| 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 | 41.9 | Very low | 48.3 | Very low | 246 Ų | 246 | 139.1 Ų | 139.1 | 100% | 1.212 | 82% | 0.82 | S | S | * | * | 0 | 118.2 | 0 | -70.5 | -79.1 | -177.6 | 0 | 0 | 106.7 | |||||
| 2 | A | 41.1 | Very low | 48.5 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | -19.8 | 150.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | A | 50 | Low | 48.1 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | cis | -156.8 | 138.7 | 16.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | A | 48.4 | Very low | 47.9 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -121.2 | 126.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 5 | A | 59.5 | Low | 47.8 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | 159.2 | 116.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | Y | 52.9 | Low | 48.1 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | -154.5 | 100.7 | 128.6 | -155.2 | -99.8 | 0 | 0 | 0 | 108 | |||||
| 7 | V | 50.4 | Low | 47.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -105.4 | 140.8 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 8 | D | 48.1 | Very low | 47.8 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | 11.4 | 123.6 | 162.2 | -60 | -69.8 | 0 | 0 | 0 | 121.2 | ||||
| 9 | H | 52.4 | Low | 47.8 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 65% | 0.648 | 81% | 0.809 | S | S | * | * | trans | -169.3 | 117 | 157.8 | -121.4 | -80.5 | 0 | 0 | 0 | 105.4 | ||||
| 10 | F | 40.7 | Very low | 47.9 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | -169.2 | 118.9 | 59.7 | -104.1 | -97.7 | 0 | 0 | 0 | 104.9 | |||||
| 11 | A | 46.5 | Very low | 47.8 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | 67.1 | 125 | 74.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 12 | A | 50.4 | Low | 47.9 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | 83.7 | 99.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 13 | E | 43.8 | Very low | 48.3 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | 48.7 | 120.4 | 116.5 | -59.9 | -175.6 | 134.7 | 0 | 0 | 119.9 | |||||
| 14 | C | 44 | Very low | 48.2 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -151.6 | 82.4 | 141.2 | -96.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 15 | L | 47.1 | Very low | 48.2 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -87.1 | 105.9 | 154.7 | -80.7 | 170.9 | 0 | 0 | 0 | 107.6 | ||||
| 16 | V | 51.8 | Low | 47.5 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | -142.8 | 115.1 | 166.9 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | S | 43.3 | Very low | 47.7 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | 58.7 | 118.3 | 139.5 | -149.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 18 | M | 48.3 | Very low | 47.6 | Very low | 174 Ų | 174 | 138 Ų | 138 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | -153.8 | 131.2 | 70.1 | -65.3 | -140.2 | 72.1 | 0 | 0 | 112.8 | |||||
| 19 | S | 48 | Very low | 47.7 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -75.4 | 147.6 | 168.4 | -43.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 20 | S | 48.5 | Very low | 47.7 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | -178.6 | 141.9 | 122.4 | -80 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 21 | R | 47 | Very low | 48.3 | Very low | 246 Ų | 246 | 132.3 Ų | 132.3 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -97.5 | 152.5 | -162.8 | -65.9 | 161.8 | 154 | 169.8 | -8.2 | 113 | ||||
| 22 | A | 44 | Very low | 48.3 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -179.7 | 104.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 23 | V | 49 | Very low | 48.2 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | 39 | 106.3 | 67.2 | -175.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 24 | V | 47.1 | Very low | 48.6 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | -166.5 | 140.6 | 112.7 | 171.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 25 | H | 49.4 | Very low | 49 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -51.1 | 153.7 | 178.1 | -58 | -97.8 | 0 | 0 | 0 | 115.1 | ||||
| 26 | G | 44.6 | Very low | 49 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | 153.8 | 178.1 | 74.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 27 | P | 57 | Low | 48.6 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -124.1 | -162.4 | -129 | 28.8 | -7.2 | 0 | 0 | 0 | 113.5 | |||||
| 28 | R | 48.6 | Very low | 48.3 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 75% | 0.751 | 80% | 0.8 | S | S | * | * | trans | 99.7 | 141.9 | 152.8 | -70.4 | -170.3 | 100.9 | 168.5 | -4.7 | 117.6 | ||||
| 29 | E | 51.1 | Low | 48 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | cis | -157.6 | 163.1 | -19.8 | -43.2 | -148.4 | 109.2 | 0 | 0 | 106.3 | ||||
| 30 | G | 51.6 | Low | 48 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 150.5 | 138.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 31 | P | 52.1 | Low | 47.3 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -122.1 | 167.3 | -135.6 | 36.9 | -20.5 | 0 | 0 | 0 | 115.9 | ||||
| 32 | E | 47.8 | Very low | 47 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 43 | 116.6 | 141.4 | -70.2 | -179 | 82.6 | 0 | 0 | 121.4 | ||||
| 33 | S | 49 | Very low | 47.1 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | -151 | 116.3 | 126.8 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 34 | R | 51.7 | Low | 47.1 | Very low | 232 Ų | 232 | 129 Ų | 129 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -94.5 | -173 | 178.3 | -153.7 | -157.5 | 150.4 | 136.8 | -5.8 | 109 | ||||
| 35 | P | 51.1 | Low | 46.8 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 60% | 0.597 | 79% | 0.787 | S | S | * | * | -110.9 | 162.4 | -101.9 | 40.4 | -26.1 | 0 | 0 | 0 | 112.7 | |||||
| 36 | E | 47.3 | Very low | 46.4 | Very low | 206 Ų | 206 | 127.4 Ų | 127.4 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | trans | -174 | 135.9 | 151.9 | -109.4 | 169.2 | 153 | 0 | 0 | 110.4 | ||||
| 37 | G | 43.1 | Very low | 46.2 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 141.3 | 65.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | A39 | G37-A39 PolarHBondContact O-N 3.49Š| ||
| 38 | A | 37.5 | Very low | 45.4 | Very low | 111 Ų | 111 | 135 Ų | 135 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -59.9 | 112.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 39 | A | 41.9 | Very low | 45 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -126.5 | 92.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | G37 | G37-A39 PolarHBondContact O-N 3.49Š| ||
| 40 | V | 47.9 | Very low | 44.4 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -17 | 129.5 | 157.5 | -92.4 | 0 | 0 | 0 | 0 | 114.6 | A42 | V40-A42 PolarHBondContact O-N 3.16Š| ||
| 41 | A | 34.5 | Very low | 43.6 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -50.7 | 101.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T43 | A41-T43 VanDerWaalsContact C-N 3.3Å; A41-T43 PolarHBondContact O-N 3.37Å | ||
| 42 | A | 40.9 | Very low | 43 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 89.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V40 | V40-A42 PolarHBondContact O-N 3.16Š| ||
| 43 | T | 46.1 | Very low | 42.7 | Very low | 110 Ų | 110 | 143 Ų | 143 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | trans | -49.2 | 130 | 160.1 | 38.1 | 0 | 0 | 0 | 0 | 108.7 | A41 T45 | A41-T43 VanDerWaalsContact C-N 3.3Å; A41-T43 PolarHBondContact O-N 3.37Å; T43-T45 VanDerWaalsContact C-N 3.33Å; T43-T45 PolarHBondContact O-N 2.98Å | ||
| 44 | P | 49.4 | Very low | 42.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -66 | 98.1 | 171.7 | 26.5 | -31.5 | 0 | 0 | 0 | 108.1 | L46 | P44-L46 VanDerWaalsContact C-N 3.29Å; P44-L46 PolarHBondContact O-N 3.14Å | ||
| 45 | T | 39.6 | Very low | 41.7 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -63.3 | 96.2 | 166.7 | -60.9 | 0 | 0 | 0 | 0 | 106.8 | T43 | T43-T45 VanDerWaalsContact C-N 3.33Å; T43-T45 PolarHBondContact O-N 2.98Å | ||
| 46 | L | 42.4 | Very low | 41.3 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -55.4 | 137.7 | 172.5 | -68.8 | 176.7 | 0 | 0 | 0 | 108.9 | P44 R48 | P44-L46 VanDerWaalsContact C-N 3.29Å; P44-L46 PolarHBondContact O-N 3.14Å; L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | P | 39.9 | Very low | 41.5 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -56.8 | 125.4 | 177.8 | 23.6 | -32.6 | 0 | 0 | 0 | 109 | V49 | P47-V49 PolarHBondContact O-N 2.79Š| ||
| 48 | R | 39 | Very low | 42.1 | Very low | 239 Ų | 239 | 134.5 Ų | 134.5 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 88.4 | 170.7 | -174.6 | 177 | 178.8 | 115.5 | -3.7 | 107.6 | L46 E50 | L46-R48 PolarHBondContact O-N 2.81Å; L46-R48 VanDerWaalsContact O-N 3.15Å; R48-E50 PolarHBondContact O-N 2.93Å; R48-E50 VanDerWaalsContact O-N 3.07Å | ||
| 49 | V | 41 | Very low | 43 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -66.6 | 106.6 | 172.4 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | P47 E51 | P47-V49 PolarHBondContact O-N 2.79Å; V49-E51 PolarHBondContact O-N 3.24Å; V49-E51 VanDerWaalsContact O-N 3.13Å | ||
| 50 | E | 38.5 | Very low | 43.9 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | trans | -60.7 | 114.3 | 168.9 | -82.1 | -168.5 | 88.7 | 0 | 0 | 109.4 | R48 R52 | R48-E50 PolarHBondContact O-N 2.93Å; R48-E50 VanDerWaalsContact O-N 3.07Å; E50-R52 PolarHBondContact O-N 3.49Å | ||
| 51 | E | 35.4 | Very low | 44.4 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | trans | -61.6 | 98.4 | 176.2 | -112.9 | -170 | 91.2 | 0 | 0 | 110.1 | V49 R53 | V49-E51 PolarHBondContact O-N 3.24Å; V49-E51 VanDerWaalsContact O-N 3.13Å; E51-R53 PolarHBondContact O-N 3.22Å | ||
| 52 | R | 39.2 | Very low | 45.9 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | trans | -71.5 | 101.8 | 158.7 | -78.6 | -144.5 | 178.6 | -90 | -5.4 | 108.5 | E50 D54 | E50-R52 PolarHBondContact O-N 3.49Å; R52-D54 VanDerWaalsContact C-N 3.27Å; R52-D54 PolarHBondContact O-N 3.25Å | ||
| 53 | R | 40.3 | Very low | 46.9 | Very low | 230 Ų | 230 | 127.1 Ų | 127.1 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | trans | -58.2 | 82.7 | 167 | -64.9 | 176 | -175.6 | 162.6 | 1.4 | 110.5 | E51 | E51-R53 PolarHBondContact O-N 3.22Š| ||
| 54 | D | 40.9 | Very low | 47.8 | Very low | 118 Ų | 118 | 123 Ų | 123 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | trans | -111.2 | 100.1 | 159.1 | -76.3 | -56.3 | 0 | 0 | 0 | 106.8 | R52 K56 R152 | R52-D54 VanDerWaalsContact C-N 3.27Å; R52-D54 PolarHBondContact O-N 3.25Å; D54-K56 PolarHBondContact O-N 3Å; D54-R152 IonicContact OD2-NH2 2.65Å | ||
| 55 | G | 39.7 | Very low | 48.9 | Very low | 80 Ų | 80 | 120 Ų | 120 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | trans | -67.7 | 108.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 56 | K | 43.3 | Very low | 50.3 | Low | 177 Ų | 177 | 121.2 Ų | 121.2 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -168.9 | 127.3 | 138.3 | -137.1 | 90.3 | 175.7 | -173.6 | 0 | 107.5 | D54 | D54-K56 PolarHBondContact O-N 3Š|
| 57 | D | 51.2 | Low | 51.5 | Low | 79 Ų | 79 | 115.2 Ų | 115.2 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | trans | 83.1 | 34.8 | 161.8 | -38.6 | -42.5 | 0 | 0 | 0 | 119.8 | A59 S60 L61 | D57-A59 VanDerWaalsContact C-N 3.3Å; D57-A59 PolarHBondContact O-N 3.38Å; D57-S60 WeakPolarHBondContact O-CB 3.48Å; D57-S60 PolarHBondContact O-N 3.04Å; D57-L61 PolarHBondContact O-N 3.34Å | ||
| 58 | S | 55.8 | Low | 53.1 | Low | 97 Ų | 97 | 113.1 Ų | 113.1 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.9 | -38.4 | 174.7 | 47.9 | 0 | 0 | 0 | 0 | 114.2 | S60 L61 F62 | S58-S60 VanDerWaalsContact C-N 3.31Å; S58-S60 PolarHBondContact O-N 2.69Å; S58-L61 PolarHBondContact O-N 2.88Å; S58-F62 PolarHBondContact O-N 3.08Å |
| 59 | A | 56.1 | Low | 54.6 | Low | 66 Ų | 66 | 104 Ų | 104 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.3 | -22.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D57 V63 | D57-A59 VanDerWaalsContact C-N 3.3Å; D57-A59 PolarHBondContact O-N 3.38Å; A59-V63 WeakPolarHBondContact O-CG2 3.35Å |
| 60 | S | 60.1 | Low | 55.7 | Low | 23 Ų | 23 | 102.1 Ų | 102.1 | 16% | 0.161 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -79.4 | -39.5 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | D57 S58 V64 R219 | D57-S60 WeakPolarHBondContact O-CB 3.48Å; D57-S60 PolarHBondContact O-N 3.04Å; S58-S60 VanDerWaalsContact C-N 3.31Å; S58-S60 PolarHBondContact O-N 2.69Å; S60-V64 WeakPolarHBondContact O-CG2 3.39Å; S60-V64 PolarHBondContact O-N 3.27Å; S60-V64 VanDerWaalsContact O-N 3.13Å; S60-R219 PolarHBondContact OG-NH1 3.48Å; S60-R219 PolarHBondContact OG-NH2 3.25Å |
| 61 | L | 60 | Low | 57.1 | Low | 121 Ų | 121 | 95.3 Ų | 95.3 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.2 | -38 | 176.9 | -71.4 | 175.5 | 0 | 0 | 0 | 112.1 | D57 S58 V64 A65 | D57-L61 PolarHBondContact O-N 3.34Å; S58-L61 PolarHBondContact O-N 2.88Å; L61-V64 PolarHBondContact O-N 2.7Å; L61-A65 VanDerWaalsContact O-CB 3.27Å; L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 2.84Å |
| 62 | F | 64.7 | Low | 58.7 | Low | 131 Ų | 131 | 93.6 Ų | 93.6 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 178.9 | -168.8 | -101.7 | 0 | 0 | 0 | 112.5 | S58 V64 A65 R66 | S58-F62 PolarHBondContact O-N 3.08Å; F62-V64 VanDerWaalsContact C-N 3.33Å; F62-V64 PolarHBondContact O-N 3.27Å; F62-A65 PolarHBondContact O-N 2.87Å; F62-R66 HydrophobicContact CD1-CG 4.49Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.22Å; F62-R66 PolarHBondContact O-N 3.02Å |
| 63 | V | 62.5 | Low | 59.9 | Low | 39 Ų | 39 | 91.6 Ų | 91.6 | 24% | 0.236 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 111 | A59 R66 I67 | A59-V63 WeakPolarHBondContact O-CG2 3.35Å; V63-R66 PolarHBondContact O-N 3.23Å; V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.46Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 3.25Å |
| 64 | V | 65.2 | Low | 60.6 | Low | 22 Ų | 22 | 86.5 Ų | 86.5 | 13% | 0.133 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 175.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | S60 L61 F62 R66 I67 L68 A215 | S60-V64 WeakPolarHBondContact O-CG2 3.39Å; S60-V64 PolarHBondContact O-N 3.27Å; S60-V64 VanDerWaalsContact O-N 3.13Å; L61-V64 PolarHBondContact O-N 2.7Å; F62-V64 VanDerWaalsContact C-N 3.33Å; F62-V64 PolarHBondContact O-N 3.27Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 2.89Å; V64-I67 PolarHBondContact O-N 3.35Å; V64-L68 HydrophobicContact CG1-CD1 3.69Å; V64-L68 HydrophobicContact CG1-CG 4Å; V64-L68 VanDerWaalsContact O-CB 3.32Å; V64-L68 WeakPolarHBondContact O-CB 3.45Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 2.97Å; V64-A215 HydrophobicContact CG1-CB 4.39Å; V64-A215 HydrophobicContact CG2-CB 4.28Å |
| 65 | A | 71 | Confident | 61.2 | Low | 55 Ų | 55 | 83.9 Ų | 83.9 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L61 F62 L68 A69 | L61-A65 VanDerWaalsContact O-CB 3.27Å; L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 2.84Å; F62-A65 PolarHBondContact O-N 2.87Å; A65-L68 PolarHBondContact O-N 3.23Å; A65-A69 WeakPolarHBondContact O-CB 3.11Å; A65-A69 PolarHBondContact O-N 3.45Å |
| 66 | R | 70.9 | Confident | 61.7 | Low | 156 Ų | 156 | 85.9 Ų | 85.9 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -49.7 | 173.7 | -67.3 | -168.5 | 82.8 | 114.6 | 1.6 | 112 | F62 V63 V64 L68 A69 D70 | F62-R66 HydrophobicContact CD1-CG 4.49Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.22Å; F62-R66 PolarHBondContact O-N 3.02Å; V63-R66 PolarHBondContact O-N 3.23Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 2.89Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.47Å; R66-A69 WeakPolarHBondContact O-CA 3.37Å; R66-A69 WeakPolarHBondContact O-CB 3.45Å; R66-A69 PolarHBondContact O-N 3.43Å; R66-D70 PolarHBondContact O-N 3.19Å; R66-D70 VanDerWaalsContact O-OD2 3.08Å |
| 67 | I | 66.9 | Low | 62.1 | Low | 18 Ų | 18 | 81.5 Ų | 81.5 | 9% | 0.092 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 177.4 | -65.4 | 164.7 | 0 | 0 | 0 | 110.9 | V63 V64 A69 D70 L71 A215 Y218 | V63-I67 HydrophobicContact CG1-CD1 3.78Å; V63-I67 HydrophobicContact CG1-CG1 4.46Å; V63-I67 VanDerWaalsContact O-CG1 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.31Å; V63-I67 PolarHBondContact O-N 3.25Å; V64-I67 PolarHBondContact O-N 3.35Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-D70 PolarHBondContact O-N 3.31Å; I67-L71 HydrophobicContact CG2-CD1 3.87Å; I67-L71 HydrophobicContact CG2-CG 4.36Å; I67-L71 WeakPolarHBondContact O-CB 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.37Å; I67-L71 PolarHBondContact O-N 3.42Å; I67-A215 HydrophobicContact CG2-CB 4.37Å; I67-Y218 HydrophobicContact CD1-CD1 3.68Å; I67-Y218 HydrophobicContact CD1-CE1 4.44Å; I67-Y218 HydrophobicContact CD1-CG 4.15Å; I67-Y218 HydrophobicContact CG1-CD1 4.23Å |
| 68 | L | 72.6 | Confident | 62.2 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 176.3 | -70.3 | 175.9 | 0 | 0 | 0 | 112 | V64 A65 R66 N72 | V64-L68 HydrophobicContact CG1-CD1 3.69Å; V64-L68 HydrophobicContact CG1-CG 4Å; V64-L68 VanDerWaalsContact O-CB 3.32Å; V64-L68 WeakPolarHBondContact O-CB 3.45Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 2.97Å; A65-L68 PolarHBondContact O-N 3.23Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.47Å; L68-N72 VanDerWaalsContact O-CB 3.31Å; L68-N72 WeakPolarHBondContact O-CB 3.47Å; L68-N72 PolarHBondContact O-N 3.46Å |
| 69 | A | 71.6 | Confident | 61.9 | Low | 47 Ų | 47 | 83.4 Ų | 83.4 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A65 R66 I67 L71 N72 Q73 | A65-A69 WeakPolarHBondContact O-CB 3.11Å; A65-A69 PolarHBondContact O-N 3.45Å; R66-A69 WeakPolarHBondContact O-CA 3.37Å; R66-A69 WeakPolarHBondContact O-CB 3.45Å; R66-A69 PolarHBondContact O-N 3.43Å; I67-A69 VanDerWaalsContact C-N 3.34Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.09Å; A69-N72 PolarHBondContact O-N 3.12Å; A69-Q73 WeakPolarHBondContact O-CG 3.48Å; A69-Q73 PolarHBondContact O-N 3.09Å; A69-Q73 VanDerWaalsContact O-N 3.12Å |
| 70 | D | 64.8 | Low | 61.6 | Low | 84 Ų | 84 | 85.8 Ų | 85.8 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176 | -69.8 | -51.2 | 0 | 0 | 0 | 111.6 | R66 I67 Q73 Q74 | R66-D70 PolarHBondContact O-N 3.19Å; R66-D70 VanDerWaalsContact O-OD2 3.08Å; I67-D70 PolarHBondContact O-N 3.31Å; D70-Q73 PolarHBondContact O-N 2.88Å; D70-Q74 PolarHBondContact O-N 2.69Å |
| 71 | L | 66 | Low | 61.3 | Low | 31 Ų | 31 | 89.7 Ų | 89.7 | 16% | 0.162 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 175.4 | -69.4 | 169.4 | 0 | 0 | 0 | 112.8 | I67 A69 Q73 Q74 L214 | I67-L71 HydrophobicContact CG2-CD1 3.87Å; I67-L71 HydrophobicContact CG2-CG 4.36Å; I67-L71 WeakPolarHBondContact O-CB 3.28Å; I67-L71 WeakPolarHBondContact O-CG 3.37Å; I67-L71 PolarHBondContact O-N 3.42Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.09Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.42Å; L71-Q74 PolarHBondContact O-N 2.95Å; L71-L214 HydrophobicContact CD1-CD2 3.57Å; L71-L214 HydrophobicContact CD1-CG 4.31Å; L71-L214 HydrophobicContact CD2-CD2 3.54Å; L71-L214 HydrophobicContact CG-CD2 4.2Å |
| 72 | N | 70.1 | Confident | 60.6 | Low | 131 Ų | 131 | 92.8 Ų | 92.8 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.6 | -28.4 | 176.7 | -167.3 | 60.8 | 0 | 0 | 0 | 111.9 | L68 A69 Q74 | L68-N72 VanDerWaalsContact O-CB 3.31Å; L68-N72 WeakPolarHBondContact O-CB 3.47Å; L68-N72 PolarHBondContact O-N 3.46Å; A69-N72 PolarHBondContact O-N 3.12Å; N72-Q74 VanDerWaalsContact C-N 3.28Å; N72-Q74 PolarHBondContact O-N 3.22Å |
| 73 | Q | 63.9 | Low | 59.9 | Low | 155 Ų | 155 | 97 Ų | 97 | 72% | 0.724 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.1 | -16.4 | 173.9 | -69.3 | 178.2 | 18.3 | 0 | 0 | 113.5 | A69 D70 L71 | A69-Q73 WeakPolarHBondContact O-CG 3.48Å; A69-Q73 PolarHBondContact O-N 3.09Å; A69-Q73 VanDerWaalsContact O-N 3.12Å; D70-Q73 PolarHBondContact O-N 2.88Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.42Å |
| 74 | Q | 56.6 | Low | 59.3 | Low | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 2.3 | 178 | -68.9 | 172.1 | 19.6 | 0 | 0 | 113.5 | D70 L71 N72 P76 | D70-Q74 PolarHBondContact O-N 2.69Å; L71-Q74 PolarHBondContact O-N 2.95Å; N72-Q74 VanDerWaalsContact C-N 3.28Å; N72-Q74 PolarHBondContact O-N 3.22Å; Q74-P76 VanDerWaalsContact O-CD 3.3Å; Q74-P76 WeakPolarHBondContact O-CD 3.49Å |
| 75 | A | 53.5 | Low | 58.4 | Low | 63 Ų | 63 | 114.3 Ų | 114.3 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -68.8 | 117.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A77 | A75-A77 PolarHBondContact O-N 3.42Š|
| 76 | P | 49.5 | Very low | 57.1 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 79% | 0.786 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 130.3 | 173.1 | 25.9 | -32.4 | 0 | 0 | 0 | 108.1 | Q74 | Q74-P76 VanDerWaalsContact O-CD 3.3Å; Q74-P76 WeakPolarHBondContact O-CD 3.49Å |
| 77 | A | 51.6 | Low | 55.8 | Low | 86 Ų | 86 | 113 Ų | 113 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 141.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A75 A79 | A75-A77 PolarHBondContact O-N 3.42Å; A77-A79 PolarHBondContact O-N 2.89Å; A77-A79 VanDerWaalsContact O-N 3.12Å |
| 78 | P | 52.7 | Low | 54.8 | Low | 126 Ų | 126 | 116.8 Ų | 116.8 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 124.1 | 176.9 | 24.4 | -32.8 | 0 | 0 | 0 | 108.7 | ||
| 79 | A | 49.2 | Very low | 53.5 | Low | 90 Ų | 90 | 117.9 Ų | 117.9 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 139.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A77 A81 | A77-A79 PolarHBondContact O-N 2.89Å; A77-A79 VanDerWaalsContact O-N 3.12Å; A79-A81 PolarHBondContact O-N 3.04Å |
| 80 | P | 51.5 | Low | 52.5 | Low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 134.8 | 176.6 | 25.4 | -32.8 | 0 | 0 | 0 | 109.8 | E82 | P80-E82 PolarHBondContact O-N 3.24Š|
| 81 | A | 52.1 | Low | 51.9 | Low | 104 Ų | 104 | 133.3 Ų | 133.3 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -65.4 | 99.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A79 R83 | A79-A81 PolarHBondContact O-N 3.04Å; A81-R83 PolarHBondContact O-N 3.26Å | ||
| 82 | E | 46.6 | Very low | 50.9 | Low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -69.9 | 117.9 | 172.6 | -74.3 | -142 | 107.1 | 0 | 0 | 110.8 | P80 R84 | P80-E82 PolarHBondContact O-N 3.24Å; E82-R84 PolarHBondContact O-N 3.26Å | ||
| 83 | R | 49.3 | Very low | 50.1 | Low | 221 Ų | 221 | 141.8 Ų | 141.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -71.2 | 105.2 | 174.6 | -160.2 | 178.5 | -159.5 | -114.4 | 5.6 | 108.5 | A81 E85 | A81-R83 PolarHBondContact O-N 3.26Å; R83-E85 PolarHBondContact O-N 3.46Å | ||
| 84 | R | 50.9 | Low | 49.8 | Very low | 249 Ų | 249 | 140.7 Ų | 140.7 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -76 | 104.3 | 173.8 | -77.9 | -177.4 | 165.2 | -178.7 | -3.9 | 110.6 | E82 | E82-R84 PolarHBondContact O-N 3.26Š| ||
| 85 | E | 45.9 | Very low | 49.6 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -81.4 | 126 | 155.8 | -84.5 | 178.9 | 82.2 | 0 | 0 | 109.4 | R83 | R83-E85 PolarHBondContact O-N 3.46Š| ||
| 86 | G | 43 | Very low | 49 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | -94.7 | 136.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 87 | A | 44.9 | Very low | 48.8 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -152.2 | 101.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 88 | A | 43.9 | Very low | 48.8 | Very low | 97 Ų | 97 | 153.1 Ų | 153.1 | 80% | 0.802 | 84% | 0.837 | S | S | * | * | trans | 35.2 | 121.1 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 89 | A | 45.9 | Very low | 49.4 | Very low | 86 Ų | 86 | 152.6 Ų | 152.6 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | 67 | 117.7 | 126.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 90 | R | 51.8 | Low | 49.8 | Very low | 246 Ų | 246 | 153.9 Ų | 153.9 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | -179.4 | 149.2 | 100.8 | -91.9 | 158.7 | -178.1 | -84.7 | -0.9 | 111.8 | |||||
| 91 | K | 50.9 | Low | 50.4 | Low | 209 Ų | 209 | 154.4 Ų | 154.4 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -80.4 | 162.5 | -169 | -69.3 | 171.4 | 173.2 | 179.3 | 0 | 113.2 | ||||
| 92 | A | 45.2 | Very low | 50.3 | Low | 91 Ų | 91 | 154.2 Ų | 154.2 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | trans | 94.1 | 104.8 | 147.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 93 | R | 53.3 | Low | 51 | Low | 250 Ų | 250 | 151.4 Ų | 151.4 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | 171.7 | 109.1 | 103.1 | -96.7 | 179.6 | -179.1 | -125.8 | 1.1 | 110.6 | |||||
| 94 | T | 57.9 | Low | 50.9 | Low | 132 Ų | 132 | 149.9 Ų | 149.9 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -78.6 | 177.1 | 151.6 | 5.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 95 | P | 53 | Low | 50.5 | Low | 107 Ų | 107 | 143.5 Ų | 143.5 | 70% | 0.695 | 83% | 0.828 | S | S | * | * | cis | -137.1 | 175.8 | -19.5 | 34.1 | -15.2 | 0 | 0 | 0 | 112.8 | ||||
| 96 | C | 39.9 | Very low | 50.4 | Low | 135 Ų | 135 | 141.9 Ų | 141.9 | 91% | 0.912 | 83% | 0.83 | S | S | * | * | trans | -150.6 | 124.6 | 143.4 | -98.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 97 | R | 45.5 | Very low | 50.4 | Low | 243 Ų | 243 | 143.2 Ų | 143.2 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -73.8 | 142.9 | 179.4 | -80.2 | 175.7 | 160.4 | -138.2 | -1 | 110.9 | ||||
| 98 | L | 52.3 | Low | 50.2 | Low | 168 Ų | 168 | 145.1 Ų | 145.1 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | trans | -129.6 | 138.3 | 146.9 | -91.1 | 123.9 | 0 | 0 | 0 | 108.8 | ||||
| 99 | P | 63.9 | Low | 50 | Low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 155.4 | -178.3 | 31.3 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 100 | P | 57.9 | Low | 49.6 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87 | 155.9 | -175.1 | 35.3 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 101 | P | 64.2 | Low | 48.8 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 147 | 165.4 | 32.1 | -31.9 | 0 | 0 | 0 | 112.5 | ||
| 102 | A | 50.7 | Low | 48.1 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 142.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 103 | P | 60.2 | Low | 47.6 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 132.6 | 164.7 | 32.7 | -29 | 0 | 0 | 0 | 112.7 | ||
| 104 | E | 48.5 | Very low | 46.9 | Very low | 189 Ų | 189 | 129 Ų | 129 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 155.1 | 172.2 | -66.4 | -174.1 | 107.6 | 0 | 0 | 112.5 | ||
| 105 | P | 41.6 | Very low | 46 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 136.5 | -171.9 | 35.3 | -30.4 | 0 | 0 | 0 | 112.2 | ||
| 106 | T | 44.9 | Very low | 45.5 | Very low | 140 Ų | 140 | 127 Ų | 127 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | trans | -170.1 | 131.7 | 148.9 | 12.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 107 | S | 42.4 | Very low | 46.3 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | 82 | 119.1 | 159.3 | -60.5 | 0 | 0 | 0 | 0 | 119.6 | G109 | S107-G109 PolarHBondContact O-N 3.45Š| ||
| 108 | P | 40.7 | Very low | 46.6 | Very low | 141 Ų | 141 | 120 Ų | 120 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -79.1 | 115.9 | 178.6 | 32.2 | -30.7 | 0 | 0 | 0 | 110.3 | ||||
| 109 | G | 40.2 | Very low | 46.6 | Very low | 59 Ų | 59 | 117.3 Ų | 117.3 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | -142.8 | 90 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S107 | S107-G109 PolarHBondContact O-N 3.45Š| ||
| 110 | A | 35.9 | Very low | 46 | Very low | 107 Ų | 107 | 116.4 Ų | 116.4 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | 56 | 62.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 111 | E | 36.3 | Very low | 44.9 | Very low | 187 Ų | 187 | 115.5 Ų | 115.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -137.2 | 101.2 | 168.6 | -46.7 | -156.8 | 115.1 | 0 | 0 | 111.8 | ||||
| 112 | G | 35.2 | Very low | 43.5 | Very low | 83 Ų | 83 | 120 Ų | 120 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -105.1 | 79.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | A114 | G112-A114 PolarHBondContact O-N 3.16Š| ||
| 113 | A | 36 | Very low | 42.9 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -77 | 93.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 114 | A | 38.3 | Very low | 42.2 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -100.7 | 126.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | G112 | G112-A114 PolarHBondContact O-N 3.16Š| ||
| 115 | A | 39 | Very low | 42.1 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -39.7 | 132.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P117 | A115-P117 WeakPolarHBondContact O-CD 3.5Š| ||
| 116 | A | 42.2 | Very low | 42.4 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 117 | P | 55.7 | Low | 42.7 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 146.4 | 164 | 30 | -32.1 | 0 | 0 | 0 | 109.7 | A115 S119 | A115-P117 WeakPolarHBondContact O-CD 3.5Å; P117-S119 PolarHBondContact O-N 3.16Å |
| 118 | P | 51.8 | Low | 42.9 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.2 | 178.1 | 25.7 | -33.3 | 0 | 0 | 0 | 110.8 | ||
| 119 | S | 53.3 | Low | 43.1 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 127 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | P117 A121 | P117-S119 PolarHBondContact O-N 3.16Å; S119-A121 PolarHBondContact O-N 3.46Å |
| 120 | P | 50.3 | Low | 43.2 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 62% | 0.623 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 119.8 | 165.5 | 25.4 | -29.3 | 0 | 0 | 0 | 108.5 | W122 | P120-W122 PolarHBondContact O-N 2.76Å; P120-W122 VanDerWaalsContact O-N 3.16Å |
| 121 | A | 35.4 | Very low | 43.5 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -69 | 103 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | S119 S123 | S119-A121 PolarHBondContact O-N 3.46Å; A121-S123 PolarHBondContact O-N 3.46Å | ||
| 122 | W | 34.4 | Very low | 44.1 | Very low | 220 Ų | 220 | 127.4 Ų | 127.4 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -85.9 | 106.1 | 169.8 | -65 | 75.3 | 0 | 0 | 0 | 106.8 | P120 E124 | P120-W122 PolarHBondContact O-N 2.76Å; P120-W122 VanDerWaalsContact O-N 3.16Å; W122-E124 PolarHBondContact O-N 2.61Å | ||
| 123 | S | 38.8 | Very low | 44.8 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.8 | 169.7 | -51.4 | 0 | 0 | 0 | 0 | 109.2 | A121 | A121-S123 PolarHBondContact O-N 3.46Š|
| 124 | E | 44.8 | Very low | 45.2 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 127.4 | 166.2 | -105.4 | 167.9 | 81.8 | 0 | 0 | 109 | W122 E126 | W122-E124 PolarHBondContact O-N 2.61Å; E124-E126 PolarHBondContact O-N 2.83Å |
| 125 | P | 46.5 | Very low | 45.6 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71 | 116 | 163.3 | 27.1 | -28.5 | 0 | 0 | 0 | 108.2 | ||
| 126 | E | 48.6 | Very low | 46 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 133.2 | 171.5 | -66.9 | -166 | 101.9 | 0 | 0 | 110.1 | E124 E128 | E124-E126 PolarHBondContact O-N 2.83Å; E126-E128 PolarHBondContact O-N 2.84Å; E126-E128 VanDerWaalsContact O-N 3.15Å |
| 127 | P | 50.2 | Low | 46.6 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -73.2 | 105.8 | 170.6 | 28.5 | -30.2 | 0 | 0 | 0 | 108.8 | A129 | P127-A129 PolarHBondContact O-N 3.22Š| ||
| 128 | E | 47.8 | Very low | 47 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -59.7 | 122.9 | 174.2 | -56.3 | -153.5 | 113.5 | 0 | 0 | 110.2 | E126 G130 | E126-E128 PolarHBondContact O-N 2.84Å; E126-E128 VanDerWaalsContact O-N 3.15Å; E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.32Å | ||
| 129 | A | 43.5 | Very low | 46.8 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -67.8 | 87.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P127 | P127-A129 PolarHBondContact O-N 3.22Š| ||
| 130 | G | 43 | Very low | 46.3 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -86.3 | 109.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | E128 E132 | E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.32Å; G130-E132 PolarHBondContact O-N 2.86Å | ||
| 131 | L | 43.1 | Very low | 46.1 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -51.2 | 114.4 | 170.5 | -66.6 | 111.9 | 0 | 0 | 0 | 111 | ||||
| 132 | E | 47.3 | Very low | 46.4 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 128 | 162.2 | -76.9 | -123.5 | 99.1 | 0 | 0 | 109.1 | G130 | G130-E132 PolarHBondContact O-N 2.86Š|
| 133 | P | 50.8 | Low | 47.2 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71 | 130.6 | 178.5 | 27.5 | -31.1 | 0 | 0 | 0 | 110.6 | R135 | P133-R135 PolarHBondContact O-N 3.16Š|
| 134 | E | 43.5 | Very low | 47.5 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 117 | 176.6 | -57.7 | -167.1 | 97.4 | 0 | 0 | 110.3 | ||
| 135 | R | 47.4 | Very low | 48 | Very low | 239 Ų | 239 | 136.7 Ų | 136.7 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -108.4 | 101.6 | 172.7 | -166.8 | 174 | -173.2 | 157.7 | 3.1 | 109 | P133 | P133-R135 PolarHBondContact O-N 3.16Š| ||
| 136 | E | 48.7 | Very low | 48.1 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | -44.8 | 132.8 | 173.8 | -68.3 | -77.5 | 93.7 | 0 | 0 | 112.8 | G138 | E136-G138 PolarHBondContact O-N 3.22Š| ||
| 137 | P | 54 | Low | 48.4 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -78.5 | 110.9 | 172.9 | 28.8 | -28.8 | 0 | 0 | 0 | 110.9 | ||||
| 138 | G | 62.9 | Low | 48.6 | Very low | 64 Ų | 64 | 138.9 Ų | 138.9 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | -69.9 | 162.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | E136 | E136-G138 PolarHBondContact O-N 3.22Š| ||
| 139 | P | 47.9 | Very low | 49 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -74 | 150.8 | -162.8 | 29.3 | -34.8 | 0 | 0 | 0 | 114.3 | G141 | P139-G141 PolarHBondContact O-N 3.44Š| ||
| 140 | A | 43 | Very low | 49.6 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -59.4 | 100.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 141 | G | 47.6 | Very low | 50.5 | Low | 75 Ų | 75 | 146.4 Ų | 146.4 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -81.7 | 110.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P139 G143 | P139-G141 PolarHBondContact O-N 3.44Å; G141-G143 PolarHBondContact O-N 2.75Å | ||
| 142 | S | 41.2 | Very low | 51.4 | Low | 129 Ų | 129 | 147.1 Ų | 147.1 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -62.6 | 105.9 | 167.8 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 143 | G | 50.6 | Low | 52.1 | Low | 66 Ų | 66 | 150 Ų | 150 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -146.5 | 120.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G141 | G141-G143 PolarHBondContact O-N 2.75Š| ||
| 144 | E | 45.4 | Very low | 52.5 | Low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -48.8 | 132.7 | -175.8 | -75 | 179.8 | 75.5 | 0 | 0 | 113.3 | G146 | E144-G146 PolarHBondContact O-N 3.42Š| ||
| 145 | P | 55 | Low | 53.3 | Low | 131 Ų | 131 | 146.1 Ų | 146.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -78.4 | 90.1 | 176.6 | 29.8 | -29.8 | 0 | 0 | 0 | 109.9 | L147 | P145-L147 PolarHBondContact O-N 3Š| ||
| 146 | G | 49.7 | Very low | 53.8 | Low | 62 Ų | 62 | 137.9 Ų | 137.9 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -54.1 | 123.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E144 R148 | E144-G146 PolarHBondContact O-N 3.42Å; G146-R148 VanDerWaalsContact C-N 3.26Å; G146-R148 PolarHBondContact O-N 2.65Å | ||
| 147 | L | 54.7 | Low | 54.3 | Low | 172 Ų | 172 | 140.2 Ų | 140.2 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -55.2 | 79.6 | 179.5 | -112.3 | 164 | 0 | 0 | 0 | 111.7 | P145 Q149 | P145-L147 PolarHBondContact O-N 3Å; L147-Q149 PolarHBondContact O-N 3.21Å; L147-Q149 VanDerWaalsContact O-N 3.09Å | ||
| 148 | R | 52.9 | Low | 54.5 | Low | 234 Ų | 234 | 137.8 Ų | 137.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -76.3 | 99.7 | 170.1 | -74.2 | -171.3 | 151.3 | -112.1 | -5.9 | 107.9 | G146 R150 | G146-R148 VanDerWaalsContact C-N 3.26Å; G146-R148 PolarHBondContact O-N 2.65Å; R148-R150 PolarHBondContact O-N 2.86Å | ||
| 149 | Q | 57.9 | Low | 54.2 | Low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -50.6 | 108 | 164.2 | -77.3 | 174.1 | 3.8 | 0 | 0 | 108 | L147 V151 | L147-Q149 PolarHBondContact O-N 3.21Å; L147-Q149 VanDerWaalsContact O-N 3.09Å; Q149-V151 PolarHBondContact O-N 3.2Å | ||
| 150 | R | 55.4 | Low | 54.6 | Low | 223 Ų | 223 | 137.9 Ų | 137.9 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | -65.5 | 95.5 | 164.1 | -77.3 | -173.3 | -155.5 | -102.4 | 0.8 | 106.3 | R148 R152 | R148-R150 PolarHBondContact O-N 2.86Å; R150-R152 PolarHBondContact O-N 3.39Å | ||
| 151 | V | 62.5 | Low | 55.3 | Low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -54.5 | 111.1 | 159.3 | 176.5 | 0 | 0 | 0 | 0 | 105.4 | Q149 R153 | Q149-V151 PolarHBondContact O-N 3.2Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.32Å | ||
| 152 | R | 60.3 | Low | 55.6 | Low | 190 Ų | 190 | 139.2 Ų | 139.2 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | -60.6 | 102.3 | 170.5 | -70.1 | -159.1 | -177.5 | -155.8 | 7.3 | 105.4 | D54 R150 G154 | D54-R152 IonicContact OD2-NH2 2.65Å; R150-R152 PolarHBondContact O-N 3.39Å; R152-G154 PolarHBondContact O-N 3.49Å | ||
| 153 | R | 63.1 | Low | 56.6 | Low | 239 Ų | 239 | 138.8 Ų | 138.8 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -57.1 | 107.8 | 169.2 | -75.5 | -173.3 | -177.7 | -129 | 1.7 | 105.5 | V151 R155 | V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.32Å; R153-R155 PolarHBondContact O-N 3.43Å | ||
| 154 | G | 59.6 | Low | 57.1 | Low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | -53.2 | 128.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | R152 S156 | R152-G154 PolarHBondContact O-N 3.49Å; G154-S156 PolarHBondContact O-N 3.46Å | ||
| 155 | R | 59.8 | Low | 57.5 | Low | 159 Ų | 159 | 144.4 Ų | 144.4 | 60% | 0.6 | 71% | 0.713 | S | S | * | * | trans | -61.3 | 108.3 | 176.6 | -153.7 | 167.7 | -163.6 | -101.5 | -16 | 106.5 | R153 D159 | R153-R155 PolarHBondContact O-N 3.43Å; R155-D159 HydrophobicContact CG-CB 4.01Å; R155-D159 IonicContact CZ-OD1 3.35Å; R155-D159 IonicContact NE-OD1 3.51Å; R155-D159 IonicContact NH2-OD1 2.82Å; R155-D159 PolarHBondContact NH2-OD1 3.41Å | ||
| 156 | S | 58.6 | Low | 58.2 | Low | 66 Ų | 66 | 145.5 Ų | 145.5 | 46% | 0.462 | 71% | 0.705 | S | S | . | * | trans | -62.9 | 151.9 | -177.6 | 72.9 | 0 | 0 | 0 | 0 | 109.2 | G154 A158 D159 | G154-S156 PolarHBondContact O-N 3.46Å; S156-A158 PolarHBondContact O-N 3.45Å; S156-A158 VanDerWaalsContact O-N 3.12Å; S156-D159 WeakPolarHBondContact O-CB 3.48Å; S156-D159 PolarHBondContact O-N 3.24Å | ||
| 157 | R | 59.1 | Low | 59.4 | Low | 213 Ų | 213 | 145.4 Ų | 145.4 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -50 | -36.8 | 175.1 | -110.3 | 175.9 | 164.7 | 164.2 | -6 | 111.7 | D159 L160 E161 | R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 PolarHBondContact O-N 3.47Å; R157-L160 WeakPolarHBondContact O-CB 3.4Å; R157-L160 PolarHBondContact O-N 2.94Å; R157-L160 VanDerWaalsContact O-N 3.16Å; R157-E161 PolarHBondContact O-N 3.49Å |
| 158 | A | 57.3 | Low | 60.7 | Low | 72 Ų | 72 | 142.9 Ų | 142.9 | 60% | 0.595 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.5 | -29 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S156 L160 E161 S162 | S156-A158 PolarHBondContact O-N 3.45Å; S156-A158 VanDerWaalsContact O-N 3.12Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-E161 PolarHBondContact O-N 2.98Å; A158-S162 PolarHBondContact O-N 3.35Å |
| 159 | D | 56.6 | Low | 62.2 | Low | 82 Ų | 82 | 132.2 Ų | 132.2 | 44% | 0.439 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.5 | -19.4 | 177.5 | -147.1 | -84.2 | 0 | 0 | 0 | 112.2 | R155 S156 R157 | R155-D159 HydrophobicContact CG-CB 4.01Å; R155-D159 IonicContact CZ-OD1 3.35Å; R155-D159 IonicContact NE-OD1 3.51Å; R155-D159 IonicContact NH2-OD1 2.82Å; R155-D159 PolarHBondContact NH2-OD1 3.41Å; S156-D159 WeakPolarHBondContact O-CB 3.48Å; S156-D159 PolarHBondContact O-N 3.24Å; R157-D159 VanDerWaalsContact C-N 3.34Å; R157-D159 PolarHBondContact O-N 3.47Å |
| 160 | L | 57.1 | Low | 63.2 | Low | 119 Ų | 119 | 132 Ų | 132 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.3 | -23.4 | 171.3 | -72.8 | 158.1 | 0 | 0 | 0 | 112.3 | R157 A158 | R157-L160 WeakPolarHBondContact O-CB 3.4Å; R157-L160 PolarHBondContact O-N 2.94Å; R157-L160 VanDerWaalsContact O-N 3.16Å; A158-L160 VanDerWaalsContact C-N 3.31Å |
| 161 | E | 56.2 | Low | 64.4 | Low | 150 Ų | 150 | 127.2 Ų | 127.2 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -91.8 | -1 | 176.3 | -81.5 | 154.6 | 77.5 | 0 | 0 | 113.4 | R157 A158 | R157-E161 PolarHBondContact O-N 3.49Å; A158-E161 PolarHBondContact O-N 2.98Å |
| 162 | S | 55.6 | Low | 65.3 | Low | 61 Ų | 61 | 126 Ų | 126 | 43% | 0.427 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -60.2 | 128.5 | 173.2 | -165.1 | 0 | 0 | 0 | 0 | 110.1 | A158 Q164 | A158-S162 PolarHBondContact O-N 3.35Å; S162-Q164 PolarHBondContact O-N 3.46Å |
| 163 | P | 61.4 | Low | 66.2 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 79% | 0.786 | 63% | 0.626 | S | S | * | * | trans | -73.3 | 50.6 | -179.9 | 30.6 | -34.8 | 0 | 0 | 0 | 112 | R165 | P163-R165 PolarHBondContact O-N 2.72Š| ||
| 164 | Q | 60.3 | Low | 67 | Low | 157 Ų | 157 | 110.9 Ų | 110.9 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | trans | -62.6 | 87.8 | 166.3 | -71.2 | -99.1 | -30.3 | 0 | 0 | 107.3 | S162 K166 | S162-Q164 PolarHBondContact O-N 3.46Å; Q164-K166 PolarHBondContact O-N 2.85Å | ||
| 165 | R | 54.2 | Low | 68 | Low | 218 Ų | 218 | 116.5 Ų | 116.5 | 82% | 0.823 | 60% | 0.597 | S | S | * | * | trans | -1.2 | 88.2 | 174.5 | -64.7 | 176.7 | 178.7 | -106.8 | 1.4 | 113.3 | P163 H167 | P163-R165 PolarHBondContact O-N 2.72Å; R165-H167 PolarHBondContact O-CD2 3.17Å; R165-H167 PolarHBondContact O-N 3.29Å | ||
| 166 | K | 70.9 | Confident | 69.1 | Low | 154 Ų | 154 | 114.4 Ų | 114.4 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | trans | -52.7 | 123.6 | 168.6 | -68.6 | 177 | -176.8 | 178.1 | 0 | 108.9 | Q164 K168 V177 | Q164-K166 PolarHBondContact O-N 2.85Å; K166-K168 PolarHBondContact O-N 2.8Å; K166-V177 HydrophobicContact CB-CG1 3.51Å; K166-V177 HydrophobicContact CD-CG1 4.12Å; K166-V177 HydrophobicContact CG-CG1 4.16Å | ||
| 167 | H | 74.8 | Confident | 70.3 | Confident | 60 Ų | 60 | 114.8 Ų | 114.8 | 28% | 0.278 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 97.9 | -179.8 | -63.8 | -78.4 | 0 | 0 | 0 | 109.5 | R165 Y178 S181 L184 | R165-H167 PolarHBondContact O-CD2 3.17Å; R165-H167 PolarHBondContact O-N 3.29Å; H167-Y178 WeakPolarHBondContact CB-O 3.47Å; H167-Y178 PolarHBondContact N-O 3.45Å; H167-Y178 PolarHBondContact O-N 2.7Å; H167-S181 VanDerWaalsContact CD2-CA 3.49Å; H167-S181 WeakPolarHBondContact CD2-CA 3.41Å; H167-S181 PolarHBondContact CD2-N 3.25Å; H167-S181 VanDerWaalsContact CE1-CB 3.43Å; H167-S181 WeakPolarHBondContact CE1-CB 3.35Å; H167-S181 WeakPolarHBondContact NE2-CB 3.46Å; H167-S181 PolarHBondContact NE2-N 2.88Å; H167-S181 VanDerWaalsContact NE2-N 3.16Å; H167-L184 HydrophobicContact CB-CB 3.69Å; H167-L184 HydrophobicContact CB-CD2 3.66Å; H167-L184 HydrophobicContact CB-CG 4.23Å |
| 168 | K | 81.3 | Confident | 71.3 | Confident | 118 Ų | 118 | 107 Ų | 107 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 143.1 | -177.2 | -55.5 | -176.9 | -179.8 | -179.7 | 0 | 110.6 | K166 H170 V177 L184 | K166-K168 PolarHBondContact O-N 2.8Å; K168-H170 PolarHBondContact O-CD2 3.23Å; K168-V177 HydrophobicContact CB-CG2 4.44Å; K168-V177 HydrophobicContact CG-CG1 4.04Å; K168-V177 HydrophobicContact CG-CG2 3.93Å; K168-L184 WeakPolarHBondContact O-CD2 3.47Å |
| 169 | C | 84 | Confident | 72.4 | Confident | 11 Ų | 11 | 106.9 Ų | 106.9 | 7% | 0.074 | 57% | 0.568 | C | S | . | * | trans | -74.3 | 131.9 | 164.6 | -165.8 | 0 | 0 | 0 | 0 | 108.9 | Y171 C174 K176 L184 H187 H191 | C169-Y171 VanDerWaalsContact SG-CB 3.59Å; C169-C174 HydrophobicContact CB-CB 4.31Å; C169-K176 PolarHBondContact N-O 3.34Å; C169-L184 HydrophobicContact CB-CD1 4.07Å; C169-H187 PolarHBondContact SG-NE2 2.93Å; C169-H191 PolarHBondContact SG-NE2 2.98Å; C169-H191 VanDerWaalsContact SG-NE2 3.43Å | ||
| 170 | H | 79.7 | Confident | 73.5 | Confident | 171 Ų | 171 | 109.1 Ų | 109.1 | 79% | 0.792 | 57% | 0.574 | S | S | * | * | trans | -104.3 | 12.3 | 175.8 | -69.2 | -80.7 | 0 | 0 | 0 | 112.1 | K168 | K168-H170 PolarHBondContact O-CD2 3.23Š| ||
| 171 | Y | 80 | Confident | 74.7 | Confident | 123 Ų | 123 | 106.6 Ų | 106.6 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -73.1 | 136.4 | 177.5 | -159.1 | -91.9 | 0 | 0 | 0 | 110.3 | C169 G173 C174 H191 | C169-Y171 VanDerWaalsContact SG-CB 3.59Å; Y171-G173 PolarHBondContact O-N 2.83Å; Y171-C174 PolarHBondContact O-N 3.05Å; Y171-H191 HydrophobicContact CD1-CB 4.35Å; Y171-H191 AromaticContact CD1-CE1 3.45Å; Y171-H191 VanDerWaalsContact CD1-CE1 3.45Å; Y171-H191 WeakPolarHBondContact CD1-CE1 3.46Å; Y171-H191 AromaticContact CD1-CG 3.74Å; Y171-H191 AromaticContact CD1-ND1 3.12Å; Y171-H191 WeakPolarHBondContact CD1-ND1 3.47Å; Y171-H191 HydrophobicContact CD2-CB 3.57Å; Y171-H191 AromaticContact CD2-CG 3.65Å; Y171-H191 AromaticContact CD2-ND1 3.92Å; Y171-H191 HydrophobicContact CE1-CB 4.4Å; Y171-H191 AromaticContact CE1-ND1 3.48Å; Y171-H191 WeakPolarHBondContact CE1-ND1 3.49Å; Y171-H191 HydrophobicContact CE2-CB 3.65Å; Y171-H191 HydrophobicContact CG-CB 3.92Å; Y171-H191 AromaticContact CG-CD2 3.85Å; Y171-H191 AromaticContact CG-CE1 3.69Å; Y171-H191 AromaticContact CG-CG 3.44Å; Y171-H191 VanDerWaalsContact CG-CG 3.44Å; Y171-H191 AromaticContact CG-ND1 3.35Å; Y171-H191 VanDerWaalsContact CG-ND1 3.35Å |
| 172 | A | 81.5 | Confident | 75.8 | Confident | 94 Ų | 94 | 103.1 Ų | 103.1 | 78% | 0.777 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 122.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 173 | G | 79.6 | Confident | 77 | Confident | 94 Ų | 94 | 104.9 Ų | 104.9 | 97% | 0.969 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.3 | 6.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y171 | Y171-G173 PolarHBondContact O-N 2.83Š|
| 174 | C | 79.5 | Confident | 78.1 | Confident | 17 Ų | 17 | 100.2 Ų | 100.2 | 12% | 0.115 | 53% | 0.528 | C | S | . | . | trans | -119.7 | 109.1 | 176.2 | -165.6 | 0 | 0 | 0 | 0 | 112.7 | C169 Y171 H187 H191 | C169-C174 HydrophobicContact CB-CB 4.31Å; Y171-C174 PolarHBondContact O-N 3.05Å; C174-H187 PolarHBondContact SG-CE1 3.5Å; C174-H187 PolarHBondContact SG-NE2 3.49Å; C174-H191 WeakPolarHBondContact CB-NE2 3.27Å; C174-H191 PolarHBondContact SG-NE2 3.42Å; C174-H191 VanDerWaalsContact SG-NE2 3.37Å | ||
| 175 | E | 80.4 | Confident | 79.1 | Confident | 186 Ų | 186 | 99.3 Ų | 99.3 | 87% | 0.869 | 52% | 0.522 | S | S | * | . | trans | -98 | 23.6 | 179.9 | -152.5 | 178.7 | 170.9 | 0 | 0 | 113 | ||||
| 176 | K | 82.4 | Confident | 80.2 | Confident | 116 Ų | 116 | 89.9 Ų | 89.9 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | trans | -77.8 | 132.3 | -174.7 | -66.6 | -179 | -171.9 | 171.1 | 0 | 111.4 | C169 Y178 | C169-K176 PolarHBondContact N-O 3.34Å; K176-Y178 HydrophobicContact CB-CE2 3.65Å; K176-Y178 WeakPolarHBondContact CD-OH 3.25Å | ||
| 177 | V | 83.9 | Confident | 80.8 | Confident | 73 Ų | 73 | 83 Ų | 83 | 44% | 0.442 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.1 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | K166 K168 | K166-V177 HydrophobicContact CB-CG1 3.51Å; K166-V177 HydrophobicContact CD-CG1 4.12Å; K166-V177 HydrophobicContact CG-CG1 4.16Å; K168-V177 HydrophobicContact CB-CG2 4.44Å; K168-V177 HydrophobicContact CG-CG1 4.04Å; K168-V177 HydrophobicContact CG-CG2 3.93Å |
| 178 | Y | 81 | Confident | 81 | Confident | 50 Ų | 50 | 83.5 Ų | 83.5 | 20% | 0.196 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.8 | -175.6 | -62.2 | -84.9 | 0 | 0 | 0 | 111.2 | H167 K176 K180 H183 L184 H187 | H167-Y178 WeakPolarHBondContact CB-O 3.47Å; H167-Y178 PolarHBondContact N-O 3.45Å; H167-Y178 PolarHBondContact O-N 2.7Å; K176-Y178 HydrophobicContact CB-CE2 3.65Å; K176-Y178 WeakPolarHBondContact CD-OH 3.25Å; Y178-K180 PolarHBondContact O-N 3.18Å; Y178-H183 HydrophobicContact CD1-CB 3.61Å; Y178-H183 HydrophobicContact CE1-CB 4.42Å; Y178-H183 HydrophobicContact CG-CB 4.03Å; Y178-L184 HydrophobicContact CD2-CB 4.07Å; Y178-L184 HydrophobicContact CD2-CD1 3.86Å; Y178-L184 HydrophobicContact CE2-CD1 4.26Å; Y178-L184 HydrophobicContact CG-CB 4.41Å; Y178-H187 HydrophobicContact CD2-CB 4.48Å; Y178-H187 HydrophobicContact CE1-CB 4.31Å; Y178-H187 HydrophobicContact CE2-CB 3.63Å; Y178-H187 AromaticContact CE2-CD2 3.33Å; Y178-H187 WeakPolarHBondContact CE2-CD2 3.18Å; Y178-H187 AromaticContact CE2-CG 3.52Å; Y178-H187 AromaticContact CZ-CD2 3.83Å; Y178-H187 AromaticContact CZ-CG 3.54Å; Y178-H187 WeakPolarHBondContact OH-CB 3.05Å; Y178-H187 PolarHBondContact OH-ND1 3.48Å |
| 179 | G | 80.9 | Confident | 80.8 | Confident | 69 Ų | 69 | 81.5 Ų | 81.5 | 71% | 0.711 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -75.4 | -6.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 180 | K | 79.3 | Confident | 80.5 | Confident | 130 Ų | 130 | 85.1 Ų | 85.1 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -136.5 | 137.5 | 180 | -64.6 | -176.2 | -179 | -178.8 | 0 | 110.6 | Y178 S182 H183 L184 | Y178-K180 PolarHBondContact O-N 3.18Å; K180-S182 VanDerWaalsContact C-N 3.28Å; K180-S182 PolarHBondContact O-N 3.17Å; K180-H183 PolarHBondContact O-N 3.05Å; K180-H183 VanDerWaalsContact O-N 3.13Å; K180-L184 PolarHBondContact O-N 2.8Å |
| 181 | S | 81.6 | Confident | 80.4 | Confident | 66 Ų | 66 | 79.2 Ų | 79.2 | 46% | 0.462 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 178.7 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | H167 H183 L184 K185 | H167-S181 VanDerWaalsContact CD2-CA 3.49Å; H167-S181 WeakPolarHBondContact CD2-CA 3.41Å; H167-S181 PolarHBondContact CD2-N 3.25Å; H167-S181 VanDerWaalsContact CE1-CB 3.43Å; H167-S181 WeakPolarHBondContact CE1-CB 3.35Å; H167-S181 WeakPolarHBondContact NE2-CB 3.46Å; H167-S181 PolarHBondContact NE2-N 2.88Å; H167-S181 VanDerWaalsContact NE2-N 3.16Å; S181-H183 VanDerWaalsContact C-N 3.26Å; S181-H183 PolarHBondContact O-N 3.45Å; S181-L184 PolarHBondContact O-N 3.26Å; S181-L184 VanDerWaalsContact O-N 3.13Å; S181-K185 PolarHBondContact O-N 3.23Å |
| 182 | S | 80.1 | Confident | 80.1 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 54% | 0.538 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59 | -36.6 | 177.6 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | K180 A186 | K180-S182 VanDerWaalsContact C-N 3.28Å; K180-S182 PolarHBondContact O-N 3.17Å; S182-A186 WeakPolarHBondContact O-CB 3.35Å; S182-A186 PolarHBondContact O-N 2.71Å |
| 183 | H | 80.7 | Confident | 79.6 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.9 | -38.7 | 177 | -64.7 | -179.2 | 0 | 0 | 0 | 111.8 | Y178 K180 S181 A186 H187 | Y178-H183 HydrophobicContact CD1-CB 3.61Å; Y178-H183 HydrophobicContact CE1-CB 4.42Å; Y178-H183 HydrophobicContact CG-CB 4.03Å; K180-H183 PolarHBondContact O-N 3.05Å; K180-H183 VanDerWaalsContact O-N 3.13Å; S181-H183 VanDerWaalsContact C-N 3.26Å; S181-H183 PolarHBondContact O-N 3.45Å; H183-A186 PolarHBondContact O-N 3.17Å; H183-H187 WeakPolarHBondContact O-CB 3.49Å; H183-H187 PolarHBondContact O-N 2.82Å |
| 184 | L | 84.4 | Confident | 79.2 | Confident | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.12 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 172.8 | 176.8 | 65.9 | 0 | 0 | 0 | 110.7 | H167 K168 C169 Y178 K180 S181 A186 H187 L188 | H167-L184 HydrophobicContact CB-CB 3.69Å; H167-L184 HydrophobicContact CB-CD2 3.66Å; H167-L184 HydrophobicContact CB-CG 4.23Å; K168-L184 WeakPolarHBondContact O-CD2 3.47Å; C169-L184 HydrophobicContact CB-CD1 4.07Å; Y178-L184 HydrophobicContact CD2-CB 4.07Å; Y178-L184 HydrophobicContact CD2-CD1 3.86Å; Y178-L184 HydrophobicContact CE2-CD1 4.26Å; Y178-L184 HydrophobicContact CG-CB 4.41Å; K180-L184 PolarHBondContact O-N 2.8Å; S181-L184 PolarHBondContact O-N 3.26Å; S181-L184 VanDerWaalsContact O-N 3.13Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.07Å; L184-H187 CarbonylContact O-C 3.53Å; L184-H187 WeakPolarHBondContact O-CA 3.42Å; L184-H187 WeakPolarHBondContact O-CB 3.45Å; L184-H187 PolarHBondContact O-N 3.49Å; L184-L188 HydrophobicContact CD1-CD1 4.48Å; L184-L188 HydrophobicContact CD1-CG 4.21Å; L184-L188 HydrophobicContact CG-CD1 4.1Å; L184-L188 HydrophobicContact CG-CG 4.28Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.36Å |
| 185 | K | 80 | Confident | 78.8 | Confident | 139 Ų | 139 | 82.9 Ų | 82.9 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.1 | -42.9 | 178.1 | -177.1 | 173.6 | -83.1 | -172.8 | 0 | 111.5 | S181 H187 L188 R189 | S181-K185 PolarHBondContact O-N 3.23Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.26Å; K185-L188 PolarHBondContact O-N 2.76Å; K185-R189 PolarHBondContact O-N 2.87Å |
| 186 | A | 78.3 | Confident | 78.6 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 16% | 0.157 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S182 H183 L184 R210 | S182-A186 WeakPolarHBondContact O-CB 3.35Å; S182-A186 PolarHBondContact O-N 2.71Å; H183-A186 PolarHBondContact O-N 3.17Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 3.07Å; A186-R210 HydrophobicContact CB-CG 4.05Å |
| 187 | H | 82.7 | Confident | 78.1 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 5% | 0.051 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.9 | -39.8 | 173.9 | 168.5 | 53.6 | 0 | 0 | 0 | 112.4 | C169 C174 Y178 H183 L184 K185 R189 T190 H191 | C169-H187 PolarHBondContact SG-NE2 2.93Å; C174-H187 PolarHBondContact SG-CE1 3.5Å; C174-H187 PolarHBondContact SG-NE2 3.49Å; Y178-H187 HydrophobicContact CD2-CB 4.48Å; Y178-H187 HydrophobicContact CE1-CB 4.31Å; Y178-H187 HydrophobicContact CE2-CB 3.63Å; Y178-H187 AromaticContact CE2-CD2 3.33Å; Y178-H187 WeakPolarHBondContact CE2-CD2 3.18Å; Y178-H187 AromaticContact CE2-CG 3.52Å; Y178-H187 AromaticContact CZ-CD2 3.83Å; Y178-H187 AromaticContact CZ-CG 3.54Å; Y178-H187 WeakPolarHBondContact OH-CB 3.05Å; Y178-H187 PolarHBondContact OH-ND1 3.48Å; H183-H187 WeakPolarHBondContact O-CB 3.49Å; H183-H187 PolarHBondContact O-N 2.82Å; L184-H187 CarbonylContact O-C 3.53Å; L184-H187 WeakPolarHBondContact O-CA 3.42Å; L184-H187 WeakPolarHBondContact O-CB 3.45Å; L184-H187 PolarHBondContact O-N 3.49Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.26Å; H187-R189 PolarHBondContact O-N 3.3Å; H187-T190 PolarHBondContact ND1-OG1 3.32Å; H187-T190 WeakPolarHBondContact O-CA 3.33Å; H187-T190 VanDerWaalsContact O-CB 3.3Å; H187-T190 WeakPolarHBondContact O-CB 3.25Å; H187-T190 PolarHBondContact O-N 2.98Å; H187-T190 PolarHBondContact O-OG1 3.04Å; H187-H191 AromaticContact CE1-CD2 3.75Å; H187-H191 AromaticContact CE1-NE2 3.21Å; H187-H191 PolarHBondContact CE1-NE2 2.78Å; H187-H191 AromaticContact NE2-CD2 3.67Å; H187-H191 AromaticContact NE2-NE2 3.16Å; H187-H191 PolarHBondContact NE2-NE2 2.76Å; H187-H191 VanDerWaalsContact NE2-NE2 3.16Å |
| 188 | L | 79.9 | Confident | 77.7 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 36% | 0.361 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59 | -31.4 | 177.6 | -71.6 | 171.2 | 0 | 0 | 0 | 112.1 | L184 K185 T190 H191 T192 | L184-L188 HydrophobicContact CD1-CD1 4.48Å; L184-L188 HydrophobicContact CD1-CG 4.21Å; L184-L188 HydrophobicContact CG-CD1 4.1Å; L184-L188 HydrophobicContact CG-CG 4.28Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.36Å; K185-L188 PolarHBondContact O-N 2.76Å; L188-T190 PolarHBondContact O-N 3.42Å; L188-H191 WeakPolarHBondContact O-CA 3.5Å; L188-H191 WeakPolarHBondContact O-CB 3.46Å; L188-H191 PolarHBondContact O-N 3.39Å; L188-T192 PolarHBondContact O-N 3.28Å; L188-T192 VanDerWaalsContact O-N 3.11Å |
| 189 | R | 76.4 | Confident | 77.6 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -24.7 | 171.4 | -66.1 | -179.4 | -179.9 | 164 | -1.2 | 114 | K185 H187 H191 T192 G193 E194 A209 | K185-R189 PolarHBondContact O-N 2.87Å; H187-R189 PolarHBondContact O-N 3.3Å; R189-H191 VanDerWaalsContact C-N 3.28Å; R189-T192 WeakPolarHBondContact CA-OG1 3.36Å; R189-G193 PolarHBondContact O-N 3.47Å; R189-G193 VanDerWaalsContact O-N 3.13Å; R189-E194 PolarHBondContact O-N 3.19Å; R189-A209 HydrophobicContact CB-CB 4.28Å; R189-A209 WeakPolarHBondContact CD-O 3.46Å; R189-A209 PolarHBondContact NH1-O 2.85Å |
| 190 | T | 77.4 | Confident | 77.2 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.4 | -21.7 | 174.2 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | H187 L188 | H187-T190 PolarHBondContact ND1-OG1 3.32Å; H187-T190 WeakPolarHBondContact O-CA 3.33Å; H187-T190 VanDerWaalsContact O-CB 3.3Å; H187-T190 WeakPolarHBondContact O-CB 3.25Å; H187-T190 PolarHBondContact O-N 2.98Å; H187-T190 PolarHBondContact O-OG1 3.04Å; L188-T190 PolarHBondContact O-N 3.42Å |
| 191 | H | 79.3 | Confident | 76.8 | Confident | 47 Ų | 47 | 70 Ų | 70 | 22% | 0.218 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -86.9 | -39 | 174.2 | -71.7 | -61.5 | 0 | 0 | 0 | 112.4 | C169 Y171 C174 H187 L188 R189 G193 | C169-H191 PolarHBondContact SG-NE2 2.98Å; C169-H191 VanDerWaalsContact SG-NE2 3.43Å; Y171-H191 HydrophobicContact CD1-CB 4.35Å; Y171-H191 AromaticContact CD1-CE1 3.45Å; Y171-H191 VanDerWaalsContact CD1-CE1 3.45Å; Y171-H191 WeakPolarHBondContact CD1-CE1 3.46Å; Y171-H191 AromaticContact CD1-CG 3.74Å; Y171-H191 AromaticContact CD1-ND1 3.12Å; Y171-H191 WeakPolarHBondContact CD1-ND1 3.47Å; Y171-H191 HydrophobicContact CD2-CB 3.57Å; Y171-H191 AromaticContact CD2-CG 3.65Å; Y171-H191 AromaticContact CD2-ND1 3.92Å; Y171-H191 HydrophobicContact CE1-CB 4.4Å; Y171-H191 AromaticContact CE1-ND1 3.48Å; Y171-H191 WeakPolarHBondContact CE1-ND1 3.49Å; Y171-H191 HydrophobicContact CE2-CB 3.65Å; Y171-H191 HydrophobicContact CG-CB 3.92Å; Y171-H191 AromaticContact CG-CD2 3.85Å; Y171-H191 AromaticContact CG-CE1 3.69Å; Y171-H191 AromaticContact CG-CG 3.44Å; Y171-H191 VanDerWaalsContact CG-CG 3.44Å; Y171-H191 AromaticContact CG-ND1 3.35Å; Y171-H191 VanDerWaalsContact CG-ND1 3.35Å; C174-H191 WeakPolarHBondContact CB-NE2 3.27Å; C174-H191 PolarHBondContact SG-NE2 3.42Å; C174-H191 VanDerWaalsContact SG-NE2 3.37Å; H187-H191 AromaticContact CE1-CD2 3.75Å; H187-H191 AromaticContact CE1-NE2 3.21Å; H187-H191 PolarHBondContact CE1-NE2 2.78Å; H187-H191 AromaticContact NE2-CD2 3.67Å; H187-H191 AromaticContact NE2-NE2 3.16Å; H187-H191 PolarHBondContact NE2-NE2 2.76Å; H187-H191 VanDerWaalsContact NE2-NE2 3.16Å; L188-H191 WeakPolarHBondContact O-CA 3.5Å; L188-H191 WeakPolarHBondContact O-CB 3.46Å; L188-H191 PolarHBondContact O-N 3.39Å; R189-H191 VanDerWaalsContact C-N 3.28Å; H191-G193 VanDerWaalsContact C-N 3.26Å; H191-G193 PolarHBondContact O-N 3.31Å |
| 192 | T | 72.9 | Confident | 76.3 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 54% | 0.54 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -77 | -13.2 | 177.6 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | L188 R189 E194 | L188-T192 PolarHBondContact O-N 3.28Å; L188-T192 VanDerWaalsContact O-N 3.11Å; R189-T192 WeakPolarHBondContact CA-OG1 3.36Å; T192-E194 PolarHBondContact O-N 3.45Å |
| 193 | G | 71.2 | Confident | 76 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 58% | 0.577 | 41% | 0.411 | S | S | * | . | trans | 71 | 4.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R189 H191 R195 | R189-G193 PolarHBondContact O-N 3.47Å; R189-G193 VanDerWaalsContact O-N 3.13Å; H191-G193 VanDerWaalsContact C-N 3.26Å; H191-G193 PolarHBondContact O-N 3.31Å; G193-R195 PolarHBondContact O-N 3.13Å | ||
| 194 | E | 69.9 | Low | 75.7 | Confident | 122 Ų | 122 | 74.1 Ų | 74.1 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | trans | -69.9 | 116.9 | -179.5 | -68.8 | -178.1 | 160.8 | 0 | 0 | 110.6 | R189 T192 P196 | R189-E194 PolarHBondContact O-N 3.19Å; T192-E194 PolarHBondContact O-N 3.45Å; E194-P196 VanDerWaalsContact C-CD 3.44Å; E194-P196 VanDerWaalsContact O-CD 3.27Å; E194-P196 WeakPolarHBondContact O-CD 2.95Å | ||
| 195 | R | 73.2 | Confident | 75.2 | Confident | 139 Ų | 139 | 80.2 Ų | 80.2 | 53% | 0.525 | 43% | 0.426 | S | S | . | . | trans | -118.2 | 77 | 177.1 | -63.8 | 167.8 | 79.1 | 169.9 | 6.8 | 109.1 | G193 F197 K207 F208 | G193-R195 PolarHBondContact O-N 3.13Å; R195-F197 PolarHBondContact O-N 3.18Å; R195-K207 HydrophobicContact CB-CB 3.57Å; R195-K207 PolarHBondContact NE-O 3.17Å; R195-K207 PolarHBondContact NH2-O 3.47Å; R195-F208 CarbonylContact C-O 3.37Å; R195-F208 VanDerWaalsContact CA-O 3.32Å; R195-F208 WeakPolarHBondContact CA-O 3.25Å | ||
| 196 | P | 74.6 | Confident | 75 | Confident | 80 Ų | 80 | 79.2 Ų | 79.2 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | trans | -69.7 | -17.5 | -175.1 | 26.3 | -33.2 | 0 | 0 | 0 | 113.3 | E194 A198 | E194-P196 VanDerWaalsContact C-CD 3.44Å; E194-P196 VanDerWaalsContact O-CD 3.27Å; E194-P196 WeakPolarHBondContact O-CD 2.95Å; P196-A198 PolarHBondContact O-N 3.22Å | ||
| 197 | F | 71.8 | Confident | 75 | Confident | 45 Ų | 45 | 84 Ų | 84 | 20% | 0.197 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 92.2 | -175.3 | -59.7 | -73.5 | 0 | 0 | 0 | 111.2 | R195 K207 F208 R210 L214 | R195-F197 PolarHBondContact O-N 3.18Å; F197-K207 CarbonylContact O-C 3.57Å; F197-K207 WeakPolarHBondContact O-CA 3.32Å; F197-F208 HydrophobicContact CB-CB 4.27Å; F197-F208 WeakPolarHBondContact CB-O 3.5Å; F197-F208 PolarHBondContact N-O 3.43Å; F197-F208 VanDerWaalsContact N-O 3.17Å; F197-F208 PolarHBondContact O-N 3.4Å; F197-R210 VanDerWaalsContact CD2-C 3.43Å; F197-L214 HydrophobicContact CB-CB 4Å; F197-L214 HydrophobicContact CB-CD2 3.71Å; F197-L214 HydrophobicContact CB-CG 4.46Å |
| 198 | A | 76.3 | Confident | 74.7 | Confident | 47 Ų | 47 | 85 Ų | 85 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 145.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P196 K207 L214 | P196-A198 PolarHBondContact O-N 3.22Å; A198-K207 HydrophobicContact CB-CG 4.2Å; A198-L214 VanDerWaalsContact O-CD2 3.27Å; A198-L214 WeakPolarHBondContact O-CD2 3.25Å |
| 199 | C | 79.8 | Confident | 74.4 | Confident | 12 Ų | 12 | 82.3 Ų | 82.3 | 8% | 0.081 | 43% | 0.431 | C | S | . | . | trans | -70.4 | 130.2 | 166.2 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | W201 C204 K206 L214 H217 H221 | C199-W201 PolarHBondContact O-N 3.46Å; C199-W201 VanDerWaalsContact SG-CB 3.59Å; C199-C204 HydrophobicContact CB-CB 4.42Å; C199-C204 WeakPolarHBondContact CB-O 3.41Å; C199-K206 WeakPolarHBondContact CB-O 3.17Å; C199-K206 PolarHBondContact N-O 2.92Å; C199-L214 HydrophobicContact CB-CD1 3.96Å; C199-H217 PolarHBondContact SG-NE2 3.12Å; C199-H221 VanDerWaalsContact SG-CD2 3.55Å; C199-H221 PolarHBondContact SG-NE2 3.03Å | ||
| 200 | S | 71.7 | Confident | 74.1 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | trans | -80 | -0.1 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 201 | W | 70.2 | Confident | 74.1 | Confident | 92 Ų | 92 | 80.8 Ų | 80.8 | 35% | 0.348 | 42% | 0.42 | S | S | . | . | trans | -80.2 | 122.2 | 179.9 | -157.9 | -80.7 | 0 | 0 | 0 | 108.9 | C199 D203 C204 Y218 H221 | C199-W201 PolarHBondContact O-N 3.46Å; C199-W201 VanDerWaalsContact SG-CB 3.59Å; W201-D203 VanDerWaalsContact C-N 3.29Å; W201-D203 VanDerWaalsContact NE1-CG 3.3Å; W201-D203 PolarHBondContact NE1-OD1 3.4Å; W201-D203 PolarHBondContact NE1-OD2 3.26Å; W201-D203 PolarHBondContact O-N 3.19Å; W201-C204 HydrophobicContact CB-CB 3.94Å; W201-C204 CarbonylContact O-C 3.4Å; W201-C204 WeakPolarHBondContact O-CA 3.36Å; W201-C204 PolarHBondContact O-N 3.02Å; W201-Y218 HydrophobicContact CE3-CE2 4.38Å; W201-H221 AromaticContact CD1-CE1 3.96Å; W201-H221 HydrophobicContact CD2-CB 3.83Å; W201-H221 AromaticContact CD2-CG 3.73Å; W201-H221 HydrophobicContact CE3-CB 3.58Å; W201-H221 AromaticContact CE3-CG 3.89Å; W201-H221 AromaticContact CG-CD2 3.85Å; W201-H221 AromaticContact CG-CE1 3.91Å; W201-H221 AromaticContact CG-CG 3.89Å; W201-H221 AromaticContact CG-ND1 4Å; W201-H221 AromaticContact CG-NE2 3.86Å; W201-H221 HydrophobicContact CH2-CB 4.15Å; W201-H221 HydrophobicContact CZ2-CB 4.37Å; W201-H221 HydrophobicContact CZ3-CB 3.75Å | ||
| 202 | Q | 70.7 | Confident | 73.9 | Confident | 184 Ų | 184 | 83.1 Ų | 83.1 | 86% | 0.86 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -32.8 | -164.1 | -165.9 | 175.6 | -2.6 | 0 | 0 | 113.8 | C204 | Q202-C204 VanDerWaalsContact C-N 3.29Š|
| 203 | D | 75.3 | Confident | 74 | Confident | 131 Ų | 131 | 80.8 Ų | 80.8 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.5 | 173.8 | 40.7 | -55.8 | 0 | 0 | 0 | 112.9 | W201 | W201-D203 VanDerWaalsContact C-N 3.29Å; W201-D203 VanDerWaalsContact NE1-CG 3.3Å; W201-D203 PolarHBondContact NE1-OD1 3.4Å; W201-D203 PolarHBondContact NE1-OD2 3.26Å; W201-D203 PolarHBondContact O-N 3.19Å |
| 204 | C | 74.5 | Confident | 74.5 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 8% | 0.081 | 39% | 0.391 | C | S | . | . | trans | -126.2 | 92.5 | 180 | -154 | 0 | 0 | 0 | 0 | 113.8 | C199 W201 Q202 K206 H217 H221 | C199-C204 HydrophobicContact CB-CB 4.42Å; C199-C204 WeakPolarHBondContact CB-O 3.41Å; W201-C204 HydrophobicContact CB-CB 3.94Å; W201-C204 CarbonylContact O-C 3.4Å; W201-C204 WeakPolarHBondContact O-CA 3.36Å; W201-C204 PolarHBondContact O-N 3.02Å; Q202-C204 VanDerWaalsContact C-N 3.29Å; C204-K206 PolarHBondContact O-N 3.11Å; C204-H217 PolarHBondContact SG-CE1 3.46Å; C204-H217 PolarHBondContact SG-NE2 3.13Å; C204-H221 VanDerWaalsContact CB-CE1 3.45Å; C204-H221 WeakPolarHBondContact CB-CE1 3.46Å; C204-H221 WeakPolarHBondContact CB-NE2 3.3Å; C204-H221 VanDerWaalsContact SG-CE1 3.6Å | ||
| 205 | N | 73.4 | Confident | 74.9 | Confident | 150 Ų | 150 | 72.6 Ų | 72.6 | 80% | 0.802 | 37% | 0.365 | S | S | * | . | trans | -80.9 | 28 | 176.1 | -76.2 | -59.7 | 0 | 0 | 0 | 114.7 | ||||
| 206 | K | 76.2 | Confident | 74.9 | Confident | 119 Ų | 119 | 70.5 Ų | 70.5 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | trans | -81.3 | 123.7 | -177.4 | -68.9 | -179.7 | -167.2 | -73.5 | 0 | 111.1 | C199 C204 F208 | C199-K206 WeakPolarHBondContact CB-O 3.17Å; C199-K206 PolarHBondContact N-O 2.92Å; C204-K206 PolarHBondContact O-N 3.11Å; K206-F208 HydrophobicContact CB-CE2 3.76Å; K206-F208 HydrophobicContact CB-CZ 3.86Å; K206-F208 HydrophobicContact CD-CZ 4.42Å | ||
| 207 | K | 78.5 | Confident | 75.2 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 153.4 | 173.6 | -54.3 | -175.2 | 179.8 | 179.5 | 0 | 111.2 | R195 F197 A198 | R195-K207 HydrophobicContact CB-CB 3.57Å; R195-K207 PolarHBondContact NE-O 3.17Å; R195-K207 PolarHBondContact NH2-O 3.47Å; F197-K207 CarbonylContact O-C 3.57Å; F197-K207 WeakPolarHBondContact O-CA 3.32Å; A198-K207 HydrophobicContact CB-CG 4.2Å |
| 208 | F | 75.4 | Confident | 75.3 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151 | -179.4 | -61.9 | -86 | 0 | 0 | 0 | 110.6 | R195 F197 K206 E213 L214 H217 | R195-F208 CarbonylContact C-O 3.37Å; R195-F208 VanDerWaalsContact CA-O 3.32Å; R195-F208 WeakPolarHBondContact CA-O 3.25Å; F197-F208 HydrophobicContact CB-CB 4.27Å; F197-F208 WeakPolarHBondContact CB-O 3.5Å; F197-F208 PolarHBondContact N-O 3.43Å; F197-F208 VanDerWaalsContact N-O 3.17Å; F197-F208 PolarHBondContact O-N 3.4Å; K206-F208 HydrophobicContact CB-CE2 3.76Å; K206-F208 HydrophobicContact CB-CZ 3.86Å; K206-F208 HydrophobicContact CD-CZ 4.42Å; F208-E213 HydrophobicContact CB-CB 4.02Å; F208-E213 HydrophobicContact CD1-CB 3.78Å; F208-E213 HydrophobicContact CG-CB 4.13Å; F208-L214 HydrophobicContact CB-CB 4.24Å; F208-L214 HydrophobicContact CD2-CB 3.94Å; F208-L214 HydrophobicContact CD2-CD1 3.76Å; F208-L214 HydrophobicContact CD2-CG 4.44Å; F208-L214 HydrophobicContact CE2-CD1 4.01Å; F208-L214 HydrophobicContact CG-CB 4.3Å; F208-H217 HydrophobicContact CE1-CB 4.11Å; F208-H217 HydrophobicContact CE2-CB 3.7Å; F208-H217 AromaticContact CE2-CD2 3.25Å; F208-H217 WeakPolarHBondContact CE2-CD2 3.4Å; F208-H217 AromaticContact CE2-CG 3.53Å; F208-H217 HydrophobicContact CZ-CB 3.42Å; F208-H217 VanDerWaalsContact CZ-CB 3.42Å; F208-H217 AromaticContact CZ-CD2 3.52Å; F208-H217 AromaticContact CZ-CG 3.32Å; F208-H217 AromaticContact CZ-ND1 3.98Å |
| 209 | A | 73.3 | Confident | 75.1 | Confident | 13 Ų | 13 | 68 Ų | 68 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -82.9 | -22.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | R189 | R189-A209 HydrophobicContact CB-CB 4.28Å; R189-A209 WeakPolarHBondContact CD-O 3.46Å; R189-A209 PolarHBondContact NH1-O 2.85Å |
| 210 | R | 71.1 | Confident | 74.7 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -126.6 | 144.2 | -179.2 | -58.7 | -173.1 | -67.8 | 157.6 | -6 | 111.6 | A186 F197 D212 E213 L214 | A186-R210 HydrophobicContact CB-CG 4.05Å; F197-R210 VanDerWaalsContact CD2-C 3.43Å; R210-D212 VanDerWaalsContact C-N 3.31Å; R210-D212 PolarHBondContact O-N 3.2Å; R210-E213 HydrophobicContact CB-CB 4.44Å; R210-E213 HydrophobicContact CB-CG 4.02Å; R210-E213 IonicContact CZ-OE1 2.71Å; R210-E213 PolarHBondContact N-OE2 3.41Å; R210-E213 IonicContact NE-OE1 3.15Å; R210-E213 PolarHBondContact NE-OE1 2.56Å; R210-E213 IonicContact NH2-OE1 3.17Å; R210-E213 PolarHBondContact NH2-OE1 3.3Å; R210-E213 WeakPolarHBondContact O-CB 3.48Å; R210-E213 PolarHBondContact O-N 3.37Å; R210-L214 PolarHBondContact O-N 3.09Å |
| 211 | S | 76.7 | Confident | 74.7 | Confident | 31 Ų | 31 | 69.2 Ų | 69.2 | 22% | 0.217 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 175.6 | 55.6 | 0 | 0 | 0 | 0 | 112 | E213 L214 A215 | S211-E213 PolarHBondContact O-N 3.16Å; S211-L214 PolarHBondContact O-N 3.45Å; S211-A215 WeakPolarHBondContact O-CB 3.45Å; S211-A215 PolarHBondContact O-N 2.94Å |
| 212 | D | 74.3 | Confident | 74.7 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 176.2 | -56.2 | -37.9 | 0 | 0 | 0 | 112.5 | R210 R216 | R210-D212 VanDerWaalsContact C-N 3.31Å; R210-D212 PolarHBondContact O-N 3.2Å; D212-R216 VanDerWaalsContact O-CB 3.25Å; D212-R216 WeakPolarHBondContact O-CB 3.46Å; D212-R216 PolarHBondContact O-N 3.43Å |
| 213 | E | 76.1 | Confident | 74.4 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.9 | -42 | 178.9 | -66.9 | 168.5 | 171.8 | 0 | 0 | 111.1 | F208 R210 S211 R216 H217 | F208-E213 HydrophobicContact CB-CB 4.02Å; F208-E213 HydrophobicContact CD1-CB 3.78Å; F208-E213 HydrophobicContact CG-CB 4.13Å; R210-E213 HydrophobicContact CB-CB 4.44Å; R210-E213 HydrophobicContact CB-CG 4.02Å; R210-E213 IonicContact CZ-OE1 2.71Å; R210-E213 PolarHBondContact N-OE2 3.41Å; R210-E213 IonicContact NE-OE1 3.15Å; R210-E213 PolarHBondContact NE-OE1 2.56Å; R210-E213 IonicContact NH2-OE1 3.17Å; R210-E213 PolarHBondContact NH2-OE1 3.3Å; R210-E213 WeakPolarHBondContact O-CB 3.48Å; R210-E213 PolarHBondContact O-N 3.37Å; S211-E213 PolarHBondContact O-N 3.16Å; E213-R216 PolarHBondContact O-N 3.21Å; E213-H217 WeakPolarHBondContact O-CB 3.32Å; E213-H217 PolarHBondContact O-N 3.24Å |
| 214 | L | 82.3 | Confident | 73.7 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 174.1 | 176 | 59.5 | 0 | 0 | 0 | 111.1 | L71 F197 A198 C199 F208 R210 S211 R216 H217 Y218 | L71-L214 HydrophobicContact CD1-CD2 3.57Å; L71-L214 HydrophobicContact CD1-CG 4.31Å; L71-L214 HydrophobicContact CD2-CD2 3.54Å; L71-L214 HydrophobicContact CG-CD2 4.2Å; F197-L214 HydrophobicContact CB-CB 4Å; F197-L214 HydrophobicContact CB-CD2 3.71Å; F197-L214 HydrophobicContact CB-CG 4.46Å; A198-L214 VanDerWaalsContact O-CD2 3.27Å; A198-L214 WeakPolarHBondContact O-CD2 3.25Å; C199-L214 HydrophobicContact CB-CD1 3.96Å; F208-L214 HydrophobicContact CB-CB 4.24Å; F208-L214 HydrophobicContact CD2-CB 3.94Å; F208-L214 HydrophobicContact CD2-CD1 3.76Å; F208-L214 HydrophobicContact CD2-CG 4.44Å; F208-L214 HydrophobicContact CE2-CD1 4.01Å; F208-L214 HydrophobicContact CG-CB 4.3Å; R210-L214 PolarHBondContact O-N 3.09Å; S211-L214 PolarHBondContact O-N 3.45Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.31Å; L214-H217 CarbonylContact O-C 3.5Å; L214-H217 WeakPolarHBondContact O-CA 3.17Å; L214-H217 WeakPolarHBondContact O-CB 3.27Å; L214-H217 PolarHBondContact O-N 3.19Å; L214-Y218 PolarHBondContact O-N 3.28Å |
| 215 | A | 77.1 | Confident | 73.4 | Confident | 2 Ų | 2 | 63 Ų | 63 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V64 I67 S211 Y218 R219 | V64-A215 HydrophobicContact CG1-CB 4.39Å; V64-A215 HydrophobicContact CG2-CB 4.28Å; I67-A215 HydrophobicContact CG2-CB 4.37Å; S211-A215 WeakPolarHBondContact O-CB 3.45Å; S211-A215 PolarHBondContact O-N 2.94Å; A215-Y218 PolarHBondContact O-N 3.12Å; A215-R219 PolarHBondContact O-N 2.94Å |
| 216 | R | 73.5 | Confident | 73.3 | Confident | 94 Ų | 94 | 59.4 Ų | 59.4 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 173.3 | -179.4 | -179.5 | 62.4 | 173.4 | -6.1 | 112.2 | D212 E213 L214 R238 | D212-R216 VanDerWaalsContact O-CB 3.25Å; D212-R216 WeakPolarHBondContact O-CB 3.46Å; D212-R216 PolarHBondContact O-N 3.43Å; E213-R216 PolarHBondContact O-N 3.21Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.31Å; R216-R238 HydrophobicContact CG-CG 4.26Å; R216-R238 VanDerWaalsContact NH1-CZ 3.34Å; R216-R238 VanDerWaalsContact NH1-NH2 3.12Å |
| 217 | H | 81 | Confident | 72.9 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 174.5 | 171.5 | 54.5 | 0 | 0 | 0 | 111.7 | C199 C204 F208 E213 L214 R219 T220 H221 | C199-H217 PolarHBondContact SG-NE2 3.12Å; C204-H217 PolarHBondContact SG-CE1 3.46Å; C204-H217 PolarHBondContact SG-NE2 3.13Å; F208-H217 HydrophobicContact CE1-CB 4.11Å; F208-H217 HydrophobicContact CE2-CB 3.7Å; F208-H217 AromaticContact CE2-CD2 3.25Å; F208-H217 WeakPolarHBondContact CE2-CD2 3.4Å; F208-H217 AromaticContact CE2-CG 3.53Å; F208-H217 HydrophobicContact CZ-CB 3.42Å; F208-H217 VanDerWaalsContact CZ-CB 3.42Å; F208-H217 AromaticContact CZ-CD2 3.52Å; F208-H217 AromaticContact CZ-CG 3.32Å; F208-H217 AromaticContact CZ-ND1 3.98Å; E213-H217 WeakPolarHBondContact O-CB 3.32Å; E213-H217 PolarHBondContact O-N 3.24Å; L214-H217 CarbonylContact O-C 3.5Å; L214-H217 WeakPolarHBondContact O-CA 3.17Å; L214-H217 WeakPolarHBondContact O-CB 3.27Å; L214-H217 PolarHBondContact O-N 3.19Å; H217-R219 PolarHBondContact O-N 2.89Å; H217-R219 VanDerWaalsContact O-N 3.16Å; H217-T220 PolarHBondContact ND1-OG1 2.91Å; H217-T220 WeakPolarHBondContact O-CB 3.34Å; H217-T220 PolarHBondContact O-N 3.48Å; H217-T220 PolarHBondContact O-OG1 3.03Å; H217-H221 AromaticContact CE1-CE1 3.97Å; H217-H221 AromaticContact CE1-NE2 3.51Å; H217-H221 AromaticContact NE2-NE2 3.24Å; H217-H221 PolarHBondContact NE2-NE2 3.38Å |
| 218 | Y | 74.1 | Confident | 72.9 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.4 | -33.7 | 178.3 | -163.9 | -95.4 | 0 | 0 | 0 | 112.4 | I67 W201 L214 A215 T220 H221 T222 | I67-Y218 HydrophobicContact CD1-CD1 3.68Å; I67-Y218 HydrophobicContact CD1-CE1 4.44Å; I67-Y218 HydrophobicContact CD1-CG 4.15Å; I67-Y218 HydrophobicContact CG1-CD1 4.23Å; W201-Y218 HydrophobicContact CE3-CE2 4.38Å; L214-Y218 PolarHBondContact O-N 3.28Å; A215-Y218 PolarHBondContact O-N 3.12Å; Y218-T220 PolarHBondContact O-N 3.24Å; Y218-T220 VanDerWaalsContact O-N 3.16Å; Y218-H221 WeakPolarHBondContact O-CB 3.43Å; Y218-H221 PolarHBondContact O-N 3.35Å; Y218-T222 HydrophobicContact CD1-CG2 3.98Å; Y218-T222 HydrophobicContact CE1-CG2 3.7Å; Y218-T222 PolarHBondContact O-N 2.87Å |
| 219 | R | 71.7 | Confident | 73 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -20 | 173.5 | -63 | 175.3 | -166.9 | -167 | -2.6 | 114.1 | S60 A215 H217 H221 T222 G223 | S60-R219 PolarHBondContact OG-NH1 3.48Å; S60-R219 PolarHBondContact OG-NH2 3.25Å; A215-R219 PolarHBondContact O-N 2.94Å; H217-R219 PolarHBondContact O-N 2.89Å; H217-R219 VanDerWaalsContact O-N 3.16Å; R219-H221 VanDerWaalsContact C-N 3.33Å; R219-T222 WeakPolarHBondContact CA-OG1 3.2Å; R219-T222 PolarHBondContact O-OG1 2.8Å; R219-G223 PolarHBondContact O-N 3.28Å |
| 220 | T | 72.4 | Confident | 73.1 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75.3 | -26.8 | 174.3 | 67.7 | 0 | 0 | 0 | 0 | 112 | H217 Y218 M237 | H217-T220 PolarHBondContact ND1-OG1 2.91Å; H217-T220 WeakPolarHBondContact O-CB 3.34Å; H217-T220 PolarHBondContact O-N 3.48Å; H217-T220 PolarHBondContact O-OG1 3.03Å; Y218-T220 PolarHBondContact O-N 3.24Å; Y218-T220 VanDerWaalsContact O-N 3.16Å; T220-M237 HydrophobicContact CG2-CE 4.18Å; T220-M237 HydrophobicContact CG2-SD 4.07Å |
| 221 | H | 71.6 | Confident | 73.3 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 21% | 0.213 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -77.8 | -41.3 | 174.2 | -64.6 | -48.8 | 0 | 0 | 0 | 111.8 | C199 W201 C204 H217 Y218 R219 G223 | C199-H221 VanDerWaalsContact SG-CD2 3.55Å; C199-H221 PolarHBondContact SG-NE2 3.03Å; W201-H221 AromaticContact CD1-CE1 3.96Å; W201-H221 HydrophobicContact CD2-CB 3.83Å; W201-H221 AromaticContact CD2-CG 3.73Å; W201-H221 HydrophobicContact CE3-CB 3.58Å; W201-H221 AromaticContact CE3-CG 3.89Å; W201-H221 AromaticContact CG-CD2 3.85Å; W201-H221 AromaticContact CG-CE1 3.91Å; W201-H221 AromaticContact CG-CG 3.89Å; W201-H221 AromaticContact CG-ND1 4Å; W201-H221 AromaticContact CG-NE2 3.86Å; W201-H221 HydrophobicContact CH2-CB 4.15Å; W201-H221 HydrophobicContact CZ2-CB 4.37Å; W201-H221 HydrophobicContact CZ3-CB 3.75Å; C204-H221 VanDerWaalsContact CB-CE1 3.45Å; C204-H221 WeakPolarHBondContact CB-CE1 3.46Å; C204-H221 WeakPolarHBondContact CB-NE2 3.3Å; C204-H221 VanDerWaalsContact SG-CE1 3.6Å; H217-H221 AromaticContact CE1-CE1 3.97Å; H217-H221 AromaticContact CE1-NE2 3.51Å; H217-H221 AromaticContact NE2-NE2 3.24Å; H217-H221 PolarHBondContact NE2-NE2 3.38Å; Y218-H221 WeakPolarHBondContact O-CB 3.43Å; Y218-H221 PolarHBondContact O-N 3.35Å; R219-H221 VanDerWaalsContact C-N 3.33Å; H221-G223 PolarHBondContact O-N 3.46Å |
| 222 | T | 69.9 | Low | 73.5 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -8 | -179.6 | 62.2 | 0 | 0 | 0 | 0 | 114 | Y218 R219 E224 | Y218-T222 HydrophobicContact CD1-CG2 3.98Å; Y218-T222 HydrophobicContact CE1-CG2 3.7Å; Y218-T222 PolarHBondContact O-N 2.87Å; R219-T222 WeakPolarHBondContact CA-OG1 3.2Å; R219-T222 PolarHBondContact O-OG1 2.8Å; T222-E224 PolarHBondContact O-N 3.2Å |
| 223 | G | 64.6 | Low | 73.6 | Confident | 44 Ų | 44 | 60 Ų | 60 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 10.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R219 H221 K225 | R219-G223 PolarHBondContact O-N 3.28Å; H221-G223 PolarHBondContact O-N 3.46Å; G223-K225 PolarHBondContact O-N 2.87Å |
| 224 | E | 60.8 | Low | 73.6 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | trans | -71.2 | 91.5 | -174.1 | -69.4 | -166.4 | 142.6 | 0 | 0 | 111.8 | T222 K226 | T222-E224 PolarHBondContact O-N 3.2Å; E224-K226 PolarHBondContact O-N 3.27Å; E224-K226 WeakPolarHBondContact OE2-CE 3.4Å; E224-K226 IonicContact OE2-NZ 2.76Å; E224-K226 PolarHBondContact OE2-NZ 3.25Å | ||
| 225 | K | 66.7 | Low | 73.3 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 45% | 0.452 | 36% | 0.36 | S | S | . | . | trans | -85.3 | 88.3 | 172.9 | -61.2 | 171.2 | 178.9 | 177.1 | 0 | 110.3 | G223 R235 F236 M237 | G223-K225 PolarHBondContact O-N 2.87Å; K225-R235 HydrophobicContact CB-CB 3.53Å; K225-R235 HydrophobicContact CD-CB 3.9Å; K225-R235 WeakPolarHBondContact CD-O 3.39Å; K225-R235 HydrophobicContact CG-CB 4.3Å; K225-R235 PolarHBondContact O-NE 3.03Å; K225-R235 VanDerWaalsContact O-NE 3.08Å; K225-R235 PolarHBondContact O-NH2 3.29Å; K225-F236 CarbonylContact C-O 3.37Å; K225-F236 WeakPolarHBondContact CA-O 3.45Å; K225-M237 HydrophobicContact CG-CG 3.79Å | ||
| 226 | K | 72.1 | Confident | 73.1 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | trans | -79.3 | -19.1 | -177.2 | -61.7 | -175 | -177.1 | 178.7 | 0 | 114.3 | E224 F236 | E224-K226 PolarHBondContact O-N 3.27Å; E224-K226 WeakPolarHBondContact OE2-CE 3.4Å; E224-K226 IonicContact OE2-NZ 2.76Å; E224-K226 PolarHBondContact OE2-NZ 3.25Å; K226-F236 PolarHBondContact N-O 2.99Å | ||
| 227 | F | 68.2 | Low | 72.9 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 104.5 | -170.9 | -60.9 | -78.3 | 0 | 0 | 0 | 111.5 | R235 F236 R238 L242 | F227-R235 CarbonylContact O-C 3.5Å; F227-R235 WeakPolarHBondContact O-CA 3.48Å; F227-F236 HydrophobicContact CB-CB 4.26Å; F227-F236 WeakPolarHBondContact CB-O 3.45Å; F227-F236 PolarHBondContact N-O 3.46Å; F227-F236 PolarHBondContact O-N 3.37Å; F227-R238 VanDerWaalsContact CD2-C 3.43Å; F227-L242 HydrophobicContact CB-CB 4.09Å; F227-L242 HydrophobicContact CB-CD2 3.9Å |
| 228 | S | 77.2 | Confident | 72.5 | Confident | 70 Ų | 70 | 74.1 Ų | 74.1 | 49% | 0.49 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 143.9 | 173.3 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | K234 L242 | S228-K234 CarbonylContact C-O 3.49Å; S228-K234 WeakPolarHBondContact CA-O 3.49Å; S228-L242 WeakPolarHBondContact O-CD2 3.36Å |
| 229 | C | 78.1 | Confident | 72.7 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | trans | -76.2 | 127.7 | 168 | -177.3 | 0 | 0 | 0 | 0 | 110 | I231 E233 K234 F236 L242 H245 H249 | C229-I231 PolarHBondContact O-N 3.4Å; C229-I231 PolarHBondContact SG-N 3.16Å; C229-E233 WeakPolarHBondContact O-CA 3.47Å; C229-E233 PolarHBondContact O-N 2.88Å; C229-K234 PolarHBondContact N-O 3.13Å; C229-F236 HydrophobicContact CB-CE2 4.25Å; C229-L242 VanDerWaalsContact CA-CD1 3.48Å; C229-L242 HydrophobicContact CB-CD1 3.77Å; C229-H245 VanDerWaalsContact SG-CD2 3.55Å; C229-H245 PolarHBondContact SG-NE2 3.32Å; C229-H245 VanDerWaalsContact SG-NE2 3.43Å; C229-H249 VanDerWaalsContact SG-CD2 3.51Å | ||
| 230 | P | 75.1 | Confident | 73.1 | Confident | 116 Ų | 116 | 74.7 Ų | 74.7 | 75% | 0.753 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -12.2 | 178.2 | 28.4 | -34.4 | 0 | 0 | 0 | 113.6 | ||
| 231 | I | 75.8 | Confident | 73.5 | Confident | 87 Ų | 87 | 75 Ų | 75 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -36 | -174.4 | -60.3 | 170.3 | 0 | 0 | 0 | 112 | C229 H249 | C229-I231 PolarHBondContact O-N 3.4Å; C229-I231 PolarHBondContact SG-N 3.16Å; I231-H249 HydrophobicContact CD1-CB 3.43Å; I231-H249 VanDerWaalsContact CD1-CB 3.43Å; I231-H249 HydrophobicContact CG2-CB 4.32Å |
| 232 | C | 80.3 | Confident | 74 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 31% | 0.311 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 10.5 | -177.1 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | K234 H245 H249 | C232-K234 PolarHBondContact O-N 3.35Å; C232-K234 VanDerWaalsContact SG-CG 3.59Å; C232-H245 VanDerWaalsContact SG-CE1 3.52Å; C232-H245 PolarHBondContact SG-NE2 3.28Å; C232-H249 PolarHBondContact SG-NE2 3.13Å |
| 233 | E | 76.6 | Confident | 74.6 | Confident | 162 Ų | 162 | 74.6 Ų | 74.6 | 76% | 0.757 | 38% | 0.384 | S | S | * | . | trans | 60.1 | 4.1 | 174.9 | -56.8 | -176.8 | 177.5 | 0 | 0 | 116 | C229 R235 | C229-E233 WeakPolarHBondContact O-CA 3.47Å; C229-E233 PolarHBondContact O-N 2.88Å; E233-R235 PolarHBondContact O-N 3.16Å | ||
| 234 | K | 76.5 | Confident | 75.4 | Confident | 127 Ų | 127 | 79 Ų | 79 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | trans | -58.6 | 127.7 | 175.6 | -72.4 | -176.9 | -175.7 | -168.5 | 0 | 110.7 | S228 C229 C232 F236 | S228-K234 CarbonylContact C-O 3.49Å; S228-K234 WeakPolarHBondContact CA-O 3.49Å; C229-K234 PolarHBondContact N-O 3.13Å; C232-K234 PolarHBondContact O-N 3.35Å; C232-K234 VanDerWaalsContact SG-CG 3.59Å; K234-F236 HydrophobicContact CB-CE2 3.77Å; K234-F236 HydrophobicContact CB-CZ 3.86Å; K234-F236 VanDerWaalsContact O-CD2 3.31Å; K234-F236 WeakPolarHBondContact O-CD2 3.12Å; K234-F236 VanDerWaalsContact O-CE2 3.22Å; K234-F236 WeakPolarHBondContact O-CE2 3.42Å | ||
| 235 | R | 76.1 | Confident | 76.5 | Confident | 158 Ų | 158 | 76.9 Ų | 76.9 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 131.8 | -178.7 | -51.6 | -179.1 | 66.4 | 123.3 | -1.6 | 111.1 | K225 F227 E233 | K225-R235 HydrophobicContact CB-CB 3.53Å; K225-R235 HydrophobicContact CD-CB 3.9Å; K225-R235 WeakPolarHBondContact CD-O 3.39Å; K225-R235 HydrophobicContact CG-CB 4.3Å; K225-R235 PolarHBondContact O-NE 3.03Å; K225-R235 VanDerWaalsContact O-NE 3.08Å; K225-R235 PolarHBondContact O-NH2 3.29Å; F227-R235 CarbonylContact O-C 3.5Å; F227-R235 WeakPolarHBondContact O-CA 3.48Å; E233-R235 PolarHBondContact O-N 3.16Å |
| 236 | F | 71.8 | Confident | 77.1 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.4 | -178.7 | -59.8 | -84.1 | 0 | 0 | 0 | 110 | K225 K226 F227 C229 K234 R238 H241 L242 H245 | K225-F236 CarbonylContact C-O 3.37Å; K225-F236 WeakPolarHBondContact CA-O 3.45Å; K226-F236 PolarHBondContact N-O 2.99Å; F227-F236 HydrophobicContact CB-CB 4.26Å; F227-F236 WeakPolarHBondContact CB-O 3.45Å; F227-F236 PolarHBondContact N-O 3.46Å; F227-F236 PolarHBondContact O-N 3.37Å; C229-F236 HydrophobicContact CB-CE2 4.25Å; K234-F236 HydrophobicContact CB-CE2 3.77Å; K234-F236 HydrophobicContact CB-CZ 3.86Å; K234-F236 VanDerWaalsContact O-CD2 3.31Å; K234-F236 WeakPolarHBondContact O-CD2 3.12Å; K234-F236 VanDerWaalsContact O-CE2 3.22Å; K234-F236 WeakPolarHBondContact O-CE2 3.42Å; F236-R238 VanDerWaalsContact C-N 3.31Å; F236-H241 HydrophobicContact CB-CB 4.26Å; F236-H241 HydrophobicContact CD1-CB 3.88Å; F236-H241 HydrophobicContact CG-CB 4.31Å; F236-L242 HydrophobicContact CB-CB 4.35Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.91Å; F236-L242 HydrophobicContact CE2-CD1 4.1Å; F236-L242 HydrophobicContact CG-CB 4.32Å; F236-H245 HydrophobicContact CE1-CB 4.04Å; F236-H245 HydrophobicContact CE2-CB 3.95Å; F236-H245 AromaticContact CE2-CD2 3.37Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.3Å; F236-H245 AromaticContact CE2-CG 3.62Å; F236-H245 AromaticContact CE2-NE2 3.95Å; F236-H245 HydrophobicContact CZ-CB 3.52Å; F236-H245 AromaticContact CZ-CD2 3.45Å; F236-H245 VanDerWaalsContact CZ-CD2 3.45Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.45Å; F236-H245 AromaticContact CZ-CG 3.21Å; F236-H245 AromaticContact CZ-ND1 3.61Å; F236-H245 AromaticContact CZ-NE2 3.91Å |
| 237 | M | 71.3 | Confident | 77.6 | Confident | 62 Ų | 62 | 78 Ų | 78 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -78.6 | -18 | 175.4 | -64.6 | 179.1 | -80.9 | 0 | 0 | 112.6 | T220 K225 | T220-M237 HydrophobicContact CG2-CE 4.18Å; T220-M237 HydrophobicContact CG2-SD 4.07Å; K225-M237 HydrophobicContact CG-CG 3.79Å |
| 238 | R | 70.7 | Confident | 77.9 | Confident | 68 Ų | 68 | 85 Ų | 85 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -133.6 | 143.7 | -177.6 | -56 | 164.4 | 41.9 | 174.1 | 2.8 | 111.7 | R216 F227 F236 D240 H241 L242 | R216-R238 HydrophobicContact CG-CG 4.26Å; R216-R238 VanDerWaalsContact NH1-CZ 3.34Å; R216-R238 VanDerWaalsContact NH1-NH2 3.12Å; F227-R238 VanDerWaalsContact CD2-C 3.43Å; F236-R238 VanDerWaalsContact C-N 3.31Å; R238-D240 VanDerWaalsContact C-N 3.33Å; R238-D240 WeakPolarHBondContact CB-OD1 3.36Å; R238-D240 IonicContact CZ-OD1 3.35Å; R238-D240 IonicContact CZ-OD2 3.33Å; R238-D240 IonicContact NE-OD1 2.75Å; R238-D240 PolarHBondContact NE-OD1 2.83Å; R238-D240 IonicContact NE-OD2 3.59Å; R238-D240 IonicContact NH2-OD1 3.82Å; R238-D240 PolarHBondContact NH2-OD1 3.07Å; R238-D240 VanDerWaalsContact NH2-OD1 3.17Å; R238-D240 IonicContact NH2-OD2 2.8Å; R238-D240 PolarHBondContact NH2-OD2 3.13Å; R238-D240 PolarHBondContact O-N 3.26Å; R238-H241 VanDerWaalsContact CD-CD2 3.42Å; R238-H241 WeakPolarHBondContact CD-CD2 3.43Å; R238-H241 VanDerWaalsContact CD-NE2 3.35Å; R238-H241 WeakPolarHBondContact CD-NE2 3.31Å; R238-H241 PolarHBondContact NE-NE2 3.23Å; R238-H241 PolarHBondContact NH1-NE2 2.8Å; R238-H241 PolarHBondContact O-N 3.21Å; R238-L242 PolarHBondContact O-N 3.01Å |
| 239 | S | 79.9 | Confident | 77.8 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 177.8 | 56 | 0 | 0 | 0 | 0 | 112.2 | H241 L242 T243 | S239-H241 VanDerWaalsContact C-N 3.32Å; S239-H241 PolarHBondContact O-N 3.42Å; S239-L242 WeakPolarHBondContact O-CB 3.27Å; S239-L242 PolarHBondContact O-N 3.34Å; S239-T243 PolarHBondContact O-N 2.89Å; S239-T243 PolarHBondContact O-OG1 3.15Å; S239-T243 VanDerWaalsContact O-OG1 3.07Å |
| 240 | D | 78.8 | Confident | 77.4 | Confident | 51 Ų | 51 | 85.9 Ų | 85.9 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.7 | -32.5 | 179 | 69.3 | -60.7 | 0 | 0 | 0 | 112.6 | R238 T243 K244 | R238-D240 VanDerWaalsContact C-N 3.33Å; R238-D240 WeakPolarHBondContact CB-OD1 3.36Å; R238-D240 IonicContact CZ-OD1 3.35Å; R238-D240 IonicContact CZ-OD2 3.33Å; R238-D240 IonicContact NE-OD1 2.75Å; R238-D240 PolarHBondContact NE-OD1 2.83Å; R238-D240 IonicContact NE-OD2 3.59Å; R238-D240 IonicContact NH2-OD1 3.82Å; R238-D240 PolarHBondContact NH2-OD1 3.07Å; R238-D240 VanDerWaalsContact NH2-OD1 3.17Å; R238-D240 IonicContact NH2-OD2 2.8Å; R238-D240 PolarHBondContact NH2-OD2 3.13Å; R238-D240 PolarHBondContact O-N 3.26Å; D240-T243 PolarHBondContact O-N 2.81Å; D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 VanDerWaalsContact O-CG 3.31Å; D240-K244 WeakPolarHBondContact O-CG 3.4Å; D240-K244 PolarHBondContact O-N 2.94Å |
| 241 | H | 80.3 | Confident | 76.8 | Confident | 76 Ų | 76 | 86.8 Ų | 86.8 | 35% | 0.352 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 171.1 | -67.7 | -48.8 | 0 | 0 | 0 | 111.4 | F236 R238 S239 T243 K244 H245 | F236-H241 HydrophobicContact CB-CB 4.26Å; F236-H241 HydrophobicContact CD1-CB 3.88Å; F236-H241 HydrophobicContact CG-CB 4.31Å; R238-H241 VanDerWaalsContact CD-CD2 3.42Å; R238-H241 WeakPolarHBondContact CD-CD2 3.43Å; R238-H241 VanDerWaalsContact CD-NE2 3.35Å; R238-H241 WeakPolarHBondContact CD-NE2 3.31Å; R238-H241 PolarHBondContact NE-NE2 3.23Å; R238-H241 PolarHBondContact NH1-NE2 2.8Å; R238-H241 PolarHBondContact O-N 3.21Å; S239-H241 VanDerWaalsContact C-N 3.32Å; S239-H241 PolarHBondContact O-N 3.42Å; H241-T243 VanDerWaalsContact C-N 3.34Å; H241-T243 PolarHBondContact O-N 2.97Å; H241-K244 PolarHBondContact O-N 3.06Å; H241-H245 WeakPolarHBondContact O-CB 3.32Å; H241-H245 PolarHBondContact O-N 3.5Å |
| 242 | L | 83 | Confident | 76.1 | Confident | 30 Ų | 30 | 90.5 Ų | 90.5 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 172.7 | 171.3 | 62.4 | 0 | 0 | 0 | 110.9 | F227 S228 C229 F236 R238 S239 K244 H245 A246 | F227-L242 HydrophobicContact CB-CB 4.09Å; F227-L242 HydrophobicContact CB-CD2 3.9Å; S228-L242 WeakPolarHBondContact O-CD2 3.36Å; C229-L242 VanDerWaalsContact CA-CD1 3.48Å; C229-L242 HydrophobicContact CB-CD1 3.77Å; F236-L242 HydrophobicContact CB-CB 4.35Å; F236-L242 HydrophobicContact CD2-CB 3.95Å; F236-L242 HydrophobicContact CD2-CD1 3.91Å; F236-L242 HydrophobicContact CE2-CD1 4.1Å; F236-L242 HydrophobicContact CG-CB 4.32Å; R238-L242 PolarHBondContact O-N 3.01Å; S239-L242 WeakPolarHBondContact O-CB 3.27Å; S239-L242 PolarHBondContact O-N 3.34Å; L242-K244 PolarHBondContact O-N 2.83Å; L242-H245 CarbonylContact O-C 3.59Å; L242-H245 WeakPolarHBondContact O-CB 3.37Å; L242-H245 PolarHBondContact O-N 2.75Å; L242-A246 VanDerWaalsContact O-CB 3.25Å; L242-A246 WeakPolarHBondContact O-CB 3.46Å; L242-A246 PolarHBondContact O-N 3.35Å |
| 243 | T | 81.9 | Confident | 74.9 | Confident | 70 Ų | 70 | 93.4 Ų | 93.4 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | S239 D240 H241 H245 A246 R247 | S239-T243 PolarHBondContact O-N 2.89Å; S239-T243 PolarHBondContact O-OG1 3.15Å; S239-T243 VanDerWaalsContact O-OG1 3.07Å; D240-T243 PolarHBondContact O-N 2.81Å; H241-T243 VanDerWaalsContact C-N 3.34Å; H241-T243 PolarHBondContact O-N 2.97Å; T243-H245 VanDerWaalsContact C-N 3.3Å; T243-H245 PolarHBondContact O-N 2.73Å; T243-A246 PolarHBondContact O-N 3.38Å; T243-R247 WeakPolarHBondContact O-CG 3.39Å; T243-R247 PolarHBondContact O-N 3.01Å |
| 244 | K | 82 | Confident | 73.7 | Confident | 138 Ų | 138 | 91.8 Ų | 91.8 | 60% | 0.6 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 175.7 | -74.5 | 177.6 | -178.2 | -176.5 | 0 | 111.8 | D240 H241 L242 R247 R248 | D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 VanDerWaalsContact O-CG 3.31Å; D240-K244 WeakPolarHBondContact O-CG 3.4Å; D240-K244 PolarHBondContact O-N 2.94Å; H241-K244 PolarHBondContact O-N 3.06Å; L242-K244 PolarHBondContact O-N 2.83Å; K244-R247 PolarHBondContact O-N 3.33Å; K244-R248 PolarHBondContact O-N 2.99Å |
| 245 | H | 84.1 | Confident | 72.6 | Confident | 32 Ų | 32 | 88.9 Ų | 88.9 | 15% | 0.148 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 176.2 | 171.3 | 74.6 | 0 | 0 | 0 | 112.4 | C229 C232 F236 H241 L242 T243 R247 R248 H249 | C229-H245 VanDerWaalsContact SG-CD2 3.55Å; C229-H245 PolarHBondContact SG-NE2 3.32Å; C229-H245 VanDerWaalsContact SG-NE2 3.43Å; C232-H245 VanDerWaalsContact SG-CE1 3.52Å; C232-H245 PolarHBondContact SG-NE2 3.28Å; F236-H245 HydrophobicContact CE1-CB 4.04Å; F236-H245 HydrophobicContact CE2-CB 3.95Å; F236-H245 AromaticContact CE2-CD2 3.37Å; F236-H245 WeakPolarHBondContact CE2-CD2 3.3Å; F236-H245 AromaticContact CE2-CG 3.62Å; F236-H245 AromaticContact CE2-NE2 3.95Å; F236-H245 HydrophobicContact CZ-CB 3.52Å; F236-H245 AromaticContact CZ-CD2 3.45Å; F236-H245 VanDerWaalsContact CZ-CD2 3.45Å; F236-H245 WeakPolarHBondContact CZ-CD2 3.45Å; F236-H245 AromaticContact CZ-CG 3.21Å; F236-H245 AromaticContact CZ-ND1 3.61Å; F236-H245 AromaticContact CZ-NE2 3.91Å; H241-H245 WeakPolarHBondContact O-CB 3.32Å; H241-H245 PolarHBondContact O-N 3.5Å; L242-H245 CarbonylContact O-C 3.59Å; L242-H245 WeakPolarHBondContact O-CB 3.37Å; L242-H245 PolarHBondContact O-N 2.75Å; T243-H245 VanDerWaalsContact C-N 3.3Å; T243-H245 PolarHBondContact O-N 2.73Å; H245-R247 VanDerWaalsContact C-N 3.26Å; H245-R247 PolarHBondContact O-N 2.82Å; H245-R248 WeakPolarHBondContact O-CA 3.35Å; H245-R248 VanDerWaalsContact O-CB 3.28Å; H245-R248 WeakPolarHBondContact O-CB 3.36Å; H245-R248 PolarHBondContact O-N 3.26Å; H245-H249 AromaticContact CD2-CD2 3.86Å; H245-H249 AromaticContact CD2-NE2 3.75Å; H245-H249 AromaticContact CE1-CD2 3.96Å; H245-H249 AromaticContact CE1-NE2 3.25Å; H245-H249 PolarHBondContact CE1-NE2 2.88Å; H245-H249 VanDerWaalsContact CE1-NE2 3.25Å; H245-H249 AromaticContact NE2-CD2 3.47Å; H245-H249 PolarHBondContact NE2-CD2 3.16Å; H245-H249 AromaticContact NE2-NE2 2.89Å; H245-H249 PolarHBondContact NE2-NE2 2.95Å; H245-H249 PolarHBondContact O-N 2.86Å |
| 246 | A | 80 | Confident | 71.6 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 29% | 0.289 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L242 T243 R248 H249 A250 | L242-A246 VanDerWaalsContact O-CB 3.25Å; L242-A246 WeakPolarHBondContact O-CB 3.46Å; L242-A246 PolarHBondContact O-N 3.35Å; T243-A246 PolarHBondContact O-N 3.38Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 3.19Å; A246-H249 CarbonylContact O-C 3.51Å; A246-H249 WeakPolarHBondContact O-CA 3.48Å; A246-H249 WeakPolarHBondContact O-CB 3.43Å; A246-H249 PolarHBondContact O-N 3.24Å; A246-H249 VanDerWaalsContact O-N 3.09Å; A246-A250 PolarHBondContact O-N 2.93Å |
| 247 | R | 81.4 | Confident | 70.8 | Confident | 169 Ų | 169 | 94.7 Ų | 94.7 | 64% | 0.638 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -35.2 | 170.7 | -72.1 | 175.2 | -172.4 | -158.8 | 1 | 112.6 | T243 K244 H245 H249 A250 N251 | T243-R247 WeakPolarHBondContact O-CG 3.39Å; T243-R247 PolarHBondContact O-N 3.01Å; K244-R247 PolarHBondContact O-N 3.33Å; H245-R247 VanDerWaalsContact C-N 3.26Å; H245-R247 PolarHBondContact O-N 2.82Å; R247-H249 VanDerWaalsContact C-N 3.25Å; R247-H249 PolarHBondContact O-N 3.15Å; R247-A250 WeakPolarHBondContact O-CB 3.49Å; R247-A250 PolarHBondContact O-N 3.26Å; R247-N251 VanDerWaalsContact O-CG 3.31Å; R247-N251 PolarHBondContact O-N 3.12Å; R247-N251 VanDerWaalsContact O-N 3.12Å; R247-N251 PolarHBondContact O-OD1 2.98Å |
| 248 | R | 75 | Confident | 69.7 | Low | 184 Ų | 184 | 100 Ų | 100 | 69% | 0.694 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -34.6 | 173.8 | -173.6 | -178.8 | -100.3 | -166.1 | -6.1 | 111.1 | K244 H245 A246 F252 | K244-R248 PolarHBondContact O-N 2.99Å; H245-R248 WeakPolarHBondContact O-CA 3.35Å; H245-R248 VanDerWaalsContact O-CB 3.28Å; H245-R248 WeakPolarHBondContact O-CB 3.36Å; H245-R248 PolarHBondContact O-N 3.26Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 3.19Å; R248-F252 WeakPolarHBondContact O-CD2 3.47Å |
| 249 | H | 74.6 | Confident | 68.5 | Low | 32 Ų | 32 | 108.5 Ų | 108.5 | 15% | 0.148 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -71.4 | -38.2 | 171 | -67.3 | -62.3 | 0 | 0 | 0 | 112.7 | C229 I231 C232 H245 A246 R247 N251 F252 H253 | C229-H249 VanDerWaalsContact SG-CD2 3.51Å; I231-H249 HydrophobicContact CD1-CB 3.43Å; I231-H249 VanDerWaalsContact CD1-CB 3.43Å; I231-H249 HydrophobicContact CG2-CB 4.32Å; C232-H249 PolarHBondContact SG-NE2 3.13Å; H245-H249 AromaticContact CD2-CD2 3.86Å; H245-H249 AromaticContact CD2-NE2 3.75Å; H245-H249 AromaticContact CE1-CD2 3.96Å; H245-H249 AromaticContact CE1-NE2 3.25Å; H245-H249 PolarHBondContact CE1-NE2 2.88Å; H245-H249 VanDerWaalsContact CE1-NE2 3.25Å; H245-H249 AromaticContact NE2-CD2 3.47Å; H245-H249 PolarHBondContact NE2-CD2 3.16Å; H245-H249 AromaticContact NE2-NE2 2.89Å; H245-H249 PolarHBondContact NE2-NE2 2.95Å; H245-H249 PolarHBondContact O-N 2.86Å; A246-H249 CarbonylContact O-C 3.51Å; A246-H249 WeakPolarHBondContact O-CA 3.48Å; A246-H249 WeakPolarHBondContact O-CB 3.43Å; A246-H249 PolarHBondContact O-N 3.24Å; A246-H249 VanDerWaalsContact O-N 3.09Å; R247-H249 VanDerWaalsContact C-N 3.25Å; R247-H249 PolarHBondContact O-N 3.15Å; H249-N251 PolarHBondContact O-N 2.91Å; H249-F252 CarbonylContact O-C 3.55Å; H249-F252 PolarHBondContact O-N 2.87Å; H249-H253 WeakPolarHBondContact O-CA 3.42Å; H249-H253 PolarHBondContact O-N 3.09Å |
| 250 | A | 69.6 | Low | 66.9 | Low | 59 Ų | 59 | 117.9 Ų | 117.9 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.3 | -31.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A246 R247 F252 | A246-A250 PolarHBondContact O-N 2.93Å; R247-A250 WeakPolarHBondContact O-CB 3.49Å; R247-A250 PolarHBondContact O-N 3.26Å; A250-F252 VanDerWaalsContact C-N 3.34Å |
| 251 | N | 62.7 | Low | 65.3 | Low | 134 Ų | 134 | 119 Ų | 119 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -19.3 | 175.3 | -61.7 | -16.3 | 0 | 0 | 0 | 113.6 | R247 H249 | R247-N251 VanDerWaalsContact O-CG 3.31Å; R247-N251 PolarHBondContact O-N 3.12Å; R247-N251 VanDerWaalsContact O-N 3.12Å; R247-N251 PolarHBondContact O-OD1 2.98Å; H249-N251 PolarHBondContact O-N 2.91Å |
| 252 | F | 61.1 | Low | 63.5 | Low | 165 Ų | 165 | 119.5 Ų | 119.5 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -18.4 | -177.7 | -88.5 | -86.8 | 0 | 0 | 0 | 113.9 | R248 H249 A250 | R248-F252 WeakPolarHBondContact O-CD2 3.47Å; H249-F252 CarbonylContact O-C 3.55Å; H249-F252 PolarHBondContact O-N 2.87Å; A250-F252 VanDerWaalsContact C-N 3.34Å |
| 253 | H | 55.3 | Low | 61.5 | Low | 107 Ų | 107 | 121.5 Ų | 121.5 | 50% | 0.495 | 65% | 0.649 | S | S | . | * | trans | -141.7 | 85.1 | -177.2 | -98.6 | -84.1 | 0 | 0 | 0 | 110.1 | H249 G255 | H249-H253 WeakPolarHBondContact O-CA 3.42Å; H249-H253 PolarHBondContact O-N 3.09Å; H253-G255 PolarHBondContact O-N 2.72Å; H253-G255 VanDerWaalsContact O-N 3.09Å | ||
| 254 | P | 52.2 | Low | 59.3 | Low | 129 Ų | 129 | 124.1 Ų | 124.1 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 10.6 | 175.4 | -13 | 28.7 | 0 | 0 | 0 | 114.6 | ||
| 255 | G | 53.9 | Low | 57.8 | Low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | 1.3 | -155.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | H253 | H253-G255 PolarHBondContact O-N 2.72Å; H253-G255 VanDerWaalsContact O-N 3.09Å |
| 256 | M | 55.2 | Low | 56.1 | Low | 152 Ų | 152 | 134.1 Ų | 134.1 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | trans | -110.8 | 18 | -174.6 | -68.5 | -141.6 | 75.7 | 0 | 0 | 115.5 | Q258 | M256-Q258 PolarHBondContact O-N 3.21Š| ||
| 257 | L | 54 | Low | 54.3 | Low | 171 Ų | 171 | 136.1 Ų | 136.1 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | trans | -75.7 | 44.1 | 174.9 | -148.9 | 94.4 | 0 | 0 | 0 | 112.5 | ||||
| 258 | Q | 47.4 | Very low | 52.6 | Low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -155 | 79.6 | 177.1 | -144.5 | 93.4 | 48.9 | 0 | 0 | 111.3 | M256 | M256-Q258 PolarHBondContact O-N 3.21Š| ||
| 259 | R | 47.1 | Very low | 51.2 | Low | 246 Ų | 246 | 132.8 Ų | 132.8 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -159.5 | 94 | 141.4 | -107.1 | 168.1 | -153.9 | -72.3 | 1 | 110.5 | ||||
| 260 | R | 46.2 | Very low | 49.6 | Very low | 256 Ų | 256 | 135.3 Ų | 135.3 | 97% | 0.966 | 78% | 0.781 | S | S | * | * | trans | -61.9 | 131 | 159 | -168.2 | 177.7 | -173.3 | -112.4 | 4.3 | 107.7 | ||||
| 261 | G | 44.9 | Very low | 48.3 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 134.1 | 106.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 262 | G | 42.7 | Very low | 47.2 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 88.7 | 135.6 | 134 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 263 | G | 41.1 | Very low | 46.3 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 112.3 | 80.6 | 149 | 0 | 0 | 0 | 0 | 0 | 115.7 | R265 | G263-R265 PolarHBondContact O-N 3.2Å; G263-R265 VanDerWaalsContact O-N 3.16Å | ||
| 264 | S | 34.5 | Very low | 45.7 | Very low | 126 Ų | 126 | 148 Ų | 148 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | trans | -46.8 | 115.1 | 143.6 | -110.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 265 | R | 51.8 | Low | 45.7 | Very low | 236 Ų | 236 | 147.2 Ų | 147.2 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -139.3 | 103.8 | 154 | -72.4 | -164.2 | 165.5 | -164.6 | -5.2 | 108.8 | G263 G267 | G263-R265 PolarHBondContact O-N 3.2Å; G263-R265 VanDerWaalsContact O-N 3.16Å; R265-G267 PolarHBondContact O-N 2.96Å | ||
| 266 | T | 47.7 | Very low | 45.3 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -40.5 | 114.8 | 162.4 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 267 | G | 41.5 | Very low | 44.6 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -106.8 | 109.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | R265 | R265-G267 PolarHBondContact O-N 2.96Š| ||
| 268 | S | 47.3 | Very low | 44.2 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -52.3 | 151.4 | -179 | -173.4 | 0 | 0 | 0 | 0 | 113.4 | S270 | S268-S270 PolarHBondContact O-N 3.19Å; S268-S270 VanDerWaalsContact O-N 3.14Å | ||
| 269 | L | 44.2 | Very low | 44.4 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -60.4 | 104.5 | 167.3 | -67 | 163.3 | 0 | 0 | 0 | 110.1 | ||
| 270 | S | 41.4 | Very low | 44.7 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 60% | 0.601 | 81% | 0.811 | S | S | * | * | trans | -172.6 | 153.2 | 156.4 | 49.2 | 0 | 0 | 0 | 0 | 107 | S268 | S268-S270 PolarHBondContact O-N 3.19Å; S268-S270 VanDerWaalsContact O-N 3.14Å | ||
| 271 | D | 41.8 | Very low | 44.7 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 89.9 | 31.7 | 170.9 | -44 | -58.1 | 0 | 0 | 0 | 118.8 | ||||
| 272 | Y | 40.3 | Very low | 45.2 | Very low | 234 Ų | 234 | 133.7 Ų | 133.7 | 92% | 0.918 | 81% | 0.806 | S | S | * | * | trans | -102.6 | 69.9 | 146.1 | -170.1 | -104.5 | 0 | 0 | 0 | 109.5 | ||||
| 273 | S | 41.1 | Very low | 45.8 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -153.8 | 123.9 | 163.9 | -79.4 | 0 | 0 | 0 | 0 | 107.3 | ||
| 274 | R | 43.1 | Very low | 46.4 | Very low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | 86 | 87.9 | -178.7 | -59.8 | 175.9 | 135.2 | 155.9 | -4.7 | 116.3 | ||||
| 275 | S | 51.9 | Low | 47.4 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -133.1 | 95.3 | 130.1 | -50.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 276 | D | 47 | Very low | 47.7 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | 46.7 | 104.3 | 140.4 | -51.7 | -69.5 | 0 | 0 | 0 | 116.6 | ||||
| 277 | A | 39.3 | Very low | 48.4 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | 43.2 | 69 | 68.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 278 | S | 46.9 | Very low | 49.8 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -146.3 | 80.7 | 152.7 | -68.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 279 | S | 50.7 | Low | 49.9 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -62.8 | 127.7 | 156.6 | -60.2 | 0 | 0 | 0 | 0 | 107.9 | T281 | S279-T281 PolarHBondContact O-N 3.35Å; S279-T281 VanDerWaalsContact O-N 3.16Å | ||
| 280 | P | 53.8 | Low | 50.2 | Low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -78.5 | 96.4 | 162.5 | 30.5 | -28 | 0 | 0 | 0 | 107.8 | ||||
| 281 | T | 45 | Very low | 50.7 | Low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -87.2 | 96.7 | 157.2 | -27.3 | 0 | 0 | 0 | 0 | 106.3 | S279 | S279-T281 PolarHBondContact O-N 3.35Å; S279-T281 VanDerWaalsContact O-N 3.16Å | ||
| 282 | I | 56.8 | Low | 51.2 | Low | 157 Ų | 157 | 136.1 Ų | 136.1 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | trans | -126.8 | 125.6 | 166.3 | -59.6 | 177.8 | 0 | 0 | 0 | 107.2 | ||||
| 283 | S | 54.8 | Low | 51.9 | Low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -53 | 159 | -161.1 | -49.2 | 0 | 0 | 0 | 0 | 117.5 | A285 | S283-A285 PolarHBondContact O-N 3.07Š| ||
| 284 | P | 54.3 | Low | 52.6 | Low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -73.2 | 126.2 | 166.5 | 31.8 | -30.9 | 0 | 0 | 0 | 109.4 | ||||
| 285 | A | 55.7 | Low | 53.3 | Low | 100 Ų | 100 | 123.8 Ų | 123.8 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -98.7 | 109.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S283 | S283-A285 PolarHBondContact O-N 3.07Š| ||
| 286 | S | 57.5 | Low | 53.4 | Low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -61.1 | 138.5 | 162.3 | -53 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 287 | S | 61.5 | Low | 54 | Low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | trans | -132.9 | 147.6 | 155.6 | -88.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 288 | P | 71.2 | Confident | 55.3 | Low | 202 Ų | 202 | 126.3 Ų | 126.3 | 100% | 1.312 | 84% | 0.837 | S | S | * | * | trans | -66.5 | 0 | -152.1 | 27.6 | -37.6 | 0 | 0 | 0 | 115.8 |
Retrieved 288 of 288 residues in 112.5 ms
(Link to these results)