3.8Å; R222-F227 WeakPolarHBondContact CG-O 3.11Å; R222-F227 PolarHBondContact NH1-O 3.27Å; R222-F227 PolarHBondContact O-N 3.16Å; R222-V232 HydrophobicContact CG-CG2 3.81Å; R222-E253 IonicContact CZ-OE1 3.52Å; R222-E253 IonicContact NE-OE1 3.15Å; R222-E253 PolarHBondContact NE-OE1 3.49Å; R222-E253 IonicContact NH2-OE1 2.63Å; R222-E253 PolarHBondContact NH2-OE1 3.27Å; R222-E253 IonicContact NH2-OE2 3.43Å; R222-E253 PolarHBondContact NH2-OE2 3.41Å; R222-W272 HydrophobicContact CG-CH2 4.46Å |
| 223 | I | 93 | Very high | 93.7 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 179.1 | -65.8 | 167 | 0 | 0 | 0 | 110.5 | K219 Q220 R221 L225 G226 | K219-I223 HydrophobicContact CG-CD1 3.85Å; K219-I223 WeakPolarHBondContact O-CD1 3.34Å; K219-I223 VanDerWaalsContact O-CG1 3.24Å; K219-I223 WeakPolarHBondContact O-CG1 3.37Å; K219-I223 PolarHBondContact O-N 2.96Å; K219-I223 VanDerWaalsContact O-N 3.08Å; Q220-I223 PolarHBondContact O-N 3.5Å; R221-I223 VanDerWaalsContact C-N 3.32Å; R221-I223 PolarHBondContact O-N 2.94Å; I223-L225 VanDerWaalsContact C-N 3.28Å; I223-L225 PolarHBondContact O-N 2.93Å; I223-G226 PolarHBondContact O-N 3.02Å |
| 224 | K | 92.6 | Very high | 93.3 | Very high | 182 Ų | 182 | 58.8 Ų | 58.8 | 79% | 0.791 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.5 | -37.5 | 178.2 | -173.8 | 180 | 179.2 | -176 | 0 | 112.5 | Q220 R221 G226 | Q220-K224 WeakPolarHBondContact O-CB 3.35Å; Q220-K224 PolarHBondContact O-N 2.96Å; R221-K224 WeakPolarHBondContact O-CB 3.36Å; R221-K224 PolarHBondContact O-N 3.06Å; R221-K224 VanDerWaalsContact O-N 3.13Å; K224-G226 VanDerWaalsContact C-N 3.26Å |
| 225 | L | 88.4 | Confident | 92.8 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4.1 | 175.5 | -66.4 | 172.3 | 0 | 0 | 0 | 113.3 | R221 R222 I223 F227 A276 S280 | R221-L225 WeakPolarHBondContact O-CB 3.37Å; R221-L225 WeakPolarHBondContact O-CG 3.39Å; R221-L225 PolarHBondContact O-N 3.29Å; R222-L225 PolarHBondContact O-N 3.07Å; I223-L225 VanDerWaalsContact C-N 3.28Å; I223-L225 PolarHBondContact O-N 2.93Å; L225-F227 HydrophobicContact CB-CD2 3.59Å; L225-F227 HydrophobicContact CB-CE2 3.7Å; L225-F227 HydrophobicContact CD1-CD2 4.37Å; L225-F227 HydrophobicContact CD1-CE2 4.32Å; L225-F227 PolarHBondContact O-N 3.37Å; L225-A276 HydrophobicContact CD1-CB 3.85Å; L225-S280 WeakPolarHBondContact CD2-OG 3.46Å |
| 226 | G | 88.6 | Confident | 92.4 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 9.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R222 I223 K224 | R222-G226 PolarHBondContact O-N 3.41Å; I223-G226 PolarHBondContact O-N 3.02Å; K224-G226 VanDerWaalsContact C-N 3.26Å |
| 227 | F | 90 | Very high | 91.8 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | trans | -79 | 137.2 | -179.7 | -70.9 | -64.1 | 0 | 0 | 0 | 112.2 | R222 L225 D231 V232 W272 A276 L286 | R222-F227 HydrophobicContact CG-CB 3.8Å; R222-F227 WeakPolarHBondContact CG-O 3.11Å; R222-F227 PolarHBondContact NH1-O 3.27Å; R222-F227 PolarHBondContact O-N 3.16Å; L225-F227 HydrophobicContact CB-CD2 3.59Å; L225-F227 HydrophobicContact CB-CE2 3.7Å; L225-F227 HydrophobicContact CD1-CD2 4.37Å; L225-F227 HydrophobicContact CD1-CE2 4.32Å; L225-F227 PolarHBondContact O-N 3.37Å; F227-D231 HydrophobicContact CD1-CB 4.11Å; F227-V232 HydrophobicContact CB-CG2 4.32Å; F227-W272 HydrophobicContact CB-CH2 4.07Å; F227-W272 HydrophobicContact CB-CZ2 4.39Å; F227-W272 HydrophobicContact CD1-CZ2 4.46Å; F227-W272 AromaticContact CD2-CH2 3.65Å; F227-W272 HydrophobicContact CD2-CH2 3.65Å; F227-W272 AromaticContact CD2-CZ2 3.85Å; F227-W272 HydrophobicContact CD2-CZ2 3.85Å; F227-W272 HydrophobicContact CE2-CH2 4.46Å; F227-W272 HydrophobicContact CE2-CZ2 4.38Å; F227-W272 AromaticContact CG-CH2 3.92Å; F227-W272 HydrophobicContact CG-CH2 3.92Å; F227-W272 AromaticContact CG-CZ2 3.94Å; F227-W272 HydrophobicContact CG-CZ2 3.94Å; F227-A276 HydrophobicContact CE2-CB 4.39Å; F227-L286 HydrophobicContact CD1-CD2 4.47Å; F227-L286 HydrophobicContact CE1-CD2 3.48Å; F227-L286 VanDerWaalsContact CE1-CD2 3.48Å; F227-L286 HydrophobicContact CE2-CD2 3.67Å; F227-L286 HydrophobicContact CZ-CB 4.36Å; F227-L286 HydrophobicContact CZ-CD2 3.03Å; F227-L286 HydrophobicContact CZ-CG 4.24Å | ||
| 228 | T | 93.7 | Very high | 91 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | trans | -80.4 | 160.9 | 167.7 | 77.4 | 0 | 0 | 0 | 0 | 110.9 | A230 D231 V232 | T228-A230 PolarHBondContact O-N 3.13Å; T228-A230 PolarHBondContact OG1-N 2.79Å; T228-D231 WeakPolarHBondContact CA-OD2 3.19Å; T228-D231 WeakPolarHBondContact CB-OD2 3.3Å; T228-D231 VanDerWaalsContact CG2-OD2 3.31Å; T228-D231 WeakPolarHBondContact CG2-OD2 3.36Å; T228-D231 PolarHBondContact N-OD2 3.02Å; T228-D231 PolarHBondContact O-N 3.41Å; T228-D231 VanDerWaalsContact O-N 3.14Å; T228-D231 PolarHBondContact OG1-N 3.43Å; T228-D231 PolarHBondContact OG1-OD1 3.09Å; T228-D231 PolarHBondContact OG1-OD2 3.29Å; T228-V232 WeakPolarHBondContact O-CG2 3.41Å; T228-V232 PolarHBondContact O-N 3.1Å | ||
| 229 | Q | 93.3 | Very high | 89.7 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.1 | -27.3 | 174.5 | -70.9 | 173.5 | -15.5 | 0 | 0 | 112.6 | G233 Q246 I249 E253 | Q229-G233 PolarHBondContact O-N 3.4Å; Q229-Q246 HydrophobicContact CB-CB 4.45Å; Q229-Q246 HydrophobicContact CB-CG 3.76Å; Q229-I249 HydrophobicContact CB-CB 4.12Å; Q229-I249 HydrophobicContact CB-CG2 4.1Å; Q229-I249 HydrophobicContact CG-CB 4.37Å; Q229-I249 HydrophobicContact CG-CG2 3.97Å; Q229-I249 WeakPolarHBondContact O-CG1 3.23Å; Q229-E253 PolarHBondContact NE2-OE2 2.99Å |
| 230 | A | 90 | Very high | 89 | Confident | 41 Ų | 41 | 53 Ų | 53 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.4 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T228 V232 G233 L234 Q246 | T228-A230 PolarHBondContact O-N 3.13Å; T228-A230 PolarHBondContact OG1-N 2.79Å; A230-V232 PolarHBondContact O-N 3.31Å; A230-G233 PolarHBondContact O-N 3.49Å; A230-G233 VanDerWaalsContact O-N 3.12Å; A230-L234 WeakPolarHBondContact O-CG 3.43Å; A230-L234 PolarHBondContact O-N 2.89Å; A230-Q246 HydrophobicContact CB-CB 4.35Å |
| 231 | D | 90.7 | Very high | 88.1 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 179.8 | -53.9 | -34.1 | 0 | 0 | 0 | 111.5 | F227 T228 G233 L234 A235 | F227-D231 HydrophobicContact CD1-CB 4.11Å; T228-D231 WeakPolarHBondContact CA-OD2 3.19Å; T228-D231 WeakPolarHBondContact CB-OD2 3.3Å; T228-D231 VanDerWaalsContact CG2-OD2 3.31Å; T228-D231 WeakPolarHBondContact CG2-OD2 3.36Å; T228-D231 PolarHBondContact N-OD2 3.02Å; T228-D231 PolarHBondContact O-N 3.41Å; T228-D231 VanDerWaalsContact O-N 3.14Å; T228-D231 PolarHBondContact OG1-N 3.43Å; T228-D231 PolarHBondContact OG1-OD1 3.09Å; T228-D231 PolarHBondContact OG1-OD2 3.29Å; D231-G233 VanDerWaalsContact C-N 3.32Å; D231-G233 PolarHBondContact O-N 3.18Å; D231-L234 PolarHBondContact O-N 2.89Å; D231-A235 WeakPolarHBondContact O-CB 3.4Å; D231-A235 PolarHBondContact O-N 3.36Å |
| 232 | V | 92.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57 | -48.5 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | F218 R222 F227 T228 A230 L234 A235 L236 I249 L269 W272 | F218-V232 HydrophobicContact CZ-CG1 3.85Å; F218-V232 HydrophobicContact CZ-CG2 4.39Å; R222-V232 HydrophobicContact CG-CG2 3.81Å; F227-V232 HydrophobicContact CB-CG2 4.32Å; T228-V232 WeakPolarHBondContact O-CG2 3.41Å; T228-V232 PolarHBondContact O-N 3.1Å; A230-V232 PolarHBondContact O-N 3.31Å; V232-L234 VanDerWaalsContact C-N 3.27Å; V232-L234 PolarHBondContact O-N 3.32Å; V232-A235 PolarHBondContact O-N 3.22Å; V232-L236 HydrophobicContact CG1-CD1 3.9Å; V232-L236 HydrophobicContact CG1-CG 4.29Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 VanDerWaalsContact O-CG 3.27Å; V232-L236 WeakPolarHBondContact O-CG 3.26Å; V232-L236 PolarHBondContact O-N 3.43Å; V232-I249 HydrophobicContact CB-CG1 4.44Å; V232-I249 HydrophobicContact CG1-CD1 4.02Å; V232-I249 HydrophobicContact CG1-CG1 4.35Å; V232-L269 HydrophobicContact CG1-CD2 4.04Å; V232-W272 HydrophobicContact CB-CZ2 4.44Å; V232-W272 HydrophobicContact CG1-CD2 4.21Å; V232-W272 HydrophobicContact CG1-CE3 4.21Å; V232-W272 HydrophobicContact CG1-CZ3 4.39Å; V232-W272 HydrophobicContact CG2-CE3 4.49Å; V232-W272 HydrophobicContact CG2-CH2 3.52Å; V232-W272 HydrophobicContact CG2-CZ2 3.79Å; V232-W272 HydrophobicContact CG2-CZ3 3.89Å |
| 233 | G | 91.2 | Very high | 87 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -36.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q229 A230 D231 G237 F244 | Q229-G233 PolarHBondContact O-N 3.4Å; A230-G233 PolarHBondContact O-N 3.49Å; A230-G233 VanDerWaalsContact O-N 3.12Å; D231-G233 VanDerWaalsContact C-N 3.32Å; D231-G233 PolarHBondContact O-N 3.18Å; G233-G237 PolarHBondContact O-N 3.24Å; G233-F244 CarbonylContact C-O 3.54Å; G233-F244 WeakPolarHBondContact CA-O 3.35Å; G233-F244 PolarHBondContact O-N 3.48Å |
| 234 | L | 87.1 | Confident | 86.8 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.4 | -49.7 | 174.7 | -70.9 | 168.8 | 0 | 0 | 0 | 111.9 | A230 D231 V232 L236 G237 T238 V243 | A230-L234 WeakPolarHBondContact O-CG 3.43Å; A230-L234 PolarHBondContact O-N 2.89Å; D231-L234 PolarHBondContact O-N 2.89Å; V232-L234 VanDerWaalsContact C-N 3.27Å; V232-L234 PolarHBondContact O-N 3.32Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.13Å; L234-G237 WeakPolarHBondContact O-CA 3.35Å; L234-G237 PolarHBondContact O-N 3.07Å; L234-T238 PolarHBondContact O-N 3.15Å; L234-T238 VanDerWaalsContact O-N 3.17Å; L234-V243 HydrophobicContact CD2-CG1 3.95Å |
| 235 | A | 86.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -43.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D231 V232 G237 T238 L239 W272 | D231-A235 WeakPolarHBondContact O-CB 3.4Å; D231-A235 PolarHBondContact O-N 3.36Å; V232-A235 PolarHBondContact O-N 3.22Å; A235-G237 PolarHBondContact O-N 3.18Å; A235-T238 WeakPolarHBondContact O-CB 3.31Å; A235-T238 PolarHBondContact O-N 3.46Å; A235-T238 VanDerWaalsContact O-N 3.09Å; A235-L239 PolarHBondContact O-N 2.9Å; A235-W272 VanDerWaalsContact CB-NE1 3.3Å |
| 236 | L | 88.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -32.4 | 173.1 | -70.6 | 174.7 | 0 | 0 | 0 | 112.8 | V232 L234 T238 L239 Y240 F244 I249 L268 L269 W272 | V232-L236 HydrophobicContact CG1-CD1 3.9Å; V232-L236 HydrophobicContact CG1-CG 4.29Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 VanDerWaalsContact O-CG 3.27Å; V232-L236 WeakPolarHBondContact O-CG 3.26Å; V232-L236 PolarHBondContact O-N 3.43Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.13Å; L236-T238 VanDerWaalsContact C-N 3.32Å; L236-L239 PolarHBondContact O-N 2.98Å; L236-Y240 HydrophobicContact CB-CD2 4.34Å; L236-Y240 HydrophobicContact CD2-CD2 3.76Å; L236-Y240 HydrophobicContact CD2-CE2 3.5Å; L236-Y240 WeakPolarHBondContact O-CB 3.34Å; L236-Y240 WeakPolarHBondContact O-CD2 3.42Å; L236-Y240 PolarHBondContact O-N 3.46Å; L236-F244 HydrophobicContact CB-CD2 3.74Å; L236-F244 HydrophobicContact CB-CE2 4.17Å; L236-F244 HydrophobicContact CD1-CD2 3.59Å; L236-F244 HydrophobicContact CD1-CE2 4.09Å; L236-F244 HydrophobicContact CG-CD2 4.32Å; L236-I249 HydrophobicContact CD1-CD1 4.2Å; L236-L268 WeakPolarHBondContact CD2-O 3.44Å; L236-L269 HydrophobicContact CD1-CD2 3.64Å; L236-W272 HydrophobicContact CD2-CB 3.57Å; L236-W272 HydrophobicContact CD2-CG 4.02Å; L236-W272 HydrophobicContact CG-CB 4.47Å; L236-W272 HydrophobicContact CG-CG 4.46Å |
| 237 | G | 84.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G233 L234 A235 G241 N242 | G233-G237 PolarHBondContact O-N 3.24Å; L234-G237 WeakPolarHBondContact O-CA 3.35Å; L234-G237 PolarHBondContact O-N 3.07Å; A235-G237 PolarHBondContact O-N 3.18Å; G237-G241 CarbonylContact O-C 3.53Å; G237-G241 VanDerWaalsContact O-CA 3.26Å; G237-G241 WeakPolarHBondContact O-CA 3.4Å; G237-G241 PolarHBondContact O-N 3.08Å; G237-N242 VanDerWaalsContact CA-C 3.45Å; G237-N242 WeakPolarHBondContact CA-O 3.44Å |
| 238 | T | 79.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 31% | 0.307 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 173.1 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | L234 A235 L236 I289 | L234-T238 PolarHBondContact O-N 3.15Å; L234-T238 VanDerWaalsContact O-N 3.17Å; A235-T238 WeakPolarHBondContact O-CB 3.31Å; A235-T238 PolarHBondContact O-N 3.46Å; A235-T238 VanDerWaalsContact O-N 3.09Å; L236-T238 VanDerWaalsContact C-N 3.32Å; T238-I289 HydrophobicContact CG2-CG2 4.14Å |
| 239 | L | 71.4 | Confident | 87.4 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 36% | 0.356 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76 | -35.8 | -176.5 | -66.7 | 171.3 | 0 | 0 | 0 | 114.1 | A235 L236 E275 | A235-L239 PolarHBondContact O-N 2.9Å; L236-L239 PolarHBondContact O-N 2.98Å; L239-E275 VanDerWaalsContact CD1-OE2 3.31Å; L239-E275 WeakPolarHBondContact CD1-OE2 3.45Å |
| 240 | Y | 80.8 | Confident | 87.6 | Confident | 69 Ų | 69 | 41 Ų | 41 | 27% | 0.271 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -124.1 | 8.8 | -170.5 | -52.8 | -70.6 | 0 | 0 | 0 | 114.1 | L236 N242 L268 K271 | L236-Y240 HydrophobicContact CB-CD2 4.34Å; L236-Y240 HydrophobicContact CD2-CD2 3.76Å; L236-Y240 HydrophobicContact CD2-CE2 3.5Å; L236-Y240 WeakPolarHBondContact O-CB 3.34Å; L236-Y240 WeakPolarHBondContact O-CD2 3.42Å; L236-Y240 PolarHBondContact O-N 3.46Å; Y240-N242 VanDerWaalsContact C-N 3.26Å; Y240-N242 PolarHBondContact O-N 3.46Å; Y240-L268 HydrophobicContact CD1-CD2 3.96Å; Y240-L268 HydrophobicContact CD2-CD2 4.16Å; Y240-L268 HydrophobicContact CE1-CD2 4.13Å; Y240-L268 HydrophobicContact CE2-CB 4.46Å; Y240-L268 HydrophobicContact CE2-CD2 4.31Å; Y240-L268 HydrophobicContact CG-CD2 3.98Å; Y240-K271 HydrophobicContact CE1-CD 4.36Å; Y240-K271 VanDerWaalsContact OH-CB 3.28Å; Y240-K271 WeakPolarHBondContact OH-CB 3.5Å; Y240-K271 WeakPolarHBondContact OH-CD 3.4Å; Y240-K271 WeakPolarHBondContact OH-CG 3.45Å |
| 241 | G | 78.5 | Confident | 88 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 64% | 0.639 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 78.5 | -3.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | G237 | G237-G241 CarbonylContact O-C 3.53Å; G237-G241 VanDerWaalsContact O-CA 3.26Å; G237-G241 WeakPolarHBondContact O-CA 3.4Å; G237-G241 PolarHBondContact O-N 3.08Å |
| 242 | N | 81.3 | Confident | 88.3 | Confident | 119 Ų | 119 | 43 Ų | 43 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | trans | -130.7 | 111.1 | 179.8 | -77.4 | -40.6 | 0 | 0 | 0 | 111.9 | G237 Y240 F244 | G237-N242 VanDerWaalsContact CA-C 3.45Å; G237-N242 WeakPolarHBondContact CA-O 3.44Å; Y240-N242 VanDerWaalsContact C-N 3.26Å; Y240-N242 PolarHBondContact O-N 3.46Å; N242-F244 PolarHBondContact O-N 2.85Å | ||
| 243 | V | 84.3 | Confident | 88.5 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 119.3 | 177.8 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | L234 R296 | L234-V243 HydrophobicContact CD2-CG1 3.95Å; V243-R296 HydrophobicContact CB-CB 4.13Å; V243-R296 HydrophobicContact CB-CG 4.25Å; V243-R296 HydrophobicContact CG1-CB 4.03Å; V243-R296 HydrophobicContact CG1-CG 4.3Å |
| 244 | F | 89.4 | Confident | 88.8 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 20% | 0.197 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 152.6 | 171.7 | -66.9 | -72.7 | 0 | 0 | 0 | 110.9 | G233 L236 N242 T248 I249 L265 L268 | G233-F244 CarbonylContact C-O 3.54Å; G233-F244 WeakPolarHBondContact CA-O 3.35Å; G233-F244 PolarHBondContact O-N 3.48Å; L236-F244 HydrophobicContact CB-CD2 3.74Å; L236-F244 HydrophobicContact CB-CE2 4.17Å; L236-F244 HydrophobicContact CD1-CD2 3.59Å; L236-F244 HydrophobicContact CD1-CE2 4.09Å; L236-F244 HydrophobicContact CG-CD2 4.32Å; N242-F244 PolarHBondContact O-N 2.85Å; F244-T248 HydrophobicContact CD1-CG2 3.95Å; F244-I249 HydrophobicContact CB-CD1 4.24Å; F244-L265 HydrophobicContact CD1-CD2 4.24Å; F244-L265 HydrophobicContact CE1-CD2 3.59Å; F244-L265 HydrophobicContact CE2-CD2 4.42Å; F244-L265 HydrophobicContact CZ-CD2 3.69Å; F244-L268 HydrophobicContact CE2-CD1 3.98Å; F244-L268 HydrophobicContact CZ-CD1 3.77Å |
| 245 | S | 88.4 | Confident | 89.2 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 152.7 | 176 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | T247 T248 I249 | S245-T247 PolarHBondContact O-N 3.22Å; S245-T247 PolarHBondContact OG-N 3.28Å; S245-T248 WeakPolarHBondContact O-CA 3.37Å; S245-T248 VanDerWaalsContact O-CB 3.27Å; S245-T248 WeakPolarHBondContact O-CB 3.49Å; S245-T248 PolarHBondContact O-N 2.94Å; S245-T248 PolarHBondContact OG-N 2.87Å; S245-T248 PolarHBondContact OG-OG1 3.39Å; S245-I249 PolarHBondContact O-N 2.88Å |
| 246 | Q | 92.3 | Very high | 89.6 | Confident | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -48.9 | -42.4 | 165.6 | 174.5 | -84 | -20.4 | 0 | 0 | 111.1 | Q229 A230 T248 I249 C250 | Q229-Q246 HydrophobicContact CB-CB 4.45Å; Q229-Q246 HydrophobicContact CB-CG 3.76Å; A230-Q246 HydrophobicContact CB-CB 4.35Å; Q246-T248 VanDerWaalsContact C-N 3.26Å; Q246-T248 PolarHBondContact O-N 3.2Å; Q246-I249 PolarHBondContact O-N 2.78Å; Q246-C250 WeakPolarHBondContact O-CB 3.38Å; Q246-C250 PolarHBondContact O-N 2.85Å |
| 247 | T | 95.3 | Very high | 89.9 | Confident | 68 Ų | 68 | 54.6 Ų | 54.6 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -32.6 | 177.3 | -47.8 | 0 | 0 | 0 | 0 | 112.9 | S245 R251 | S245-T247 PolarHBondContact O-N 3.22Å; S245-T247 PolarHBondContact OG-N 3.28Å; T247-R251 HydrophobicContact CG2-CG 4.48Å; T247-R251 WeakPolarHBondContact O-CB 3.48Å; T247-R251 VanDerWaalsContact O-CG 3.24Å; T247-R251 WeakPolarHBondContact O-CG 3.46Å; T247-R251 PolarHBondContact O-N 3.44Å |
| 248 | T | 95.4 | Very high | 90.3 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -48.9 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | F244 S245 Q246 R251 F252 L265 | F244-T248 HydrophobicContact CD1-CG2 3.95Å; S245-T248 WeakPolarHBondContact O-CA 3.37Å; S245-T248 VanDerWaalsContact O-CB 3.27Å; S245-T248 WeakPolarHBondContact O-CB 3.49Å; S245-T248 PolarHBondContact O-N 2.94Å; S245-T248 PolarHBondContact OG-N 2.87Å; S245-T248 PolarHBondContact OG-OG1 3.39Å; Q246-T248 VanDerWaalsContact C-N 3.26Å; Q246-T248 PolarHBondContact O-N 3.2Å; T248-R251 PolarHBondContact O-N 3.38Å; T248-F252 WeakPolarHBondContact O-CB 3.2Å; T248-F252 PolarHBondContact O-N 3.42Å; T248-L265 HydrophobicContact CG2-CD1 3.89Å |
| 249 | I | 95.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 178.9 | -52.1 | -54.6 | 0 | 0 | 0 | 110.2 | F218 Q229 V232 L236 F244 S245 Q246 R251 F252 E253 L269 | F218-I249 HydrophobicContact CE1-CG2 4.06Å; Q229-I249 HydrophobicContact CB-CB 4.12Å; Q229-I249 HydrophobicContact CB-CG2 4.1Å; Q229-I249 HydrophobicContact CG-CB 4.37Å; Q229-I249 HydrophobicContact CG-CG2 3.97Å; Q229-I249 WeakPolarHBondContact O-CG1 3.23Å; V232-I249 HydrophobicContact CB-CG1 4.44Å; V232-I249 HydrophobicContact CG1-CD1 4.02Å; V232-I249 HydrophobicContact CG1-CG1 4.35Å; L236-I249 HydrophobicContact CD1-CD1 4.2Å; F244-I249 HydrophobicContact CB-CD1 4.24Å; S245-I249 PolarHBondContact O-N 2.88Å; Q246-I249 PolarHBondContact O-N 2.78Å; I249-R251 PolarHBondContact O-N 3Å; I249-F252 WeakPolarHBondContact O-CB 3.3Å; I249-F252 PolarHBondContact O-N 3.35Å; I249-E253 WeakPolarHBondContact O-CG 3.32Å; I249-E253 PolarHBondContact O-N 3.43Å; I249-L269 HydrophobicContact CD1-CD2 3.89Å |
| 250 | C | 97 | Very high | 91.9 | Very high | 49 Ų | 49 | 63.8 Ų | 63.8 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | Q246 F252 E253 A254 | Q246-C250 WeakPolarHBondContact O-CB 3.38Å; Q246-C250 PolarHBondContact O-N 2.85Å; C250-F252 VanDerWaalsContact C-N 3.3Å; C250-F252 PolarHBondContact O-N 3.19Å; C250-E253 PolarHBondContact O-N 2.83Å; C250-A254 WeakPolarHBondContact O-CB 3.5Å; C250-A254 PolarHBondContact O-N 2.77Å |
| 251 | R | 97 | Very high | 92.5 | Very high | 129 Ų | 129 | 64 Ų | 64 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.2 | -32.7 | 177.4 | -73.2 | 176.8 | -178.6 | -160.6 | -1.6 | 112.7 | T247 T248 I249 L255 Q256 L257 | T247-R251 HydrophobicContact CG2-CG 4.48Å; T247-R251 WeakPolarHBondContact O-CB 3.48Å; T247-R251 VanDerWaalsContact O-CG 3.24Å; T247-R251 WeakPolarHBondContact O-CG 3.46Å; T247-R251 PolarHBondContact O-N 3.44Å; T248-R251 PolarHBondContact O-N 3.38Å; I249-R251 PolarHBondContact O-N 3Å; R251-L255 PolarHBondContact O-N 2.63Å; R251-Q256 HydrophobicContact CB-CB 4.31Å; R251-Q256 HydrophobicContact CG-CB 4.44Å; R251-Q256 PolarHBondContact O-N 3.22Å; R251-L257 HydrophobicContact CB-CD1 4.44Å; R251-L257 HydrophobicContact CB-CD2 3.59Å; R251-L257 HydrophobicContact CB-CG 3.8Å; R251-L257 HydrophobicContact CG-CD2 4.41Å |
| 252 | F | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.6 | -50.6 | 173.7 | -176.7 | -86.7 | 0 | 0 | 0 | 111 | F214 A215 T248 I249 C250 A254 L255 L257 M262 L265 L269 | F214-F252 AromaticContact CD1-CE1 3.71Å; F214-F252 HydrophobicContact CD1-CE1 3.71Å; F214-F252 AromaticContact CD1-CZ 3.55Å; F214-F252 HydrophobicContact CD1-CZ 3.55Å; F214-F252 AromaticContact CE1-CE1 3.56Å; F214-F252 HydrophobicContact CE1-CE1 3.56Å; F214-F252 AromaticContact CE1-CZ 3.48Å; F214-F252 HydrophobicContact CE1-CZ 3.48Å; F214-F252 VanDerWaalsContact CE1-CZ 3.48Å; A215-F252 HydrophobicContact CB-CE1 4.26Å; T248-F252 WeakPolarHBondContact O-CB 3.2Å; T248-F252 PolarHBondContact O-N 3.42Å; I249-F252 WeakPolarHBondContact O-CB 3.3Å; I249-F252 PolarHBondContact O-N 3.35Å; C250-F252 VanDerWaalsContact C-N 3.3Å; C250-F252 PolarHBondContact O-N 3.19Å; F252-A254 PolarHBondContact O-N 3Å; F252-L255 PolarHBondContact O-N 3.44Å; F252-L257 HydrophobicContact CB-CD1 3.98Å; F252-L257 HydrophobicContact CD2-CD1 4.3Å; F252-M262 HydrophobicContact CB-SD 4.48Å; F252-M262 HydrophobicContact CD2-CE 3.68Å; F252-M262 HydrophobicContact CD2-SD 3.45Å; F252-M262 WeakPolarHBondContact CD2-SD 3.47Å; F252-M262 HydrophobicContact CE1-CE 4.41Å; F252-M262 HydrophobicContact CE2-CE 3.58Å; F252-M262 HydrophobicContact CE2-SD 3.82Å; F252-M262 HydrophobicContact CG-CE 4.15Å; F252-M262 HydrophobicContact CG-SD 4.12Å; F252-M262 HydrophobicContact CZ-CE 3.96Å; F252-L265 HydrophobicContact CD2-CB 3.67Å; F252-L265 HydrophobicContact CD2-CD1 3.9Å; F252-L265 HydrophobicContact CD2-CG 4.46Å; F252-L265 HydrophobicContact CE2-CB 3.7Å; F252-L269 HydrophobicContact CB-CD1 4.43Å; F252-L269 HydrophobicContact CD1-CD1 3.36Å; F252-L269 HydrophobicContact CD2-CD1 3.72Å; F252-L269 HydrophobicContact CE1-CD1 3.36Å; F252-L269 HydrophobicContact CE2-CD1 3.72Å; F252-L269 HydrophobicContact CG-CD1 3.55Å; F252-L269 HydrophobicContact CZ-CD1 3.54Å |
| 253 | E | 97.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.6 | -31.6 | 177.5 | -71.9 | -176.8 | 175.4 | 0 | 0 | 113 | F218 K219 R222 Q229 I249 C250 | F218-E253 HydrophobicContact CD1-CG 4.23Å; F218-E253 HydrophobicContact CE1-CG 4.46Å; K219-E253 HydrophobicContact CB-CG 4.04Å; K219-E253 HydrophobicContact CD-CB 4.36Å; K219-E253 HydrophobicContact CG-CG 4.34Å; R222-E253 IonicContact CZ-OE1 3.52Å; R222-E253 IonicContact NE-OE1 3.15Å; R222-E253 PolarHBondContact NE-OE1 3.49Å; R222-E253 IonicContact NH2-OE1 2.63Å; R222-E253 PolarHBondContact NH2-OE1 3.27Å; R222-E253 IonicContact NH2-OE2 3.43Å; R222-E253 PolarHBondContact NH2-OE2 3.41Å; Q229-E253 PolarHBondContact NE2-OE2 2.99Å; I249-E253 WeakPolarHBondContact O-CG 3.32Å; I249-E253 PolarHBondContact O-N 3.43Å; C250-E253 PolarHBondContact O-N 2.83Å |
| 254 | A | 96.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 61.9 Ų | 61.9 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | C250 F252 Q256 | C250-A254 WeakPolarHBondContact O-CB 3.5Å; C250-A254 PolarHBondContact O-N 2.77Å; F252-A254 PolarHBondContact O-N 3Å; A254-Q256 HydrophobicContact CB-CB 4.5Å; A254-Q256 HydrophobicContact CB-CG 3.84Å; A254-Q256 WeakPolarHBondContact O-CG 3.37Å; A254-Q256 PolarHBondContact O-N 2.82Å |
| 255 | L | 96 | Very high | 94.4 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 29.2 | -175.7 | -54.2 | 174.3 | 0 | 0 | 0 | 113.8 | E212 A215 R251 F252 M262 | E212-L255 HydrophobicContact CB-CD1 3.85Å; E212-L255 HydrophobicContact CG-CD1 3.81Å; A215-L255 HydrophobicContact CB-CD2 3.58Å; A215-L255 HydrophobicContact CB-CG 4.38Å; R251-L255 PolarHBondContact O-N 2.63Å; F252-L255 PolarHBondContact O-N 3.44Å; L255-M262 HydrophobicContact CD2-CE 3.43Å; L255-M262 VanDerWaalsContact CD2-CE 3.43Å |
| 256 | Q | 95.9 | Very high | 94.7 | Very high | 139 Ų | 139 | 62 Ų | 62 | 65% | 0.65 | 31% | 0.314 | S | S | * | . | trans | -97.8 | 15.8 | -176 | -67.7 | 178.7 | 0.3 | 0 | 0 | 113.5 | R251 A254 | R251-Q256 HydrophobicContact CB-CB 4.31Å; R251-Q256 HydrophobicContact CG-CB 4.44Å; R251-Q256 PolarHBondContact O-N 3.22Å; A254-Q256 HydrophobicContact CB-CB 4.5Å; A254-Q256 HydrophobicContact CB-CG 3.84Å; A254-Q256 WeakPolarHBondContact O-CG 3.37Å; A254-Q256 PolarHBondContact O-N 2.82Å | ||
| 257 | L | 93.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 61.5 Ų | 61.5 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -101.8 | 157.6 | 171.8 | -58.9 | 175.2 | 0 | 0 | 0 | 109.5 | R251 F252 N261 M262 L265 | R251-L257 HydrophobicContact CB-CD1 4.44Å; R251-L257 HydrophobicContact CB-CD2 3.59Å; R251-L257 HydrophobicContact CB-CG 3.8Å; R251-L257 HydrophobicContact CG-CD2 4.41Å; F252-L257 HydrophobicContact CB-CD1 3.98Å; F252-L257 HydrophobicContact CD2-CD1 4.3Å; L257-N261 HydrophobicContact CB-CB 4.09Å; L257-M262 HydrophobicContact CB-CG 3.93Å; L257-M262 HydrophobicContact CB-SD 3.72Å; L257-M262 HydrophobicContact CD1-SD 4.08Å; L257-M262 HydrophobicContact CG-SD 4.22Å; L257-L265 HydrophobicContact CD1-CD1 3.42Å; L257-L265 VanDerWaalsContact CD1-CD1 3.42Å |
| 258 | S | 93.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 60.5 Ų | 60.5 | 47% | 0.469 | 31% | 0.311 | S | S | . | . | trans | -60.3 | 148 | 170.4 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | K260 N261 M262 | S258-K260 PolarHBondContact O-N 3.24Å; S258-N261 WeakPolarHBondContact O-CA 3.31Å; S258-N261 WeakPolarHBondContact O-CB 3.21Å; S258-N261 PolarHBondContact O-N 3.03Å; S258-N261 PolarHBondContact OG-ND2 3.25Å; S258-M262 PolarHBondContact O-N 2.63Å | ||
| 259 | F | 91.8 | Very high | 94.5 | Very high | 104 Ų | 104 | 59 Ų | 59 | 46% | 0.456 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -48.6 | -47.1 | 178.5 | -176 | -101 | 0 | 0 | 0 | 112.2 | P206 L211 N261 M262 C263 | P206-F259 WeakPolarHBondContact O-CZ 3.24Å; L211-F259 HydrophobicContact CD1-CD2 3.66Å; L211-F259 HydrophobicContact CD1-CE2 3.48Å; L211-F259 VanDerWaalsContact CD1-CE2 3.48Å; L211-F259 HydrophobicContact CD1-CZ 4.32Å; F259-N261 VanDerWaalsContact C-N 3.29Å; F259-N261 PolarHBondContact O-N 3.24Å; F259-M262 WeakPolarHBondContact O-CB 3.24Å; F259-M262 PolarHBondContact O-N 3.31Å; F259-C263 PolarHBondContact O-N 3.28Å; F259-C263 PolarHBondContact O-SG 3.15Å |
| 260 | K | 92.3 | Very high | 94.5 | Very high | 142 Ų | 142 | 61.2 Ų | 61.2 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.3 | -36.5 | 175.9 | -167.1 | 173.9 | 82 | 173.4 | 0 | 113.8 | S258 K264 | S258-K260 PolarHBondContact O-N 3.24Å; K260-K264 VanDerWaalsContact O-CG 3.27Å; K260-K264 WeakPolarHBondContact O-CG 3.4Å; K260-K264 PolarHBondContact O-N 3.15Å |
| 261 | N | 93.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.5 | -37.9 | 176 | -79.7 | -18.1 | 0 | 0 | 0 | 111.5 | L257 S258 F259 K264 L265 | L257-N261 HydrophobicContact CB-CB 4.09Å; S258-N261 WeakPolarHBondContact O-CA 3.31Å; S258-N261 WeakPolarHBondContact O-CB 3.21Å; S258-N261 PolarHBondContact O-N 3.03Å; S258-N261 PolarHBondContact OG-ND2 3.25Å; F259-N261 VanDerWaalsContact C-N 3.29Å; F259-N261 PolarHBondContact O-N 3.24Å; N261-K264 PolarHBondContact O-N 3.19Å; N261-L265 WeakPolarHBondContact O-CG 3.47Å; N261-L265 PolarHBondContact O-N 3.38Å |
| 262 | M | 94.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 174.2 | -67.4 | -65.8 | -67.1 | 0 | 0 | 110.9 | L211 F252 L255 L257 S258 F259 K264 L265 K266 | L211-M262 HydrophobicContact CD1-CB 3.76Å; L211-M262 HydrophobicContact CD2-CB 4.03Å; L211-M262 HydrophobicContact CG-CB 4.48Å; F252-M262 HydrophobicContact CB-SD 4.48Å; F252-M262 HydrophobicContact CD2-CE 3.68Å; F252-M262 HydrophobicContact CD2-SD 3.45Å; F252-M262 WeakPolarHBondContact CD2-SD 3.47Å; F252-M262 HydrophobicContact CE1-CE 4.41Å; F252-M262 HydrophobicContact CE2-CE 3.58Å; F252-M262 HydrophobicContact CE2-SD 3.82Å; F252-M262 HydrophobicContact CG-CE 4.15Å; F252-M262 HydrophobicContact CG-SD 4.12Å; F252-M262 HydrophobicContact CZ-CE 3.96Å; L255-M262 HydrophobicContact CD2-CE 3.43Å; L255-M262 VanDerWaalsContact CD2-CE 3.43Å; L257-M262 HydrophobicContact CB-CG 3.93Å; L257-M262 HydrophobicContact CB-SD 3.72Å; L257-M262 HydrophobicContact CD1-SD 4.08Å; L257-M262 HydrophobicContact CG-SD 4.22Å; S258-M262 PolarHBondContact O-N 2.63Å; F259-M262 WeakPolarHBondContact O-CB 3.24Å; F259-M262 PolarHBondContact O-N 3.31Å; M262-K264 PolarHBondContact O-N 3.21Å; M262-L265 PolarHBondContact O-N 2.81Å; M262-K266 PolarHBondContact O-N 3.17Å |
| 263 | C | 93.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 57.9 Ų | 57.9 | 22% | 0.223 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -34.3 | 177.3 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | F259 P267 | F259-C263 PolarHBondContact O-N 3.28Å; F259-C263 PolarHBondContact O-SG 3.15Å; C263-P267 WeakPolarHBondContact O-CD 3.27Å |
| 264 | K | 92.1 | Very high | 93.4 | Very high | 132 Ų | 132 | 62 Ų | 62 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.7 | -32.8 | 176.2 | -76.2 | 179.9 | 176.6 | -155.9 | 0 | 113.5 | K260 N261 M262 | K260-K264 VanDerWaalsContact O-CG 3.27Å; K260-K264 WeakPolarHBondContact O-CG 3.4Å; K260-K264 PolarHBondContact O-N 3.15Å; N261-K264 PolarHBondContact O-N 3.19Å; M262-K264 PolarHBondContact O-N 3.21Å |
| 265 | L | 93.5 | Very high | 93 | Very high | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -86.8 | -31.7 | -177.6 | -69.9 | 176.7 | 0 | 0 | 0 | 112.6 | F244 T248 F252 L257 N261 M262 L268 L269 | F244-L265 HydrophobicContact CD1-CD2 4.24Å; F244-L265 HydrophobicContact CE1-CD2 3.59Å; F244-L265 HydrophobicContact CE2-CD2 4.42Å; F244-L265 HydrophobicContact CZ-CD2 3.69Å; T248-L265 HydrophobicContact CG2-CD1 3.89Å; F252-L265 HydrophobicContact CD2-CB 3.67Å; F252-L265 HydrophobicContact CD2-CD1 3.9Å; F252-L265 HydrophobicContact CD2-CG 4.46Å; F252-L265 HydrophobicContact CE2-CB 3.7Å; L257-L265 HydrophobicContact CD1-CD1 3.42Å; L257-L265 VanDerWaalsContact CD1-CD1 3.42Å; N261-L265 WeakPolarHBondContact O-CG 3.47Å; N261-L265 PolarHBondContact O-N 3.38Å; M262-L265 PolarHBondContact O-N 2.81Å; L265-L268 HydrophobicContact CD2-CD1 4.5Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-L269 HydrophobicContact CB-CD1 4.06Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.18Å |
| 266 | K | 94.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 19% | 0.191 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -46.2 | -54.9 | 179 | -173.9 | -177.7 | -172.3 | 166.3 | 0 | 113.3 | P206 D210 L211 F214 M262 L268 L269 N270 | P206-K266 HydrophobicContact CB-CD 4.11Å; P206-K266 HydrophobicContact CG-CD 4.23Å; D210-K266 PolarHBondContact O-NZ 3.35Å; L211-K266 HydrophobicContact CD2-CB 4.03Å; L211-K266 HydrophobicContact CD2-CD 3.8Å; L211-K266 HydrophobicContact CD2-CG 4.28Å; F214-K266 HydrophobicContact CD1-CG 3.84Å; F214-K266 HydrophobicContact CD2-CG 4.37Å; F214-K266 HydrophobicContact CE1-CB 4.47Å; F214-K266 HydrophobicContact CE1-CG 4.01Å; F214-K266 HydrophobicContact CG-CD 4.46Å; F214-K266 HydrophobicContact CG-CG 4.03Å; F214-K266 HydrophobicContact CZ-CG 4.35Å; M262-K266 PolarHBondContact O-N 3.17Å; K266-L268 VanDerWaalsContact C-N 3.34Å; K266-L268 PolarHBondContact O-N 3.3Å; K266-L269 PolarHBondContact O-N 2.99Å; K266-N270 WeakPolarHBondContact O-CB 3.46Å; K266-N270 PolarHBondContact O-N 2.92Å |
| 267 | P | 92.9 | Very high | 92 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.9 | -35.1 | -176.6 | 25 | -34.5 | 0 | 0 | 0 | 113.1 | C263 K271 | C263-P267 WeakPolarHBondContact O-CD 3.27Å; P267-K271 WeakPolarHBondContact O-CB 3.31Å; P267-K271 PolarHBondContact O-N 2.67Å; P267-K271 VanDerWaalsContact O-N 3.09Å |
| 268 | L | 92.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 178.1 | -58.6 | 177.7 | 0 | 0 | 0 | 111.3 | L236 Y240 F244 L265 K266 W272 | L236-L268 WeakPolarHBondContact CD2-O 3.44Å; Y240-L268 HydrophobicContact CD1-CD2 3.96Å; Y240-L268 HydrophobicContact CD2-CD2 4.16Å; Y240-L268 HydrophobicContact CE1-CD2 4.13Å; Y240-L268 HydrophobicContact CE2-CB 4.46Å; Y240-L268 HydrophobicContact CE2-CD2 4.31Å; Y240-L268 HydrophobicContact CG-CD2 3.98Å; F244-L268 HydrophobicContact CE2-CD1 3.98Å; F244-L268 HydrophobicContact CZ-CD1 3.77Å; L265-L268 HydrophobicContact CD2-CD1 4.5Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-L268 VanDerWaalsContact O-N 3.16Å; K266-L268 VanDerWaalsContact C-N 3.34Å; K266-L268 PolarHBondContact O-N 3.3Å; L268-W272 PolarHBondContact O-N 3.19Å |
| 269 | L | 94.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.9 | -36.4 | 179 | -67.8 | 169.3 | 0 | 0 | 0 | 111.7 | F214 F218 V232 L236 I249 F252 L265 K266 L273 | F214-L269 HydrophobicContact CE1-CB 3.96Å; F214-L269 HydrophobicContact CZ-CB 3.87Å; F218-L269 HydrophobicContact CD2-CB 3.98Å; F218-L269 HydrophobicContact CE1-CD2 4.24Å; F218-L269 HydrophobicContact CE2-CB 3.77Å; F218-L269 HydrophobicContact CE2-CD2 3.79Å; F218-L269 HydrophobicContact CE2-CG 4.31Å; F218-L269 HydrophobicContact CZ-CB 4.39Å; F218-L269 HydrophobicContact CZ-CD2 3.58Å; F218-L269 HydrophobicContact CZ-CG 4.45Å; V232-L269 HydrophobicContact CG1-CD2 4.04Å; L236-L269 HydrophobicContact CD1-CD2 3.64Å; I249-L269 HydrophobicContact CD1-CD2 3.89Å; F252-L269 HydrophobicContact CB-CD1 4.43Å; F252-L269 HydrophobicContact CD1-CD1 3.36Å; F252-L269 HydrophobicContact CD2-CD1 3.72Å; F252-L269 HydrophobicContact CE1-CD1 3.36Å; F252-L269 HydrophobicContact CE2-CD1 3.72Å; F252-L269 HydrophobicContact CG-CD1 3.55Å; F252-L269 HydrophobicContact CZ-CD1 3.54Å; L265-L269 HydrophobicContact CB-CD1 4.06Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 3.18Å; K266-L269 PolarHBondContact O-N 2.99Å; L269-L273 VanDerWaalsContact O-CB 3.3Å; L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 PolarHBondContact O-N 3.37Å |
| 270 | N | 93.6 | Very high | 88.8 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 177.7 | -171.1 | 72.3 | 0 | 0 | 0 | 110.7 | F214 K266 W272 L273 E274 | F214-N270 HydrophobicContact CE2-CB 3.72Å; F214-N270 WeakPolarHBondContact CE2-OD1 3.43Å; F214-N270 HydrophobicContact CZ-CB 3.92Å; K266-N270 WeakPolarHBondContact O-CB 3.46Å; K266-N270 PolarHBondContact O-N 2.92Å; N270-W272 VanDerWaalsContact C-N 3.34Å; N270-W272 PolarHBondContact O-N 3.39Å; N270-L273 WeakPolarHBondContact O-CA 3.42Å; N270-L273 WeakPolarHBondContact O-CB 3.39Å; N270-L273 PolarHBondContact O-N 3.06Å; N270-E274 VanDerWaalsContact ND2-CD 3.27Å; N270-E274 PolarHBondContact ND2-OE1 3.19Å; N270-E274 WeakPolarHBondContact O-CG 3.34Å; N270-E274 PolarHBondContact O-N 3.26Å |
| 271 | K | 91.2 | Very high | 86.8 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 180 | 179.7 | 169.1 | 165.7 | 178.4 | 0 | 112.3 | Y240 P267 L273 E274 E275 | Y240-K271 HydrophobicContact CE1-CD 4.36Å; Y240-K271 VanDerWaalsContact OH-CB 3.28Å; Y240-K271 WeakPolarHBondContact OH-CB 3.5Å; Y240-K271 WeakPolarHBondContact OH-CD 3.4Å; Y240-K271 WeakPolarHBondContact OH-CG 3.45Å; P267-K271 WeakPolarHBondContact O-CB 3.31Å; P267-K271 PolarHBondContact O-N 2.67Å; P267-K271 VanDerWaalsContact O-N 3.09Å; K271-L273 VanDerWaalsContact C-N 3.29Å; K271-L273 PolarHBondContact O-N 3.06Å; K271-E274 PolarHBondContact O-N 2.63Å; K271-E275 WeakPolarHBondContact CE-OE1 3.37Å; K271-E275 WeakPolarHBondContact O-CG 3.27Å; K271-E275 PolarHBondContact O-N 3.06Å; K271-E275 VanDerWaalsContact O-N 3.08Å |
| 272 | W | 91.7 | Very high | 84.5 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 172.4 | 175.1 | 84 | 0 | 0 | 0 | 112.3 | F218 R222 F227 V232 A235 L236 L268 N270 E275 A276 | F218-W272 AromaticContact CE2-CE3 3.78Å; F218-W272 HydrophobicContact CE2-CE3 3.78Å; F218-W272 AromaticContact CE2-CZ3 3.93Å; F218-W272 HydrophobicContact CE2-CZ3 3.93Å; F218-W272 HydrophobicContact CZ-CE3 4.21Å; F218-W272 HydrophobicContact CZ-CZ3 4.12Å; R222-W272 HydrophobicContact CG-CH2 4.46Å; F227-W272 HydrophobicContact CB-CH2 4.07Å; F227-W272 HydrophobicContact CB-CZ2 4.39Å; F227-W272 HydrophobicContact CD1-CZ2 4.46Å; F227-W272 AromaticContact CD2-CH2 3.65Å; F227-W272 HydrophobicContact CD2-CH2 3.65Å; F227-W272 AromaticContact CD2-CZ2 3.85Å; F227-W272 HydrophobicContact CD2-CZ2 3.85Å; F227-W272 HydrophobicContact CE2-CH2 4.46Å; F227-W272 HydrophobicContact CE2-CZ2 4.38Å; F227-W272 AromaticContact CG-CH2 3.92Å; F227-W272 HydrophobicContact CG-CH2 3.92Å; F227-W272 AromaticContact CG-CZ2 3.94Å; F227-W272 HydrophobicContact CG-CZ2 3.94Å; V232-W272 HydrophobicContact CB-CZ2 4.44Å; V232-W272 HydrophobicContact CG1-CD2 4.21Å; V232-W272 HydrophobicContact CG1-CE3 4.21Å; V232-W272 HydrophobicContact CG1-CZ3 4.39Å; V232-W272 HydrophobicContact CG2-CE3 4.49Å; V232-W272 HydrophobicContact CG2-CH2 3.52Å; V232-W272 HydrophobicContact CG2-CZ2 3.79Å; V232-W272 HydrophobicContact CG2-CZ3 3.89Å; A235-W272 VanDerWaalsContact CB-NE1 3.3Å; L236-W272 HydrophobicContact CD2-CB 3.57Å; L236-W272 HydrophobicContact CD2-CG 4.02Å; L236-W272 HydrophobicContact CG-CB 4.47Å; L236-W272 HydrophobicContact CG-CG 4.46Å; L268-W272 PolarHBondContact O-N 3.19Å; N270-W272 VanDerWaalsContact C-N 3.34Å; N270-W272 PolarHBondContact O-N 3.39Å; W272-E275 PolarHBondContact O-N 2.92Å; W272-A276 HydrophobicContact CH2-CB 4.28Å; W272-A276 HydrophobicContact CZ2-CB 4.23Å; W272-A276 WeakPolarHBondContact O-CB 3.37Å; W272-A276 PolarHBondContact O-N 3.23Å |
| 273 | L | 92.6 | Very high | 82.3 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | -179.8 | -165.6 | 67.7 | 0 | 0 | 0 | 111.7 | F218 R221 L269 N270 K271 A276 D277 | F218-L273 HydrophobicContact CD2-CB 4.38Å; F218-L273 HydrophobicContact CD2-CD1 4.17Å; F218-L273 HydrophobicContact CD2-CD2 4.1Å; F218-L273 HydrophobicContact CD2-CG 4.48Å; F218-L273 HydrophobicContact CE2-CD1 4.34Å; R221-L273 HydrophobicContact CB-CD1 3.7Å; R221-L273 HydrophobicContact CB-CD2 4.23Å; R221-L273 HydrophobicContact CB-CG 4.33Å; R221-L273 HydrophobicContact CG-CD2 4.45Å; L269-L273 VanDerWaalsContact O-CB 3.3Å; L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 PolarHBondContact O-N 3.37Å; N270-L273 WeakPolarHBondContact O-CA 3.42Å; N270-L273 WeakPolarHBondContact O-CB 3.39Å; N270-L273 PolarHBondContact O-N 3.06Å; K271-L273 VanDerWaalsContact C-N 3.29Å; K271-L273 PolarHBondContact O-N 3.06Å; L273-A276 PolarHBondContact O-N 2.84Å; L273-D277 WeakPolarHBondContact O-CB 3.48Å; L273-D277 PolarHBondContact O-N 3.34Å |
| 274 | E | 91.1 | Very high | 80.2 | Confident | 106 Ų | 106 | 61 Ų | 61 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.2 | -70.7 | 170.8 | 162.3 | 0 | 0 | 112 | N270 K271 S278 | N270-E274 VanDerWaalsContact ND2-CD 3.27Å; N270-E274 PolarHBondContact ND2-OE1 3.19Å; N270-E274 WeakPolarHBondContact O-CG 3.34Å; N270-E274 PolarHBondContact O-N 3.26Å; K271-E274 PolarHBondContact O-N 2.63Å; E274-S278 VanDerWaalsContact O-CB 3.31Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.48Å; E274-S278 PolarHBondContact O-OG 3.12Å |
| 275 | E | 87.7 | Confident | 78.2 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.1 | -72.3 | 176.2 | -161.7 | 0 | 0 | 111.6 | L239 K271 W272 T279 | L239-E275 VanDerWaalsContact CD1-OE2 3.31Å; L239-E275 WeakPolarHBondContact CD1-OE2 3.45Å; K271-E275 WeakPolarHBondContact CE-OE1 3.37Å; K271-E275 WeakPolarHBondContact O-CG 3.27Å; K271-E275 PolarHBondContact O-N 3.06Å; K271-E275 VanDerWaalsContact O-N 3.08Å; W272-E275 PolarHBondContact O-N 2.92Å; E275-T279 VanDerWaalsContact O-CB 3.23Å; E275-T279 WeakPolarHBondContact O-CB 3.38Å; E275-T279 PolarHBondContact O-N 2.9Å; E275-T279 VanDerWaalsContact O-N 3.09Å; E275-T279 PolarHBondContact O-OG1 3.31Å |
| 276 | A | 86.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L225 F227 W272 L273 T279 S280 | L225-A276 HydrophobicContact CD1-CB 3.85Å; F227-A276 HydrophobicContact CE2-CB 4.39Å; W272-A276 HydrophobicContact CH2-CB 4.28Å; W272-A276 HydrophobicContact CZ2-CB 4.23Å; W272-A276 WeakPolarHBondContact O-CB 3.37Å; W272-A276 PolarHBondContact O-N 3.23Å; L273-A276 PolarHBondContact O-N 2.84Å; A276-T279 PolarHBondContact O-N 3.18Å; A276-S280 PolarHBondContact O-N 3.3Å; A276-S280 VanDerWaalsContact O-N 3.14Å |
| 277 | D | 84.5 | Confident | 74.4 | Confident | 63 Ų | 63 | 61.6 Ų | 61.6 | 34% | 0.337 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.8 | -80.9 | -27.6 | 0 | 0 | 0 | 111.2 | R221 L273 T279 S280 | R221-D277 WeakPolarHBondContact CD-OD2 3.4Å; R221-D277 IonicContact CZ-OD2 3.96Å; R221-D277 IonicContact NE-OD2 3.48Å; R221-D277 PolarHBondContact NE-OD2 3.29Å; L273-D277 WeakPolarHBondContact O-CB 3.48Å; L273-D277 PolarHBondContact O-N 3.34Å; D277-T279 VanDerWaalsContact C-N 3.3Å; D277-T279 PolarHBondContact O-N 3.28Å; D277-S280 PolarHBondContact O-N 3.06Å |
| 278 | S | 82.4 | Confident | 72.4 | Confident | 102 Ų | 102 | 65 Ų | 65 | 71% | 0.713 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.2 | -30.5 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | E274 | E274-S278 VanDerWaalsContact O-CB 3.31Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.48Å; E274-S278 PolarHBondContact O-OG 3.12Å |
| 279 | T | 69.6 | Low | 70.7 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 27% | 0.27 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -88.6 | -14 | -176.5 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | E275 A276 D277 G281 S282 S285 L286 | E275-T279 VanDerWaalsContact O-CB 3.23Å; E275-T279 WeakPolarHBondContact O-CB 3.38Å; E275-T279 PolarHBondContact O-N 2.9Å; E275-T279 VanDerWaalsContact O-N 3.09Å; E275-T279 PolarHBondContact O-OG1 3.31Å; A276-T279 PolarHBondContact O-N 3.18Å; D277-T279 VanDerWaalsContact C-N 3.3Å; D277-T279 PolarHBondContact O-N 3.28Å; T279-G281 PolarHBondContact O-N 2.84Å; T279-S282 PolarHBondContact O-N 3.49Å; T279-S285 WeakPolarHBondContact CG2-OG 3.39Å; T279-L286 HydrophobicContact CG2-CD1 4.34Å |
| 280 | S | 59.2 | Low | 68.8 | Low | 79 Ų | 79 | 66.9 Ų | 66.9 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -6.1 | -176.2 | -172.1 | 0 | 0 | 0 | 0 | 115.2 | L225 A276 D277 | L225-S280 WeakPolarHBondContact CD2-OG 3.46Å; A276-S280 PolarHBondContact O-N 3.3Å; A276-S280 VanDerWaalsContact O-N 3.14Å; D277-S280 PolarHBondContact O-N 3.06Å |
| 281 | G | 52.2 | Low | 66.8 | Low | 79 Ų | 79 | 68.5 Ų | 68.5 | 81% | 0.814 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T279 | T279-G281 PolarHBondContact O-N 2.84Š|
| 282 | S | 43.5 | Very low | 65 | Low | 59 Ų | 59 | 70 Ų | 70 | 41% | 0.413 | 43% | 0.426 | S | S | . | . | trans | -140.3 | 113.7 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 111 | T279 T284 | T279-S282 PolarHBondContact O-N 3.49Å; S282-T284 PolarHBondContact O-N 3.18Å; S282-T284 PolarHBondContact OG-OG1 3.48Å; S282-T284 VanDerWaalsContact OG-OG1 3.09Å | ||
| 283 | P | 48.2 | Very low | 63.3 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 72% | 0.721 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 5.7 | -172.4 | 28.1 | -34.6 | 0 | 0 | 0 | 114.6 | ||
| 284 | T | 50.3 | Low | 61.5 | Low | 87 Ų | 87 | 81.6 Ų | 81.6 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -13.4 | -164.2 | 54.1 | 0 | 0 | 0 | 0 | 115.6 | S282 K288 | S282-T284 PolarHBondContact O-N 3.18Å; S282-T284 PolarHBondContact OG-OG1 3.48Å; S282-T284 VanDerWaalsContact OG-OG1 3.09Å; T284-K288 WeakPolarHBondContact O-CE 3.35Å |
| 285 | S | 49.7 | Very low | 60 | Low | 52 Ų | 52 | 86.6 Ų | 86.6 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -31.3 | -174.8 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | T279 | T279-S285 WeakPolarHBondContact CG2-OG 3.39Š|
| 286 | L | 53.8 | Low | 58.5 | Low | 32 Ų | 32 | 90.2 Ų | 90.2 | 17% | 0.168 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -81.9 | -32.6 | -177.3 | -130.7 | 81.2 | 0 | 0 | 0 | 113.9 | F227 T279 K288 I289 A290 | F227-L286 HydrophobicContact CD1-CD2 4.47Å; F227-L286 HydrophobicContact CE1-CD2 3.48Å; F227-L286 VanDerWaalsContact CE1-CD2 3.48Å; F227-L286 HydrophobicContact CE2-CD2 3.67Å; F227-L286 HydrophobicContact CZ-CB 4.36Å; F227-L286 HydrophobicContact CZ-CD2 3.03Å; F227-L286 HydrophobicContact CZ-CG 4.24Å; T279-L286 HydrophobicContact CG2-CD1 4.34Å; L286-K288 PolarHBondContact O-N 3.14Å; L286-I289 HydrophobicContact CD1-CD1 4.26Å; L286-I289 PolarHBondContact O-N 2.86Å; L286-A290 PolarHBondContact O-N 2.94Å |
| 287 | D | 53.6 | Low | 57.5 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 65% | 0.647 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.1 | -34.6 | 172.5 | -90.9 | -43.3 | 0 | 0 | 0 | 111.9 | I289 A291 | D287-I289 VanDerWaalsContact C-N 3.35Å; D287-I289 PolarHBondContact O-N 3.43Å; D287-A291 VanDerWaalsContact O-CB 3.28Å; D287-A291 WeakPolarHBondContact O-CB 3.27Å; D287-A291 PolarHBondContact O-N 3.27Å; D287-A291 VanDerWaalsContact O-N 3.12Å |
| 288 | K | 52.3 | Low | 56.7 | Low | 150 Ų | 150 | 105.8 Ų | 105.8 | 65% | 0.652 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.9 | -30.3 | 178.1 | -62.5 | -177 | -176.7 | -176.3 | 0 | 112.7 | T284 L286 | T284-K288 WeakPolarHBondContact O-CE 3.35Å; L286-K288 PolarHBondContact O-N 3.14Å |
| 289 | I | 55.6 | Low | 56.5 | Low | 54 Ų | 54 | 111.5 Ų | 111.5 | 28% | 0.277 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -81.5 | -38.6 | -179.9 | -62.6 | 170.1 | 0 | 0 | 0 | 110.5 | T238 L286 D287 A291 Q292 | T238-I289 HydrophobicContact CG2-CG2 4.14Å; L286-I289 HydrophobicContact CD1-CD1 4.26Å; L286-I289 PolarHBondContact O-N 2.86Å; D287-I289 VanDerWaalsContact C-N 3.35Å; D287-I289 PolarHBondContact O-N 3.43Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.33Å; I289-Q292 PolarHBondContact O-N 3.13Å |
| 290 | A | 54.7 | Low | 57.1 | Low | 36 Ų | 36 | 112.8 Ų | 112.8 | 30% | 0.298 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65 | -33.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L286 | L286-A290 PolarHBondContact O-N 2.94Å |
| 291 | A | 52.4 | Low | 58.3 | Low | 82 Ų | 82 | 114.2 Ų | 114.2 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D287 I289 G293 | D287-A291 VanDerWaalsContact O-CB 3.28Å; D287-A291 WeakPolarHBondContact O-CB 3.27Å; D287-A291 PolarHBondContact O-N 3.27Å; D287-A291 VanDerWaalsContact O-N 3.12Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.33Å; A291-G293 VanDerWaalsContact C-N 3.26Å; A291-G293 PolarHBondContact O-N 3.12Å |
| 292 | Q | 53 | Low | 59.9 | Low | 133 Ų | 133 | 112.7 Ų | 112.7 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -79.5 | 77.2 | 176.2 | -79 | -171.9 | -16.9 | 0 | 0 | 110.8 | I289 R294 | I289-Q292 PolarHBondContact O-N 3.13Å; Q292-R294 PolarHBondContact O-N 2.92Å |
| 293 | G | 55.6 | Low | 62.1 | Low | 66 Ų | 66 | 116.2 Ų | 116.2 | 68% | 0.68 | 59% | 0.591 | S | S | * | * | trans | -61.5 | 85.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | A291 K295 | A291-G293 VanDerWaalsContact C-N 3.26Å; A291-G293 PolarHBondContact O-N 3.12Å; G293-K295 PolarHBondContact O-N 3.38Å | ||
| 294 | R | 55.8 | Low | 64.2 | Low | 184 Ų | 184 | 117 Ų | 117 | 69% | 0.694 | 59% | 0.594 | S | S | * | * | trans | -74 | 107.7 | 157.3 | -74.7 | -170.8 | -177 | -112.9 | 1.7 | 108.4 | Q292 R296 | Q292-R294 PolarHBondContact O-N 2.92Å; R294-R296 PolarHBondContact O-N 3.35Å; R294-R296 VanDerWaalsContact O-N 3.15Å | ||
| 295 | K | 58.5 | Low | 66.1 | Low | 212 Ų | 212 | 116.9 Ų | 116.9 | 92% | 0.922 | 60% | 0.596 | S | S | * | * | trans | -60.6 | 115.9 | 175.2 | -85.7 | 176.6 | 175.6 | 171.9 | 0 | 110 | G293 | G293-K295 PolarHBondContact O-N 3.38Š| ||
| 296 | R | 57.5 | Low | 68.2 | Low | 143 Ų | 143 | 115.4 Ų | 115.4 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 143.3 | 171.2 | -176.7 | 176.5 | 173.3 | -136.6 | -3.2 | 110.9 | V243 R294 K298 | V243-R296 HydrophobicContact CB-CB 4.13Å; V243-R296 HydrophobicContact CB-CG 4.25Å; V243-R296 HydrophobicContact CG1-CB 4.03Å; V243-R296 HydrophobicContact CG1-CG 4.3Å; R294-R296 PolarHBondContact O-N 3.35Å; R294-R296 VanDerWaalsContact O-N 3.15Å; R296-K298 PolarHBondContact O-N 3.39Å |
| 297 | K | 64.3 | Low | 70.1 | Confident | 199 Ų | 199 | 118.4 Ų | 118.4 | 87% | 0.865 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.7 | 171.7 | -173.1 | 159 | 179 | 169.3 | 0 | 110 | ||
| 298 | K | 68.2 | Low | 72 | Confident | 197 Ų | 197 | 114.1 Ų | 114.1 | 86% | 0.857 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 137.5 | 177 | -166.6 | 171.3 | -180 | 178.8 | 0 | 108.9 | R296 | R296-K298 PolarHBondContact O-N 3.39Š|
| 299 | R | 78 | Confident | 74 | Confident | 222 Ų | 222 | 109 Ų | 109 | 84% | 0.838 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 136.5 | 171.6 | -169.5 | -175.3 | -134.9 | -170.2 | 3.1 | 108.7 | S301 | R299-S301 PolarHBondContact O-N 3.08Š|
| 300 | T | 82.5 | Confident | 75.9 | Confident | 70 Ų | 70 | 106.5 Ų | 106.5 | 43% | 0.429 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 119.5 | 168.4 | -45.1 | 0 | 0 | 0 | 0 | 109.1 | V338 | T300-V338 HydrophobicContact CG2-CG1 4.22Å; T300-V338 HydrophobicContact CG2-CG2 4.04Å |
| 301 | S | 83.9 | Confident | 77.8 | Confident | 110 Ų | 110 | 108.1 Ų | 108.1 | 77% | 0.769 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 128.9 | 170.9 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | R299 | R299-S301 PolarHBondContact O-N 3.08Š|
| 302 | I | 86.4 | Confident | 79.8 | Confident | 46 Ų | 46 | 107.6 Ų | 107.6 | 24% | 0.236 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 123.9 | 176.6 | -59.4 | 170.9 | 0 | 0 | 0 | 106.8 | V306 K307 L310 L334 V338 W342 | I302-V306 HydrophobicContact CG2-CB 3.94Å; I302-V306 HydrophobicContact CG2-CG1 3.76Å; I302-K307 HydrophobicContact CG2-CB 4.32Å; I302-L310 HydrophobicContact CG2-CD1 4.35Å; I302-L334 HydrophobicContact CG2-CD1 4.46Å; I302-V338 HydrophobicContact CD1-CG1 3.82Å; I302-V338 HydrophobicContact CG1-CG1 4.1Å; I302-W342 HydrophobicContact CD1-CB 4.48Å; I302-W342 HydrophobicContact CD1-CG 4.34Å |
| 303 | E | 90.8 | Very high | 81.8 | Confident | 134 Ų | 134 | 103.5 Ų | 103.5 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -62 | 156.3 | 178.2 | -64.4 | -172.8 | 176.2 | 0 | 0 | 112 | S305 V306 K307 | E303-S305 VanDerWaalsContact C-N 3.33Å; E303-S305 PolarHBondContact O-N 3.38Å; E303-V306 HydrophobicContact CB-CB 4.46Å; E303-V306 HydrophobicContact CB-CG2 4.19Å; E303-V306 PolarHBondContact O-N 2.89Å; E303-K307 WeakPolarHBondContact O-CB 3.27Å; E303-K307 PolarHBondContact O-N 3.45Å |
| 304 | V | 91.4 | Very high | 83.7 | Confident | 128 Ų | 128 | 100.5 Ų | 100.5 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | -177.4 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | K307 G308 | V304-K307 WeakPolarHBondContact O-CB 3.45Å; V304-K307 PolarHBondContact O-N 2.72Å; V304-G308 PolarHBondContact O-N 3.4Å |
| 305 | S | 89.8 | Confident | 85.5 | Confident | 83 Ų | 83 | 98.5 Ų | 98.5 | 58% | 0.58 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.9 | -50.5 | 175.2 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | E303 K307 G308 A309 | E303-S305 VanDerWaalsContact C-N 3.33Å; E303-S305 PolarHBondContact O-N 3.38Å; S305-K307 VanDerWaalsContact C-N 3.33Å; S305-K307 PolarHBondContact O-N 3.04Å; S305-G308 PolarHBondContact O-N 2.98Å; S305-G308 VanDerWaalsContact O-N 3.15Å; S305-A309 PolarHBondContact O-N 3.29Å; S305-A309 VanDerWaalsContact O-N 3.11Å |
| 306 | V | 93.8 | Very high | 87.2 | Confident | 21 Ų | 21 | 97.2 Ų | 97.2 | 13% | 0.127 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | I302 E303 G308 A309 L310 L332 L334 | I302-V306 HydrophobicContact CG2-CB 3.94Å; I302-V306 HydrophobicContact CG2-CG1 3.76Å; E303-V306 HydrophobicContact CB-CB 4.46Å; E303-V306 HydrophobicContact CB-CG2 4.19Å; E303-V306 PolarHBondContact O-N 2.89Å; V306-G308 VanDerWaalsContact C-N 3.33Å; V306-G308 PolarHBondContact O-N 3.44Å; V306-A309 PolarHBondContact O-N 2.99Å; V306-L310 HydrophobicContact CG1-CD1 4.23Å; V306-L310 WeakPolarHBondContact O-CG 3.4Å; V306-L310 PolarHBondContact O-N 3.25Å; V306-L332 HydrophobicContact CG1-CB 4.03Å; V306-L332 HydrophobicContact CG1-CD1 4.15Å; V306-L332 HydrophobicContact CG1-CD2 4.33Å; V306-L332 HydrophobicContact CG1-CG 4.41Å; V306-L334 HydrophobicContact CG1-CD1 3.54Å; V306-L334 HydrophobicContact CG1-CG 4.1Å |
| 307 | K | 93.4 | Very high | 88.7 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 173.9 | -176.7 | -173.2 | 167.7 | -157.8 | 0 | 111.6 | I302 E303 V304 S305 L310 E311 | I302-K307 HydrophobicContact CG2-CB 4.32Å; E303-K307 WeakPolarHBondContact O-CB 3.27Å; E303-K307 PolarHBondContact O-N 3.45Å; V304-K307 WeakPolarHBondContact O-CB 3.45Å; V304-K307 PolarHBondContact O-N 2.72Å; S305-K307 VanDerWaalsContact C-N 3.33Å; S305-K307 PolarHBondContact O-N 3.04Å; K307-L310 PolarHBondContact O-N 2.89Å; K307-E311 WeakPolarHBondContact CE-OE1 3.38Å; K307-E311 IonicContact NZ-OE1 3.85Å; K307-E311 WeakPolarHBondContact O-CG 3.46Å; K307-E311 PolarHBondContact O-N 3.39Å |
| 308 | G | 93.8 | Very high | 90 | Very high | 31 Ų | 31 | 85.2 Ų | 85.2 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V304 S305 V306 E311 S312 | V304-G308 PolarHBondContact O-N 3.4Å; S305-G308 PolarHBondContact O-N 2.98Å; S305-G308 VanDerWaalsContact O-N 3.15Å; V306-G308 VanDerWaalsContact C-N 3.33Å; V306-G308 PolarHBondContact O-N 3.44Å; G308-E311 PolarHBondContact O-N 3.46Å; G308-S312 PolarHBondContact O-N 3.02Å; G308-S312 PolarHBondContact O-OG 2.94Å; G308-S312 VanDerWaalsContact O-OG 3.1Å |
| 309 | A | 93.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 83.4 Ų | 83.4 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S305 V306 E311 S312 H313 L332 | S305-A309 PolarHBondContact O-N 3.29Å; S305-A309 VanDerWaalsContact O-N 3.11Å; V306-A309 PolarHBondContact O-N 2.99Å; A309-E311 PolarHBondContact O-N 2.78Å; A309-S312 PolarHBondContact O-N 3.31Å; A309-H313 PolarHBondContact O-N 3.5Å; A309-L332 HydrophobicContact CB-CD2 3.76Å |
| 310 | L | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 175 | -71 | 169.9 | 0 | 0 | 0 | 112.2 | I302 V306 K307 H313 F314 L332 L334 V339 W342 F343 | I302-L310 HydrophobicContact CG2-CD1 4.35Å; V306-L310 HydrophobicContact CG1-CD1 4.23Å; V306-L310 WeakPolarHBondContact O-CG 3.4Å; V306-L310 PolarHBondContact O-N 3.25Å; K307-L310 PolarHBondContact O-N 2.89Å; L310-H313 PolarHBondContact O-N 3.34Å; L310-F314 WeakPolarHBondContact O-CB 3.4Å; L310-F314 PolarHBondContact O-N 3.16Å; L310-L332 HydrophobicContact CD2-CD1 3.51Å; L310-L332 HydrophobicContact CG-CD1 3.71Å; L310-L334 HydrophobicContact CD1-CD1 4.26Å; L310-V339 HydrophobicContact CD2-CG1 4.06Å; L310-W342 HydrophobicContact CB-CD2 3.99Å; L310-W342 HydrophobicContact CB-CE3 3.89Å; L310-W342 HydrophobicContact CB-CH2 3.57Å; L310-W342 HydrophobicContact CB-CZ2 3.61Å; L310-W342 HydrophobicContact CB-CZ3 3.7Å; L310-W342 HydrophobicContact CD1-CD2 3.83Å; L310-W342 HydrophobicContact CD1-CE3 4.32Å; L310-W342 HydrophobicContact CD1-CG 3.91Å; L310-W342 HydrophobicContact CD2-CE3 4.34Å; L310-W342 HydrophobicContact CG-CD2 4.38Å; L310-W342 HydrophobicContact CG-CE3 4.42Å; L310-W342 WeakPolarHBondContact O-CH2 3.41Å; L310-F343 HydrophobicContact CD2-CE2 3.87Å; L310-F343 HydrophobicContact CD2-CZ 4.45Å |
| 311 | E | 95.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 72.6 Ų | 72.6 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175.4 | -74.6 | -178.7 | 176.6 | 0 | 0 | 112.1 | K307 G308 A309 H313 F314 L315 W342 | K307-E311 WeakPolarHBondContact CE-OE1 3.38Å; K307-E311 IonicContact NZ-OE1 3.85Å; K307-E311 WeakPolarHBondContact O-CG 3.46Å; K307-E311 PolarHBondContact O-N 3.39Å; G308-E311 PolarHBondContact O-N 3.46Å; A309-E311 PolarHBondContact O-N 2.78Å; E311-H313 PolarHBondContact O-N 2.88Å; E311-F314 WeakPolarHBondContact O-CB 3.12Å; E311-F314 PolarHBondContact O-N 3.06Å; E311-L315 PolarHBondContact O-N 3.03Å; E311-W342 HydrophobicContact CG-CH2 3.99Å; E311-W342 HydrophobicContact CG-CZ2 3.78Å |
| 312 | S | 94.9 | Very high | 93.1 | Very high | 71 Ų | 71 | 70.4 Ų | 70.4 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 176.4 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | G308 A309 | G308-S312 PolarHBondContact O-N 3.02Å; G308-S312 PolarHBondContact O-OG 2.94Å; G308-S312 VanDerWaalsContact O-OG 3.1Å; A309-S312 PolarHBondContact O-N 3.31Å |
| 313 | H | 94.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 72 Ų | 72 | 22% | 0.218 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 173.9 | -165.4 | -75.3 | 0 | 0 | 0 | 112 | A309 L310 E311 L315 K316 C317 L328 F343 | A309-H313 PolarHBondContact O-N 3.5Å; L310-H313 PolarHBondContact O-N 3.34Å; E311-H313 PolarHBondContact O-N 2.88Å; H313-L315 VanDerWaalsContact C-N 3.29Å; H313-L315 PolarHBondContact O-N 2.93Å; H313-K316 PolarHBondContact O-N 3.45Å; H313-K316 VanDerWaalsContact O-N 3.1Å; H313-C317 PolarHBondContact O-N 2.91Å; H313-L328 HydrophobicContact CB-CD1 4.46Å; H313-L328 HydrophobicContact CB-CD2 4.43Å; H313-F343 HydrophobicContact CB-CZ 4.31Å; H313-F343 AromaticContact ND1-CZ 3.86Å |
| 314 | F | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 1% | 0.013 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 178.4 | -177 | -93.4 | 0 | 0 | 0 | 112.8 | L310 E311 K316 C317 P318 W342 F343 R346 R347 | L310-F314 WeakPolarHBondContact O-CB 3.4Å; L310-F314 PolarHBondContact O-N 3.16Å; E311-F314 WeakPolarHBondContact O-CB 3.12Å; E311-F314 PolarHBondContact O-N 3.06Å; F314-K316 VanDerWaalsContact C-N 3.27Å; F314-K316 PolarHBondContact O-N 3.24Å; F314-C317 CarbonylContact O-C 3.39Å; F314-P318 HydrophobicContact CD2-CB 4.39Å; F314-P318 HydrophobicContact CE2-CB 3.93Å; F314-P318 HydrophobicContact CZ-CB 3.99Å; F314-P318 WeakPolarHBondContact O-CA 3.19Å; F314-P318 WeakPolarHBondContact O-CD 3.33Å; F314-P318 WeakPolarHBondContact O-CG 3.28Å; F314-W342 HydrophobicContact CB-CH2 4.14Å; F314-W342 HydrophobicContact CB-CZ3 4.15Å; F314-W342 HydrophobicContact CD2-CZ3 4.35Å; F314-F343 HydrophobicContact CB-CE1 4.09Å; F314-F343 AromaticContact CD2-CD1 3.78Å; F314-F343 HydrophobicContact CD2-CD1 3.78Å; F314-F343 AromaticContact CD2-CE1 3.98Å; F314-F343 HydrophobicContact CD2-CE1 3.98Å; F314-R346 HydrophobicContact CD1-CG 4.01Å; F314-R346 HydrophobicContact CD2-CB 4.15Å; F314-R346 HydrophobicContact CD2-CG 3.6Å; F314-R346 HydrophobicContact CE1-CG 4.04Å; F314-R346 HydrophobicContact CE2-CB 4.05Å; F314-R346 HydrophobicContact CE2-CG 3.64Å; F314-R346 HydrophobicContact CG-CG 3.81Å; F314-R346 HydrophobicContact CZ-CG 3.87Å; F314-R347 HydrophobicContact CE2-CG 3.64Å; F314-R347 HydrophobicContact CZ-CG 4.05Å |
| 315 | L | 93.6 | Very high | 93.9 | Very high | 142 Ų | 142 | 63.9 Ų | 63.9 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -31 | 177.4 | -67.7 | 170.9 | 0 | 0 | 0 | 112.9 | E311 H313 | E311-L315 PolarHBondContact O-N 3.03Å; H313-L315 VanDerWaalsContact C-N 3.29Å; H313-L315 PolarHBondContact O-N 2.93Å |
| 316 | K | 93.6 | Very high | 94.2 | Very high | 184 Ų | 184 | 63.3 Ų | 63.3 | 80% | 0.8 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -82.2 | -46.8 | 177.8 | -62.5 | 178 | -177.3 | 178.8 | 0 | 111.9 | H313 F314 | H313-K316 PolarHBondContact O-N 3.45Å; H313-K316 VanDerWaalsContact O-N 3.1Å; F314-K316 VanDerWaalsContact C-N 3.27Å; F314-K316 PolarHBondContact O-N 3.24Å |
| 317 | C | 89.6 | Confident | 94.3 | Very high | 37 Ų | 37 | 66.9 Ų | 66.9 | 25% | 0.25 | 38% | 0.379 | C | S | . | . | trans | -139.6 | 96.7 | -178.3 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | H313 F314 K319 | H313-C317 PolarHBondContact O-N 2.91Å; F314-C317 CarbonylContact O-C 3.39Å; C317-K319 PolarHBondContact O-N 3.43Å | ||
| 318 | P | 91.7 | Very high | 94.4 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -69.1 | -17.9 | -179.9 | -21.8 | 32.3 | 0 | 0 | 0 | 114.2 | F314 R347 | F314-P318 HydrophobicContact CD2-CB 4.39Å; F314-P318 HydrophobicContact CE2-CB 3.93Å; F314-P318 HydrophobicContact CZ-CB 3.99Å; F314-P318 WeakPolarHBondContact O-CA 3.19Å; F314-P318 WeakPolarHBondContact O-CD 3.33Å; F314-P318 WeakPolarHBondContact O-CG 3.28Å; P318-R347 VanDerWaalsContact O-CD 3.3Å; P318-R347 WeakPolarHBondContact O-CD 3.43Å |
| 319 | K | 93.7 | Very high | 94.5 | Very high | 159 Ų | 159 | 61.9 Ų | 61.9 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -127.8 | 70.5 | 179.8 | -69.1 | -179.9 | -178.7 | 172 | 0 | 109.6 | C317 | C317-K319 PolarHBondContact O-N 3.43Š|
| 320 | P | 93.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 65 Ų | 65 | 10% | 0.104 | 36% | 0.36 | C | S | . | . | trans | -61.5 | 143.2 | 180 | 27 | -34.9 | 0 | 0 | 0 | 111 | E324 I325 F343 | P320-E324 WeakPolarHBondContact CA-OE2 3.37Å; P320-E324 HydrophobicContact CB-CB 4Å; P320-E324 WeakPolarHBondContact CB-OE2 3.47Å; P320-I325 HydrophobicContact CB-CG1 4.16Å; P320-I325 HydrophobicContact CG-CD1 4.4Å; P320-I325 HydrophobicContact CG-CG1 3.92Å; P320-F343 VanDerWaalsContact CD-CD1 3.47Å; P320-F343 HydrophobicContact CG-CB 4.49Å; P320-F343 HydrophobicContact CG-CD1 3.61Å; P320-F343 HydrophobicContact CG-CD2 3.88Å; P320-F343 HydrophobicContact CG-CE1 3.69Å; P320-F343 HydrophobicContact CG-CE2 3.96Å; P320-F343 HydrophobicContact CG-CG 3.73Å; P320-F343 HydrophobicContact CG-CZ 3.88Å | ||
| 321 | A | 95.6 | Very high | 94.5 | Very high | 49 Ų | 49 | 68.6 Ų | 68.6 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | trans | -67.8 | 164 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S323 E324 I325 | A321-S323 PolarHBondContact O-N 3.35Å; A321-E324 HydrophobicContact CB-CG 4.29Å; A321-E324 PolarHBondContact N-OE2 2.86Å; A321-E324 PolarHBondContact O-N 3.16Å; A321-E324 VanDerWaalsContact O-N 3.13Å; A321-I325 WeakPolarHBondContact O-CG1 3.44Å; A321-I325 PolarHBondContact O-N 2.72Å | ||
| 322 | A | 94.9 | Very high | 94.5 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -34.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I326 | A322-I326 WeakPolarHBondContact O-CG1 3.26Å; A322-I326 PolarHBondContact O-N 3.22Å |
| 323 | S | 95.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 71.7 Ų | 71.7 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 174.2 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | A321 I325 I326 T327 | A321-S323 PolarHBondContact O-N 3.35Å; S323-I325 VanDerWaalsContact C-N 3.31Å; S323-I325 PolarHBondContact O-N 3.26Å; S323-I326 WeakPolarHBondContact O-CB 3.36Å; S323-I326 PolarHBondContact O-N 3.29Å; S323-I326 VanDerWaalsContact O-N 3.09Å; S323-T327 PolarHBondContact O-N 3.5Å; S323-T327 PolarHBondContact O-OG1 3.42Å |
| 324 | E | 94.9 | Very high | 94.4 | Very high | 74 Ų | 74 | 71 Ų | 71 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 178.1 | -61.8 | 177.7 | 144.9 | 0 | 0 | 111.9 | P320 A321 I326 T327 L328 | P320-E324 WeakPolarHBondContact CA-OE2 3.37Å; P320-E324 HydrophobicContact CB-CB 4Å; P320-E324 WeakPolarHBondContact CB-OE2 3.47Å; A321-E324 HydrophobicContact CB-CG 4.29Å; A321-E324 PolarHBondContact N-OE2 2.86Å; A321-E324 PolarHBondContact O-N 3.16Å; A321-E324 VanDerWaalsContact O-N 3.13Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 2.91Å; E324-T327 PolarHBondContact O-N 3.12Å; E324-L328 WeakPolarHBondContact O-CB 3.48Å; E324-L328 WeakPolarHBondContact O-CG 3.46Å; E324-L328 PolarHBondContact O-N 3.47Å |
| 325 | I | 95.7 | Very high | 94.3 | Very high | 18 Ų | 18 | 77.3 Ų | 77.3 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 174.1 | -67 | 171.5 | 0 | 0 | 0 | 111 | P320 A321 S323 A329 K336 V339 R340 | P320-I325 HydrophobicContact CB-CG1 4.16Å; P320-I325 HydrophobicContact CG-CD1 4.4Å; P320-I325 HydrophobicContact CG-CG1 3.92Å; A321-I325 WeakPolarHBondContact O-CG1 3.44Å; A321-I325 PolarHBondContact O-N 2.72Å; S323-I325 VanDerWaalsContact C-N 3.31Å; S323-I325 PolarHBondContact O-N 3.26Å; I325-A329 VanDerWaalsContact O-CB 3.23Å; I325-A329 WeakPolarHBondContact O-CB 3.35Å; I325-A329 PolarHBondContact O-N 2.81Å; I325-K336 HydrophobicContact CG2-CG 3.94Å; I325-V339 HydrophobicContact CG2-CB 4.16Å; I325-V339 HydrophobicContact CG2-CG1 4.06Å; I325-R340 HydrophobicContact CD1-CB 4.4Å; I325-R340 HydrophobicContact CD1-CG 4.22Å; I325-R340 HydrophobicContact CG2-CB 4.26Å |
| 326 | I | 96.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 75.7 Ų | 75.7 | 36% | 0.359 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -50.5 | 176.8 | -65.5 | 162.4 | 0 | 0 | 0 | 109.6 | A322 S323 E324 L328 A329 D330 K336 | A322-I326 WeakPolarHBondContact O-CG1 3.26Å; A322-I326 PolarHBondContact O-N 3.22Å; S323-I326 WeakPolarHBondContact O-CB 3.36Å; S323-I326 PolarHBondContact O-N 3.29Å; S323-I326 VanDerWaalsContact O-N 3.09Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 2.91Å; I326-L328 VanDerWaalsContact C-N 3.29Å; I326-L328 PolarHBondContact O-N 3.01Å; I326-A329 WeakPolarHBondContact O-CB 3.44Å; I326-A329 PolarHBondContact O-N 2.98Å; I326-D330 PolarHBondContact O-N 3.19Å; I326-K336 HydrophobicContact CG1-CD 3.87Å; I326-K336 HydrophobicContact CG1-CG 4.28Å |
| 327 | T | 95.8 | Very high | 94.4 | Very high | 96 Ų | 96 | 71.4 Ų | 71.4 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.7 | -39.9 | 178.5 | -51.8 | 0 | 0 | 0 | 0 | 112.6 | S323 E324 S331 | S323-T327 PolarHBondContact O-N 3.5Å; S323-T327 PolarHBondContact O-OG1 3.42Å; E324-T327 PolarHBondContact O-N 3.12Å; T327-S331 WeakPolarHBondContact O-CB 3.05Å; T327-S331 PolarHBondContact O-N 3.4Å; T327-S331 PolarHBondContact O-OG 2.94Å |
| 328 | L | 95.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 70.8 Ų | 70.8 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 174.8 | -77.4 | 170.7 | 0 | 0 | 0 | 112.4 | H313 E324 I326 S331 L332 V339 F343 | H313-L328 HydrophobicContact CB-CD1 4.46Å; H313-L328 HydrophobicContact CB-CD2 4.43Å; E324-L328 WeakPolarHBondContact O-CB 3.48Å; E324-L328 WeakPolarHBondContact O-CG 3.46Å; E324-L328 PolarHBondContact O-N 3.47Å; I326-L328 VanDerWaalsContact C-N 3.29Å; I326-L328 PolarHBondContact O-N 3.01Å; L328-S331 WeakPolarHBondContact CA-OG 3.3Å; L328-S331 PolarHBondContact O-OG 3.17Å; L328-L332 HydrophobicContact CD2-CD1 4.49Å; L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.09Å; L328-V339 HydrophobicContact CB-CG1 4.2Å; L328-F343 HydrophobicContact CD1-CE2 3.88Å; L328-F343 HydrophobicContact CD1-CZ 3.96Å |
| 329 | A | 95.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.017 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I325 I326 H333 L334 K336 V339 | I325-A329 VanDerWaalsContact O-CB 3.23Å; I325-A329 WeakPolarHBondContact O-CB 3.35Å; I325-A329 PolarHBondContact O-N 2.81Å; I326-A329 WeakPolarHBondContact O-CB 3.44Å; I326-A329 PolarHBondContact O-N 2.98Å; A329-H333 WeakPolarHBondContact O-CA 3.42Å; A329-H333 PolarHBondContact O-N 2.88Å; A329-L334 WeakPolarHBondContact CB-O 3.48Å; A329-L334 PolarHBondContact O-N 2.88Å; A329-K336 HydrophobicContact CB-CB 4.44Å; A329-V339 HydrophobicContact CB-CG2 3.96Å |
| 330 | D | 95.8 | Very high | 95 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.9 | -44.7 | 179.9 | -65 | -23.3 | 0 | 0 | 0 | 111.9 | I326 L332 H333 | I326-D330 PolarHBondContact O-N 3.19Å; D330-L332 PolarHBondContact O-N 3.32Å; D330-H333 PolarHBondContact O-N 3.05Å; D330-H333 PolarHBondContact O-ND1 3.3Å |
| 331 | S | 94.7 | Very high | 95.2 | Very high | 77 Ų | 77 | 67.2 Ų | 67.2 | 54% | 0.538 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.9 | -29.2 | 179.2 | 55.6 | 0 | 0 | 0 | 0 | 114 | T327 L328 | T327-S331 WeakPolarHBondContact O-CB 3.05Å; T327-S331 PolarHBondContact O-N 3.4Å; T327-S331 PolarHBondContact O-OG 2.94Å; L328-S331 WeakPolarHBondContact CA-OG 3.3Å; L328-S331 PolarHBondContact O-OG 3.17Å |
| 332 | L | 93.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 1.9 | 178.5 | -60.8 | 174.4 | 0 | 0 | 0 | 113.2 | V306 A309 L310 L328 D330 L334 | V306-L332 HydrophobicContact CG1-CB 4.03Å; V306-L332 HydrophobicContact CG1-CD1 4.15Å; V306-L332 HydrophobicContact CG1-CD2 4.33Å; V306-L332 HydrophobicContact CG1-CG 4.41Å; A309-L332 HydrophobicContact CB-CD2 3.76Å; L310-L332 HydrophobicContact CD2-CD1 3.51Å; L310-L332 HydrophobicContact CG-CD1 3.71Å; L328-L332 HydrophobicContact CD2-CD1 4.49Å; L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.09Å; D330-L332 PolarHBondContact O-N 3.32Å; L332-L334 HydrophobicContact CB-CD1 4.45Å; L332-L334 HydrophobicContact CB-CG 4.29Å; L332-L334 PolarHBondContact O-N 3.05Å |
| 333 | H | 93.8 | Very high | 95.3 | Very high | 175 Ų | 175 | 63.4 Ų | 63.4 | 81% | 0.81 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.4 | -175.3 | -56.6 | -53.8 | 0 | 0 | 0 | 113.5 | A329 D330 | A329-H333 WeakPolarHBondContact O-CA 3.42Å; A329-H333 PolarHBondContact O-N 2.88Å; D330-H333 PolarHBondContact O-N 3.05Å; D330-H333 PolarHBondContact O-ND1 3.3Å |
| 334 | L | 94 | Very high | 95.2 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | trans | -111.7 | 157.3 | 175.9 | -68.8 | -177 | 0 | 0 | 0 | 111 | I302 V306 L310 A329 L332 V338 V339 | I302-L334 HydrophobicContact CG2-CD1 4.46Å; V306-L334 HydrophobicContact CG1-CD1 3.54Å; V306-L334 HydrophobicContact CG1-CG 4.1Å; L310-L334 HydrophobicContact CD1-CD1 4.26Å; A329-L334 WeakPolarHBondContact CB-O 3.48Å; A329-L334 PolarHBondContact O-N 2.88Å; L332-L334 HydrophobicContact CB-CD1 4.45Å; L332-L334 HydrophobicContact CB-CG 4.29Å; L332-L334 PolarHBondContact O-N 3.05Å; L334-V338 HydrophobicContact CD1-CG1 4.37Å; L334-V339 HydrophobicContact CB-CG2 3.86Å; L334-V339 HydrophobicContact CD1-CG2 4.06Å | ||
| 335 | E | 93.9 | Very high | 95.2 | Very high | 135 Ų | 135 | 61.6 Ų | 61.6 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | trans | -65.5 | 138.7 | 168.3 | -67.9 | 176.4 | -133.5 | 0 | 0 | 110.8 | E337 V338 V339 | E335-E337 PolarHBondContact O-N 3.42Å; E335-E337 VanDerWaalsContact O-N 3.08Å; E335-V338 HydrophobicContact CB-CB 4.37Å; E335-V338 HydrophobicContact CB-CG2 3.93Å; E335-V338 WeakPolarHBondContact O-CA 3.42Å; E335-V338 WeakPolarHBondContact O-CB 3.36Å; E335-V338 PolarHBondContact O-N 3.23Å; E335-V339 PolarHBondContact O-N 2.98Å | ||
| 336 | K | 94.9 | Very high | 95.2 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 47% | 0.47 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -47.3 | -41.2 | 175 | -177.5 | -172.4 | 177.2 | 176.9 | 0 | 112.6 | I325 I326 A329 V339 R340 | I325-K336 HydrophobicContact CG2-CG 3.94Å; I326-K336 HydrophobicContact CG1-CD 3.87Å; I326-K336 HydrophobicContact CG1-CG 4.28Å; A329-K336 HydrophobicContact CB-CB 4.44Å; K336-V339 PolarHBondContact O-N 2.85Å; K336-R340 WeakPolarHBondContact O-CB 3.33Å; K336-R340 PolarHBondContact O-N 2.99Å |
| 337 | E | 94.6 | Very high | 95.1 | Very high | 94 Ų | 94 | 64.7 Ų | 64.7 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.6 | -35.5 | -179.2 | -175.4 | 58.8 | -166.4 | 0 | 0 | 112.4 | E335 R340 V341 | E335-E337 PolarHBondContact O-N 3.42Å; E335-E337 VanDerWaalsContact O-N 3.08Å; E337-R340 PolarHBondContact O-N 3.35Å; E337-R340 IonicContact OE1-CZ 2.77Å; E337-R340 IonicContact OE1-NE 2.63Å; E337-R340 PolarHBondContact OE1-NE 3.03Å; E337-R340 IonicContact OE1-NH2 3.56Å; E337-R340 PolarHBondContact OE1-NH2 3.21Å; E337-R340 IonicContact OE2-CZ 3.36Å; E337-R340 IonicContact OE2-NE 3.37Å; E337-R340 PolarHBondContact OE2-NE 3.32Å; E337-R340 IonicContact OE2-NH2 3.17Å; E337-V341 HydrophobicContact CG-CG2 4.38Å; E337-V341 VanDerWaalsContact O-CB 3.3Å; E337-V341 WeakPolarHBondContact O-CB 3.08Å; E337-V341 WeakPolarHBondContact O-CG2 3.33Å; E337-V341 PolarHBondContact O-N 3.43Å; E337-V341 WeakPolarHBondContact OE1-CG2 3.31Å |
| 338 | V | 95.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 176.4 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | T300 I302 L334 E335 V341 W342 | T300-V338 HydrophobicContact CG2-CG1 4.22Å; T300-V338 HydrophobicContact CG2-CG2 4.04Å; I302-V338 HydrophobicContact CD1-CG1 3.82Å; I302-V338 HydrophobicContact CG1-CG1 4.1Å; L334-V338 HydrophobicContact CD1-CG1 4.37Å; E335-V338 HydrophobicContact CB-CB 4.37Å; E335-V338 HydrophobicContact CB-CG2 3.93Å; E335-V338 WeakPolarHBondContact O-CA 3.42Å; E335-V338 WeakPolarHBondContact O-CB 3.36Å; E335-V338 PolarHBondContact O-N 3.23Å; V338-V341 PolarHBondContact O-N 2.98Å; V338-W342 VanDerWaalsContact O-CB 3.26Å; V338-W342 WeakPolarHBondContact O-CB 3.36Å; V338-W342 PolarHBondContact O-N 3.2Å |
| 339 | V | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | L310 I325 L328 A329 L334 E335 K336 V341 W342 F343 | L310-V339 HydrophobicContact CD2-CG1 4.06Å; I325-V339 HydrophobicContact CG2-CB 4.16Å; I325-V339 HydrophobicContact CG2-CG1 4.06Å; L328-V339 HydrophobicContact CB-CG1 4.2Å; A329-V339 HydrophobicContact CB-CG2 3.96Å; L334-V339 HydrophobicContact CB-CG2 3.86Å; L334-V339 HydrophobicContact CD1-CG2 4.06Å; E335-V339 PolarHBondContact O-N 2.98Å; K336-V339 PolarHBondContact O-N 2.85Å; V339-V341 PolarHBondContact O-N 3.38Å; V339-W342 WeakPolarHBondContact O-CB 3.31Å; V339-W342 PolarHBondContact O-N 3.09Å; V339-W342 VanDerWaalsContact O-N 3.16Å; V339-F343 HydrophobicContact CG1-CD2 3.87Å; V339-F343 HydrophobicContact CG1-CE2 3.78Å; V339-F343 WeakPolarHBondContact O-CD2 3.23Å; V339-F343 PolarHBondContact O-N 3.31Å |
| 340 | R | 96.4 | Very high | 94.3 | Very high | 101 Ų | 101 | 72.9 Ų | 72.9 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57 | -48.8 | 177.6 | -169.5 | -166.6 | 72.2 | 76.1 | -0.9 | 112.4 | I325 K336 E337 W342 F343 C344 | I325-R340 HydrophobicContact CD1-CB 4.4Å; I325-R340 HydrophobicContact CD1-CG 4.22Å; I325-R340 HydrophobicContact CG2-CB 4.26Å; K336-R340 WeakPolarHBondContact O-CB 3.33Å; K336-R340 PolarHBondContact O-N 2.99Å; E337-R340 PolarHBondContact O-N 3.35Å; E337-R340 IonicContact OE1-CZ 2.77Å; E337-R340 IonicContact OE1-NE 2.63Å; E337-R340 PolarHBondContact OE1-NE 3.03Å; E337-R340 IonicContact OE1-NH2 3.56Å; E337-R340 PolarHBondContact OE1-NH2 3.21Å; E337-R340 IonicContact OE2-CZ 3.36Å; E337-R340 IonicContact OE2-NE 3.37Å; E337-R340 PolarHBondContact OE2-NE 3.32Å; E337-R340 IonicContact OE2-NH2 3.17Å; R340-W342 VanDerWaalsContact C-N 3.32Å; R340-F343 PolarHBondContact O-N 2.85Å; R340-C344 PolarHBondContact O-N 3.14Å; R340-C344 VanDerWaalsContact O-N 3.1Å; R340-C344 PolarHBondContact O-SG 2.69Å |
| 341 | V | 95.8 | Very high | 93.9 | Very high | 54 Ų | 54 | 76.7 Ų | 76.7 | 33% | 0.327 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 178.1 | 169.9 | 0 | 0 | 0 | 0 | 111 | E337 V338 V339 C344 N345 | E337-V341 HydrophobicContact CG-CG2 4.38Å; E337-V341 VanDerWaalsContact O-CB 3.3Å; E337-V341 WeakPolarHBondContact O-CB 3.08Å; E337-V341 WeakPolarHBondContact O-CG2 3.33Å; E337-V341 PolarHBondContact O-N 3.43Å; E337-V341 WeakPolarHBondContact OE1-CG2 3.31Å; V338-V341 PolarHBondContact O-N 2.98Å; V339-V341 PolarHBondContact O-N 3.38Å; V341-C344 PolarHBondContact O-N 3.39Å; V341-N345 WeakPolarHBondContact CG1-ND2 3.1Å; V341-N345 WeakPolarHBondContact O-CB 3.1Å; V341-N345 VanDerWaalsContact O-CG 3.26Å; V341-N345 PolarHBondContact O-N 2.93Å; V341-N345 PolarHBondContact O-ND2 2.69Å |
| 342 | W | 96.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 81.8 Ų | 81.8 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 175.6 | -175.5 | 97.2 | 0 | 0 | 0 | 111.5 | I302 L310 E311 F314 V338 V339 R340 C344 N345 R346 | I302-W342 HydrophobicContact CD1-CB 4.48Å; I302-W342 HydrophobicContact CD1-CG 4.34Å; L310-W342 HydrophobicContact CB-CD2 3.99Å; L310-W342 HydrophobicContact CB-CE3 3.89Å; L310-W342 HydrophobicContact CB-CH2 3.57Å; L310-W342 HydrophobicContact CB-CZ2 3.61Å; L310-W342 HydrophobicContact CB-CZ3 3.7Å; L310-W342 HydrophobicContact CD1-CD2 3.83Å; L310-W342 HydrophobicContact CD1-CE3 4.32Å; L310-W342 HydrophobicContact CD1-CG 3.91Å; L310-W342 HydrophobicContact CD2-CE3 4.34Å; L310-W342 HydrophobicContact CG-CD2 4.38Å; L310-W342 HydrophobicContact CG-CE3 4.42Å; L310-W342 WeakPolarHBondContact O-CH2 3.41Å; E311-W342 HydrophobicContact CG-CH2 3.99Å; E311-W342 HydrophobicContact CG-CZ2 3.78Å; F314-W342 HydrophobicContact CB-CH2 4.14Å; F314-W342 HydrophobicContact CB-CZ3 4.15Å; F314-W342 HydrophobicContact CD2-CZ3 4.35Å; V338-W342 VanDerWaalsContact O-CB 3.26Å; V338-W342 WeakPolarHBondContact O-CB 3.36Å; V338-W342 PolarHBondContact O-N 3.2Å; V339-W342 WeakPolarHBondContact O-CB 3.31Å; V339-W342 PolarHBondContact O-N 3.09Å; V339-W342 VanDerWaalsContact O-N 3.16Å; R340-W342 VanDerWaalsContact C-N 3.32Å; W342-C344 VanDerWaalsContact C-N 3.3Å; W342-C344 PolarHBondContact O-N 3.01Å; W342-N345 PolarHBondContact O-N 3.33Å; W342-R346 HydrophobicContact CE3-CB 4.23Å; W342-R346 HydrophobicContact CH2-CB 4.07Å; W342-R346 HydrophobicContact CH2-CG 3.78Å; W342-R346 HydrophobicContact CZ2-CB 4.4Å; W342-R346 HydrophobicContact CZ2-CG 4.27Å; W342-R346 HydrophobicContact CZ3-CB 3.98Å; W342-R346 HydrophobicContact CZ3-CG 4.08Å; W342-R346 WeakPolarHBondContact O-CB 3.09Å; W342-R346 PolarHBondContact O-N 3.09Å |
| 343 | F | 96.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.5 | -84.9 | -85.8 | 0 | 0 | 0 | 111.9 | L310 H313 F314 P320 L328 V339 R340 R346 R347 | L310-F343 HydrophobicContact CD2-CE2 3.87Å; L310-F343 HydrophobicContact CD2-CZ 4.45Å; H313-F343 HydrophobicContact CB-CZ 4.31Å; H313-F343 AromaticContact ND1-CZ 3.86Å; F314-F343 HydrophobicContact CB-CE1 4.09Å; F314-F343 AromaticContact CD2-CD1 3.78Å; F314-F343 HydrophobicContact CD2-CD1 3.78Å; F314-F343 AromaticContact CD2-CE1 3.98Å; F314-F343 HydrophobicContact CD2-CE1 3.98Å; P320-F343 VanDerWaalsContact CD-CD1 3.47Å; P320-F343 HydrophobicContact CG-CB 4.49Å; P320-F343 HydrophobicContact CG-CD1 3.61Å; P320-F343 HydrophobicContact CG-CD2 3.88Å; P320-F343 HydrophobicContact CG-CE1 3.69Å; P320-F343 HydrophobicContact CG-CE2 3.96Å; P320-F343 HydrophobicContact CG-CG 3.73Å; P320-F343 HydrophobicContact CG-CZ 3.88Å; L328-F343 HydrophobicContact CD1-CE2 3.88Å; L328-F343 HydrophobicContact CD1-CZ 3.96Å; V339-F343 HydrophobicContact CG1-CD2 3.87Å; V339-F343 HydrophobicContact CG1-CE2 3.78Å; V339-F343 WeakPolarHBondContact O-CD2 3.23Å; V339-F343 PolarHBondContact O-N 3.31Å; R340-F343 PolarHBondContact O-N 2.85Å; F343-R346 PolarHBondContact O-N 3.48Å; F343-R347 WeakPolarHBondContact O-CG 3.28Å; F343-R347 PolarHBondContact O-N 3.39Å |
| 344 | C | 94.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 82.8 Ų | 82.8 | 22% | 0.216 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 174.2 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | R340 V341 W342 R346 Q348 | R340-C344 PolarHBondContact O-N 3.14Å; R340-C344 VanDerWaalsContact O-N 3.1Å; R340-C344 PolarHBondContact O-SG 2.69Å; V341-C344 PolarHBondContact O-N 3.39Å; W342-C344 VanDerWaalsContact C-N 3.3Å; W342-C344 PolarHBondContact O-N 3.01Å; C344-R346 VanDerWaalsContact C-N 3.34Å; C344-R346 PolarHBondContact O-N 2.73Å; C344-Q348 VanDerWaalsContact O-CG 3.31Å; C344-Q348 WeakPolarHBondContact O-CG 3.43Å; C344-Q348 PolarHBondContact O-N 3.08Å; C344-Q348 VanDerWaalsContact O-N 3.13Å |
| 345 | N | 94.8 | Very high | 89.6 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 178 | -71.2 | -20.2 | 0 | 0 | 0 | 111.7 | V341 W342 Q348 K349 | V341-N345 WeakPolarHBondContact CG1-ND2 3.1Å; V341-N345 WeakPolarHBondContact O-CB 3.1Å; V341-N345 VanDerWaalsContact O-CG 3.26Å; V341-N345 PolarHBondContact O-N 2.93Å; V341-N345 PolarHBondContact O-ND2 2.69Å; W342-N345 PolarHBondContact O-N 3.33Å; N345-Q348 PolarHBondContact O-N 3.41Å; N345-K349 PolarHBondContact O-N 2.92Å |
| 346 | R | 94.8 | Very high | 87.8 | Confident | 62 Ų | 62 | 86.2 Ų | 86.2 | 23% | 0.234 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | -179 | -175.6 | 62.8 | -172.5 | 83 | -0.1 | 112.3 | F314 W342 F343 C344 K349 E350 | F314-R346 HydrophobicContact CD1-CG 4.01Å; F314-R346 HydrophobicContact CD2-CB 4.15Å; F314-R346 HydrophobicContact CD2-CG 3.6Å; F314-R346 HydrophobicContact CE1-CG 4.04Å; F314-R346 HydrophobicContact CE2-CB 4.05Å; F314-R346 HydrophobicContact CE2-CG 3.64Å; F314-R346 HydrophobicContact CG-CG 3.81Å; F314-R346 HydrophobicContact CZ-CG 3.87Å; W342-R346 HydrophobicContact CE3-CB 4.23Å; W342-R346 HydrophobicContact CH2-CB 4.07Å; W342-R346 HydrophobicContact CH2-CG 3.78Å; W342-R346 HydrophobicContact CZ2-CB 4.4Å; W342-R346 HydrophobicContact CZ2-CG 4.27Å; W342-R346 HydrophobicContact CZ3-CB 3.98Å; W342-R346 HydrophobicContact CZ3-CG 4.08Å; W342-R346 WeakPolarHBondContact O-CB 3.09Å; W342-R346 PolarHBondContact O-N 3.09Å; F343-R346 PolarHBondContact O-N 3.48Å; C344-R346 VanDerWaalsContact C-N 3.34Å; C344-R346 PolarHBondContact O-N 2.73Å; R346-K349 PolarHBondContact O-N 2.97Å; R346-E350 PolarHBondContact O-N 2.93Å |
| 347 | R | 94.2 | Very high | 85.8 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 35% | 0.347 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 172.2 | -68.5 | -166.8 | -21.7 | -89.6 | -2.2 | 112.2 | F314 P318 F343 K349 E350 K351 | F314-R347 HydrophobicContact CE2-CG 3.64Å; F314-R347 HydrophobicContact CZ-CG 4.05Å; P318-R347 VanDerWaalsContact O-CD 3.3Å; P318-R347 WeakPolarHBondContact O-CD 3.43Å; F343-R347 WeakPolarHBondContact O-CG 3.28Å; F343-R347 PolarHBondContact O-N 3.39Å; R347-K349 VanDerWaalsContact C-N 3.31Å; R347-K349 PolarHBondContact O-N 3.41Å; R347-E350 PolarHBondContact O-N 3.08Å; R347-K351 PolarHBondContact O-N 2.82Å |
| 348 | Q | 90.3 | Very high | 83.5 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 176 | -73.5 | 178.2 | 24.1 | 0 | 0 | 111.4 | C344 N345 K351 R352 | C344-Q348 VanDerWaalsContact O-CG 3.31Å; C344-Q348 WeakPolarHBondContact O-CG 3.43Å; C344-Q348 PolarHBondContact O-N 3.08Å; C344-Q348 VanDerWaalsContact O-N 3.13Å; N345-Q348 PolarHBondContact O-N 3.41Å; Q348-K351 PolarHBondContact O-N 3.03Å; Q348-R352 WeakPolarHBondContact O-CG 3.46Å; Q348-R352 PolarHBondContact O-N 3.09Å; Q348-R352 VanDerWaalsContact O-N 3.15Å |
| 349 | K | 90.5 | Very high | 80.9 | Confident | 121 Ų | 121 | 87 Ų | 87 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.8 | -173.3 | -177.4 | 177.3 | -172.3 | 0 | 111.2 | N345 R346 R347 K351 R352 M353 | N345-K349 PolarHBondContact O-N 2.92Å; R346-K349 PolarHBondContact O-N 2.97Å; R347-K349 VanDerWaalsContact C-N 3.31Å; R347-K349 PolarHBondContact O-N 3.41Å; K349-K351 PolarHBondContact O-N 2.92Å; K349-R352 PolarHBondContact O-N 2.98Å; K349-R352 VanDerWaalsContact O-N 3.11Å; K349-M353 HydrophobicContact CG-CG 4.2Å; K349-M353 WeakPolarHBondContact O-CG 2.87Å; K349-M353 PolarHBondContact O-N 2.93Å; K349-M353 VanDerWaalsContact O-N 3.08Å |
| 350 | E | 90.8 | Very high | 78.2 | Confident | 78 Ų | 78 | 94.9 Ų | 94.9 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.6 | -49.8 | 176.8 | -177.2 | 171.8 | -112.8 | 0 | 0 | 111.8 | R346 R347 R352 M353 T354 | R346-E350 PolarHBondContact O-N 2.93Å; R347-E350 PolarHBondContact O-N 3.08Å; E350-R352 PolarHBondContact O-N 3.49Å; E350-R352 VanDerWaalsContact O-N 3.16Å; E350-M353 PolarHBondContact O-N 3.01Å; E350-T354 PolarHBondContact O-N 2.87Å; E350-T354 PolarHBondContact O-OG1 3.47Å |
| 351 | K | 87.2 | Confident | 75.8 | Confident | 186 Ų | 186 | 96.5 Ų | 96.5 | 81% | 0.809 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.2 | -26.3 | 177.3 | -172.2 | 174.4 | 178 | -179.8 | 0 | 113.8 | R347 Q348 K349 | R347-K351 PolarHBondContact O-N 2.82Å; Q348-K351 PolarHBondContact O-N 3.03Å; K349-K351 PolarHBondContact O-N 2.92Å |
| 352 | R | 84 | Confident | 73.4 | Confident | 185 Ų | 185 | 97.1 Ų | 97.1 | 70% | 0.698 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -83.5 | -21.1 | 176.2 | -71.8 | 178.2 | -167.6 | 163.2 | 8.5 | 113.4 | Q348 K349 E350 | Q348-R352 WeakPolarHBondContact O-CG 3.46Å; Q348-R352 PolarHBondContact O-N 3.09Å; Q348-R352 VanDerWaalsContact O-N 3.15Å; K349-R352 PolarHBondContact O-N 2.98Å; K349-R352 VanDerWaalsContact O-N 3.11Å; E350-R352 PolarHBondContact O-N 3.49Å; E350-R352 VanDerWaalsContact O-N 3.16Å |
| 353 | M | 74.3 | Confident | 70.7 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -99.8 | -19 | -175.1 | -61.3 | -78.5 | 77.5 | 0 | 0 | 113 | K349 E350 P355 | K349-M353 HydrophobicContact CG-CG 4.2Å; K349-M353 WeakPolarHBondContact O-CG 2.87Å; K349-M353 PolarHBondContact O-N 2.93Å; K349-M353 VanDerWaalsContact O-N 3.08Å; E350-M353 PolarHBondContact O-N 3.01Å; M353-P355 WeakPolarHBondContact O-CD 3.42Å |
| 354 | T | 69.4 | Low | 68.4 | Low | 96 Ų | 96 | 108.9 Ų | 108.9 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -94.7 | 106.6 | 172.1 | -47 | 0 | 0 | 0 | 0 | 109.3 | E350 | E350-T354 PolarHBondContact O-N 2.87Å; E350-T354 PolarHBondContact O-OG1 3.47Å |
| 355 | P | 57.3 | Low | 66 | Low | 97 Ų | 97 | 115.2 Ų | 115.2 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | trans | -64.1 | 144 | 173.5 | -9.1 | 23.1 | 0 | 0 | 0 | 110 | M353 G357 | M353-P355 WeakPolarHBondContact O-CD 3.42Å; P355-G357 VanDerWaalsContact C-N 3.29Å; P355-G357 PolarHBondContact O-N 3.44Å | ||
| 356 | P | 56.5 | Low | 63.9 | Low | 142 Ų | 142 | 117.3 Ų | 117.3 | 92% | 0.922 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -75 | 84.9 | 167 | 30.5 | -29.3 | 0 | 0 | 0 | 108.3 | ||
| 357 | G | 53.7 | Low | 61.6 | Low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | trans | 157.4 | 68.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P355 | P355-G357 VanDerWaalsContact C-N 3.29Å; P355-G357 PolarHBondContact O-N 3.44Å | ||
| 358 | G | 45.4 | Very low | 59.3 | Low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | trans | -140.2 | 49.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | L360 | G358-L360 PolarHBondContact O-N 3.34Š| ||
| 359 | A | 39.9 | Very low | 57 | Low | 100 Ų | 100 | 125 Ų | 125 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | trans | -71.4 | 110.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 360 | L | 41 | Very low | 54.9 | Low | 164 Ų | 164 | 125.9 Ų | 125.9 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | -60.3 | 125.1 | 170 | -68.1 | 161.7 | 0 | 0 | 0 | 108.5 | G358 G362 | G358-L360 PolarHBondContact O-N 3.34Å; L360-G362 PolarHBondContact O-N 2.9Å | ||
| 361 | P | 45.8 | Very low | 52.9 | Low | 135 Ų | 135 | 127 Ų | 127 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -85.1 | 96.9 | 166.5 | 32.3 | -24.4 | 0 | 0 | 0 | 106.8 | ||
| 362 | G | 44.2 | Very low | 51.4 | Low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 166.1 | 57.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L360 | L360-G362 PolarHBondContact O-N 2.9Š| ||
| 363 | S | 40.9 | Very low | 49.3 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -149.6 | 82.2 | 149.6 | 60.6 | 0 | 0 | 0 | 0 | 107.4 | D365 | S363-D365 PolarHBondContact O-N 3.42Š| ||
| 364 | E | 46.5 | Very low | 48 | Very low | 179 Ų | 179 | 123.5 Ų | 123.5 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | 7.8 | 94.4 | 138.7 | -55.5 | 171.9 | 112.7 | 0 | 0 | 115.3 | ||||
| 365 | D | 43.9 | Very low | 46.8 | Very low | 166 Ų | 166 | 122.5 Ų | 122.5 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -107.1 | 79.9 | 149.1 | -85.7 | -46.9 | 0 | 0 | 0 | 107.7 | S363 Y367 | S363-D365 PolarHBondContact O-N 3.42Å; D365-Y367 VanDerWaalsContact C-N 3.33Å; D365-Y367 PolarHBondContact O-N 3.12Å | ||
| 366 | V | 51.5 | Low | 46.3 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -68.9 | 93.8 | 156.3 | 174.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 367 | Y | 46.1 | Very low | 45.8 | Very low | 203 Ų | 203 | 126.3 Ų | 126.3 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -159.2 | 89 | 149.5 | -132 | -90.9 | 0 | 0 | 0 | 109.3 | D365 D369 | D365-Y367 VanDerWaalsContact C-N 3.33Å; D365-Y367 PolarHBondContact O-N 3.12Å; Y367-D369 HydrophobicContact CD1-CB 4.29Å; Y367-D369 HydrophobicContact CE1-CB 4.28Å | ||
| 368 | G | 45.7 | Very low | 45.7 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -72.7 | 119.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 369 | D | 41.5 | Very low | 46.5 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | trans | -160.9 | 97.9 | 147.9 | -153.2 | 14.2 | 0 | 0 | 0 | 109.5 | Y367 | Y367-D369 HydrophobicContact CD1-CB 4.29Å; Y367-D369 HydrophobicContact CE1-CB 4.28Å | ||
| 370 | T | 47.5 | Very low | 46.9 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -99.1 | 127.1 | 160.3 | 3.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 371 | P | 48 | Very low | 47.4 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | trans | -126.1 | 156.5 | 143.2 | 31.4 | -18.1 | 0 | 0 | 0 | 113.3 | ||||
| 372 | P | 56.2 | Low | 47.5 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -100.3 | 145.8 | -162.7 | 37 | -28.5 | 0 | 0 | 0 | 111.7 | ||||
| 373 | H | 39.6 | Very low | 47.6 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | trans | -164.1 | 129.2 | 153.9 | -132.6 | -117 | 0 | 0 | 0 | 116.5 | ||||
| 374 | H | 46.5 | Very low | 48 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 70% | 0.704 | 81% | 0.813 | S | S | * | * | trans | 56.6 | 113 | 150.7 | -77.6 | -25.4 | 0 | 0 | 0 | 122.7 | ||||
| 375 | G | 45.4 | Very low | 48.1 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -71.6 | 145 | 145.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 376 | V | 45.9 | Very low | 48.4 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -142.1 | 124 | 155.1 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 377 | Q | 46.9 | Very low | 48.2 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -67.9 | 139.8 | 171.7 | -67 | 164.5 | 40.6 | 0 | 0 | 109.9 | ||||
| 378 | T | 51.3 | Low | 48.3 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -109.3 | 128.3 | 164.4 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 379 | P | 61.2 | Low | 48.5 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -84 | 141.5 | 172 | 32.5 | -28.9 | 0 | 0 | 0 | 110.8 | ||||
| 380 | V | 50 | Low | 49.1 | Very low | 146 Ų | 146 | 144 Ų | 144 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -72.3 | 138.4 | 166.9 | 170.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 381 | Q | 50.3 | Low | 49.2 | Very low | 260 Ų | 260 | 144.3 Ų | 144.3 | 100% | 1.215 | 82% | 0.82 | S | S | * | * | trans | -113.5 | 0 | 160.2 | -152.2 | 179.5 | 47.8 | 0 | 0 | 108.7 |
Retrieved 381 of 381 residues in 508.7 ms
(Link to these results)