| 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 | 36.4 | Very low | 41.6 | Very low | 249 Ų | 249 | 131.6 Ų | 131.6 | 100% | 1.227 | 77% | 0.773 | S | S | * | * | 0 | 137.5 | 0 | -58.4 | 172.8 | -177 | 0 | 0 | 106.6 | |||||
| 2 | A | 35.6 | Very low | 41.6 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | cis | -143.5 | 158 | -10.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | A | 40.7 | Very low | 41.5 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | 44.2 | 137 | 91.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 4 | A | 46.1 | Very low | 41 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | cis | -170.1 | -155.7 | -10.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 5 | A | 48 | Very low | 41.2 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 73.3 | 151.1 | 164 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 6 | Y | 43.2 | Very low | 41.1 | Very low | 206 Ų | 206 | 132.1 Ų | 132.1 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | cis | -157.6 | 169.5 | -24.8 | -174.2 | -103.8 | 0 | 0 | 0 | 109.4 | ||||
| 7 | V | 47.8 | Very low | 40.6 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 58% | 0.576 | 78% | 0.782 | S | S | * | * | trans | -62.4 | 173.4 | 173.4 | -130.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 8 | D | 45.6 | Very low | 40.6 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -173.2 | -170.2 | 27.6 | -137.6 | -22 | 0 | 0 | 0 | 108 | ||||
| 9 | H | 43.6 | Very low | 40.4 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 61% | 0.611 | 78% | 0.777 | S | S | * | * | cis | -163 | 160.5 | -1.4 | -163.3 | -149 | 0 | 0 | 0 | 109.1 | ||||
| 10 | F | 34 | Very low | 40.4 | Very low | 177 Ų | 177 | 130 Ų | 130 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 62.1 | 164.3 | 158.7 | -91.3 | -147.6 | 0 | 0 | 0 | 119.3 | ||||
| 11 | A | 36.8 | Very low | 40.6 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | cis | -168.1 | 156.5 | -30.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | A | 41.9 | Very low | 40.6 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -160.8 | 138.8 | 159 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | E | 40.2 | Very low | 40.9 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -101.1 | 161.6 | -179.7 | -59.1 | -179.4 | 107.5 | 0 | 0 | 112.4 | ||||
| 14 | C | 34.1 | Very low | 40.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 91% | 0.912 | 76% | 0.763 | S | S | * | * | trans | -145.7 | 132.6 | 146 | -94.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | L | 44.4 | Very low | 40.3 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | trans | -114.6 | 178.7 | -169.8 | -74.2 | 166.7 | 0 | 0 | 0 | 112.1 | ||||
| 16 | V | 39.9 | Very low | 39.8 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 76.9 | 107.8 | 161 | -165.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 17 | S | 32.4 | Very low | 39.9 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | 172 | 95.2 | 106.8 | -159.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 18 | M | 40.3 | Very low | 39.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | 74.6 | 111.5 | 86.9 | -72.2 | -92.6 | 75.9 | 0 | 0 | 115.8 | |||||
| 19 | S | 36 | Very low | 39.2 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 68.8 | 153.7 | 150.9 | -58.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 20 | S | 41.8 | Very low | 38.9 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | cis | -129.7 | 154.1 | 13.6 | -66.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 21 | R | 43.8 | Very low | 40 | Very low | 239 Ų | 239 | 133.3 Ų | 133.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -88.3 | 149.3 | 165.2 | -74.1 | 174.2 | 169.6 | 159 | -5.2 | 110.7 | V23 | R21-V23 HydrophobicContact CB-CG2 4.39Š| ||
| 22 | A | 36.8 | Very low | 39.8 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -139.2 | 137.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 23 | V | 42.3 | Very low | 39.5 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | -149.4 | 150.9 | -166.2 | -175 | 0 | 0 | 0 | 0 | 108.9 | R21 | R21-V23 HydrophobicContact CB-CG2 4.39Š| ||
| 24 | V | 36.9 | Very low | 39.6 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | trans | 59.2 | 154 | -176.8 | -111.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 25 | H | 36.6 | Very low | 40.2 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | cis | -129.5 | 164.9 | 3.5 | -66.2 | -99.1 | 0 | 0 | 0 | 112 | ||||
| 26 | G | 36.8 | Very low | 39.9 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -118 | 170.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 27 | P | 45.4 | Very low | 39.6 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -125.6 | 172.4 | 147.5 | 35.4 | -24.6 | 0 | 0 | 0 | 112.5 | ||||
| 28 | R | 41.5 | Very low | 39.6 | Very low | 229 Ų | 229 | 137.3 Ų | 137.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -109 | 129.9 | 175.4 | -64 | 159.1 | 66 | -179.9 | 3 | 108.6 | ||||
| 29 | E | 37.5 | Very low | 39.4 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -143.3 | 158.4 | 152.7 | -59.8 | -57.7 | 163.7 | 0 | 0 | 104.8 | ||||
| 30 | G | 37.3 | Very low | 39.9 | Very low | 61 Ų | 61 | 137.1 Ų | 137.1 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | cis | 157.5 | 120.3 | 7.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 31 | P | 57 | Low | 39.6 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -102.2 | 108.7 | -161.4 | 35.5 | -32.3 | 0 | 0 | 0 | 115.1 | ||||
| 32 | E | 33.8 | Very low | 39.2 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -159.2 | 161.2 | 168.9 | -99.1 | -172.8 | 105.1 | 0 | 0 | 109.2 | ||||
| 33 | S | 33.9 | Very low | 39.4 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | -154.7 | 174 | -10.8 | 54.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 34 | R | 42.6 | Very low | 39.3 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -99.1 | 129.9 | 177.6 | 159.4 | -176.5 | 169.3 | 157.7 | -6.3 | 110.6 | E36 | R34-E36 HydrophobicContact CG-CG 4.43Å; R34-E36 IonicContact CZ-OE1 3.71Å; R34-E36 IonicContact NE-OE1 3.4Å; R34-E36 PolarHBondContact NE-OE1 3.11Å; R34-E36 IonicContact NH2-OE1 3.71Å; R34-E36 PolarHBondContact NH2-OE1 3.22Å | ||
| 35 | P | 47.7 | Very low | 39.4 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -93 | 155 | 152.6 | 34.3 | -29.8 | 0 | 0 | 0 | 111.2 | ||||
| 36 | E | 37.1 | Very low | 39.6 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | trans | -110.5 | 158.6 | -178.7 | -54.5 | -156 | 97.4 | 0 | 0 | 113.1 | R34 | R34-E36 HydrophobicContact CG-CG 4.43Å; R34-E36 IonicContact CZ-OE1 3.71Å; R34-E36 IonicContact NE-OE1 3.4Å; R34-E36 PolarHBondContact NE-OE1 3.11Å; R34-E36 IonicContact NH2-OE1 3.71Å; R34-E36 PolarHBondContact NH2-OE1 3.22Å | ||
| 37 | G | 34.4 | Very low | 39.4 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 82.9 | 112.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 38 | A | 32.8 | Very low | 39 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -158.3 | 151.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 39 | A | 36.3 | Very low | 38.6 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 51.9 | 92.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | A41 | A39-A41 PolarHBondContact O-N 3.39Š| ||
| 40 | V | 45 | Very low | 38.6 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 95% | 0.952 | 78% | 0.779 | S | S | * | * | trans | -55.4 | 127.2 | 145.5 | -79.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 41 | A | 36.2 | Very low | 38.5 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -115.3 | 126.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | A39 | A39-A41 PolarHBondContact O-N 3.39Š| ||
| 42 | A | 35.7 | Very low | 37.5 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 141.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P44 | A42-P44 WeakPolarHBondContact O-CD 3.49Š| ||
| 43 | T | 39.7 | Very low | 38.1 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -62.9 | 122.1 | 171.6 | 42.8 | 0 | 0 | 0 | 0 | 110.8 | T45 | T43-T45 PolarHBondContact O-N 3.49Š| ||
| 44 | P | 41.6 | Very low | 38.3 | Very low | 111 Ų | 111 | 142 Ų | 142 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 100.9 | 171.2 | 29.2 | -32.5 | 0 | 0 | 0 | 109.5 | A42 L46 | A42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-L46 PolarHBondContact O-N 2.98Å | ||
| 45 | T | 39.2 | Very low | 38.4 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -62.8 | 100.9 | 174.2 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | T43 | T43-T45 PolarHBondContact O-N 3.49Š| ||
| 46 | L | 39.4 | Very low | 38.2 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 140.8 | 176.6 | -68.9 | 175.7 | 0 | 0 | 0 | 110.6 | P44 R48 | P44-L46 PolarHBondContact O-N 2.98Å; L46-R48 PolarHBondContact O-N 3.2Å | ||
| 47 | P | 33.6 | Very low | 38.6 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -64.4 | 134.1 | -179.4 | 26.2 | -34.1 | 0 | 0 | 0 | 111.1 | V49 | P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.38Å | ||
| 48 | R | 37.1 | Very low | 39.3 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -68.8 | 85.9 | 176.4 | 179.2 | -177 | 163.3 | 136.8 | -6.9 | 110.3 | L46 E50 | L46-R48 PolarHBondContact O-N 3.2Å; R48-E50 HydrophobicContact CG-CG 4.39Å; R48-E50 IonicContact CZ-OE1 3.16Å; R48-E50 IonicContact NE-OE1 3.4Å; R48-E50 PolarHBondContact NE-OE1 3.32Å; R48-E50 VanDerWaalsContact NE-OE1 3.16Å; R48-E50 IonicContact NH2-OE1 2.64Å; R48-E50 PolarHBondContact NH2-OE1 3.5Å; R48-E50 PolarHBondContact O-N 3.42Å | ||
| 49 | V | 33.4 | Very low | 40.2 | Very low | 129 Ų | 129 | 137 Ų | 137 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | -67.6 | 116.8 | 162.4 | -79.8 | 0 | 0 | 0 | 0 | 108.9 | P47 E51 | P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.38Å; V49-E51 PolarHBondContact O-N 3.17Å | ||
| 50 | E | 37.6 | Very low | 40.9 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | -79.1 | 105 | 177.6 | -59.9 | -151.8 | 118.2 | 0 | 0 | 110 | R48 R52 | R48-E50 HydrophobicContact CG-CG 4.39Å; R48-E50 IonicContact CZ-OE1 3.16Å; R48-E50 IonicContact NE-OE1 3.4Å; R48-E50 PolarHBondContact NE-OE1 3.32Å; R48-E50 VanDerWaalsContact NE-OE1 3.16Å; R48-E50 IonicContact NH2-OE1 2.64Å; R48-E50 PolarHBondContact NH2-OE1 3.5Å; R48-E50 PolarHBondContact O-N 3.42Å; E50-R52 PolarHBondContact O-N 3.01Å | ||
| 51 | E | 34.4 | Very low | 41.3 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | trans | -59.2 | 106.2 | 168.2 | -83.1 | -171.4 | 83.8 | 0 | 0 | 110 | V49 R53 | V49-E51 PolarHBondContact O-N 3.17Å; E51-R53 PolarHBondContact O-N 3.31Å | ||
| 52 | R | 36 | Very low | 42.3 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -62.9 | 105.1 | 161.1 | -74.1 | -174.1 | 174.9 | -89.6 | -4.2 | 108.1 | E50 D54 | E50-R52 PolarHBondContact O-N 3.01Å; R52-D54 PolarHBondContact O-N 2.99Å | ||
| 53 | R | 46.2 | Very low | 43.4 | Very low | 230 Ų | 230 | 131.5 Ų | 131.5 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | trans | -77.2 | 67.7 | 178.5 | -70.8 | -178.8 | 174.7 | 169.5 | -0.9 | 111.4 | E51 | E51-R53 PolarHBondContact O-N 3.31Š| ||
| 54 | D | 37.4 | Very low | 44.2 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 138 | 162.1 | -71.4 | -67.6 | 0 | 0 | 0 | 109.6 | R52 | R52-D54 PolarHBondContact O-N 2.99Š| ||
| 55 | G | 45.3 | Very low | 45.2 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | trans | -91.3 | 157.2 | -148.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 56 | K | 42.8 | Very low | 46.2 | Very low | 194 Ų | 194 | 124.7 Ų | 124.7 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 72.5 | 160.2 | 173.3 | -104 | 114.2 | 176.9 | -177.7 | 0 | 116.8 | S58 | K56-S58 PolarHBondContact O-N 3.44Š|
| 57 | D | 46.4 | Very low | 47.2 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | trans | 70.7 | -13.8 | 175 | -64.1 | 5.6 | 0 | 0 | 0 | 120.7 | A59 S60 L61 | D57-A59 VanDerWaalsContact C-N 3.33Å; D57-A59 PolarHBondContact O-N 3.36Å; D57-S60 PolarHBondContact O-N 3.2Å; D57-L61 PolarHBondContact O-N 3.26Å; D57-L61 VanDerWaalsContact O-N 3.08Å | ||
| 58 | S | 49.6 | Very low | 48.4 | Very low | 96 Ų | 96 | 116.9 Ų | 116.9 | 67% | 0.671 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -53.1 | -41.4 | -179.8 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | K56 S60 L61 F62 | K56-S58 PolarHBondContact O-N 3.44Å; S58-S60 PolarHBondContact O-N 3.28Å; S58-L61 PolarHBondContact O-N 2.81Å; S58-F62 WeakPolarHBondContact O-CB 3.47Å; S58-F62 PolarHBondContact O-N 3.07Å |
| 59 | A | 50.8 | Low | 49.6 | Very low | 68 Ų | 68 | 109.2 Ų | 109.2 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66 | -37.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D57 F62 V63 | D57-A59 VanDerWaalsContact C-N 3.33Å; D57-A59 PolarHBondContact O-N 3.36Å; A59-F62 PolarHBondContact O-N 3.47Å; A59-V63 PolarHBondContact O-N 3Å; A59-V63 VanDerWaalsContact O-N 3.14Å |
| 60 | S | 51.4 | Low | 50.6 | Low | 37 Ų | 37 | 106.1 Ų | 106.1 | 26% | 0.259 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | D57 S58 F62 V63 V64 A248 | D57-S60 PolarHBondContact O-N 3.2Å; S58-S60 PolarHBondContact O-N 3.28Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 3.14Å; S60-V63 PolarHBondContact O-N 3.29Å; S60-V64 WeakPolarHBondContact O-CB 3.22Å; S60-V64 WeakPolarHBondContact O-CG2 3.46Å; S60-V64 PolarHBondContact O-N 3.26Å; S60-A248 WeakPolarHBondContact OG-CB 3.49Å |
| 61 | L | 53.1 | Low | 51.5 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -39.7 | 173.3 | -67.4 | 176.2 | 0 | 0 | 0 | 112.1 | D57 S58 V64 A65 | D57-L61 PolarHBondContact O-N 3.26Å; D57-L61 VanDerWaalsContact O-N 3.08Å; S58-L61 PolarHBondContact O-N 2.81Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-A65 WeakPolarHBondContact O-CB 3.4Å; L61-A65 PolarHBondContact O-N 3.28Å |
| 62 | F | 56.6 | Low | 52.4 | Low | 125 Ų | 125 | 98.5 Ų | 98.5 | 55% | 0.548 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 178.7 | -167.6 | -101.6 | 0 | 0 | 0 | 112.7 | S58 A59 S60 A65 R66 | S58-F62 WeakPolarHBondContact O-CB 3.47Å; S58-F62 PolarHBondContact O-N 3.07Å; A59-F62 PolarHBondContact O-N 3.47Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 3.14Å; F62-A65 PolarHBondContact O-N 2.97Å; F62-R66 HydrophobicContact CD1-CG 4.48Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.5Å; F62-R66 PolarHBondContact O-N 2.86Å |
| 63 | V | 58.9 | Low | 53.3 | Low | 49 Ų | 49 | 94.5 Ų | 94.5 | 30% | 0.297 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | A59 S60 R66 I67 I229 | A59-V63 PolarHBondContact O-N 3Å; A59-V63 VanDerWaalsContact O-N 3.14Å; S60-V63 PolarHBondContact O-N 3.29Å; V63-R66 PolarHBondContact O-N 3.49Å; V63-I67 HydrophobicContact CG1-CD1 3.92Å; V63-I67 WeakPolarHBondContact O-CG1 3.43Å; V63-I67 PolarHBondContact O-N 3.04Å; V63-I229 HydrophobicContact CG1-CD1 4.31Å |
| 64 | V | 57.5 | Low | 53.6 | Low | 18 Ų | 18 | 87.5 Ų | 87.5 | 11% | 0.109 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | S60 L61 I67 L68 T241 R245 | S60-V64 WeakPolarHBondContact O-CB 3.22Å; S60-V64 WeakPolarHBondContact O-CG2 3.46Å; S60-V64 PolarHBondContact O-N 3.26Å; L61-V64 PolarHBondContact O-N 3.49Å; V64-I67 PolarHBondContact O-N 2.86Å; V64-L68 HydrophobicContact CG1-CD1 3.83Å; V64-L68 HydrophobicContact CG1-CG 4.29Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 VanDerWaalsContact O-CG 3.24Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 3.38Å; V64-T241 HydrophobicContact CG1-CG2 4.45Å; V64-R245 HydrophobicContact CG2-CG 4.09Å |
| 65 | A | 62.3 | Low | 54 | Low | 52 Ų | 52 | 84 Ų | 84 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L61 F62 L68 A69 | L61-A65 WeakPolarHBondContact O-CB 3.4Å; L61-A65 PolarHBondContact O-N 3.28Å; F62-A65 PolarHBondContact O-N 2.97Å; A65-L68 PolarHBondContact O-N 2.79Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.46Å |
| 66 | R | 61.1 | Low | 53.8 | Low | 153 Ų | 153 | 86.3 Ų | 86.3 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 174.3 | -64.7 | -155.7 | 75.8 | 127.1 | 5.6 | 111.6 | F62 V63 L68 A69 D70 | F62-R66 HydrophobicContact CD1-CG 4.48Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.5Å; F62-R66 PolarHBondContact O-N 2.86Å; V63-R66 PolarHBondContact O-N 3.49Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.03Å; R66-A69 WeakPolarHBondContact O-CB 3.5Å; R66-A69 PolarHBondContact O-N 3.04Å; R66-D70 PolarHBondContact O-N 3.45Å |
| 67 | I | 59.2 | Low | 53.7 | Low | 10 Ų | 10 | 81 Ų | 81 | 5% | 0.051 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 177.1 | -69 | 171.6 | 0 | 0 | 0 | 111.9 | V63 V64 L71 P228 L240 A244 | V63-I67 HydrophobicContact CG1-CD1 3.92Å; V63-I67 WeakPolarHBondContact O-CG1 3.43Å; V63-I67 PolarHBondContact O-N 3.04Å; V64-I67 PolarHBondContact O-N 2.86Å; I67-L71 HydrophobicContact CG2-CD1 4.2Å; I67-L71 VanDerWaalsContact O-CB 3.26Å; I67-L71 WeakPolarHBondContact O-CB 3.32Å; I67-L71 WeakPolarHBondContact O-CD1 3.2Å; I67-L71 WeakPolarHBondContact O-CG 3.48Å; I67-L71 PolarHBondContact O-N 3.47Å; I67-P228 HydrophobicContact CD1-CG 4.05Å; I67-P228 HydrophobicContact CG1-CG 3.97Å; I67-L240 HydrophobicContact CG2-CD2 4.37Å; I67-L240 HydrophobicContact CG2-CG 4.39Å; I67-A244 HydrophobicContact CD1-CB 3.62Å; I67-A244 HydrophobicContact CG2-CB 4.44Å |
| 68 | L | 60 | Low | 53.2 | Low | 87 Ų | 87 | 81.4 Ų | 81.4 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 172.6 | -72 | 171 | 0 | 0 | 0 | 112.7 | V64 A65 R66 L71 N72 T241 | V64-L68 HydrophobicContact CG1-CD1 3.83Å; V64-L68 HydrophobicContact CG1-CG 4.29Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 VanDerWaalsContact O-CG 3.24Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 3.38Å; A65-L68 PolarHBondContact O-N 2.79Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.03Å; L68-L71 HydrophobicContact CD2-CD1 4.32Å; L68-N72 PolarHBondContact O-N 2.81Å; L68-N72 VanDerWaalsContact O-N 3.07Å; L68-T241 HydrophobicContact CD2-CG2 4.43Å |
| 69 | A | 62 | Low | 52.6 | Low | 51 Ų | 51 | 81.2 Ų | 81.2 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.7 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A65 R66 N72 Q73 | A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.46Å; R66-A69 WeakPolarHBondContact O-CB 3.5Å; R66-A69 PolarHBondContact O-N 3.04Å; A69-N72 WeakPolarHBondContact O-CB 3.38Å; A69-N72 PolarHBondContact O-N 3.17Å; A69-Q73 WeakPolarHBondContact O-CG 3.44Å; A69-Q73 PolarHBondContact O-N 2.85Å; A69-Q73 PolarHBondContact O-NE2 3.21Å |
| 70 | D | 54.7 | Low | 51.9 | Low | 65 Ų | 65 | 82.8 Ų | 82.8 | 35% | 0.348 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.3 | -37.1 | 174.2 | -65.2 | -38.2 | 0 | 0 | 0 | 111.5 | R66 N72 Q73 Q74 | R66-D70 PolarHBondContact O-N 3.45Å; D70-N72 VanDerWaalsContact C-N 3.26Å; D70-N72 PolarHBondContact O-N 3.21Å; D70-Q73 PolarHBondContact O-N 2.8Å; D70-Q73 PolarHBondContact OD1-NE2 3.44Å; D70-Q74 VanDerWaalsContact O-CG 3.32Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 2.86Å; D70-Q74 VanDerWaalsContact O-N 3.15Å |
| 71 | L | 55.3 | Low | 51.6 | Low | 22 Ų | 22 | 86.1 Ų | 86.1 | 12% | 0.115 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 170.4 | -83.6 | 171.3 | 0 | 0 | 0 | 113.1 | I67 L68 Q74 F225 L240 | I67-L71 HydrophobicContact CG2-CD1 4.2Å; I67-L71 VanDerWaalsContact O-CB 3.26Å; I67-L71 WeakPolarHBondContact O-CB 3.32Å; I67-L71 WeakPolarHBondContact O-CD1 3.2Å; I67-L71 WeakPolarHBondContact O-CG 3.48Å; I67-L71 PolarHBondContact O-N 3.47Å; L68-L71 HydrophobicContact CD2-CD1 4.32Å; L71-Q74 PolarHBondContact O-N 2.87Å; L71-F225 HydrophobicContact CD2-CB 4.35Å; L71-F225 HydrophobicContact CD2-CD1 3.29Å; L71-F225 HydrophobicContact CD2-CE1 3.79Å; L71-F225 HydrophobicContact CD2-CG 4.05Å; L71-L240 HydrophobicContact CD1-CD2 4.42Å; L71-L240 HydrophobicContact CD2-CD2 4.06Å; L71-L240 HydrophobicContact CG-CD2 4.34Å |
| 72 | N | 54.5 | Low | 50.7 | Low | 131 Ų | 131 | 88.3 Ų | 88.3 | 70% | 0.701 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72 | -32.6 | 176 | -166.7 | 60 | 0 | 0 | 0 | 112.1 | L68 A69 D70 Q74 | L68-N72 PolarHBondContact O-N 2.81Å; L68-N72 VanDerWaalsContact O-N 3.07Å; A69-N72 WeakPolarHBondContact O-CB 3.38Å; A69-N72 PolarHBondContact O-N 3.17Å; D70-N72 VanDerWaalsContact C-N 3.26Å; D70-N72 PolarHBondContact O-N 3.21Å; N72-Q74 VanDerWaalsContact C-N 3.3Å |
| 73 | Q | 55 | Low | 50 | Low | 141 Ų | 141 | 92.3 Ų | 92.3 | 66% | 0.659 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76 | -16.1 | 174.4 | -67.2 | 166.3 | 83 | 0 | 0 | 113.2 | A69 D70 A75 | A69-Q73 WeakPolarHBondContact O-CG 3.44Å; A69-Q73 PolarHBondContact O-N 2.85Å; A69-Q73 PolarHBondContact O-NE2 3.21Å; D70-Q73 PolarHBondContact O-N 2.8Å; D70-Q73 PolarHBondContact OD1-NE2 3.44Å; Q73-A75 VanDerWaalsContact C-N 3.26Å; Q73-A75 PolarHBondContact O-N 3.23Å |
| 74 | Q | 52 | Low | 48.9 | Very low | 84 Ų | 84 | 101.5 Ų | 101.5 | 39% | 0.393 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.8 | 11.9 | 177 | -70.5 | 166.7 | 25.4 | 0 | 0 | 113.8 | D70 L71 N72 P76 | D70-Q74 VanDerWaalsContact O-CG 3.32Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 2.86Å; D70-Q74 VanDerWaalsContact O-N 3.15Å; L71-Q74 PolarHBondContact O-N 2.87Å; N72-Q74 VanDerWaalsContact C-N 3.3Å; Q74-P76 WeakPolarHBondContact O-CD 3.46Å |
| 75 | A | 44.7 | Very low | 48 | Very low | 72 Ų | 72 | 108 Ų | 108 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -72.2 | 116.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q73 A77 | Q73-A75 VanDerWaalsContact C-N 3.26Å; Q73-A75 PolarHBondContact O-N 3.23Å; A75-A77 PolarHBondContact O-N 3.21Å |
| 76 | P | 41.1 | Very low | 46.8 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 129.3 | 179 | 27.9 | -33.6 | 0 | 0 | 0 | 110 | Q74 | Q74-P76 WeakPolarHBondContact O-CD 3.46Š|
| 77 | A | 41.1 | Very low | 45.5 | Very low | 83 Ų | 83 | 107.1 Ų | 107.1 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 148.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A75 A79 | A75-A77 PolarHBondContact O-N 3.21Å; A77-A79 PolarHBondContact O-N 3.12Å |
| 78 | P | 35.8 | Very low | 44.4 | Very low | 127 Ų | 127 | 111.6 Ų | 111.6 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.9 | 169.6 | 26.8 | -33.3 | 0 | 0 | 0 | 108.7 | ||
| 79 | A | 37.6 | Very low | 43.2 | Very low | 92 Ų | 92 | 112.4 Ų | 112.4 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A77 | A77-A79 PolarHBondContact O-N 3.12Š|
| 80 | P | 36.4 | Very low | 42.3 | Very low | 101 Ų | 101 | 122 Ų | 122 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148.2 | 173.5 | 28.8 | -34.2 | 0 | 0 | 0 | 110.9 | E82 | P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 HydrophobicContact CG-CG 4.44Å; P80-E82 PolarHBondContact O-N 3.22Å |
| 81 | A | 44.1 | Very low | 41.7 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 88% | 0.884 | 74% | 0.739 | S | S | * | * | trans | -81.6 | 74.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R83 | A81-R83 PolarHBondContact O-N 2.99Š| ||
| 82 | E | 35.4 | Very low | 41.3 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | -64.1 | 109 | 179.8 | -71.9 | -84.3 | 85.5 | 0 | 0 | 112 | P80 R84 | P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 HydrophobicContact CG-CG 4.44Å; P80-E82 PolarHBondContact O-N 3.22Å; E82-R84 PolarHBondContact O-N 3.26Å | ||
| 83 | R | 41 | Very low | 41.1 | Very low | 209 Ų | 209 | 137.8 Ų | 137.8 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 119.6 | 171.2 | 174.3 | -170.9 | -102.6 | -116.8 | 4.3 | 109.2 | A81 E85 | A81-R83 PolarHBondContact O-N 2.99Å; R83-E85 HydrophobicContact CG-CG 4.49Å; R83-E85 IonicContact CZ-OE1 3.62Å; R83-E85 IonicContact NH1-OE1 2.71Å; R83-E85 PolarHBondContact NH1-OE1 2.86Å | ||
| 84 | R | 36.7 | Very low | 40.7 | Very low | 242 Ų | 242 | 137.4 Ų | 137.4 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 119.1 | 176 | -76 | -176.5 | 169.3 | -173.2 | -4.4 | 112.2 | E82 | E82-R84 PolarHBondContact O-N 3.26Š| ||
| 85 | E | 38.2 | Very low | 40.3 | Very low | 154 Ų | 154 | 139 Ų | 139 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -129.6 | 152 | 161.2 | -65.5 | -178.4 | -172.4 | 0 | 0 | 108.5 | R83 | R83-E85 HydrophobicContact CG-CG 4.49Å; R83-E85 IonicContact CZ-OE1 3.62Å; R83-E85 IonicContact NH1-OE1 2.71Å; R83-E85 PolarHBondContact NH1-OE1 2.86Å | ||
| 86 | G | 36.3 | Very low | 39.9 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 125.8 | 125 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 87 | A | 34.6 | Very low | 40 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -125.7 | 176.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 88 | A | 35.2 | Very low | 40 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | 68.3 | 100.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 89 | A | 36.3 | Very low | 40.4 | Very low | 105 Ų | 105 | 150 Ų | 150 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | -159.7 | 124.1 | 122.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 90 | R | 43.5 | Very low | 40.7 | Very low | 251 Ų | 251 | 151 Ų | 151 | 95% | 0.947 | 83% | 0.828 | S | S | * | * | trans | -92.1 | 120.1 | 179.9 | -80.7 | 177.7 | 161.9 | -131 | 2.4 | 111.8 | ||||
| 91 | K | 41.1 | Very low | 41 | Very low | 206 Ų | 206 | 151.6 Ų | 151.6 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -138.8 | 128.8 | 143.3 | -73.7 | -162.7 | 176.3 | -175.6 | 0 | 109.1 | R93 | K91-R93 PolarHBondContact O-N 3.42Š| ||
| 92 | A | 47.7 | Very low | 41.2 | Very low | 109 Ų | 109 | 152 Ų | 152 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -73.4 | 121.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 93 | R | 49.2 | Very low | 41.6 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -122 | 143.8 | 156.1 | -77 | -171.8 | 174.7 | -130.5 | -0.6 | 107.8 | K91 | K91-R93 PolarHBondContact O-N 3.42Š| ||
| 94 | T | 46.3 | Very low | 41.8 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -52.8 | 128.5 | 174.8 | -13.8 | 0 | 0 | 0 | 0 | 109.4 | C96 | T94-C96 PolarHBondContact O-N 3.35Š| ||
| 95 | P | 44.1 | Very low | 42.2 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | trans | -72.3 | 103.4 | -177.1 | 28 | -33.5 | 0 | 0 | 0 | 109.6 | R97 | P95-R97 PolarHBondContact O-N 3.19Å; P95-R97 VanDerWaalsContact O-N 3.07Å | ||
| 96 | C | 36.7 | Very low | 42.4 | Very low | 119 Ų | 119 | 136 Ų | 136 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -54 | 117 | 161.1 | -64.2 | 0 | 0 | 0 | 0 | 107.6 | T94 L98 | T94-C96 PolarHBondContact O-N 3.35Å; C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 2.86Å | ||
| 97 | R | 43 | Very low | 42.7 | Very low | 248 Ų | 248 | 137.8 Ų | 137.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 98.5 | 171.1 | -89.8 | -179.8 | 164.4 | -111.7 | 3.6 | 108.1 | P95 | P95-R97 PolarHBondContact O-N 3.19Å; P95-R97 VanDerWaalsContact O-N 3.07Å | ||
| 98 | L | 41 | Very low | 43 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 133.3 | 165.9 | -77.4 | 159 | 0 | 0 | 0 | 107.8 | C96 | C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 2.86Å |
| 99 | P | 43.2 | Very low | 43.3 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143.8 | 169.4 | 26.8 | -33.5 | 0 | 0 | 0 | 108.6 | ||
| 100 | P | 44.7 | Very low | 43.6 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.4 | 179.2 | 25.9 | -34.3 | 0 | 0 | 0 | 110.1 | ||
| 101 | P | 42.1 | Very low | 43.3 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.4 | 174.5 | 26.5 | -34.3 | 0 | 0 | 0 | 109.6 | S103 | P101-S103 PolarHBondContact O-N 2.92Š|
| 102 | P | 48.7 | Very low | 43.3 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59 | 133.5 | -179.5 | 25 | -34 | 0 | 0 | 0 | 109.9 | ||
| 103 | S | 44.4 | Very low | 43 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 143.1 | -177.1 | -25.5 | 0 | 0 | 0 | 0 | 111 | P101 | P101-S103 PolarHBondContact O-N 2.92Š|
| 104 | P | 46 | Very low | 42.5 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 144.3 | 171.3 | 25.9 | -34.1 | 0 | 0 | 0 | 109.6 | ||
| 105 | P | 44.2 | Very low | 42.3 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.4 | -178.7 | 24.9 | -34.2 | 0 | 0 | 0 | 109.7 | ||
| 106 | P | 42.6 | Very low | 41.9 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 142.2 | -176.9 | 23.8 | -33.8 | 0 | 0 | 0 | 110.2 | A108 | P106-A108 PolarHBondContact O-N 3.33Š|
| 107 | P | 42.2 | Very low | 42.2 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138 | 178.7 | 24.5 | -34 | 0 | 0 | 0 | 109.4 | ||
| 108 | A | 41.1 | Very low | 42 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 131.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P106 K110 | P106-A108 PolarHBondContact O-N 3.33Å; A108-K110 PolarHBondContact O-N 3.04Å |
| 109 | P | 41 | Very low | 42 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 120 | -171.1 | 21.4 | -32.8 | 0 | 0 | 0 | 109.3 | A111 | P109-A111 PolarHBondContact O-N 3.04Š|
| 110 | K | 42.8 | Very low | 41.6 | Very low | 202 Ų | 202 | 130.2 Ų | 130.2 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 128.3 | 174.4 | -68.8 | -172.4 | -179.2 | -178 | 0 | 107.2 | A108 R112 | A108-K110 PolarHBondContact O-N 3.04Å; K110-R112 PolarHBondContact O-N 2.9Å |
| 111 | A | 36.9 | Very low | 41.2 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -55.7 | 104.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P109 R113 | P109-A111 PolarHBondContact O-N 3.04Å; A111-R113 PolarHBondContact O-N 3.01Å | ||
| 112 | R | 41.2 | Very low | 40.9 | Very low | 235 Ų | 235 | 133.6 Ų | 133.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 129.9 | 162.2 | -77.6 | -176 | 171.9 | -96.1 | 1.1 | 105.4 | K110 A114 | K110-R112 PolarHBondContact O-N 2.9Å; R112-A114 PolarHBondContact O-N 3.21Å |
| 113 | R | 41.3 | Very low | 40.5 | Very low | 243 Ų | 243 | 133.8 Ų | 133.8 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 129 | 168.4 | -79.3 | -179.2 | 170.6 | -117.5 | 2.7 | 106.6 | A111 | A111-R113 PolarHBondContact O-N 3.01Š|
| 114 | A | 39.2 | Very low | 40.3 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 146.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | R112 | R112-A114 PolarHBondContact O-N 3.21Š|
| 115 | P | 41.4 | Very low | 40 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 145.3 | 160.2 | 27.6 | -34.2 | 0 | 0 | 0 | 107.9 | S117 | P115-S117 PolarHBondContact O-N 3.13Š|
| 116 | P | 37.4 | Very low | 39.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.9 | 173.4 | 24.7 | -33 | 0 | 0 | 0 | 108.3 | ||
| 117 | S | 41.3 | Very low | 39.9 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 146.9 | 170.1 | -60.2 | 0 | 0 | 0 | 0 | 108.8 | P115 A119 | P115-S117 PolarHBondContact O-N 3.13Å; S117-A119 PolarHBondContact O-N 2.81Å |
| 118 | P | 39.8 | Very low | 39.7 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 139.9 | 168.4 | 25.3 | -34.5 | 0 | 0 | 0 | 108.8 | W120 | P118-W120 PolarHBondContact O-N 2.89Å; P118-W120 VanDerWaalsContact O-N 3.11Å |
| 119 | A | 40.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 116.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S117 | S117-A119 PolarHBondContact O-N 2.81Š|
| 120 | W | 34.9 | Very low | 39.4 | Very low | 220 Ų | 220 | 146.6 Ų | 146.6 | 83% | 0.833 | 82% | 0.817 | S | S | * | * | trans | -89.3 | 112.3 | 166.4 | -73.2 | 74.5 | 0 | 0 | 0 | 106.6 | P118 E122 | P118-W120 PolarHBondContact O-N 2.89Å; P118-W120 VanDerWaalsContact O-N 3.11Å; W120-E122 PolarHBondContact O-N 2.82Å | ||
| 121 | S | 35.8 | Very low | 39.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 119.6 | 173.2 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 122 | E | 37.5 | Very low | 39.5 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 128 | 168.7 | -67.6 | -179.4 | 94.6 | 0 | 0 | 108.3 | W120 | W120-E122 PolarHBondContact O-N 2.82Š|
| 123 | P | 39.1 | Very low | 39.3 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134.8 | 165.1 | 30.3 | -31.9 | 0 | 0 | 0 | 108.5 | ||
| 124 | E | 41.2 | Very low | 39.3 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 139.8 | -176.7 | -60.6 | -159.4 | 115.5 | 0 | 0 | 111.8 | E126 | E124-E126 PolarHBondContact O-N 2.89Š|
| 125 | P | 40.1 | Very low | 39.3 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 121.4 | 173.4 | 30.7 | -32.1 | 0 | 0 | 0 | 110.2 | ||
| 126 | E | 38.9 | Very low | 39.3 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.7 | 175 | -66.5 | -164.7 | 114.1 | 0 | 0 | 112.2 | E124 G128 | E124-E126 PolarHBondContact O-N 2.89Å; E126-G128 PolarHBondContact O-N 3.33Å |
| 127 | A | 43.9 | Very low | 39.7 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -69.9 | 96.6 | -168 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 128 | G | 38.1 | Very low | 39.7 | Very low | 69 Ų | 69 | 144.7 Ų | 144.7 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -82.4 | 113.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E126 E130 | E126-G128 PolarHBondContact O-N 3.33Å; G128-E130 PolarHBondContact O-N 3.23Å | ||
| 129 | L | 36.9 | Very low | 39.7 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 120.5 | -179.4 | -67.8 | 154.9 | 0 | 0 | 0 | 113.1 | ||
| 130 | E | 39 | Very low | 39.8 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 131.5 | 166.1 | -68.9 | -140 | 113.5 | 0 | 0 | 110.7 | G128 | G128-E130 PolarHBondContact O-N 3.23Š|
| 131 | P | 41.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 117.1 | 164 | 31.4 | -29.6 | 0 | 0 | 0 | 109.7 | ||
| 132 | E | 41.5 | Very low | 40.7 | Very low | 196 Ų | 196 | 140.4 Ų | 140.4 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -57 | 147.2 | 179 | -62.8 | -170.8 | 96.1 | 0 | 0 | 112.3 | ||
| 133 | R | 36.7 | Very low | 41.3 | Very low | 239 Ų | 239 | 138 Ų | 138 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -128.9 | 99.7 | -179.7 | -160.3 | 175.7 | -160.6 | 154.9 | 8.9 | 112 | ||||
| 134 | E | 40.2 | Very low | 41.7 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -35 | 128.4 | 176 | -68.9 | -72 | 88.1 | 0 | 0 | 114.6 | G136 | E134-G136 PolarHBondContact O-N 3.25Š| ||
| 135 | P | 40.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | trans | -76.6 | 107.1 | 176.7 | 30.1 | -32.9 | 0 | 0 | 0 | 111.7 | ||||
| 136 | G | 42.2 | Very low | 42.7 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | trans | -63.8 | 160.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E134 | E134-G136 PolarHBondContact O-N 3.25Š| ||
| 137 | P | 44.1 | Very low | 43.4 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -69.5 | 150.4 | -163.2 | 26.8 | -36 | 0 | 0 | 0 | 115.2 | G139 | P137-G139 PolarHBondContact O-N 2.98Š| ||
| 138 | A | 42.6 | Very low | 43.6 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -72.5 | 87.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S140 | A138-S140 PolarHBondContact O-N 3.04Š| ||
| 139 | G | 38.6 | Very low | 44.4 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -69.3 | 116.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | P137 G141 | P137-G139 PolarHBondContact O-N 2.98Å; G139-G141 PolarHBondContact O-N 2.91Å; G139-G141 VanDerWaalsContact O-N 3.07Å | ||
| 140 | S | 42.9 | Very low | 45.2 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -72.1 | 94.8 | 175 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | A138 | A138-S140 PolarHBondContact O-N 3.04Š| ||
| 141 | G | 42 | Very low | 46.3 | Very low | 71 Ų | 71 | 152.3 Ų | 152.3 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -99 | 135.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G139 | G139-G141 PolarHBondContact O-N 2.91Å; G139-G141 VanDerWaalsContact O-N 3.07Å | ||
| 142 | E | 48 | Very low | 46.8 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -57.9 | 159.1 | 175.2 | -73.6 | -176.1 | 81.7 | 0 | 0 | 113.6 | G144 | E142-G144 PolarHBondContact O-N 3.38Š| ||
| 143 | P | 49.6 | Very low | 47.5 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -72.8 | 57.7 | 173.9 | 33.2 | -37.4 | 0 | 0 | 0 | 112.6 | L145 | P143-L145 PolarHBondContact O-N 2.78Š| ||
| 144 | G | 47.4 | Very low | 48.5 | Very low | 57 Ų | 57 | 141.6 Ų | 141.6 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | trans | -54.8 | 133 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E142 R146 | E142-G144 PolarHBondContact O-N 3.38Å; G144-R146 PolarHBondContact O-N 3.23Å; G144-R146 VanDerWaalsContact O-N 3.08Å | ||
| 145 | L | 53.7 | Low | 49.3 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -48.3 | 116.3 | -177.4 | -75.5 | 164.9 | 0 | 0 | 0 | 111.1 | P143 Q147 | P143-L145 PolarHBondContact O-N 2.78Å; L145-Q147 PolarHBondContact O-N 2.71Å | ||
| 146 | R | 48.4 | Very low | 50 | Low | 242 Ų | 242 | 141.8 Ų | 141.8 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -69.2 | 72.2 | 179.9 | -71.9 | -175.1 | 177 | -95.8 | 3.6 | 111.6 | G144 R148 | G144-R146 PolarHBondContact O-N 3.23Å; G144-R146 VanDerWaalsContact O-N 3.08Å; R146-R148 PolarHBondContact O-N 3.39Å; R146-R148 VanDerWaalsContact O-N 3.13Å | ||
| 147 | Q | 53.7 | Low | 50.5 | Low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -55.8 | 119.2 | 168.4 | -65.3 | -169.1 | 17.2 | 0 | 0 | 108.3 | L145 V149 | L145-Q147 PolarHBondContact O-N 2.71Å; Q147-V149 PolarHBondContact O-N 3.41Å | ||
| 148 | R | 47.4 | Very low | 51.1 | Low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 78.3 | 172.8 | -68.2 | -176.1 | -174.5 | -98.8 | 3.8 | 108.5 | R146 R150 | R146-R148 PolarHBondContact O-N 3.39Å; R146-R148 VanDerWaalsContact O-N 3.13Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.47Å | ||
| 149 | V | 56.3 | Low | 51.6 | Low | 115 Ų | 115 | 145.7 Ų | 145.7 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | trans | -54.1 | 103.5 | 166.5 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | Q147 R151 | Q147-V149 PolarHBondContact O-N 3.41Å; V149-R151 PolarHBondContact O-N 3.48Å | ||
| 150 | R | 53.9 | Low | 52.5 | Low | 238 Ų | 238 | 146.6 Ų | 146.6 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 92.8 | 169.9 | -70.5 | -173.6 | -179.4 | -165.8 | 2.2 | 105.6 | R148 G152 | R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.47Å; R150-G152 VanDerWaalsContact C-N 3.31Å; R150-G152 PolarHBondContact O-N 2.88Å | ||
| 151 | R | 60.6 | Low | 53.4 | Low | 235 Ų | 235 | 146.1 Ų | 146.1 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | trans | -53.3 | 102.7 | 167.3 | -73.8 | -171.6 | 176.6 | -136.5 | 0.7 | 106.5 | V149 R153 | V149-R151 PolarHBondContact O-N 3.48Å; R151-R153 PolarHBondContact O-N 3.13Å | ||
| 152 | G | 53.1 | Low | 54.7 | Low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 125.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | R150 S154 | R150-G152 VanDerWaalsContact C-N 3.31Å; R150-G152 PolarHBondContact O-N 2.88Å; G152-S154 PolarHBondContact O-N 2.93Å |
| 153 | R | 56.1 | Low | 55.8 | Low | 207 Ų | 207 | 151.4 Ų | 151.4 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 119.1 | 171.9 | -75.2 | 179.2 | 172.2 | -114.9 | -2.3 | 106.6 | R151 | R151-R153 PolarHBondContact O-N 3.13Š|
| 154 | S | 57.4 | Low | 57.4 | Low | 55 Ų | 55 | 153 Ų | 153 | 39% | 0.385 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 158 | 176.4 | 76.6 | 0 | 0 | 0 | 0 | 108.3 | G152 A156 D157 | G152-S154 PolarHBondContact O-N 2.93Å; S154-A156 PolarHBondContact O-N 3.49Å; S154-A156 PolarHBondContact OG-N 2.91Å; S154-D157 WeakPolarHBondContact CA-OD2 3.4Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.37Å; S154-D157 PolarHBondContact N-OD2 3.44Å; S154-D157 PolarHBondContact O-N 2.99Å; S154-D157 PolarHBondContact OG-N 3.34Å; S154-D157 PolarHBondContact OG-OD2 3.25Å |
| 155 | R | 56.4 | Low | 59.3 | Low | 226 Ų | 226 | 153.4 Ų | 153.4 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -64 | -23.8 | 177.3 | -154.4 | 170.1 | -177.7 | 169.4 | -1.8 | 111.7 | ||
| 156 | A | 55.6 | Low | 60.9 | Low | 73 Ų | 73 | 152 Ų | 152 | 60% | 0.603 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -74.8 | -29.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S154 L158 E159 | S154-A156 PolarHBondContact O-N 3.49Å; S154-A156 PolarHBondContact OG-N 2.91Å; A156-L158 PolarHBondContact O-N 2.91Å; A156-E159 PolarHBondContact O-N 3.49Å |
| 157 | D | 52.3 | Low | 62.9 | Low | 96 Ų | 96 | 141 Ų | 141 | 51% | 0.513 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -63.1 | -13.3 | 176.6 | -68.5 | -71.3 | 0 | 0 | 0 | 113.3 | S154 | S154-D157 WeakPolarHBondContact CA-OD2 3.4Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.37Å; S154-D157 PolarHBondContact N-OD2 3.44Å; S154-D157 PolarHBondContact O-N 2.99Å; S154-D157 PolarHBondContact OG-N 3.34Å; S154-D157 PolarHBondContact OG-OD2 3.25Å |
| 158 | L | 56.5 | Low | 64.5 | Low | 125 Ų | 125 | 141.1 Ų | 141.1 | 65% | 0.654 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -84.6 | -15.9 | -178.9 | -67.2 | 168.8 | 0 | 0 | 0 | 113.5 | A156 | A156-L158 PolarHBondContact O-N 2.91Š|
| 159 | E | 53 | Low | 66.3 | Low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -98.8 | 20.2 | 179.9 | -69 | -179.2 | 87.9 | 0 | 0 | 113 | A156 P161 | A156-E159 PolarHBondContact O-N 3.49Å; E159-P161 WeakPolarHBondContact O-CD 3.38Å |
| 160 | S | 58.1 | Low | 67.7 | Low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -55.2 | 121.1 | 165.3 | -169.5 | 0 | 0 | 0 | 0 | 110 | Q162 | S160-Q162 PolarHBondContact O-N 3.06Š|
| 161 | P | 63 | Low | 69.2 | Low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | trans | -60.4 | 114.3 | -172.9 | -26.8 | 35.2 | 0 | 0 | 0 | 111.9 | E159 R163 | E159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-R163 PolarHBondContact O-N 3.07Å | ||
| 162 | Q | 67.9 | Low | 70.3 | Confident | 142 Ų | 142 | 117.5 Ų | 117.5 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | trans | -62.4 | 102.8 | 177.5 | -67.7 | -171.8 | 12.8 | 0 | 0 | 109.5 | S160 K164 | S160-Q162 PolarHBondContact O-N 3.06Å; Q162-K164 PolarHBondContact O-N 3.36Å | ||
| 163 | R | 70.9 | Confident | 72 | Confident | 223 Ų | 223 | 123.2 Ų | 123.2 | 84% | 0.842 | 63% | 0.626 | S | S | * | * | trans | -53.1 | 106.5 | 179 | -88.8 | -170.2 | 168.5 | -141.6 | -1 | 109.5 | P161 H165 | P161-R163 PolarHBondContact O-N 3.07Å; R163-H165 PolarHBondContact O-CD2 3.21Å; R163-H165 VanDerWaalsContact O-CD2 3.23Å; R163-H165 PolarHBondContact O-N 3.44Å; R163-H165 PolarHBondContact O-NE2 2.88Å | ||
| 164 | K | 84 | Confident | 73.5 | Confident | 167 Ų | 167 | 118.6 Ų | 118.6 | 73% | 0.726 | 61% | 0.612 | S | S | * | * | trans | -66.9 | 114.9 | -175.3 | -66.4 | -179.8 | -177 | 174 | 0 | 109.6 | Q162 K166 V175 | Q162-K164 PolarHBondContact O-N 3.36Å; K164-K166 PolarHBondContact O-N 3.33Å; K164-V175 HydrophobicContact CB-CG1 3.69Å; K164-V175 HydrophobicContact CG-CG1 4.49Å | ||
| 165 | H | 86.8 | Confident | 75 | Confident | 65 Ų | 65 | 119.6 Ų | 119.6 | 30% | 0.301 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.5 | 99.9 | -178.9 | -59.6 | -81.5 | 0 | 0 | 0 | 109.9 | R163 Y176 S179 L182 | R163-H165 PolarHBondContact O-CD2 3.21Å; R163-H165 VanDerWaalsContact O-CD2 3.23Å; R163-H165 PolarHBondContact O-N 3.44Å; R163-H165 PolarHBondContact O-NE2 2.88Å; H165-Y176 WeakPolarHBondContact CB-O 3.44Å; H165-Y176 PolarHBondContact N-O 3.24Å; H165-Y176 PolarHBondContact O-N 3.02Å; H165-S179 PolarHBondContact CD2-N 3.46Å; H165-S179 PolarHBondContact NE2-N 2.76Å; H165-L182 HydrophobicContact CB-CB 4Å; H165-L182 HydrophobicContact CB-CD2 3.81Å |
| 166 | K | 88.1 | Confident | 76.5 | Confident | 132 Ų | 132 | 111.5 Ų | 111.5 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.8 | 150 | 175.5 | -58 | -171.2 | 179.4 | -177.9 | 0 | 111.2 | K164 H168 V175 L182 | K164-K166 PolarHBondContact O-N 3.33Å; K166-H168 PolarHBondContact O-CE1 2.88Å; K166-V175 HydrophobicContact CB-CG2 4.5Å; K166-V175 HydrophobicContact CG-CG1 4.2Å; K166-V175 HydrophobicContact CG-CG2 4.02Å; K166-L182 VanDerWaalsContact O-CD2 3.22Å; K166-L182 WeakPolarHBondContact O-CD2 3.46Å |
| 167 | C | 90 | Very high | 78 | Confident | 12 Ų | 12 | 110 Ų | 110 | 8% | 0.081 | 58% | 0.576 | C | S | . | * | trans | -77.1 | 146.2 | 160 | -163.3 | 0 | 0 | 0 | 0 | 109.7 | C172 K174 L182 H185 | C167-C172 WeakPolarHBondContact CB-O 3.5Å; C167-K174 WeakPolarHBondContact CB-O 3.26Å; C167-K174 PolarHBondContact N-O 3.43Å; C167-L182 HydrophobicContact CB-CD1 4.02Å; C167-H185 PolarHBondContact SG-NE2 3.34Å | ||
| 168 | H | 86.5 | Confident | 79.6 | Confident | 168 Ų | 168 | 111 Ų | 111 | 78% | 0.778 | 58% | 0.576 | S | S | * | * | trans | -115.8 | 11 | 179.6 | -52.9 | 111 | 0 | 0 | 0 | 112 | K166 | K166-H168 PolarHBondContact O-CE1 2.88Š| ||
| 169 | Y | 86.3 | Confident | 81 | Confident | 133 Ų | 133 | 108.6 Ų | 108.6 | 52% | 0.522 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -79.3 | 135.5 | 177.7 | -158.4 | -89.2 | 0 | 0 | 0 | 109.8 | G171 C172 H189 | Y169-G171 PolarHBondContact O-N 2.77Å; Y169-C172 WeakPolarHBondContact O-CB 3.44Å; Y169-C172 PolarHBondContact O-N 3.32Å; Y169-H189 HydrophobicContact CD1-CB 4.47Å; Y169-H189 AromaticContact CD1-CE1 3.69Å; Y169-H189 AromaticContact CD1-CG 3.91Å; Y169-H189 AromaticContact CD1-ND1 3.6Å; Y169-H189 HydrophobicContact CD2-CB 3.77Å; Y169-H189 AromaticContact CD2-CG 3.85Å; Y169-H189 HydrophobicContact CE1-CB 4.5Å; Y169-H189 AromaticContact CE1-ND1 3.93Å; Y169-H189 HydrophobicContact CE2-CB 3.81Å; Y169-H189 HydrophobicContact CG-CB 4.11Å; Y169-H189 AromaticContact CG-CD2 3.7Å; Y169-H189 AromaticContact CG-CE1 3.91Å; Y169-H189 AromaticContact CG-CG 3.66Å; Y169-H189 AromaticContact CG-ND1 3.85Å; Y169-H189 AromaticContact CG-NE2 3.85Å |
| 170 | A | 86.1 | Confident | 82.5 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 77% | 0.769 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 132.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C172 | A170-C172 VanDerWaalsContact C-N 3.31Å; A170-C172 PolarHBondContact O-N 2.85Å |
| 171 | G | 83.8 | Confident | 83.8 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 93% | 0.928 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 16.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y169 | Y169-G171 PolarHBondContact O-N 2.77Š|
| 172 | C | 85.5 | Confident | 84.9 | Confident | 16 Ų | 16 | 99.9 Ų | 99.9 | 11% | 0.108 | 52% | 0.517 | C | S | . | . | trans | -129.9 | 87.9 | -179.9 | -149.1 | 0 | 0 | 0 | 0 | 114.7 | C167 Y169 A170 K174 H185 H189 | C167-C172 WeakPolarHBondContact CB-O 3.5Å; Y169-C172 WeakPolarHBondContact O-CB 3.44Å; Y169-C172 PolarHBondContact O-N 3.32Å; A170-C172 VanDerWaalsContact C-N 3.31Å; A170-C172 PolarHBondContact O-N 2.85Å; C172-K174 PolarHBondContact O-N 3.31Å; C172-H185 PolarHBondContact SG-NE2 3.36Å; C172-H189 VanDerWaalsContact SG-CE1 3.51Å; C172-H189 PolarHBondContact SG-NE2 2.97Å; C172-H189 VanDerWaalsContact SG-NE2 3.44Å | ||
| 173 | E | 87.1 | Confident | 85.7 | Confident | 188 Ų | 188 | 100.3 Ų | 100.3 | 88% | 0.879 | 52% | 0.517 | S | S | * | . | trans | -77.4 | 19 | -176.8 | -53.4 | -175.7 | 147.7 | 0 | 0 | 115 | V175 | E173-V175 WeakPolarHBondContact O-CG2 3.43Å; E173-V175 PolarHBondContact O-N 3.44Å | ||
| 174 | K | 88.6 | Confident | 86.3 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | trans | -76 | 129.8 | -170.5 | -66.6 | 176.8 | -174.4 | 164.1 | 0 | 111.8 | C167 C172 Y176 | C167-K174 WeakPolarHBondContact CB-O 3.26Å; C167-K174 PolarHBondContact N-O 3.43Å; C172-K174 PolarHBondContact O-N 3.31Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å | ||
| 175 | V | 89.3 | Confident | 86.3 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.4 | -175.7 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | K164 K166 E173 | K164-V175 HydrophobicContact CB-CG1 3.69Å; K164-V175 HydrophobicContact CG-CG1 4.49Å; K166-V175 HydrophobicContact CB-CG2 4.5Å; K166-V175 HydrophobicContact CG-CG1 4.2Å; K166-V175 HydrophobicContact CG-CG2 4.02Å; E173-V175 WeakPolarHBondContact O-CG2 3.43Å; E173-V175 PolarHBondContact O-N 3.44Å |
| 176 | Y | 88.2 | Confident | 86.2 | Confident | 57 Ų | 57 | 83.4 Ų | 83.4 | 22% | 0.224 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.4 | -172.5 | -60.9 | -88.3 | 0 | 0 | 0 | 112.1 | H165 K174 K178 H181 L182 H185 | H165-Y176 WeakPolarHBondContact CB-O 3.44Å; H165-Y176 PolarHBondContact N-O 3.24Å; H165-Y176 PolarHBondContact O-N 3.02Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å; Y176-K178 PolarHBondContact O-N 3.07Å; Y176-K178 VanDerWaalsContact O-N 3.17Å; Y176-H181 HydrophobicContact CD1-CB 3.61Å; Y176-H181 HydrophobicContact CE1-CB 4.45Å; Y176-H181 HydrophobicContact CG-CB 4.1Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 4.04Å; Y176-L182 HydrophobicContact CE2-CD1 4.34Å; Y176-L182 HydrophobicContact CG-CB 4.4Å; Y176-H185 HydrophobicContact CE1-CB 4.38Å; Y176-H185 HydrophobicContact CE2-CB 3.91Å; Y176-H185 AromaticContact CE2-CD2 3.37Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.28Å; Y176-H185 AromaticContact CE2-CG 3.84Å; Y176-H185 AromaticContact CZ-CD2 3.73Å; Y176-H185 AromaticContact CZ-CG 3.75Å; Y176-H185 WeakPolarHBondContact OH-CB 3.45Å; Y176-H185 PolarHBondContact OH-CD2 3.09Å; Y176-H185 VanDerWaalsContact OH-CG 3.23Å |
| 177 | G | 86.6 | Confident | 86 | Confident | 41 Ų | 41 | 80 Ų | 80 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -71 | -1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 178 | K | 86 | Confident | 85.5 | Confident | 118 Ų | 118 | 83.7 Ų | 83.7 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -141.6 | 132 | -179.4 | -62.9 | -174.5 | -179.2 | -178.9 | 0 | 111.4 | Y176 S180 H181 L182 | Y176-K178 PolarHBondContact O-N 3.07Å; Y176-K178 VanDerWaalsContact O-N 3.17Å; K178-S180 PolarHBondContact O-N 3.26Å; K178-H181 HydrophobicContact CB-CB 4.46Å; K178-H181 WeakPolarHBondContact O-CB 3.46Å; K178-H181 PolarHBondContact O-N 2.81Å; K178-L182 PolarHBondContact O-N 2.82Å |
| 179 | S | 84.9 | Confident | 85.3 | Confident | 74 Ų | 74 | 78.1 Ų | 78.1 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.9 | -36.1 | 177.9 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | H165 H181 L182 K183 | H165-S179 PolarHBondContact CD2-N 3.46Å; H165-S179 PolarHBondContact NE2-N 2.76Å; S179-H181 VanDerWaalsContact C-N 3.3Å; S179-H181 PolarHBondContact O-N 2.61Å; S179-L182 PolarHBondContact O-N 2.83Å; S179-K183 WeakPolarHBondContact O-CB 3.44Å; S179-K183 PolarHBondContact O-N 3.23Å |
| 180 | S | 84.3 | Confident | 85 | Confident | 72 Ų | 72 | 76.2 Ų | 76.2 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -33.6 | 175.2 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | K178 A184 | K178-S180 PolarHBondContact O-N 3.26Å; S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 3.18Å |
| 181 | H | 85.6 | Confident | 84.5 | Confident | 99 Ų | 99 | 74.2 Ų | 74.2 | 46% | 0.458 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.2 | -41.1 | 176.7 | -65.3 | -171.8 | 0 | 0 | 0 | 111.1 | Y176 K178 S179 A184 H185 | Y176-H181 HydrophobicContact CD1-CB 3.61Å; Y176-H181 HydrophobicContact CE1-CB 4.45Å; Y176-H181 HydrophobicContact CG-CB 4.1Å; K178-H181 HydrophobicContact CB-CB 4.46Å; K178-H181 WeakPolarHBondContact O-CB 3.46Å; K178-H181 PolarHBondContact O-N 2.81Å; S179-H181 VanDerWaalsContact C-N 3.3Å; S179-H181 PolarHBondContact O-N 2.61Å; H181-A184 PolarHBondContact O-N 3.42Å; H181-H185 PolarHBondContact O-N 3.06Å |
| 182 | L | 87.5 | Confident | 84.2 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 171.1 | 175.2 | 63 | 0 | 0 | 0 | 110.7 | H165 K166 C167 Y176 K178 S179 A184 H185 L186 | H165-L182 HydrophobicContact CB-CB 4Å; H165-L182 HydrophobicContact CB-CD2 3.81Å; K166-L182 VanDerWaalsContact O-CD2 3.22Å; K166-L182 WeakPolarHBondContact O-CD2 3.46Å; C167-L182 HydrophobicContact CB-CD1 4.02Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 4.04Å; Y176-L182 HydrophobicContact CE2-CD1 4.34Å; Y176-L182 HydrophobicContact CG-CB 4.4Å; K178-L182 PolarHBondContact O-N 2.82Å; S179-L182 PolarHBondContact O-N 2.83Å; L182-A184 VanDerWaalsContact C-N 3.25Å; L182-A184 PolarHBondContact O-N 3.04Å; L182-H185 CarbonylContact O-C 3.56Å; L182-H185 WeakPolarHBondContact O-CA 3.11Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 3.21Å; L182-L186 HydrophobicContact CD1-CD2 4.3Å; L182-L186 HydrophobicContact CD1-CG 4.14Å; L182-L186 HydrophobicContact CG-CD1 4.25Å; L182-L186 HydrophobicContact CG-CG 4.33Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.2Å |
| 183 | K | 84.1 | Confident | 83.9 | Confident | 151 Ų | 151 | 81.5 Ų | 81.5 | 66% | 0.657 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.6 | -30.1 | -179.9 | -164.5 | 165.2 | -170.2 | 167.5 | 0 | 112.9 | S179 | S179-K183 WeakPolarHBondContact O-CB 3.44Å; S179-K183 PolarHBondContact O-N 3.23Å |
| 184 | A | 82.3 | Confident | 83.5 | Confident | 20 Ų | 20 | 76.2 Ų | 76.2 | 17% | 0.165 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -75 | -31.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | S180 H181 L182 R208 | S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 3.18Å; H181-A184 PolarHBondContact O-N 3.42Å; L182-A184 VanDerWaalsContact C-N 3.25Å; L182-A184 PolarHBondContact O-N 3.04Å; A184-R208 HydrophobicContact CB-CG 4.35Å |
| 185 | H | 85.1 | Confident | 83.1 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 5% | 0.046 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 173.4 | 167.6 | 36.8 | 0 | 0 | 0 | 112.6 | C167 C172 Y176 H181 L182 R187 T188 H189 | C167-H185 PolarHBondContact SG-NE2 3.34Å; C172-H185 PolarHBondContact SG-NE2 3.36Å; Y176-H185 HydrophobicContact CE1-CB 4.38Å; Y176-H185 HydrophobicContact CE2-CB 3.91Å; Y176-H185 AromaticContact CE2-CD2 3.37Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.28Å; Y176-H185 AromaticContact CE2-CG 3.84Å; Y176-H185 AromaticContact CZ-CD2 3.73Å; Y176-H185 AromaticContact CZ-CG 3.75Å; Y176-H185 WeakPolarHBondContact OH-CB 3.45Å; Y176-H185 PolarHBondContact OH-CD2 3.09Å; Y176-H185 VanDerWaalsContact OH-CG 3.23Å; H181-H185 PolarHBondContact O-N 3.06Å; L182-H185 CarbonylContact O-C 3.56Å; L182-H185 WeakPolarHBondContact O-CA 3.11Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 3.21Å; H185-R187 PolarHBondContact O-N 3.12Å; H185-T188 PolarHBondContact CE1-OG1 3.21Å; H185-T188 PolarHBondContact ND1-OG1 2.82Å; H185-T188 WeakPolarHBondContact O-CB 3.42Å; H185-T188 PolarHBondContact O-N 2.93Å; H185-T188 PolarHBondContact O-OG1 3.48Å; H185-H189 AromaticContact CE1-CD2 3.76Å; H185-H189 AromaticContact CE1-CE1 3.88Å; H185-H189 AromaticContact CE1-NE2 3.2Å; H185-H189 PolarHBondContact CE1-NE2 3.16Å; H185-H189 AromaticContact NE2-CD2 3.98Å; H185-H189 AromaticContact NE2-NE2 3.36Å; H185-H189 PolarHBondContact NE2-NE2 2.94Å |
| 186 | L | 84.6 | Confident | 82.8 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.1 | -27.4 | -179.6 | -68.5 | 172.7 | 0 | 0 | 0 | 112.6 | L182 T188 H189 T190 | L182-L186 HydrophobicContact CD1-CD2 4.3Å; L182-L186 HydrophobicContact CD1-CG 4.14Å; L182-L186 HydrophobicContact CG-CD1 4.25Å; L182-L186 HydrophobicContact CG-CG 4.33Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.2Å; L186-T188 PolarHBondContact O-N 3.3Å; L186-H189 WeakPolarHBondContact O-CB 3.37Å; L186-H189 PolarHBondContact O-N 3.1Å; L186-T190 PolarHBondContact O-N 3.4Å |
| 187 | R | 83.2 | Confident | 82.7 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 22% | 0.223 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.4 | -21 | 171 | -64.3 | -173.3 | -179.3 | 132.9 | 6.4 | 115 | H185 G191 E192 A207 | H185-R187 PolarHBondContact O-N 3.12Å; R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.03Å; R187-E192 HydrophobicContact CB-CB 4.32Å; R187-E192 HydrophobicContact CG-CB 4.08Å; R187-E192 IonicContact NE-OE2 2.88Å; R187-E192 PolarHBondContact O-N 3.23Å; R187-A207 HydrophobicContact CB-CB 4.21Å; R187-A207 WeakPolarHBondContact CD-O 3.18Å; R187-A207 PolarHBondContact NH1-O 3.23Å |
| 188 | T | 80.6 | Confident | 82.5 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.7 | -15.8 | 172.2 | 72.7 | 0 | 0 | 0 | 0 | 112.4 | H185 L186 | H185-T188 PolarHBondContact CE1-OG1 3.21Å; H185-T188 PolarHBondContact ND1-OG1 2.82Å; H185-T188 WeakPolarHBondContact O-CB 3.42Å; H185-T188 PolarHBondContact O-N 2.93Å; H185-T188 PolarHBondContact O-OG1 3.48Å; L186-T188 PolarHBondContact O-N 3.3Å |
| 189 | H | 81.8 | Confident | 82.1 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -95.3 | -42 | 173.2 | -63.1 | -53.8 | 0 | 0 | 0 | 111.6 | Y169 C172 H185 L186 G191 | Y169-H189 HydrophobicContact CD1-CB 4.47Å; Y169-H189 AromaticContact CD1-CE1 3.69Å; Y169-H189 AromaticContact CD1-CG 3.91Å; Y169-H189 AromaticContact CD1-ND1 3.6Å; Y169-H189 HydrophobicContact CD2-CB 3.77Å; Y169-H189 AromaticContact CD2-CG 3.85Å; Y169-H189 HydrophobicContact CE1-CB 4.5Å; Y169-H189 AromaticContact CE1-ND1 3.93Å; Y169-H189 HydrophobicContact CE2-CB 3.81Å; Y169-H189 HydrophobicContact CG-CB 4.11Å; Y169-H189 AromaticContact CG-CD2 3.7Å; Y169-H189 AromaticContact CG-CE1 3.91Å; Y169-H189 AromaticContact CG-CG 3.66Å; Y169-H189 AromaticContact CG-ND1 3.85Å; Y169-H189 AromaticContact CG-NE2 3.85Å; C172-H189 VanDerWaalsContact SG-CE1 3.51Å; C172-H189 PolarHBondContact SG-NE2 2.97Å; C172-H189 VanDerWaalsContact SG-NE2 3.44Å; H185-H189 AromaticContact CE1-CD2 3.76Å; H185-H189 AromaticContact CE1-CE1 3.88Å; H185-H189 AromaticContact CE1-NE2 3.2Å; H185-H189 PolarHBondContact CE1-NE2 3.16Å; H185-H189 AromaticContact NE2-CD2 3.98Å; H185-H189 AromaticContact NE2-NE2 3.36Å; H185-H189 PolarHBondContact NE2-NE2 2.94Å; L186-H189 WeakPolarHBondContact O-CB 3.37Å; L186-H189 PolarHBondContact O-N 3.1Å; H189-G191 VanDerWaalsContact C-N 3.31Å; H189-G191 PolarHBondContact O-N 3.31Å |
| 190 | T | 79.2 | Confident | 81.7 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -80.1 | -8.3 | 178.1 | 63.1 | 0 | 0 | 0 | 0 | 114.3 | L186 E192 | L186-T190 PolarHBondContact O-N 3.4Å; T190-E192 PolarHBondContact O-N 3.46Å; T190-E192 VanDerWaalsContact O-N 3.14Å; T190-E192 WeakPolarHBondContact OG1-CG 3.36Å |
| 191 | G | 76.4 | Confident | 81.5 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 54% | 0.536 | 43% | 0.425 | S | S | . | . | trans | 70.4 | 1.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R187 H189 R193 | R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.03Å; H189-G191 VanDerWaalsContact C-N 3.31Å; H189-G191 PolarHBondContact O-N 3.31Å; G191-R193 WeakPolarHBondContact O-CG 3.5Å; G191-R193 PolarHBondContact O-N 3.07Å | ||
| 192 | E | 77 | Confident | 81.4 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | trans | -59.3 | 123.3 | -178.3 | -78.5 | -175 | 180 | 0 | 0 | 112.4 | R187 T190 P194 | R187-E192 HydrophobicContact CB-CB 4.32Å; R187-E192 HydrophobicContact CG-CB 4.08Å; R187-E192 IonicContact NE-OE2 2.88Å; R187-E192 PolarHBondContact O-N 3.23Å; T190-E192 PolarHBondContact O-N 3.46Å; T190-E192 VanDerWaalsContact O-N 3.14Å; T190-E192 WeakPolarHBondContact OG1-CG 3.36Å; E192-P194 WeakPolarHBondContact O-CD 3.27Å | ||
| 193 | R | 78.9 | Confident | 80.9 | Confident | 151 Ų | 151 | 82.8 Ų | 82.8 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | trans | -125.9 | 73.7 | 177.3 | -66.9 | 165.9 | 81.6 | 148 | 3.4 | 110.8 | G191 F195 K205 F206 | G191-R193 WeakPolarHBondContact O-CG 3.5Å; G191-R193 PolarHBondContact O-N 3.07Å; R193-F195 PolarHBondContact O-N 3.12Å; R193-K205 HydrophobicContact CB-CB 3.83Å; R193-K205 VanDerWaalsContact CZ-O 3.25Å; R193-K205 PolarHBondContact NE-O 2.89Å; R193-K205 PolarHBondContact NH2-O 3.13Å; R193-F206 CarbonylContact C-O 3.42Å; R193-F206 WeakPolarHBondContact CA-O 3.45Å | ||
| 194 | P | 79.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 49% | 0.494 | 43% | 0.434 | S | S | . | . | trans | -68.7 | -16.2 | -171.6 | -19.1 | 33.3 | 0 | 0 | 0 | 114.6 | E192 | E192-P194 WeakPolarHBondContact O-CD 3.27Š| ||
| 195 | F | 80.7 | Confident | 80.8 | Confident | 58 Ų | 58 | 86 Ų | 86 | 25% | 0.254 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 87.9 | -170.5 | -58.8 | -78.3 | 0 | 0 | 0 | 110.3 | R193 K205 F206 A207 L212 | R193-F195 PolarHBondContact O-N 3.12Å; F195-K205 CarbonylContact O-C 3.16Å; F195-K205 WeakPolarHBondContact O-CA 3.47Å; F195-F206 HydrophobicContact CB-CB 4.24Å; F195-F206 PolarHBondContact N-O 2.84Å; F195-F206 VanDerWaalsContact N-O 3.13Å; F195-F206 WeakPolarHBondContact O-CD2 3.41Å; F195-F206 PolarHBondContact O-N 2.81Å; F195-A207 WeakPolarHBondContact CE2-O 3.37Å; F195-L212 HydrophobicContact CB-CB 4.07Å; F195-L212 HydrophobicContact CB-CD2 3.83Å |
| 196 | A | 82.9 | Confident | 80.7 | Confident | 51 Ų | 51 | 87.2 Ų | 87.2 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 147.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | K205 L212 | A196-K205 HydrophobicContact CB-CG 4.11Å; A196-L212 VanDerWaalsContact O-CD2 3.26Å; A196-L212 WeakPolarHBondContact O-CD2 3.46Å |
| 197 | C | 86.1 | Confident | 80.4 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 9% | 0.088 | 44% | 0.444 | C | S | . | . | trans | -73.8 | 135.9 | 162.7 | -166.2 | 0 | 0 | 0 | 0 | 109.8 | W199 C202 K204 L212 Y216 H219 | C197-W199 VanDerWaalsContact C-N 3.34Å; C197-C202 WeakPolarHBondContact CB-O 3.29Å; C197-K204 WeakPolarHBondContact CB-O 3.45Å; C197-K204 PolarHBondContact N-O 2.84Å; C197-L212 HydrophobicContact CB-CD1 3.98Å; C197-Y216 WeakPolarHBondContact SG-CE1 3.19Å; C197-H219 PolarHBondContact SG-NE2 2.72Å; C197-H219 VanDerWaalsContact SG-NE2 3.44Å | ||
| 198 | S | 81.8 | Confident | 80.2 | Confident | 93 Ų | 93 | 86.7 Ų | 86.7 | 65% | 0.65 | 45% | 0.452 | S | S | * | . | trans | -94.6 | 12.4 | 176.9 | 68 | 0 | 0 | 0 | 0 | 113 | Y216 | S198-Y216 PolarHBondContact N-OH 2.84Å; S198-Y216 PolarHBondContact OG-OH 2.93Å; S198-Y216 VanDerWaalsContact OG-OH 3.13Å | ||
| 199 | W | 77.9 | Confident | 80.1 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | trans | -80.1 | 127.2 | 173.5 | -148.2 | -76.3 | 0 | 0 | 0 | 108.4 | C197 D201 C202 Y216 H219 | C197-W199 VanDerWaalsContact C-N 3.34Å; W199-D201 VanDerWaalsContact C-N 3.3Å; W199-D201 PolarHBondContact O-N 3.42Å; W199-C202 HydrophobicContact CB-CB 3.98Å; W199-C202 PolarHBondContact O-N 3.08Å; W199-Y216 HydrophobicContact CE3-CD1 4.5Å; W199-H219 HydrophobicContact CD2-CB 3.76Å; W199-H219 AromaticContact CD2-CD2 3.81Å; W199-H219 AromaticContact CD2-CG 3.7Å; W199-H219 HydrophobicContact CE3-CB 3.53Å; W199-H219 AromaticContact CE3-CD2 3.7Å; W199-H219 AromaticContact CE3-CG 3.75Å; W199-H219 AromaticContact CG-CD2 3.94Å; W199-H219 HydrophobicContact CH2-CB 3.68Å; W199-H219 HydrophobicContact CZ2-CB 3.91Å; W199-H219 HydrophobicContact CZ3-CB 3.49Å; W199-H219 VanDerWaalsContact CZ3-CB 3.49Å | ||
| 200 | Q | 76.7 | Confident | 80 | Confident | 182 Ų | 182 | 86.7 Ų | 86.7 | 85% | 0.85 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -41.8 | -166.3 | -169.2 | 165.1 | -10.6 | 0 | 0 | 112.8 | C202 | Q200-C202 VanDerWaalsContact C-N 3.26Å; Q200-C202 PolarHBondContact O-N 2.82Å |
| 201 | D | 80.3 | Confident | 80 | Confident | 147 Ų | 147 | 84.5 Ų | 84.5 | 79% | 0.786 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 10 | 178.6 | -40.1 | -75.9 | 0 | 0 | 0 | 113.8 | W199 | W199-D201 VanDerWaalsContact C-N 3.3Å; W199-D201 PolarHBondContact O-N 3.42Å |
| 202 | C | 82.3 | Confident | 80.4 | Confident | 14 Ų | 14 | 82.9 Ų | 82.9 | 10% | 0.095 | 42% | 0.418 | C | S | . | . | trans | -134.5 | 82.4 | -171.8 | -147 | 0 | 0 | 0 | 0 | 114.6 | C197 W199 Q200 K204 H215 H219 | C197-C202 WeakPolarHBondContact CB-O 3.29Å; W199-C202 HydrophobicContact CB-CB 3.98Å; W199-C202 PolarHBondContact O-N 3.08Å; Q200-C202 VanDerWaalsContact C-N 3.26Å; Q200-C202 PolarHBondContact O-N 2.82Å; C202-K204 PolarHBondContact O-N 3.13Å; C202-H215 PolarHBondContact SG-NE2 3.06Å; C202-H219 VanDerWaalsContact SG-CE1 3.52Å | ||
| 203 | N | 77.7 | Confident | 80.7 | Confident | 147 Ų | 147 | 80.1 Ų | 80.1 | 79% | 0.786 | 41% | 0.414 | S | S | * | . | trans | -68.6 | 25.6 | 174.8 | -91.4 | -66.2 | 0 | 0 | 0 | 115.7 | ||||
| 204 | K | 80.8 | Confident | 80.7 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | trans | -79.6 | 123.9 | -177 | -68.9 | -176.5 | -177.9 | 176.8 | 0 | 111.6 | C197 C202 F206 | C197-K204 WeakPolarHBondContact CB-O 3.45Å; C197-K204 PolarHBondContact N-O 2.84Å; C202-K204 PolarHBondContact O-N 3.13Å; K204-F206 HydrophobicContact CB-CE2 3.78Å; K204-F206 HydrophobicContact CB-CZ 3.93Å; K204-F206 WeakPolarHBondContact O-CE2 3.46Å | ||
| 205 | K | 84.3 | Confident | 80.9 | Confident | 113 Ų | 113 | 74.3 Ų | 74.3 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 147 | 179 | -57.1 | 178.8 | -177.2 | 174.6 | 0 | 111.4 | R193 F195 A196 | R193-K205 HydrophobicContact CB-CB 3.83Å; R193-K205 VanDerWaalsContact CZ-O 3.25Å; R193-K205 PolarHBondContact NE-O 2.89Å; R193-K205 PolarHBondContact NH2-O 3.13Å; F195-K205 CarbonylContact O-C 3.16Å; F195-K205 WeakPolarHBondContact O-CA 3.47Å; A196-K205 HydrophobicContact CB-CG 4.11Å |
| 206 | F | 82.1 | Confident | 80.8 | Confident | 36 Ų | 36 | 74.3 Ų | 74.3 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.5 | -173.9 | -59.8 | -89.6 | 0 | 0 | 0 | 112.3 | R193 F195 K204 E211 L212 H215 | R193-F206 CarbonylContact C-O 3.42Å; R193-F206 WeakPolarHBondContact CA-O 3.45Å; F195-F206 HydrophobicContact CB-CB 4.24Å; F195-F206 PolarHBondContact N-O 2.84Å; F195-F206 VanDerWaalsContact N-O 3.13Å; F195-F206 WeakPolarHBondContact O-CD2 3.41Å; F195-F206 PolarHBondContact O-N 2.81Å; K204-F206 HydrophobicContact CB-CE2 3.78Å; K204-F206 HydrophobicContact CB-CZ 3.93Å; K204-F206 WeakPolarHBondContact O-CE2 3.46Å; F206-E211 HydrophobicContact CB-CB 3.98Å; F206-E211 HydrophobicContact CD1-CB 3.76Å; F206-E211 HydrophobicContact CG-CB 4.11Å; F206-L212 HydrophobicContact CB-CB 4.4Å; F206-L212 HydrophobicContact CD2-CB 4.06Å; F206-L212 HydrophobicContact CD2-CD1 3.93Å; F206-L212 HydrophobicContact CE2-CD1 4.17Å; F206-L212 HydrophobicContact CG-CB 4.37Å; F206-H215 HydrophobicContact CE1-CB 4.26Å; F206-H215 HydrophobicContact CE2-CB 3.98Å; F206-H215 AromaticContact CE2-CD2 3.28Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.06Å; F206-H215 AromaticContact CE2-CG 3.84Å; F206-H215 HydrophobicContact CZ-CB 3.64Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.29Å; F206-H215 AromaticContact CZ-CG 3.55Å |
| 207 | A | 79.4 | Confident | 80.7 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -83.6 | -20.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R187 F195 E211 | R187-A207 HydrophobicContact CB-CB 4.21Å; R187-A207 WeakPolarHBondContact CD-O 3.18Å; R187-A207 PolarHBondContact NH1-O 3.23Å; F195-A207 WeakPolarHBondContact CE2-O 3.37Å; A207-E211 PolarHBondContact N-OE2 3.03Å |
| 208 | R | 78.1 | Confident | 80.3 | Confident | 104 Ų | 104 | 79.9 Ų | 79.9 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -130.1 | 153.9 | 178.2 | -37.8 | -163.4 | -45 | -157.8 | 6.1 | 113 | A184 D210 E211 L212 | A184-R208 HydrophobicContact CB-CG 4.35Å; R208-D210 WeakPolarHBondContact CB-OD1 3.26Å; R208-D210 IonicContact CZ-OD1 3.89Å; R208-D210 IonicContact CZ-OD2 3.9Å; R208-D210 IonicContact NE-OD1 2.85Å; R208-D210 PolarHBondContact NE-OD1 3.08Å; R208-D210 IonicContact NE-OD2 3.23Å; R208-D210 VanDerWaalsContact NH2-CG 3.31Å; R208-D210 IonicContact NH2-OD1 3.23Å; R208-D210 PolarHBondContact NH2-OD1 3.43Å; R208-D210 IonicContact NH2-OD2 3.41Å; R208-D210 PolarHBondContact NH2-OD2 3.42Å; R208-E211 HydrophobicContact CB-CG 3.98Å; R208-E211 HydrophobicContact CG-CG 4.28Å; R208-E211 PolarHBondContact N-OE2 3.49Å; R208-E211 PolarHBondContact O-N 3.07Å; R208-L212 PolarHBondContact O-N 3.47Å |
| 209 | S | 78.5 | Confident | 80.1 | Confident | 72 Ų | 72 | 78 Ų | 78 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.7 | -33 | 178.4 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | E211 L212 A213 | S209-E211 VanDerWaalsContact C-N 3.34Å; S209-L212 PolarHBondContact O-N 3.41Å; S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.19Å |
| 210 | D | 78.7 | Confident | 80 | Confident | 69 Ų | 69 | 76.7 Ų | 76.7 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70 | -31.7 | 177.2 | 71.7 | -69.1 | 0 | 0 | 0 | 112.3 | R208 A213 R214 | R208-D210 WeakPolarHBondContact CB-OD1 3.26Å; R208-D210 IonicContact CZ-OD1 3.89Å; R208-D210 IonicContact CZ-OD2 3.9Å; R208-D210 IonicContact NE-OD1 2.85Å; R208-D210 PolarHBondContact NE-OD1 3.08Å; R208-D210 IonicContact NE-OD2 3.23Å; R208-D210 VanDerWaalsContact NH2-CG 3.31Å; R208-D210 IonicContact NH2-OD1 3.23Å; R208-D210 PolarHBondContact NH2-OD1 3.43Å; R208-D210 IonicContact NH2-OD2 3.41Å; R208-D210 PolarHBondContact NH2-OD2 3.42Å; D210-A213 PolarHBondContact O-N 3.19Å; D210-R214 WeakPolarHBondContact O-CB 3.41Å; D210-R214 PolarHBondContact O-N 3.35Å |
| 211 | E | 80.9 | Confident | 79.7 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.2 | -62.5 | 173.6 | 151.6 | 0 | 0 | 110.9 | F206 A207 R208 S209 R214 H215 | F206-E211 HydrophobicContact CB-CB 3.98Å; F206-E211 HydrophobicContact CD1-CB 3.76Å; F206-E211 HydrophobicContact CG-CB 4.11Å; A207-E211 PolarHBondContact N-OE2 3.03Å; R208-E211 HydrophobicContact CB-CG 3.98Å; R208-E211 HydrophobicContact CG-CG 4.28Å; R208-E211 PolarHBondContact N-OE2 3.49Å; R208-E211 PolarHBondContact O-N 3.07Å; S209-E211 VanDerWaalsContact C-N 3.34Å; E211-R214 PolarHBondContact O-N 2.97Å; E211-H215 WeakPolarHBondContact O-CB 3.33Å; E211-H215 PolarHBondContact O-N 3.2Å |
| 212 | L | 84.3 | Confident | 79.1 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 173.8 | 175.1 | 62 | 0 | 0 | 0 | 111.6 | F195 A196 C197 F206 R208 S209 R214 H215 Y216 | F195-L212 HydrophobicContact CB-CB 4.07Å; F195-L212 HydrophobicContact CB-CD2 3.83Å; A196-L212 VanDerWaalsContact O-CD2 3.26Å; A196-L212 WeakPolarHBondContact O-CD2 3.46Å; C197-L212 HydrophobicContact CB-CD1 3.98Å; F206-L212 HydrophobicContact CB-CB 4.4Å; F206-L212 HydrophobicContact CD2-CB 4.06Å; F206-L212 HydrophobicContact CD2-CD1 3.93Å; F206-L212 HydrophobicContact CE2-CD1 4.17Å; F206-L212 HydrophobicContact CG-CB 4.37Å; R208-L212 PolarHBondContact O-N 3.47Å; S209-L212 PolarHBondContact O-N 3.41Å; L212-R214 VanDerWaalsContact C-N 3.26Å; L212-R214 PolarHBondContact O-N 3.5Å; L212-H215 CarbonylContact O-C 3.54Å; L212-H215 WeakPolarHBondContact O-CA 3.5Å; L212-H215 WeakPolarHBondContact O-CB 3.46Å; L212-H215 PolarHBondContact O-N 2.73Å; L212-Y216 HydrophobicContact CD1-CD2 4.07Å; L212-Y216 HydrophobicContact CD1-CE2 3.55Å; L212-Y216 HydrophobicContact CD2-CE2 3.88Å; L212-Y216 HydrophobicContact CG-CD2 3.99Å; L212-Y216 HydrophobicContact CG-CE2 3.49Å; L212-Y216 VanDerWaalsContact CG-CE2 3.49Å; L212-Y216 WeakPolarHBondContact O-CD2 3.49Å; L212-Y216 PolarHBondContact O-N 3.11Å |
| 213 | A | 82.3 | Confident | 78.7 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -32.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S209 D210 | S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.19Å; D210-A213 PolarHBondContact O-N 3.19Å |
| 214 | R | 78.8 | Confident | 78.6 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.4 | -32.7 | 170.9 | -179.6 | -178.7 | 66.1 | -169.8 | -5.5 | 112.2 | D210 E211 L212 M235 R236 | D210-R214 WeakPolarHBondContact O-CB 3.41Å; D210-R214 PolarHBondContact O-N 3.35Å; E211-R214 PolarHBondContact O-N 2.97Å; L212-R214 VanDerWaalsContact C-N 3.26Å; L212-R214 PolarHBondContact O-N 3.5Å; R214-M235 HydrophobicContact CG-CE 4.42Å; R214-M235 WeakPolarHBondContact O-CE 3.41Å; R214-R236 HydrophobicContact CG-CG 4.29Å |
| 215 | H | 83.6 | Confident | 78.5 | Confident | 16 Ų | 16 | 66 Ų | 66 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.8 | -40.7 | 175.5 | 172.4 | 36.4 | 0 | 0 | 0 | 112.6 | C202 F206 E211 L212 R217 T218 H219 | C202-H215 PolarHBondContact SG-NE2 3.06Å; F206-H215 HydrophobicContact CE1-CB 4.26Å; F206-H215 HydrophobicContact CE2-CB 3.98Å; F206-H215 AromaticContact CE2-CD2 3.28Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.06Å; F206-H215 AromaticContact CE2-CG 3.84Å; F206-H215 HydrophobicContact CZ-CB 3.64Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.29Å; F206-H215 AromaticContact CZ-CG 3.55Å; E211-H215 WeakPolarHBondContact O-CB 3.33Å; E211-H215 PolarHBondContact O-N 3.2Å; L212-H215 CarbonylContact O-C 3.54Å; L212-H215 WeakPolarHBondContact O-CA 3.5Å; L212-H215 WeakPolarHBondContact O-CB 3.46Å; L212-H215 PolarHBondContact O-N 2.73Å; H215-R217 PolarHBondContact O-N 3.42Å; H215-T218 PolarHBondContact CE1-OG1 3.49Å; H215-T218 PolarHBondContact ND1-OG1 2.77Å; H215-T218 WeakPolarHBondContact O-CB 3.24Å; H215-T218 PolarHBondContact O-N 3.36Å; H215-T218 PolarHBondContact O-OG1 3.08Å; H215-H219 AromaticContact CE1-CE1 3.69Å; H215-H219 AromaticContact CE1-NE2 3.25Å; H215-H219 PolarHBondContact CE1-NE2 2.83Å; H215-H219 VanDerWaalsContact CE1-NE2 3.25Å; H215-H219 AromaticContact NE2-NE2 3.34Å; H215-H219 PolarHBondContact NE2-NE2 3.31Å |
| 216 | Y | 80.1 | Confident | 78.3 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54.5 | -29.8 | 177.1 | -78.5 | -61.1 | 0 | 0 | 0 | 113.2 | C197 S198 W199 L212 T218 H219 T220 | C197-Y216 WeakPolarHBondContact SG-CE1 3.19Å; S198-Y216 PolarHBondContact N-OH 2.84Å; S198-Y216 PolarHBondContact OG-OH 2.93Å; S198-Y216 VanDerWaalsContact OG-OH 3.13Å; W199-Y216 HydrophobicContact CE3-CD1 4.5Å; L212-Y216 HydrophobicContact CD1-CD2 4.07Å; L212-Y216 HydrophobicContact CD1-CE2 3.55Å; L212-Y216 HydrophobicContact CD2-CE2 3.88Å; L212-Y216 HydrophobicContact CG-CD2 3.99Å; L212-Y216 HydrophobicContact CG-CE2 3.49Å; L212-Y216 VanDerWaalsContact CG-CE2 3.49Å; L212-Y216 WeakPolarHBondContact O-CD2 3.49Å; L212-Y216 PolarHBondContact O-N 3.11Å; Y216-T218 PolarHBondContact O-N 2.75Å; Y216-H219 PolarHBondContact O-N 2.92Å; Y216-T220 PolarHBondContact O-N 3.06Å |
| 217 | R | 79.8 | Confident | 78.3 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.9 | -19.6 | 174.7 | -58 | 177.8 | -169.4 | -172.6 | -0.7 | 114.1 | H215 H219 G221 M235 | H215-R217 PolarHBondContact O-N 3.42Å; R217-H219 VanDerWaalsContact C-N 3.33Å; R217-G221 PolarHBondContact O-N 3.04Å; R217-G221 VanDerWaalsContact O-N 3.13Å; R217-M235 HydrophobicContact CB-CE 4.19Å; R217-M235 HydrophobicContact CB-CG 3.7Å; R217-M235 HydrophobicContact CB-SD 3.61Å; R217-M235 VanDerWaalsContact O-SD 3.38Å |
| 218 | T | 77.6 | Confident | 78.3 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.6 | -28 | 172.8 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | H215 Y216 M235 | H215-T218 PolarHBondContact CE1-OG1 3.49Å; H215-T218 PolarHBondContact ND1-OG1 2.77Å; H215-T218 WeakPolarHBondContact O-CB 3.24Å; H215-T218 PolarHBondContact O-N 3.36Å; H215-T218 PolarHBondContact O-OG1 3.08Å; Y216-T218 PolarHBondContact O-N 2.75Å; T218-M235 HydrophobicContact CG2-CE 3.73Å; T218-M235 HydrophobicContact CG2-SD 3.63Å; T218-M235 PolarHBondContact N-SD 3.05Å |
| 219 | H | 78.1 | Confident | 78.3 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -81.5 | -36.4 | 176.8 | -59.9 | -52.7 | 0 | 0 | 0 | 112 | C197 W199 C202 H215 Y216 R217 | C197-H219 PolarHBondContact SG-NE2 2.72Å; C197-H219 VanDerWaalsContact SG-NE2 3.44Å; W199-H219 HydrophobicContact CD2-CB 3.76Å; W199-H219 AromaticContact CD2-CD2 3.81Å; W199-H219 AromaticContact CD2-CG 3.7Å; W199-H219 HydrophobicContact CE3-CB 3.53Å; W199-H219 AromaticContact CE3-CD2 3.7Å; W199-H219 AromaticContact CE3-CG 3.75Å; W199-H219 AromaticContact CG-CD2 3.94Å; W199-H219 HydrophobicContact CH2-CB 3.68Å; W199-H219 HydrophobicContact CZ2-CB 3.91Å; W199-H219 HydrophobicContact CZ3-CB 3.49Å; W199-H219 VanDerWaalsContact CZ3-CB 3.49Å; C202-H219 VanDerWaalsContact SG-CE1 3.52Å; H215-H219 AromaticContact CE1-CE1 3.69Å; H215-H219 AromaticContact CE1-NE2 3.25Å; H215-H219 PolarHBondContact CE1-NE2 2.83Å; H215-H219 VanDerWaalsContact CE1-NE2 3.25Å; H215-H219 AromaticContact NE2-NE2 3.34Å; H215-H219 PolarHBondContact NE2-NE2 3.31Å; Y216-H219 PolarHBondContact O-N 2.92Å; R217-H219 VanDerWaalsContact C-N 3.33Å |
| 220 | T | 75.5 | Confident | 78.4 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 47% | 0.466 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -81.7 | -10.5 | 176.6 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | Y216 E222 | Y216-T220 PolarHBondContact O-N 3.06Å; T220-E222 PolarHBondContact O-N 3.26Å; T220-E222 VanDerWaalsContact O-N 3.12Å |
| 221 | G | 69.8 | Low | 78.5 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | trans | 67.4 | 7.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R217 K223 | R217-G221 PolarHBondContact O-N 3.04Å; R217-G221 VanDerWaalsContact O-N 3.13Å; G221-K223 PolarHBondContact O-N 3.3Å | ||
| 222 | E | 68.9 | Low | 78.3 | Confident | 84 Ų | 84 | 70.8 Ų | 70.8 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | trans | -69.2 | 90.2 | -169.5 | -68.6 | -173 | 117.9 | 0 | 0 | 113.9 | T220 K224 | T220-E222 PolarHBondContact O-N 3.26Å; T220-E222 VanDerWaalsContact O-N 3.12Å; E222-K224 HydrophobicContact CB-CG 4.18Å; E222-K224 PolarHBondContact O-N 3.32Å; E222-K224 VanDerWaalsContact O-N 3.07Å; E222-K224 WeakPolarHBondContact OE1-CE 3.45Å; E222-K224 IonicContact OE1-NZ 2.78Å; E222-K224 PolarHBondContact OE1-NZ 2.99Å; E222-K224 WeakPolarHBondContact OE2-CE 3.03Å; E222-K224 IonicContact OE2-NZ 2.85Å; E222-K224 PolarHBondContact OE2-NZ 2.75Å | ||
| 223 | K | 73.1 | Confident | 78.2 | Confident | 118 Ų | 118 | 77.6 Ų | 77.6 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | trans | -81.8 | 78.3 | 173.8 | -61.1 | 172.4 | -175.3 | 175.7 | 0 | 111.1 | G221 R233 F234 | G221-K223 PolarHBondContact O-N 3.3Å; K223-R233 HydrophobicContact CB-CB 3.71Å; K223-R233 HydrophobicContact CD-CB 4.3Å; K223-R233 PolarHBondContact O-NE 3.25Å; K223-R233 PolarHBondContact O-NH2 3.07Å; K223-F234 CarbonylContact C-O 3.56Å; K223-F234 WeakPolarHBondContact CA-O 3.17Å | ||
| 224 | K | 76.8 | Confident | 78 | Confident | 112 Ų | 112 | 77.4 Ų | 77.4 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | trans | -75.3 | -23.2 | -173.9 | -58.2 | -164.8 | -178.9 | -172.4 | 0 | 115.1 | E222 F234 | E222-K224 HydrophobicContact CB-CG 4.18Å; E222-K224 PolarHBondContact O-N 3.32Å; E222-K224 VanDerWaalsContact O-N 3.07Å; E222-K224 WeakPolarHBondContact OE1-CE 3.45Å; E222-K224 IonicContact OE1-NZ 2.78Å; E222-K224 PolarHBondContact OE1-NZ 2.99Å; E222-K224 WeakPolarHBondContact OE2-CE 3.03Å; E222-K224 IonicContact OE2-NZ 2.85Å; E222-K224 PolarHBondContact OE2-NZ 2.75Å; K224-F234 PolarHBondContact N-O 3.28Å | ||
| 225 | F | 78.1 | Confident | 78 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 12% | 0.118 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.1 | -172.8 | -51.5 | -73.7 | 0 | 0 | 0 | 111.4 | L71 R233 F234 R236 L240 | L71-F225 HydrophobicContact CD2-CB 4.35Å; L71-F225 HydrophobicContact CD2-CD1 3.29Å; L71-F225 HydrophobicContact CD2-CE1 3.79Å; L71-F225 HydrophobicContact CD2-CG 4.05Å; F225-R233 CarbonylContact O-C 3.56Å; F225-R233 WeakPolarHBondContact O-CA 3.3Å; F225-F234 PolarHBondContact N-O 3.44Å; F225-F234 PolarHBondContact O-N 2.78Å; F225-R236 VanDerWaalsContact CD2-C 3.43Å; F225-L240 HydrophobicContact CB-CB 4.45Å; F225-L240 HydrophobicContact CB-CD2 4.05Å |
| 226 | S | 80.9 | Confident | 77.7 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 149 | 174.9 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | L240 | S226-L240 VanDerWaalsContact O-CD2 3.24Å; S226-L240 WeakPolarHBondContact O-CD2 3.48Å |
| 227 | C | 81.6 | Confident | 77.7 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | trans | -82.1 | 126 | 168.3 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | I229 E231 K232 F234 L240 H247 | C227-I229 PolarHBondContact O-N 2.93Å; C227-E231 WeakPolarHBondContact O-CA 3.28Å; C227-E231 PolarHBondContact O-N 3Å; C227-K232 PolarHBondContact N-O 3.09Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; C227-L240 HydrophobicContact CB-CD1 3.63Å; C227-H247 VanDerWaalsContact SG-CD2 3.57Å | ||
| 228 | P | 78.3 | Confident | 77.8 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 60% | 0.597 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.8 | 179.5 | 28.8 | -34.7 | 0 | 0 | 0 | 114.2 | I67 | I67-P228 HydrophobicContact CD1-CG 4.05Å; I67-P228 HydrophobicContact CG1-CG 3.97Å |
| 229 | I | 78.5 | Confident | 78.2 | Confident | 64 Ų | 64 | 74 Ų | 74 | 33% | 0.328 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -32.3 | -175.7 | -59.8 | 171.1 | 0 | 0 | 0 | 112.1 | V63 C227 H247 | V63-I229 HydrophobicContact CG1-CD1 4.31Å; C227-I229 PolarHBondContact O-N 2.93Å; I229-H247 HydrophobicContact CB-CB 4.48Å; I229-H247 HydrophobicContact CD1-CB 3.58Å; I229-H247 HydrophobicContact CG2-CB 4.12Å |
| 230 | C | 81.8 | Confident | 78.5 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 21.6 | 179.8 | 80.6 | 0 | 0 | 0 | 0 | 114 | K232 H243 H247 | C230-K232 PolarHBondContact O-N 3.35Å; C230-H243 PolarHBondContact SG-NE2 3.22Å; C230-H247 VanDerWaalsContact SG-CE1 3.51Å; C230-H247 PolarHBondContact SG-NE2 3.24Å |
| 231 | E | 79.1 | Confident | 79 | Confident | 160 Ų | 160 | 69 Ų | 69 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | trans | 58.2 | -7.2 | 173.2 | -56.4 | -168.7 | 162.1 | 0 | 0 | 117.9 | C227 R233 | C227-E231 WeakPolarHBondContact O-CA 3.28Å; C227-E231 PolarHBondContact O-N 3Å; E231-R233 WeakPolarHBondContact O-CG 3.36Å; E231-R233 PolarHBondContact O-N 3.2Å | ||
| 232 | K | 78.3 | Confident | 79.7 | Confident | 135 Ų | 135 | 73.7 Ų | 73.7 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | trans | -51.7 | 125.9 | 179.7 | -73.3 | -179.4 | -177.2 | -179 | 0 | 111 | C227 C230 F234 | C227-K232 PolarHBondContact N-O 3.09Å; C230-K232 PolarHBondContact O-N 3.35Å; K232-F234 HydrophobicContact CB-CE2 3.96Å; K232-F234 HydrophobicContact CB-CZ 4.15Å; K232-F234 VanDerWaalsContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CE2 3.47Å | ||
| 233 | R | 80.8 | Confident | 80.5 | Confident | 162 Ų | 162 | 71.2 Ų | 71.2 | 61% | 0.611 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.2 | -172.7 | -56.4 | -177.6 | 62.6 | 152.6 | 0.8 | 111.7 | K223 F225 E231 | K223-R233 HydrophobicContact CB-CB 3.71Å; K223-R233 HydrophobicContact CD-CB 4.3Å; K223-R233 PolarHBondContact O-NE 3.25Å; K223-R233 PolarHBondContact O-NH2 3.07Å; F225-R233 CarbonylContact O-C 3.56Å; F225-R233 WeakPolarHBondContact O-CA 3.3Å; E231-R233 WeakPolarHBondContact O-CG 3.36Å; E231-R233 PolarHBondContact O-N 3.2Å |
| 234 | F | 79.5 | Confident | 80.9 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 20% | 0.197 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148 | -177.5 | -59.7 | -88.2 | 0 | 0 | 0 | 111 | K223 K224 F225 C227 K232 R236 H239 L240 H243 | K223-F234 CarbonylContact C-O 3.56Å; K223-F234 WeakPolarHBondContact CA-O 3.17Å; K224-F234 PolarHBondContact N-O 3.28Å; F225-F234 PolarHBondContact N-O 3.44Å; F225-F234 PolarHBondContact O-N 2.78Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; K232-F234 HydrophobicContact CB-CE2 3.96Å; K232-F234 HydrophobicContact CB-CZ 4.15Å; K232-F234 VanDerWaalsContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CE2 3.47Å; F234-R236 VanDerWaalsContact C-N 3.28Å; F234-H239 HydrophobicContact CB-CB 4.42Å; F234-H239 HydrophobicContact CD1-CB 3.87Å; F234-H239 HydrophobicContact CG-CB 4.4Å; F234-L240 HydrophobicContact CB-CB 4.46Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 4.02Å; F234-L240 HydrophobicContact CE2-CD1 4.1Å; F234-L240 HydrophobicContact CG-CB 4.34Å; F234-H243 HydrophobicContact CE1-CB 4.18Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.36Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.43Å; F234-H243 AromaticContact CE2-CG 3.85Å; F234-H243 HydrophobicContact CZ-CB 3.63Å; F234-H243 AromaticContact CZ-CD2 3.37Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.16Å; F234-H243 AromaticContact CZ-CG 3.39Å; F234-H243 AromaticContact CZ-NE2 3.96Å |
| 235 | M | 77.8 | Confident | 81.2 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -79.1 | -12.1 | 173.4 | -166.3 | -167.9 | 78.9 | 0 | 0 | 112.7 | R214 R217 T218 | R214-M235 HydrophobicContact CG-CE 4.42Å; R214-M235 WeakPolarHBondContact O-CE 3.41Å; R217-M235 HydrophobicContact CB-CE 4.19Å; R217-M235 HydrophobicContact CB-CG 3.7Å; R217-M235 HydrophobicContact CB-SD 3.61Å; R217-M235 VanDerWaalsContact O-SD 3.38Å; T218-M235 HydrophobicContact CG2-CE 3.73Å; T218-M235 HydrophobicContact CG2-SD 3.63Å; T218-M235 PolarHBondContact N-SD 3.05Å |
| 236 | R | 77.9 | Confident | 81.4 | Confident | 54 Ų | 54 | 74.4 Ų | 74.4 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | trans | -140.3 | 135.8 | -171.5 | -69.6 | 166.1 | 56.7 | 171.1 | -2.6 | 111.4 | R214 F225 F234 D238 H239 L240 | R214-R236 HydrophobicContact CG-CG 4.29Å; F225-R236 VanDerWaalsContact CD2-C 3.43Å; F234-R236 VanDerWaalsContact C-N 3.28Å; R236-D238 WeakPolarHBondContact CB-OD1 3.46Å; R236-D238 IonicContact CZ-OD1 3.79Å; R236-D238 VanDerWaalsContact CZ-OD1 3.23Å; R236-D238 IonicContact CZ-OD2 2.77Å; R236-D238 IonicContact NE-OD1 3.46Å; R236-D238 PolarHBondContact NE-OD1 3.3Å; R236-D238 IonicContact NE-OD2 2.73Å; R236-D238 IonicContact NH2-OD1 2.76Å; R236-D238 PolarHBondContact NH2-OD1 3.07Å; R236-D238 IonicContact NH2-OD2 2.93Å; R236-D238 PolarHBondContact NH2-OD2 2.97Å; R236-H239 HydrophobicContact CB-CB 4.24Å; R236-H239 PolarHBondContact NE-CE1 3.32Å; R236-H239 PolarHBondContact NE-NE2 3.3Å; R236-H239 PolarHBondContact NH1-CE1 2.88Å; R236-H239 PolarHBondContact NH1-NE2 2.86Å; R236-H239 PolarHBondContact NH2-CE1 3.5Å; R236-H239 VanDerWaalsContact NH2-CE1 3.32Å; R236-H239 PolarHBondContact O-N 3.15Å; R236-L240 PolarHBondContact O-N 2.91Å | ||
| 237 | S | 80.8 | Confident | 81.2 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.8 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | H239 L240 T241 | S237-H239 PolarHBondContact O-N 3.19Å; S237-L240 CarbonylContact O-C 3.58Å; S237-L240 WeakPolarHBondContact O-CA 3.5Å; S237-L240 WeakPolarHBondContact O-CB 3.35Å; S237-L240 PolarHBondContact O-N 2.96Å; S237-T241 PolarHBondContact O-N 3.04Å; S237-T241 PolarHBondContact O-OG1 3.5Å; S237-T241 VanDerWaalsContact O-OG1 3.09Å |
| 238 | D | 81.8 | Confident | 80.7 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -27.6 | 179.5 | 78.2 | -83.5 | 0 | 0 | 0 | 113.5 | R236 K242 | R236-D238 WeakPolarHBondContact CB-OD1 3.46Å; R236-D238 IonicContact CZ-OD1 3.79Å; R236-D238 VanDerWaalsContact CZ-OD1 3.23Å; R236-D238 IonicContact CZ-OD2 2.77Å; R236-D238 IonicContact NE-OD1 3.46Å; R236-D238 PolarHBondContact NE-OD1 3.3Å; R236-D238 IonicContact NE-OD2 2.73Å; R236-D238 IonicContact NH2-OD1 2.76Å; R236-D238 PolarHBondContact NH2-OD1 3.07Å; R236-D238 IonicContact NH2-OD2 2.93Å; R236-D238 PolarHBondContact NH2-OD2 2.97Å; D238-K242 WeakPolarHBondContact O-CB 3.47Å; D238-K242 VanDerWaalsContact O-CG 3.29Å; D238-K242 WeakPolarHBondContact O-CG 3.17Å; D238-K242 PolarHBondContact O-N 3.37Å; D238-K242 VanDerWaalsContact O-N 3.12Å |
| 239 | H | 84.1 | Confident | 80.2 | Confident | 74 Ų | 74 | 75.9 Ų | 75.9 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.8 | -40.5 | 173 | -67.7 | -3.1 | 0 | 0 | 0 | 111.2 | F234 R236 S237 K242 H243 | F234-H239 HydrophobicContact CB-CB 4.42Å; F234-H239 HydrophobicContact CD1-CB 3.87Å; F234-H239 HydrophobicContact CG-CB 4.4Å; R236-H239 HydrophobicContact CB-CB 4.24Å; R236-H239 PolarHBondContact NE-CE1 3.32Å; R236-H239 PolarHBondContact NE-NE2 3.3Å; R236-H239 PolarHBondContact NH1-CE1 2.88Å; R236-H239 PolarHBondContact NH1-NE2 2.86Å; R236-H239 PolarHBondContact NH2-CE1 3.5Å; R236-H239 VanDerWaalsContact NH2-CE1 3.32Å; R236-H239 PolarHBondContact O-N 3.15Å; S237-H239 PolarHBondContact O-N 3.19Å; H239-K242 PolarHBondContact O-N 3.14Å; H239-H243 VanDerWaalsContact O-CB 3.29Å; H239-H243 WeakPolarHBondContact O-CB 3.32Å; H239-H243 PolarHBondContact O-N 2.93Å |
| 240 | L | 85.9 | Confident | 79.5 | Confident | 3 Ų | 3 | 81.1 Ų | 81.1 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 170.6 | 174 | 58.3 | 0 | 0 | 0 | 111.4 | I67 L71 F225 S226 C227 F234 R236 S237 K242 H243 A244 | I67-L240 HydrophobicContact CG2-CD2 4.37Å; I67-L240 HydrophobicContact CG2-CG 4.39Å; L71-L240 HydrophobicContact CD1-CD2 4.42Å; L71-L240 HydrophobicContact CD2-CD2 4.06Å; L71-L240 HydrophobicContact CG-CD2 4.34Å; F225-L240 HydrophobicContact CB-CB 4.45Å; F225-L240 HydrophobicContact CB-CD2 4.05Å; S226-L240 VanDerWaalsContact O-CD2 3.24Å; S226-L240 WeakPolarHBondContact O-CD2 3.48Å; C227-L240 HydrophobicContact CB-CD1 3.63Å; F234-L240 HydrophobicContact CB-CB 4.46Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 4.02Å; F234-L240 HydrophobicContact CE2-CD1 4.1Å; F234-L240 HydrophobicContact CG-CB 4.34Å; R236-L240 PolarHBondContact O-N 2.91Å; S237-L240 CarbonylContact O-C 3.58Å; S237-L240 WeakPolarHBondContact O-CA 3.5Å; S237-L240 WeakPolarHBondContact O-CB 3.35Å; S237-L240 PolarHBondContact O-N 2.96Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.4Å; L240-H243 PolarHBondContact O-N 3.07Å; L240-H243 VanDerWaalsContact O-N 3.16Å; L240-A244 VanDerWaalsContact O-CB 3.3Å; L240-A244 WeakPolarHBondContact O-CB 3.47Å; L240-A244 PolarHBondContact O-N 2.94Å |
| 241 | T | 84.4 | Confident | 78.3 | Confident | 22 Ų | 22 | 82.8 Ų | 82.8 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 178.7 | -48 | 0 | 0 | 0 | 0 | 111.8 | V64 L68 S237 A244 R245 | V64-T241 HydrophobicContact CG1-CG2 4.45Å; L68-T241 HydrophobicContact CD2-CG2 4.43Å; S237-T241 PolarHBondContact O-N 3.04Å; S237-T241 PolarHBondContact O-OG1 3.5Å; S237-T241 VanDerWaalsContact O-OG1 3.09Å; T241-A244 PolarHBondContact O-N 3.24Å; T241-R245 WeakPolarHBondContact O-CG 3.34Å; T241-R245 PolarHBondContact O-N 3.42Å |
| 242 | K | 85.3 | Confident | 76.9 | Confident | 145 Ų | 145 | 81.3 Ų | 81.3 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.1 | -38 | 175.2 | -75.2 | 176.6 | 178.7 | -174.7 | 0 | 112.5 | D238 H239 L240 | D238-K242 WeakPolarHBondContact O-CB 3.47Å; D238-K242 VanDerWaalsContact O-CG 3.29Å; D238-K242 WeakPolarHBondContact O-CG 3.17Å; D238-K242 PolarHBondContact O-N 3.37Å; D238-K242 VanDerWaalsContact O-N 3.12Å; H239-K242 PolarHBondContact O-N 3.14Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.4Å |
| 243 | H | 85.4 | Confident | 75.8 | Confident | 33 Ų | 33 | 78 Ų | 78 | 15% | 0.153 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.9 | -43.8 | 175.6 | 173.4 | 62.4 | 0 | 0 | 0 | 112.4 | C230 F234 H239 L240 R245 R246 H247 | C230-H243 PolarHBondContact SG-NE2 3.22Å; F234-H243 HydrophobicContact CE1-CB 4.18Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.36Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.43Å; F234-H243 AromaticContact CE2-CG 3.85Å; F234-H243 HydrophobicContact CZ-CB 3.63Å; F234-H243 AromaticContact CZ-CD2 3.37Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.16Å; F234-H243 AromaticContact CZ-CG 3.39Å; F234-H243 AromaticContact CZ-NE2 3.96Å; H239-H243 VanDerWaalsContact O-CB 3.29Å; H239-H243 WeakPolarHBondContact O-CB 3.32Å; H239-H243 PolarHBondContact O-N 2.93Å; L240-H243 PolarHBondContact O-N 3.07Å; L240-H243 VanDerWaalsContact O-N 3.16Å; H243-R245 VanDerWaalsContact C-N 3.31Å; H243-R245 PolarHBondContact O-N 2.88Å; H243-R246 VanDerWaalsContact O-CB 3.28Å; H243-R246 WeakPolarHBondContact O-CB 3.49Å; H243-R246 PolarHBondContact O-N 3.35Å; H243-H247 AromaticContact CD2-NE2 3.83Å; H243-H247 AromaticContact CE1-CE1 3.94Å; H243-H247 AromaticContact CE1-NE2 3.3Å; H243-H247 PolarHBondContact CE1-NE2 3Å; H243-H247 VanDerWaalsContact CE1-NE2 3.3Å; H243-H247 AromaticContact NE2-CD2 3.8Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.44Å; H243-H247 PolarHBondContact O-N 2.86Å |
| 244 | A | 82.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I67 L240 T241 R246 H247 A248 | I67-A244 HydrophobicContact CD1-CB 3.62Å; I67-A244 HydrophobicContact CG2-CB 4.44Å; L240-A244 VanDerWaalsContact O-CB 3.3Å; L240-A244 WeakPolarHBondContact O-CB 3.47Å; L240-A244 PolarHBondContact O-N 2.94Å; T241-A244 PolarHBondContact O-N 3.24Å; A244-R246 PolarHBondContact O-N 2.76Å; A244-H247 WeakPolarHBondContact O-CB 3.48Å; A244-H247 PolarHBondContact O-N 3.21Å; A244-H247 VanDerWaalsContact O-N 3.08Å; A244-A248 PolarHBondContact O-N 3.17Å |
| 245 | R | 82.9 | Confident | 72.9 | Confident | 145 Ų | 145 | 82.6 Ų | 82.6 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.8 | -33 | 172 | -72 | 174.8 | -175.7 | -159.3 | -0.7 | 112.9 | V64 T241 H243 H247 A248 N249 | V64-R245 HydrophobicContact CG2-CG 4.09Å; T241-R245 WeakPolarHBondContact O-CG 3.34Å; T241-R245 PolarHBondContact O-N 3.42Å; H243-R245 VanDerWaalsContact C-N 3.31Å; H243-R245 PolarHBondContact O-N 2.88Å; R245-H247 VanDerWaalsContact C-N 3.33Å; R245-H247 PolarHBondContact O-N 3.21Å; R245-A248 PolarHBondContact O-N 3.19Å; R245-N249 VanDerWaalsContact O-CG 3.3Å; R245-N249 PolarHBondContact O-N 3.41Å; R245-N249 VanDerWaalsContact O-N 3.11Å; R245-N249 PolarHBondContact O-OD1 2.93Å; R245-N249 VanDerWaalsContact O-OD1 3.1Å |
| 246 | R | 81.9 | Confident | 71.4 | Confident | 177 Ų | 177 | 88 Ų | 88 | 67% | 0.668 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.1 | -36.9 | 175.1 | -169.2 | 180 | -65.6 | -173.6 | -2.4 | 111.7 | H243 A244 F250 | H243-R246 VanDerWaalsContact O-CB 3.28Å; H243-R246 WeakPolarHBondContact O-CB 3.49Å; H243-R246 PolarHBondContact O-N 3.35Å; A244-R246 PolarHBondContact O-N 2.76Å; R246-F250 PolarHBondContact O-N 2.89Å |
| 247 | H | 77.3 | Confident | 69.6 | Low | 33 Ų | 33 | 96.7 Ų | 96.7 | 15% | 0.153 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 172.7 | -64.9 | -56.7 | 0 | 0 | 0 | 111.7 | C227 I229 C230 H243 A244 R245 N249 F250 H251 | C227-H247 VanDerWaalsContact SG-CD2 3.57Å; I229-H247 HydrophobicContact CB-CB 4.48Å; I229-H247 HydrophobicContact CD1-CB 3.58Å; I229-H247 HydrophobicContact CG2-CB 4.12Å; C230-H247 VanDerWaalsContact SG-CE1 3.51Å; C230-H247 PolarHBondContact SG-NE2 3.24Å; H243-H247 AromaticContact CD2-NE2 3.83Å; H243-H247 AromaticContact CE1-CE1 3.94Å; H243-H247 AromaticContact CE1-NE2 3.3Å; H243-H247 PolarHBondContact CE1-NE2 3Å; H243-H247 VanDerWaalsContact CE1-NE2 3.3Å; H243-H247 AromaticContact NE2-CD2 3.8Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.44Å; H243-H247 PolarHBondContact O-N 2.86Å; A244-H247 WeakPolarHBondContact O-CB 3.48Å; A244-H247 PolarHBondContact O-N 3.21Å; A244-H247 VanDerWaalsContact O-N 3.08Å; R245-H247 VanDerWaalsContact C-N 3.33Å; R245-H247 PolarHBondContact O-N 3.21Å; H247-N249 PolarHBondContact O-N 3.38Å; H247-F250 CarbonylContact O-C 3.58Å; H247-F250 PolarHBondContact O-N 3.44Å; H247-H251 WeakPolarHBondContact O-CA 3.1Å; H247-H251 WeakPolarHBondContact O-CB 3.39Å; H247-H251 PolarHBondContact O-N 3.01Å |
| 248 | A | 71 | Confident | 68.3 | Low | 21 Ų | 21 | 105.8 Ų | 105.8 | 17% | 0.174 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -56.6 | -34.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S60 A244 R245 | S60-A248 WeakPolarHBondContact OG-CB 3.49Å; A244-A248 PolarHBondContact O-N 3.17Å; R245-A248 PolarHBondContact O-N 3.19Å |
| 249 | N | 67.2 | Low | 66.3 | Low | 128 Ų | 128 | 106.8 Ų | 106.8 | 68% | 0.684 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16.5 | 175.7 | -66.7 | 13.7 | 0 | 0 | 0 | 114.5 | R245 H247 | R245-N249 VanDerWaalsContact O-CG 3.3Å; R245-N249 PolarHBondContact O-N 3.41Å; R245-N249 VanDerWaalsContact O-N 3.11Å; R245-N249 PolarHBondContact O-OD1 2.93Å; R245-N249 VanDerWaalsContact O-OD1 3.1Å; H247-N249 PolarHBondContact O-N 3.38Å |
| 250 | F | 63.4 | Low | 64.5 | Low | 174 Ų | 174 | 107.6 Ų | 107.6 | 76% | 0.763 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -15.7 | -175.8 | -100.2 | -91.1 | 0 | 0 | 0 | 114.2 | R246 H247 | R246-F250 PolarHBondContact O-N 2.89Å; H247-F250 CarbonylContact O-C 3.58Å; H247-F250 PolarHBondContact O-N 3.44Å |
| 251 | H | 55.8 | Low | 62.1 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 38% | 0.375 | 58% | 0.584 | S | S | . | * | trans | -138.5 | 64.4 | -159.1 | -162.9 | -96.7 | 0 | 0 | 0 | 113.1 | H247 G253 M254 | H247-H251 WeakPolarHBondContact O-CA 3.1Å; H247-H251 WeakPolarHBondContact O-CB 3.39Å; H247-H251 PolarHBondContact O-N 3.01Å; H251-G253 PolarHBondContact O-N 2.85Å; H251-M254 PolarHBondContact CE1-O 3.16Å | ||
| 252 | P | 49.8 | Very low | 60.1 | Low | 130 Ų | 130 | 115.9 Ų | 115.9 | 84% | 0.844 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -76.8 | 6.6 | -178.5 | 33.7 | -37.7 | 0 | 0 | 0 | 114.5 | ||
| 253 | G | 55.3 | Low | 58.1 | Low | 65 Ų | 65 | 120.4 Ų | 120.4 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -156.1 | 16 | -158.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | H251 | H251-G253 PolarHBondContact O-N 2.85Š|
| 254 | M | 47.3 | Very low | 56.3 | Low | 142 Ų | 142 | 125.7 Ų | 125.7 | 70% | 0.7 | 67% | 0.67 | S | S | * | * | trans | -126.8 | 88.1 | 165.5 | -69.4 | -155.5 | 79.4 | 0 | 0 | 113.5 | H251 | H251-M254 PolarHBondContact CE1-O 3.16Š| ||
| 255 | L | 52.4 | Low | 54 | Low | 162 Ų | 162 | 129.2 Ų | 129.2 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | -109.5 | 68.1 | 161.3 | -124.6 | 166 | 0 | 0 | 0 | 108.7 | ||||
| 256 | Q | 46.8 | Very low | 51.7 | Low | 149 Ų | 149 | 127.4 Ų | 127.4 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | trans | -166.3 | 111.9 | 153.4 | -156.6 | 65.5 | -14.8 | 0 | 0 | 113.9 | ||||
| 257 | R | 40.2 | Very low | 50.2 | Low | 237 Ų | 237 | 127.3 Ų | 127.3 | 89% | 0.894 | 73% | 0.727 | S | S | * | * | -172 | 114.3 | 121 | -107.8 | 176.5 | 173.9 | -84.5 | -1.6 | 112.4 | |||||
| 258 | R | 52.6 | Low | 48.6 | Very low | 245 Ų | 245 | 130 Ų | 130 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -77.1 | 123.7 | 164.4 | -177.8 | -176.7 | -178 | -142.5 | 4.8 | 108.3 | ||||
| 259 | G | 41 | Very low | 46.9 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -171.1 | 129.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 260 | G | 46.5 | Very low | 45.1 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 94% | 0.938 | 79% | 0.794 | S | S | * | * | trans | -79.1 | 152.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 261 | G | 34.2 | Very low | 44 | Very low | 67 Ų | 67 | 138.9 Ų | 138.9 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | 178.5 | 76 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R263 | G261-R263 PolarHBondContact O-N 2.97Š| ||
| 262 | S | 42.6 | Very low | 43.2 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -59.1 | 103 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 263 | R | 43.9 | Very low | 42.5 | Very low | 240 Ų | 240 | 145 Ų | 145 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -118.3 | 101.7 | 171.4 | -71.9 | -171.2 | 172.1 | -163 | -2.9 | 109.7 | G261 G265 | G261-R263 PolarHBondContact O-N 2.97Å; R263-G265 PolarHBondContact O-N 3.06Å | ||
| 264 | T | 46.4 | Very low | 41.4 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -69.7 | 80.5 | 169.7 | 46.9 | 0 | 0 | 0 | 0 | 109.8 | S266 | T264-S266 PolarHBondContact O-N 3.41Š| ||
| 265 | G | 35.1 | Very low | 40.8 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -59.8 | 117.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R263 | R263-G265 PolarHBondContact O-N 3.06Š| ||
| 266 | S | 36 | Very low | 39.9 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -68.8 | 161.5 | -174 | -163.3 | 0 | 0 | 0 | 0 | 112.8 | T264 S268 | T264-S266 PolarHBondContact O-N 3.41Å; S266-S268 PolarHBondContact O-N 2.64Å; S266-S268 VanDerWaalsContact O-N 3.09Å | ||
| 267 | L | 49.6 | Very low | 39.2 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -80.4 | 82.3 | 177.1 | -81 | 166.3 | 0 | 0 | 0 | 111.5 | ||
| 268 | S | 43.5 | Very low | 39.1 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | trans | -155.8 | 95.8 | 166.8 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | S266 | S266-S268 PolarHBondContact O-N 2.64Å; S266-S268 VanDerWaalsContact O-N 3.09Å | ||
| 269 | D | 34.7 | Very low | 38.2 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | 178.5 | 86.5 | 147.8 | -96 | -25.3 | 0 | 0 | 0 | 111.1 | ||||
| 270 | Y | 30.8 | Very low | 38 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -154.7 | 63.2 | 155.8 | -166.1 | -102.8 | 0 | 0 | 0 | 110.7 | ||||
| 271 | S | 38.7 | Very low | 37.7 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -136.6 | 57.6 | 177.4 | -67 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 272 | R | 39.5 | Very low | 38.1 | Very low | 239 Ų | 239 | 139.5 Ų | 139.5 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -170 | 111.8 | 154.5 | -113 | 164 | 174 | 160.7 | -2.7 | 112 | ||||
| 273 | S | 35.3 | Very low | 38.1 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | S | Bend | -165.4 | 116.2 | 125.9 | -122.1 | 0 | 0 | 0 | 0 | 109.1 | |||
| 274 | D | 32.9 | Very low | 37.9 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | 59.8 | 87.6 | 145.7 | -47.5 | -61.1 | 0 | 0 | 0 | 118.7 | ||||
| 275 | A | 34 | Very low | 37.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -79 | 119.9 | 148 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 276 | S | 32.7 | Very low | 38.5 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -155.9 | 89.2 | 163.9 | -79.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 277 | S | 33.2 | Very low | 38.7 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -122 | 116.9 | 165.7 | -65.8 | 0 | 0 | 0 | 0 | 107 | T279 | S277-T279 PolarHBondContact O-N 3.4Š| ||
| 278 | P | 38.5 | Very low | 38.1 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -69.1 | 132.1 | -179.9 | 28 | -33.4 | 0 | 0 | 0 | 110.3 | ||||
| 279 | T | 33.1 | Very low | 37.8 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 82% | 0.816 | 84% | 0.839 | S | S | * | * | trans | -75.3 | 125.7 | 171.4 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | S277 | S277-T279 PolarHBondContact O-N 3.4Š| ||
| 280 | I | 37.7 | Very low | 38 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 82% | 0.821 | 84% | 0.835 | S | S | * | * | trans | -113.9 | 111.4 | 163.1 | -59.6 | 177.3 | 0 | 0 | 0 | 106.7 | ||||
| 281 | S | 40.1 | Very low | 38.4 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 83% | 0.833 | S | S | * | * | trans | -84.1 | 146.1 | 173.6 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 282 | P | 42.4 | Very low | 38.4 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -72.5 | 141.9 | 172.3 | 31.1 | -34 | 0 | 0 | 0 | 110.9 | ||||
| 283 | A | 41.3 | Very low | 38.3 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -104.2 | 137.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 284 | S | 41.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -78.1 | 150.8 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 285 | S | 38.2 | Very low | 39 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 85% | 0.847 | S | S | * | * | trans | -60.7 | 161.8 | 161.7 | -46.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 286 | P | 55.7 | Low | 39.5 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 100% | 1.305 | 85% | 0.847 | S | S | * | * | -101.1 | 0 | 97.3 | 29 | -35.8 | 0 | 0 | 0 | 113 |
Retrieved 286 of 286 residues in 106.8 ms
(Link to these results)