| 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 | 64.1 | Low | 53.2 | Low | 232 Ų | 232 | 139.7 Ų | 139.7 | 100% | 1.143 | 84% | 0.836 | S | S | * | * | 0 | 103.5 | 0 | -65.6 | 67.7 | 175 | 0 | 0 | 106 | |||||
| 2 | A | 49.8 | Very low | 52.3 | Low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | 80 | 100.9 | 72.4 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 3 | M | 60.5 | Low | 51.6 | Low | 182 Ų | 182 | 131.7 Ų | 131.7 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -86.3 | 162.7 | 166.9 | -65.2 | -74.9 | -176.9 | 0 | 0 | 109.9 | ||||
| 4 | P | 67.7 | Low | 50.8 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | -139.7 | 150.2 | 111.1 | 34 | -20.1 | 0 | 0 | 0 | 112.6 | |||||
| 5 | Y | 52.6 | Low | 50.1 | Low | 218 Ų | 218 | 131 Ų | 131 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | cis | 101.9 | 103.7 | 36.6 | -148.1 | -74 | 0 | 0 | 0 | 113.3 | ||||
| 6 | A | 53.8 | Low | 49.6 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | 172.3 | 96.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 7 | S | 47.7 | Very low | 48.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 83% | 0.831 | S | S | * | * | 73.2 | 103 | 75.2 | -167.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 8 | L | 52.2 | Low | 48.1 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | -172.8 | 138.9 | 116.1 | -93.8 | 164.7 | 0 | 0 | 0 | 111.5 | |||||
| 9 | S | 43.1 | Very low | 47.6 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -153 | 168.6 | 173.9 | -103.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 10 | P | 48.2 | Very low | 47.3 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -147.1 | -172.8 | 32 | 42.7 | -22.5 | 0 | 0 | 0 | 116.5 | ||||
| 11 | A | 45.9 | Very low | 46.9 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 63.4 | 146.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 12 | G | 41.5 | Very low | 45.9 | Very low | 67 Ų | 67 | 128.3 Ų | 128.3 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | cis | 172.5 | 172.1 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 13 | A | 43.6 | Very low | 45.4 | Very low | 108 Ų | 108 | 127 Ų | 127 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | 62.5 | 134.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 14 | A | 40.1 | Very low | 44.5 | Very low | 90 Ų | 90 | 123.6 Ų | 123.6 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -82.9 | 149.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 15 | D | 40.6 | Very low | 43.4 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -161.2 | 126.6 | 141.5 | -105.5 | -33 | 0 | 0 | 0 | 111.9 | R17 | D15-R17 PolarHBondContact O-N 3.45Å; D15-R17 VanDerWaalsContact O-N 3.07Å | ||
| 16 | H | 41.6 | Very low | 43.3 | Very low | 192 Ų | 192 | 119.3 Ų | 119.3 | 89% | 0.889 | 77% | 0.766 | S | S | * | * | trans | -78.3 | 89.5 | 178.5 | -99.8 | -86.5 | 0 | 0 | 0 | 110.7 | S18 | H16-S18 PolarHBondContact O-N 2.92Š| ||
| 17 | R | 33.4 | Very low | 43 | Very low | 223 Ų | 223 | 121.4 Ų | 121.4 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -102.1 | 63.8 | 179.7 | -154.6 | 177.2 | -179.2 | -152 | -0.6 | 113.7 | D15 S19 | D15-R17 PolarHBondContact O-N 3.45Å; D15-R17 VanDerWaalsContact O-N 3.07Å; R17-S19 PolarHBondContact O-N 3.16Å | ||
| 18 | S | 40.1 | Very low | 42.8 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -96.6 | 62.7 | 163.9 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | H16 T20 | H16-S18 PolarHBondContact O-N 2.92Å; S18-T20 PolarHBondContact O-N 3.23Å | ||
| 19 | S | 37.5 | Very low | 42.4 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -77.3 | 74.6 | 171.6 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | R17 A21 | R17-S19 PolarHBondContact O-N 3.16Å; S19-A21 PolarHBondContact O-N 3.19Å | ||
| 20 | T | 41.5 | Very low | 42.5 | Very low | 125 Ų | 125 | 129 Ų | 129 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -69.5 | 86.4 | 166.4 | -27 | 0 | 0 | 0 | 0 | 107.7 | S18 T22 | S18-T20 PolarHBondContact O-N 3.23Å; T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.32Å | ||
| 21 | A | 39.2 | Very low | 42.3 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -69 | 85 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S19 A23 | S19-A21 PolarHBondContact O-N 3.19Å; A21-A23 VanDerWaalsContact C-N 3.28Å; A21-A23 PolarHBondContact O-N 3.49Å | ||
| 22 | T | 43 | Very low | 42.6 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | -62.1 | 96.5 | 160.7 | 46.2 | 0 | 0 | 0 | 0 | 107.3 | T20 S24 | T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.32Å; T22-S24 PolarHBondContact O-N 2.96Å; T22-S24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | A | 39.3 | Very low | 42.8 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 61% | 0.612 | 78% | 0.781 | S | S | * | * | trans | -55 | 116.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A21 L25 | A21-A23 VanDerWaalsContact C-N 3.28Å; A21-A23 PolarHBondContact O-N 3.49Å; A23-L25 HydrophobicContact CB-CG 4.37Å; A23-L25 PolarHBondContact O-N 3.32Å | ||
| 24 | S | 41 | Very low | 43.1 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -71.8 | 80.1 | 178.2 | -168.4 | 0 | 0 | 0 | 0 | 109.6 | T22 V26 | T22-S24 PolarHBondContact O-N 2.96Å; T22-S24 VanDerWaalsContact O-N 3.08Å; S24-V26 PolarHBondContact O-N 3.41Å | ||
| 25 | L | 46 | Very low | 43.3 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -79.9 | 57.2 | 178.5 | -76.4 | 169.2 | 0 | 0 | 0 | 111.3 | A23 | A23-L25 HydrophobicContact CB-CG 4.37Å; A23-L25 PolarHBondContact O-N 3.32Å | ||
| 26 | V | 49.2 | Very low | 43.6 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 56% | 0.564 | 79% | 0.787 | S | S | * | * | trans | -148.9 | 102.5 | 164.9 | -90.3 | 0 | 0 | 0 | 0 | 110.7 | S24 F28 | S24-V26 PolarHBondContact O-N 3.41Å; V26-F28 PolarHBondContact O-N 2.85Å | ||
| 27 | P | 47.2 | Very low | 43.7 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -80.5 | 64.7 | 166.9 | 35 | -33.7 | 0 | 0 | 0 | 109.5 | ||||
| 28 | F | 44.6 | Very low | 44 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -126.2 | 130 | 178.4 | -113.2 | -99.7 | 0 | 0 | 0 | 110.5 | V26 | V26-F28 PolarHBondContact O-N 2.85Š| ||
| 29 | C | 43.2 | Very low | 44.5 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 63 | 68.1 | 174.4 | -53.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 30 | R | 45.1 | Very low | 44.7 | Very low | 239 Ų | 239 | 125.5 Ų | 125.5 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -107.3 | 79.6 | 161.6 | -155.3 | 175.7 | -172.6 | -179.4 | 1 | 110.6 | T32 | R30-T32 PolarHBondContact O-N 3.16Å; R30-T32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | S | 44.4 | Very low | 45.1 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -71.6 | 101.6 | 175.6 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 32 | T | 52.3 | Low | 45.3 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -78.2 | 124.7 | 169.9 | 14.8 | 0 | 0 | 0 | 0 | 110.3 | R30 L34 | R30-T32 PolarHBondContact O-N 3.16Å; R30-T32 VanDerWaalsContact O-N 3.16Å; T32-L34 PolarHBondContact O-N 3.49Å | ||
| 33 | P | 46.2 | Very low | 45.7 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -72.3 | 120.8 | 168.5 | 29.6 | -31.6 | 0 | 0 | 0 | 109.2 | S35 | P33-S35 PolarHBondContact O-N 3.2Å; P33-S35 VanDerWaalsContact O-N 3.16Å | ||
| 34 | L | 48.9 | Very low | 45.8 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -74.9 | 100.9 | 170.1 | -79.7 | 164.2 | 0 | 0 | 0 | 108.8 | T32 A36 | T32-L34 PolarHBondContact O-N 3.49Å; L34-A36 PolarHBondContact O-N 3.32Å | ||
| 35 | S | 45.7 | Very low | 46.1 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -75.6 | 118.3 | 171.7 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | P33 | P33-S35 PolarHBondContact O-N 3.2Å; P33-S35 VanDerWaalsContact O-N 3.16Å | ||
| 36 | A | 45.3 | Very low | 46 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -105 | 100.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L34 | L34-A36 PolarHBondContact O-N 3.32Š| ||
| 37 | G | 45.4 | Very low | 45.6 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | trans | -108.7 | 141.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 38 | G | 39.5 | Very low | 45.8 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | cis | 113.9 | 69 | 22.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 39 | G | 49 | Very low | 45.9 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | -141.3 | 116.7 | -177 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 40 | L | 43.7 | Very low | 46.2 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 97% | 0.969 | 84% | 0.842 | S | S | * | * | trans | -83.3 | 145.8 | 177.9 | -66 | 160.9 | 0 | 0 | 0 | 109.7 | ||||
| 41 | G | 48.2 | Very low | 46.7 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -174.2 | 94.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | E | 44 | Very low | 47 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -70.9 | 136.7 | 170.5 | -68.6 | 151.3 | 84.5 | 0 | 0 | 109.9 | ||||
| 43 | E | 52.2 | Low | 47.1 | Very low | 199 Ų | 199 | 135 Ų | 135 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | trans | -170.9 | 148 | 132.2 | -106.4 | 179.1 | 104.3 | 0 | 0 | 111.4 | ||||
| 44 | D | 41 | Very low | 47.7 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | trans | -68.6 | 132 | -173.4 | -108.3 | -75.4 | 0 | 0 | 0 | 114 | ||||
| 45 | A | 47.6 | Very low | 48.4 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | trans | -178.8 | 108.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A47 | A45-A47 PolarHBondContact O-N 3.31Š| ||
| 46 | Q | 43.1 | Very low | 49.1 | Very low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | 43.1 | 41.4 | 135 | -154.9 | 84.5 | 10.6 | 0 | 0 | 118.5 | S48 | Q46-S48 PolarHBondContact O-N 3.08Š| ||
| 47 | A | 41.2 | Very low | 50.2 | Low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -87.2 | 93.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A45 | A45-A47 PolarHBondContact O-N 3.31Š| ||
| 48 | S | 50.6 | Low | 51.5 | Low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -49.2 | 142 | 162.7 | 179 | 0 | 0 | 0 | 0 | 110.4 | Q46 R50 | Q46-S48 PolarHBondContact O-N 3.08Å; S48-R50 PolarHBondContact O-N 3.38Å | ||
| 49 | A | 47.1 | Very low | 53.4 | Low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -60.7 | 67.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | W51 | A49-W51 PolarHBondContact O-N 3.2Š| ||
| 50 | R | 49.6 | Very low | 55 | Low | 230 Ų | 230 | 137.4 Ų | 137.4 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -85.1 | 91.4 | 169.3 | -176.1 | 178 | -71.4 | -174.1 | -1.7 | 106.7 | S48 | S48-R50 PolarHBondContact O-N 3.38Š| ||
| 51 | W | 55 | Low | 57.2 | Low | 229 Ų | 229 | 132.1 Ų | 132.1 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | trans | -41.2 | 126.7 | 161.4 | -73 | 85.1 | 0 | 0 | 0 | 108.1 | A49 A53 | A49-W51 PolarHBondContact O-N 3.2Å; W51-A53 PolarHBondContact O-N 3.15Å; W51-A53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | P | 51.7 | Low | 59.1 | Low | 111 Ų | 111 | 133.8 Ų | 133.8 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -55 | 127.7 | 178.5 | 23.7 | -32.8 | 0 | 0 | 0 | 106.6 | A54 | P52-A54 PolarHBondContact O-N 3.09Š| ||
| 53 | A | 55 | Low | 61.2 | Low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -63 | 88.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | W51 R55 | W51-A53 PolarHBondContact O-N 3.15Å; W51-A53 VanDerWaalsContact O-N 3.11Å; A53-R55 PolarHBondContact O-N 3.22Å | ||
| 54 | A | 58.9 | Low | 63 | Low | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | trans | -60.9 | 113.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | P52 P56 | P52-A54 PolarHBondContact O-N 3.09Å; A54-P56 VanDerWaalsContact O-N 3.16Å | ||
| 55 | R | 62.2 | Low | 65.4 | Low | 220 Ų | 220 | 118.4 Ų | 118.4 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | trans | -45.9 | 127.3 | 172 | -63.7 | 174 | 65.6 | -136.6 | 0.6 | 106.1 | A53 V57 | A53-R55 PolarHBondContact O-N 3.22Å; R55-V57 PolarHBondContact O-N 2.84Å | ||
| 56 | P | 60.6 | Low | 67.4 | Low | 117 Ų | 117 | 121.1 Ų | 121.1 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | trans | -53.1 | 111.2 | -171.5 | 19.4 | -31.9 | 0 | 0 | 0 | 108.4 | A54 V58 | A54-P56 VanDerWaalsContact O-N 3.16Å; P56-V58 PolarHBondContact O-N 3.15Å | ||
| 57 | V | 68.4 | Low | 69.6 | Low | 127 Ų | 127 | 115.5 Ų | 115.5 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | trans | -71.3 | 91.8 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 104.8 | R55 P59 | R55-V57 PolarHBondContact O-N 2.84Å; V57-P59 WeakPolarHBondContact O-CD 3.39Å; V57-P59 VanDerWaalsContact O-N 3.08Å | ||
| 58 | V | 72.4 | Confident | 72 | Confident | 100 Ų | 100 | 113.3 Ų | 113.3 | 61% | 0.606 | 63% | 0.627 | S | S | * | * | trans | -62.5 | 111.9 | 171.8 | -170.5 | 0 | 0 | 0 | 0 | 105 | P56 F60 Y65 | P56-V58 PolarHBondContact O-N 3.15Å; V58-F60 WeakPolarHBondContact CG1-O 3.44Å; V58-F60 PolarHBondContact O-N 2.84Å; V58-F60 VanDerWaalsContact O-N 3.11Å; V58-Y65 HydrophobicContact CG1-CE2 4.15Å | ||
| 59 | P | 80.1 | Confident | 74 | Confident | 85 Ų | 85 | 111.3 Ų | 111.3 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -69.8 | -15.3 | -165.2 | 26.9 | -34.3 | 0 | 0 | 0 | 112.5 | V57 | V57-P59 WeakPolarHBondContact O-CD 3.39Å; V57-P59 VanDerWaalsContact O-N 3.08Å |
| 60 | F | 82.6 | Confident | 76.1 | Confident | 82 Ų | 82 | 108.7 Ų | 108.7 | 36% | 0.36 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -137.1 | 141.6 | -179.6 | -59.3 | -67.2 | 0 | 0 | 0 | 110.8 | V58 Q64 Y65 L68 | V58-F60 WeakPolarHBondContact CG1-O 3.44Å; V58-F60 PolarHBondContact O-N 2.84Å; V58-F60 VanDerWaalsContact O-N 3.11Å; F60-Q64 HydrophobicContact CB-CB 3.79Å; F60-Q64 HydrophobicContact CD1-CB 3.99Å; F60-Q64 HydrophobicContact CG-CB 4.3Å; F60-Y65 HydrophobicContact CB-CD2 3.71Å; F60-Y65 HydrophobicContact CB-CE1 4.43Å; F60-Y65 HydrophobicContact CB-CE2 3.63Å; F60-Y65 HydrophobicContact CB-CG 4.17Å; F60-Y65 HydrophobicContact CD2-CD1 4.49Å; F60-Y65 AromaticContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE2 4.43Å; F60-Y65 AromaticContact CD2-CZ 3.92Å; F60-Y65 WeakPolarHBondContact O-CE2 3.35Å; F60-L68 HydrophobicContact CE2-CD2 4.4Å |
| 61 | T | 89.3 | Confident | 78.2 | Confident | 74 Ų | 74 | 102.3 Ų | 102.3 | 45% | 0.454 | 56% | 0.557 | S | S | . | * | trans | -65.9 | 159.1 | 163.3 | 59 | 0 | 0 | 0 | 0 | 110.5 | A63 Q64 Y65 | T61-A63 PolarHBondContact O-N 3.5Å; T61-Q64 WeakPolarHBondContact O-CA 3.46Å; T61-Q64 WeakPolarHBondContact O-CB 3.38Å; T61-Q64 PolarHBondContact O-N 3.46Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.29Å; T61-Q64 PolarHBondContact OG1-N 3.28Å; T61-Q64 PolarHBondContact OG1-OE1 3.4Å; T61-Y65 PolarHBondContact O-N 3.04Å | ||
| 62 | P | 88.9 | Confident | 80 | Confident | 114 Ų | 114 | 92 Ų | 92 | 74% | 0.74 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.1 | -37.8 | 177.2 | -28.1 | 36 | 0 | 0 | 0 | 113.6 | Q64 Y65 Q66 | P62-Q64 PolarHBondContact O-N 2.89Å; P62-Y65 PolarHBondContact O-N 3.49Å; P62-Q66 PolarHBondContact O-N 2.9Å |
| 63 | A | 87.5 | Confident | 82 | Confident | 68 Ų | 68 | 90.6 Ų | 90.6 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.8 | -33.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T61 Q66 E67 | T61-A63 PolarHBondContact O-N 3.5Å; A63-Q66 PolarHBondContact O-N 3.24Å; A63-E67 PolarHBondContact O-N 2.99Å |
| 64 | Q | 90.5 | Very high | 83.8 | Confident | 96 Ų | 96 | 86.8 Ų | 86.8 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72 | -33.3 | 173.8 | -76.7 | 166.9 | -53.6 | 0 | 0 | 112.2 | F60 T61 P62 L68 | F60-Q64 HydrophobicContact CB-CB 3.79Å; F60-Q64 HydrophobicContact CD1-CB 3.99Å; F60-Q64 HydrophobicContact CG-CB 4.3Å; T61-Q64 WeakPolarHBondContact O-CA 3.46Å; T61-Q64 WeakPolarHBondContact O-CB 3.38Å; T61-Q64 PolarHBondContact O-N 3.46Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.29Å; T61-Q64 PolarHBondContact OG1-N 3.28Å; T61-Q64 PolarHBondContact OG1-OE1 3.4Å; P62-Q64 PolarHBondContact O-N 2.89Å; Q64-L68 VanDerWaalsContact O-CB 3.31Å; Q64-L68 WeakPolarHBondContact O-CB 3.43Å; Q64-L68 PolarHBondContact O-N 3.45Å |
| 65 | Y | 91.2 | Very high | 85.5 | Confident | 69 Ų | 69 | 87.8 Ų | 87.8 | 27% | 0.271 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 170.5 | -84.8 | -68.5 | 0 | 0 | 0 | 111.5 | V58 F60 T61 P62 E67 L68 E69 L353 | V58-Y65 HydrophobicContact CG1-CE2 4.15Å; F60-Y65 HydrophobicContact CB-CD2 3.71Å; F60-Y65 HydrophobicContact CB-CE1 4.43Å; F60-Y65 HydrophobicContact CB-CE2 3.63Å; F60-Y65 HydrophobicContact CB-CG 4.17Å; F60-Y65 HydrophobicContact CD2-CD1 4.49Å; F60-Y65 AromaticContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE2 4.43Å; F60-Y65 AromaticContact CD2-CZ 3.92Å; F60-Y65 WeakPolarHBondContact O-CE2 3.35Å; T61-Y65 PolarHBondContact O-N 3.04Å; P62-Y65 PolarHBondContact O-N 3.49Å; Y65-E67 PolarHBondContact O-N 3.23Å; Y65-L68 WeakPolarHBondContact O-CB 3.24Å; Y65-L68 PolarHBondContact O-N 3.42Å; Y65-E69 WeakPolarHBondContact O-CG 3.46Å; Y65-E69 PolarHBondContact O-N 3.07Å; Y65-L353 HydrophobicContact CD1-CD1 3.84Å; Y65-L353 HydrophobicContact CE1-CD1 4.32Å |
| 66 | Q | 90.5 | Very high | 87 | Confident | 138 Ų | 138 | 82.3 Ų | 82.3 | 65% | 0.645 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 176.9 | -172.8 | -179.4 | 0 | 0 | 0 | 112.7 | P62 A63 E69 Q70 | P62-Q66 PolarHBondContact O-N 2.9Å; A63-Q66 PolarHBondContact O-N 3.24Å; Q66-E69 PolarHBondContact O-N 2.82Å; Q66-Q70 PolarHBondContact O-N 3.29Å |
| 67 | E | 88.5 | Confident | 88.5 | Confident | 78 Ų | 78 | 81 Ų | 81 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 173.9 | 178.3 | 59.7 | -152.7 | 0 | 0 | 111.5 | A63 Y65 E69 Q70 Q71 | A63-E67 PolarHBondContact O-N 2.99Å; Y65-E67 PolarHBondContact O-N 3.23Å; E67-E69 PolarHBondContact O-N 3.44Å; E67-Q70 PolarHBondContact O-N 3.24Å; E67-Q70 PolarHBondContact OE2-NE2 3.07Å; E67-Q71 VanDerWaalsContact O-CG 3.3Å; E67-Q71 WeakPolarHBondContact O-CG 3.45Å; E67-Q71 PolarHBondContact O-N 3.49Å; E67-Q71 PolarHBondContact OE1-NE2 3.12Å |
| 68 | L | 92.1 | Very high | 89.8 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 28% | 0.283 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.9 | -174.3 | 68.7 | 0 | 0 | 0 | 111.8 | F60 Q64 Y65 Q71 A72 F357 | F60-L68 HydrophobicContact CE2-CD2 4.4Å; Q64-L68 VanDerWaalsContact O-CB 3.31Å; Q64-L68 WeakPolarHBondContact O-CB 3.43Å; Q64-L68 PolarHBondContact O-N 3.45Å; Y65-L68 WeakPolarHBondContact O-CB 3.24Å; Y65-L68 PolarHBondContact O-N 3.42Å; L68-Q71 PolarHBondContact O-N 3.31Å; L68-A72 WeakPolarHBondContact O-CB 3.4Å; L68-A72 PolarHBondContact O-N 2.88Å; L68-F357 HydrophobicContact CD2-CZ 4.4Å |
| 69 | E | 92.5 | Very high | 90.9 | Very high | 69 Ų | 69 | 80 Ų | 80 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 173.3 | -76 | 177.8 | -175.6 | 0 | 0 | 112.2 | Y65 Q66 E67 A72 L73 L353 | Y65-E69 WeakPolarHBondContact O-CG 3.46Å; Y65-E69 PolarHBondContact O-N 3.07Å; Q66-E69 PolarHBondContact O-N 2.82Å; E67-E69 PolarHBondContact O-N 3.44Å; E69-A72 WeakPolarHBondContact O-CB 3.41Å; E69-A72 PolarHBondContact O-N 3.49Å; E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 2.7Å; E69-L353 HydrophobicContact CG-CD2 3.57Å; E69-L353 HydrophobicContact CG-CG 4.23Å; E69-L353 WeakPolarHBondContact OE1-CD1 3.11Å; E69-L353 WeakPolarHBondContact OE1-CG 3.18Å |
| 70 | Q | 91 | Very high | 91.5 | Very high | 38 Ų | 38 | 79.1 Ų | 79.1 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 176.8 | -171 | -177.1 | -95.1 | 0 | 0 | 111.4 | Q66 E67 L73 I74 L88 | Q66-Q70 PolarHBondContact O-N 3.29Å; E67-Q70 PolarHBondContact O-N 3.24Å; E67-Q70 PolarHBondContact OE2-NE2 3.07Å; Q70-L73 PolarHBondContact O-N 3.35Å; Q70-I74 HydrophobicContact CG-CD1 4.34Å; Q70-I74 VanDerWaalsContact O-CG1 3.29Å; Q70-I74 WeakPolarHBondContact O-CG1 3.25Å; Q70-I74 PolarHBondContact O-N 3.02Å; Q70-L88 HydrophobicContact CG-CD2 4.41Å |
| 71 | Q | 92.5 | Very high | 92 | Very high | 96 Ų | 96 | 78.6 Ų | 78.6 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.7 | -69.6 | 173.8 | 5.9 | 0 | 0 | 111.9 | E67 L68 I74 Y75 | E67-Q71 VanDerWaalsContact O-CG 3.3Å; E67-Q71 WeakPolarHBondContact O-CG 3.45Å; E67-Q71 PolarHBondContact O-N 3.49Å; E67-Q71 PolarHBondContact OE1-NE2 3.12Å; L68-Q71 PolarHBondContact O-N 3.31Å; Q71-I74 PolarHBondContact O-N 3.11Å; Q71-Y75 WeakPolarHBondContact O-CB 3.49Å; Q71-Y75 PolarHBondContact O-N 3.39Å |
| 72 | A | 93.7 | Very high | 92.1 | Very high | 12 Ų | 12 | 78.4 Ų | 78.4 | 10% | 0.099 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | L68 E69 Y75 K76 F356 | L68-A72 WeakPolarHBondContact O-CB 3.4Å; L68-A72 PolarHBondContact O-N 2.88Å; E69-A72 WeakPolarHBondContact O-CB 3.41Å; E69-A72 PolarHBondContact O-N 3.49Å; A72-Y75 PolarHBondContact O-N 3.18Å; A72-K76 PolarHBondContact O-N 2.99Å; A72-F356 HydrophobicContact CB-CD1 4.27Å; A72-F356 HydrophobicContact CB-CD2 4.23Å; A72-F356 HydrophobicContact CB-CE1 3.61Å; A72-F356 HydrophobicContact CB-CE2 3.58Å; A72-F356 HydrophobicContact CB-CZ 3.22Å |
| 73 | L | 93.2 | Very high | 92.2 | Very high | 82 Ų | 82 | 78.6 Ų | 78.6 | 43% | 0.429 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 175.5 | -74.3 | 170.8 | 0 | 0 | 0 | 111.4 | E69 Q70 Y75 K76 Y77 L88 | E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 2.7Å; Q70-L73 PolarHBondContact O-N 3.35Å; L73-Y75 VanDerWaalsContact C-N 3.3Å; L73-Y75 PolarHBondContact O-N 3.2Å; L73-K76 WeakPolarHBondContact O-CB 3.37Å; L73-K76 PolarHBondContact O-N 3.19Å; L73-Y77 WeakPolarHBondContact O-CD2 3.28Å; L73-Y77 PolarHBondContact O-N 3.12Å; L73-L88 HydrophobicContact CB-CD1 4.06Å; L73-L88 HydrophobicContact CD1-CD2 4.38Å |
| 74 | I | 93 | Very high | 92.3 | Very high | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.097 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 177.3 | -67.4 | 165.9 | 0 | 0 | 0 | 110.6 | Q70 Q71 K76 Y77 L78 V84 L88 I92 | Q70-I74 HydrophobicContact CG-CD1 4.34Å; Q70-I74 VanDerWaalsContact O-CG1 3.29Å; Q70-I74 WeakPolarHBondContact O-CG1 3.25Å; Q70-I74 PolarHBondContact O-N 3.02Å; Q71-I74 PolarHBondContact O-N 3.11Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 3.36Å; I74-Y77 PolarHBondContact O-N 3.2Å; I74-L78 HydrophobicContact CG2-CD1 3.96Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 3.36Å; I74-V84 HydrophobicContact CB-CG1 4.36Å; I74-V84 HydrophobicContact CG1-CG1 3.95Å; I74-V84 HydrophobicContact CG2-CG1 4.13Å; I74-V84 HydrophobicContact CG2-CG2 4.33Å; I74-L88 HydrophobicContact CD1-CB 4.1Å; I74-L88 HydrophobicContact CG1-CB 3.74Å; I74-L88 HydrophobicContact CG1-CD1 4.16Å; I74-I92 HydrophobicContact CD1-CD1 3.35Å |
| 75 | Y | 94 | Very high | 92.3 | Very high | 106 Ų | 106 | 74.2 Ų | 74.2 | 42% | 0.416 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 175 | -179.2 | -105.4 | 0 | 0 | 0 | 112.4 | Q71 A72 L73 Y77 L78 V79 W360 | Q71-Y75 WeakPolarHBondContact O-CB 3.49Å; Q71-Y75 PolarHBondContact O-N 3.39Å; A72-Y75 PolarHBondContact O-N 3.18Å; L73-Y75 VanDerWaalsContact C-N 3.3Å; L73-Y75 PolarHBondContact O-N 3.2Å; Y75-Y77 PolarHBondContact O-N 3.33Å; Y75-L78 PolarHBondContact O-N 3.47Å; Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CD2-CG2 4.09Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 3.64Å; Y75-V79 HydrophobicContact CG-CG2 4.31Å; Y75-V79 VanDerWaalsContact CZ-CG2 3.41Å; Y75-V79 WeakPolarHBondContact O-CG2 3.21Å; Y75-V79 PolarHBondContact O-N 3.43Å; Y75-W360 HydrophobicContact CD1-CH2 4.48Å; Y75-W360 HydrophobicContact CD1-CZ3 4.4Å; Y75-W360 HydrophobicContact CE1-CH2 4.17Å; Y75-W360 HydrophobicContact CE1-CZ3 4.33Å |
| 76 | K | 94 | Very high | 92 | Very high | 104 Ų | 104 | 75 Ų | 75 | 45% | 0.452 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.9 | -171.5 | 163.3 | -175 | 160.6 | 0 | 112.3 | A72 L73 I74 A80 E359 | A72-K76 PolarHBondContact O-N 2.99Å; L73-K76 WeakPolarHBondContact O-CB 3.37Å; L73-K76 PolarHBondContact O-N 3.19Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 3.36Å; K76-A80 VanDerWaalsContact O-CB 3.24Å; K76-A80 WeakPolarHBondContact O-CB 3.49Å; K76-A80 PolarHBondContact O-N 3Å; K76-A80 VanDerWaalsContact O-N 3.08Å; K76-E359 IonicContact NZ-OE1 2.9Å; K76-E359 IonicContact NZ-OE2 2.69Å; K76-E359 PolarHBondContact NZ-OE2 3.06Å |
| 77 | Y | 93.7 | Very high | 91.9 | Very high | 89 Ų | 89 | 74.6 Ų | 74.6 | 35% | 0.349 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 173.9 | -76.2 | -80.3 | 0 | 0 | 0 | 112.3 | L73 I74 Y75 A80 G81 V82 P85 L88 | L73-Y77 WeakPolarHBondContact O-CD2 3.28Å; L73-Y77 PolarHBondContact O-N 3.12Å; I74-Y77 PolarHBondContact O-N 3.2Å; Y75-Y77 PolarHBondContact O-N 3.33Å; Y77-A80 PolarHBondContact O-N 3.31Å; Y77-G81 PolarHBondContact O-N 3.3Å; Y77-V82 HydrophobicContact CD1-CG2 3.67Å; Y77-V82 HydrophobicContact CG-CG2 4.45Å; Y77-V82 WeakPolarHBondContact O-CG2 3.14Å; Y77-V82 PolarHBondContact O-N 3.14Å; Y77-P85 HydrophobicContact CD1-CG 4.37Å; Y77-P85 HydrophobicContact CD2-CG 4.45Å; Y77-P85 HydrophobicContact CE1-CG 3.87Å; Y77-P85 HydrophobicContact CE2-CG 3.96Å; Y77-L88 HydrophobicContact CD2-CD1 3.89Å; Y77-L88 HydrophobicContact CE2-CD1 3.74Å |
| 78 | L | 94.5 | Very high | 91.8 | Very high | 111 Ų | 111 | 72.4 Ų | 72.4 | 58% | 0.581 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.5 | -45.8 | 178.8 | -69.1 | 172.1 | 0 | 0 | 0 | 112.5 | I74 Y75 A80 G81 V84 | I74-L78 HydrophobicContact CG2-CD1 3.96Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 3.36Å; Y75-L78 PolarHBondContact O-N 3.47Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.94Å; L78-G81 PolarHBondContact O-N 3.35Å; L78-G81 VanDerWaalsContact O-N 3.16Å; L78-V84 HydrophobicContact CD2-CG2 3.78Å; L78-V84 HydrophobicContact CG-CG2 3.96Å |
| 79 | V | 94.8 | Very high | 91.5 | Very high | 96 Ų | 96 | 72 Ų | 72 | 58% | 0.582 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.1 | -35 | 177 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | Y75 G81 | Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CD2-CG2 4.09Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 3.64Å; Y75-V79 HydrophobicContact CG-CG2 4.31Å; Y75-V79 VanDerWaalsContact CZ-CG2 3.41Å; Y75-V79 WeakPolarHBondContact O-CG2 3.21Å; Y75-V79 PolarHBondContact O-N 3.43Å; V79-G81 PolarHBondContact O-N 3.27Å |
| 80 | A | 94 | Very high | 91.2 | Very high | 67 Ų | 67 | 71 Ų | 71 | 55% | 0.554 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | K76 Y77 L78 V82 | K76-A80 VanDerWaalsContact O-CB 3.24Å; K76-A80 WeakPolarHBondContact O-CB 3.49Å; K76-A80 PolarHBondContact O-N 3Å; K76-A80 VanDerWaalsContact O-N 3.08Å; Y77-A80 PolarHBondContact O-N 3.31Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.94Å; A80-V82 HydrophobicContact CB-CG2 3.79Å; A80-V82 PolarHBondContact O-N 3.04Å |
| 81 | G | 92.5 | Very high | 90.8 | Very high | 70 Ų | 70 | 71.4 Ų | 71.4 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 14.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y77 L78 V79 | Y77-G81 PolarHBondContact O-N 3.3Å; L78-G81 PolarHBondContact O-N 3.35Å; L78-G81 VanDerWaalsContact O-N 3.16Å; V79-G81 PolarHBondContact O-N 3.27Å |
| 82 | V | 91.3 | Very high | 90.3 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -102.5 | 149.4 | -177.8 | -77.9 | 0 | 0 | 0 | 0 | 111 | Y77 A80 V84 | Y77-V82 HydrophobicContact CD1-CG2 3.67Å; Y77-V82 HydrophobicContact CG-CG2 4.45Å; Y77-V82 WeakPolarHBondContact O-CG2 3.14Å; Y77-V82 PolarHBondContact O-N 3.14Å; A80-V82 HydrophobicContact CB-CG2 3.79Å; A80-V82 PolarHBondContact O-N 3.04Å; V82-V84 PolarHBondContact O-N 3.23Å |
| 83 | P | 90.6 | Very high | 89.8 | Confident | 119 Ų | 119 | 77.4 Ų | 77.4 | 77% | 0.773 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 128.7 | 179.9 | 25.5 | -34.4 | 0 | 0 | 0 | 110.8 | P85 | P83-P85 WeakPolarHBondContact O-CD 3.48Š|
| 84 | V | 89.9 | Confident | 89.2 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 21% | 0.206 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 127.1 | 177.7 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | I74 L78 V82 L88 V89 | I74-V84 HydrophobicContact CB-CG1 4.36Å; I74-V84 HydrophobicContact CG1-CG1 3.95Å; I74-V84 HydrophobicContact CG2-CG1 4.13Å; I74-V84 HydrophobicContact CG2-CG2 4.33Å; L78-V84 HydrophobicContact CD2-CG2 3.78Å; L78-V84 HydrophobicContact CG-CG2 3.96Å; V82-V84 PolarHBondContact O-N 3.23Å; V84-L88 HydrophobicContact CG1-CB 4.24Å; V84-L88 HydrophobicContact CG1-CD1 4.33Å; V84-V89 HydrophobicContact CB-CG1 4.31Å; V84-V89 HydrophobicContact CG1-CG1 3.79Å |
| 85 | P | 90.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 25% | 0.247 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 137.4 | 176.8 | -29.2 | 34.9 | 0 | 0 | 0 | 112.8 | Y77 P83 D87 L88 | Y77-P85 HydrophobicContact CD1-CG 4.37Å; Y77-P85 HydrophobicContact CD2-CG 4.45Å; Y77-P85 HydrophobicContact CE1-CG 3.87Å; Y77-P85 HydrophobicContact CE2-CG 3.96Å; P83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.16Å; P85-L88 HydrophobicContact CB-CG 4.46Å; P85-L88 HydrophobicContact CG-CD1 4.38Å; P85-L88 PolarHBondContact O-N 3.38Å; P85-L88 VanDerWaalsContact O-N 3.11Å |
| 86 | P | 85.6 | Confident | 87.9 | Confident | 85 Ų | 85 | 82 Ų | 82 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.4 | -33.8 | -176 | 23.1 | -33.4 | 0 | 0 | 0 | 112.3 | L88 V89 V90 | P86-L88 PolarHBondContact O-N 3.06Å; P86-V89 VanDerWaalsContact O-CG2 3.25Å; P86-V89 WeakPolarHBondContact O-CG2 3.31Å; P86-V89 PolarHBondContact O-N 2.93Å; P86-V89 VanDerWaalsContact O-N 3.13Å; P86-V90 WeakPolarHBondContact O-CB 3.22Å; P86-V90 VanDerWaalsContact O-CG2 3.25Å; P86-V90 WeakPolarHBondContact O-CG2 3.28Å; P86-V90 PolarHBondContact O-N 3.48Å |
| 87 | D | 87.8 | Confident | 87.1 | Confident | 130 Ų | 130 | 81.2 Ų | 81.2 | 70% | 0.695 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.6 | -26.9 | -178.6 | -57.5 | -46.4 | 0 | 0 | 0 | 113.5 | P85 P91 | P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.16Å; D87-P91 WeakPolarHBondContact O-CD 3.3Å |
| 88 | L | 87.8 | Confident | 86.2 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -79.5 | -32.2 | 175.4 | -61.1 | 179.5 | 0 | 0 | 0 | 112.4 | Q70 L73 I74 Y77 V84 P85 P86 | Q70-L88 HydrophobicContact CG-CD2 4.41Å; L73-L88 HydrophobicContact CB-CD1 4.06Å; L73-L88 HydrophobicContact CD1-CD2 4.38Å; I74-L88 HydrophobicContact CD1-CB 4.1Å; I74-L88 HydrophobicContact CG1-CB 3.74Å; I74-L88 HydrophobicContact CG1-CD1 4.16Å; Y77-L88 HydrophobicContact CD2-CD1 3.89Å; Y77-L88 HydrophobicContact CE2-CD1 3.74Å; V84-L88 HydrophobicContact CG1-CB 4.24Å; V84-L88 HydrophobicContact CG1-CD1 4.33Å; P85-L88 HydrophobicContact CB-CG 4.46Å; P85-L88 HydrophobicContact CG-CD1 4.38Å; P85-L88 PolarHBondContact O-N 3.38Å; P85-L88 VanDerWaalsContact O-N 3.11Å; P86-L88 PolarHBondContact O-N 3.06Å |
| 89 | V | 85.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 29% | 0.285 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -90.6 | -21.5 | -179 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | V84 P86 I92 R93 | V84-V89 HydrophobicContact CB-CG1 4.31Å; V84-V89 HydrophobicContact CG1-CG1 3.79Å; P86-V89 VanDerWaalsContact O-CG2 3.25Å; P86-V89 WeakPolarHBondContact O-CG2 3.31Å; P86-V89 PolarHBondContact O-N 2.93Å; P86-V89 VanDerWaalsContact O-N 3.13Å; V89-I92 PolarHBondContact O-N 3.36Å; V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 WeakPolarHBondContact O-CG 3.29Å; V89-R93 PolarHBondContact O-N 3.48Å |
| 90 | V | 84.9 | Confident | 84.2 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 28% | 0.279 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 177 | 160.7 | 0 | 0 | 0 | 0 | 113 | P86 I92 R93 R94 | P86-V90 WeakPolarHBondContact O-CB 3.22Å; P86-V90 VanDerWaalsContact O-CG2 3.25Å; P86-V90 WeakPolarHBondContact O-CG2 3.28Å; P86-V90 PolarHBondContact O-N 3.48Å; V90-I92 PolarHBondContact O-N 2.67Å; V90-R93 PolarHBondContact O-N 3.42Å; V90-R94 VanDerWaalsContact CG1-NH2 3.34Å; V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 3.23Å |
| 91 | P | 82.8 | Confident | 82.9 | Confident | 47 Ų | 47 | 73.5 Ų | 73.5 | 31% | 0.305 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 173.7 | -26.6 | 36 | 0 | 0 | 0 | 112.8 | D87 R94 G95 | D87-P91 WeakPolarHBondContact O-CD 3.3Å; P91-R94 PolarHBondContact O-N 3.42Å; P91-G95 PolarHBondContact O-N 2.93Å |
| 92 | I | 83.8 | Confident | 81.6 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 178.1 | -60.3 | 179.9 | 0 | 0 | 0 | 110.7 | I74 V89 V90 G95 L96 | I74-I92 HydrophobicContact CD1-CD1 3.35Å; V89-I92 PolarHBondContact O-N 3.36Å; V90-I92 PolarHBondContact O-N 2.67Å; I92-G95 CarbonylContact O-C 3.58Å; I92-G95 WeakPolarHBondContact O-CA 3.42Å; I92-G95 PolarHBondContact O-N 3.33Å; I92-G95 VanDerWaalsContact O-N 3.16Å; I92-L96 WeakPolarHBondContact O-CB 3.35Å; I92-L96 PolarHBondContact O-N 3.5Å |
| 93 | R | 82.5 | Confident | 80.3 | Confident | 161 Ų | 161 | 81.9 Ų | 81.9 | 61% | 0.608 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.9 | -49.5 | 176 | -73 | -178.5 | 66.3 | -172.5 | 0.5 | 111.2 | V89 V90 G95 L96 D97 | V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 WeakPolarHBondContact O-CG 3.29Å; V89-R93 PolarHBondContact O-N 3.48Å; V90-R93 PolarHBondContact O-N 3.42Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 3.17Å; R93-L96 CarbonylContact O-C 3.57Å; R93-L96 PolarHBondContact O-N 3.22Å; R93-L96 VanDerWaalsContact O-N 3.14Å; R93-D97 WeakPolarHBondContact O-CB 3.21Å; R93-D97 PolarHBondContact O-N 2.95Å; R93-D97 VanDerWaalsContact O-OD2 3.06Å |
| 94 | R | 79.6 | Confident | 79 | Confident | 161 Ų | 161 | 85.2 Ų | 85.2 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.9 | -35.9 | 174.2 | -68.5 | -166.5 | -143.9 | 127.4 | -1.2 | 112.5 | V90 P91 S98 | V90-R94 VanDerWaalsContact CG1-NH2 3.34Å; V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 3.23Å; P91-R94 PolarHBondContact O-N 3.42Å; R94-S98 VanDerWaalsContact O-CB 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.25Å; R94-S98 PolarHBondContact O-N 3.25Å; R94-S98 PolarHBondContact O-OG 3.06Å |
| 95 | G | 78.9 | Confident | 77.2 | Confident | 31 Ų | 31 | 86 Ų | 86 | 32% | 0.32 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P91 I92 R93 S98 L99 | P91-G95 PolarHBondContact O-N 2.93Å; I92-G95 CarbonylContact O-C 3.58Å; I92-G95 WeakPolarHBondContact O-CA 3.42Å; I92-G95 PolarHBondContact O-N 3.33Å; I92-G95 VanDerWaalsContact O-N 3.16Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 3.17Å; G95-S98 WeakPolarHBondContact O-CB 3.22Å; G95-S98 PolarHBondContact O-N 3.49Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.44Å |
| 96 | L | 82.3 | Confident | 75.3 | Confident | 112 Ų | 112 | 90.6 Ų | 90.6 | 59% | 0.586 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 175 | -177.6 | 62 | 0 | 0 | 0 | 111.8 | I92 R93 S98 L99 A100 | I92-L96 WeakPolarHBondContact O-CB 3.35Å; I92-L96 PolarHBondContact O-N 3.5Å; R93-L96 CarbonylContact O-C 3.57Å; R93-L96 PolarHBondContact O-N 3.22Å; R93-L96 VanDerWaalsContact O-N 3.14Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 2.78Å; L96-L99 CarbonylContact O-C 3.59Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 2.85Å |
| 97 | D | 77.4 | Confident | 73.4 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 47% | 0.465 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 174 | -64.7 | -36.6 | 0 | 0 | 0 | 110.8 | R93 T101 | R93-D97 WeakPolarHBondContact O-CB 3.21Å; R93-D97 PolarHBondContact O-N 2.95Å; R93-D97 VanDerWaalsContact O-OD2 3.06Å; D97-T101 WeakPolarHBondContact O-CB 3.47Å; D97-T101 PolarHBondContact O-N 3.49Å; D97-T101 PolarHBondContact O-OG1 3.41Å |
| 98 | S | 74.5 | Confident | 71.7 | Confident | 54 Ų | 54 | 89.6 Ų | 89.6 | 38% | 0.378 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | R94 G95 L96 T101 R102 | R94-S98 VanDerWaalsContact O-CB 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.25Å; R94-S98 PolarHBondContact O-N 3.25Å; R94-S98 PolarHBondContact O-OG 3.06Å; G95-S98 WeakPolarHBondContact O-CB 3.22Å; G95-S98 PolarHBondContact O-N 3.49Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 2.78Å; S98-T101 WeakPolarHBondContact O-CB 3.44Å; S98-T101 PolarHBondContact O-N 3.44Å; S98-R102 WeakPolarHBondContact O-CG 3.48Å; S98-R102 PolarHBondContact O-N 3.13Å; S98-R102 VanDerWaalsContact O-N 3.07Å |
| 99 | L | 74.6 | Confident | 70.1 | Confident | 70 Ų | 70 | 96.2 Ų | 96.2 | 37% | 0.366 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 172 | -72.1 | 165.9 | 0 | 0 | 0 | 110.5 | G95 L96 T101 R102 F103 | G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.44Å; L96-L99 CarbonylContact O-C 3.59Å; L96-L99 PolarHBondContact O-N 3.41Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 2.87Å; L99-R102 VanDerWaalsContact CD2-NH2 3.33Å; L99-R102 CarbonylContact O-C 3.59Å; L99-R102 WeakPolarHBondContact O-CA 3.49Å; L99-R102 PolarHBondContact O-N 3.49Å; L99-F103 HydrophobicContact CB-CD2 4.3Å; L99-F103 HydrophobicContact CB-CE2 4.46Å; L99-F103 HydrophobicContact CD2-CE2 4.04Å; L99-F103 WeakPolarHBondContact O-CD2 3.34Å; L99-F103 PolarHBondContact O-N 3.11Å |
| 100 | A | 71.5 | Confident | 68 | Low | 36 Ų | 36 | 97.6 Ų | 97.6 | 30% | 0.298 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L96 R102 F103 Y104 G105 | L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 2.85Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.26Å; A100-F103 PolarHBondContact O-N 3.16Å; A100-Y104 HydrophobicContact CB-CD2 4.17Å; A100-Y104 CarbonylContact O-C 3.54Å; A100-Y104 VanDerWaalsContact O-CA 3.27Å; A100-Y104 WeakPolarHBondContact O-CA 3.4Å; A100-Y104 VanDerWaalsContact O-CB 3.27Å; A100-Y104 WeakPolarHBondContact O-CB 3.47Å; A100-Y104 PolarHBondContact O-N 2.87Å; A100-G105 PolarHBondContact O-N 3.29Å |
| 101 | T | 66.6 | Low | 66.1 | Low | 40 Ų | 40 | 107 Ų | 107 | 25% | 0.245 | 55% | 0.552 | C | S | . | * | I | π-helix | trans | -62.6 | -36 | 171.8 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | D97 S98 L99 G105 P107 | D97-T101 WeakPolarHBondContact O-CB 3.47Å; D97-T101 PolarHBondContact O-N 3.49Å; D97-T101 PolarHBondContact O-OG1 3.41Å; S98-T101 WeakPolarHBondContact O-CB 3.44Å; S98-T101 PolarHBondContact O-N 3.44Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 2.87Å; T101-G105 VanDerWaalsContact O-CA 3.24Å; T101-G105 WeakPolarHBondContact O-CA 3.42Å; T101-G105 PolarHBondContact O-N 3.46Å; T101-G105 VanDerWaalsContact O-N 3.14Å; T101-P107 WeakPolarHBondContact OG1-CD 3.47Å; T101-P107 VanDerWaalsContact OG1-CG 3.31Å; T101-P107 WeakPolarHBondContact OG1-CG 3.3Å |
| 102 | R | 65.4 | Low | 64.2 | Low | 174 Ų | 174 | 107.6 Ų | 107.6 | 66% | 0.657 | 57% | 0.567 | S | S | * | * | I | π-helix | trans | -79.6 | -35.7 | 177.9 | -72.7 | -169.3 | -70.3 | -113.2 | 4.9 | 113.9 | S98 L99 A100 | S98-R102 WeakPolarHBondContact O-CG 3.48Å; S98-R102 PolarHBondContact O-N 3.13Å; S98-R102 VanDerWaalsContact O-N 3.07Å; L99-R102 VanDerWaalsContact CD2-NH2 3.33Å; L99-R102 CarbonylContact O-C 3.59Å; L99-R102 WeakPolarHBondContact O-CA 3.49Å; L99-R102 PolarHBondContact O-N 3.49Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.26Å |
| 103 | F | 63.7 | Low | 62.4 | Low | 143 Ų | 143 | 109.7 Ų | 109.7 | 63% | 0.627 | 59% | 0.585 | S | S | * | * | I | π-helix | trans | -92.7 | -29.7 | -178.1 | -71.6 | -65.1 | 0 | 0 | 0 | 114 | L99 A100 | L99-F103 HydrophobicContact CB-CD2 4.3Å; L99-F103 HydrophobicContact CB-CE2 4.46Å; L99-F103 HydrophobicContact CD2-CE2 4.04Å; L99-F103 WeakPolarHBondContact O-CD2 3.34Å; L99-F103 PolarHBondContact O-N 3.11Å; A100-F103 PolarHBondContact O-N 3.16Å |
| 104 | Y | 63.2 | Low | 60.8 | Low | 188 Ų | 188 | 111 Ų | 111 | 74% | 0.737 | 59% | 0.591 | S | S | * | * | I | π-helix | trans | -119.9 | -3.3 | -176.3 | -59.2 | -65.3 | 0 | 0 | 0 | 114.7 | A100 | A100-Y104 HydrophobicContact CB-CD2 4.17Å; A100-Y104 CarbonylContact O-C 3.54Å; A100-Y104 VanDerWaalsContact O-CA 3.27Å; A100-Y104 WeakPolarHBondContact O-CA 3.4Å; A100-Y104 VanDerWaalsContact O-CB 3.27Å; A100-Y104 WeakPolarHBondContact O-CB 3.47Å; A100-Y104 PolarHBondContact O-N 2.87Å |
| 105 | G | 53.5 | Low | 59.4 | Low | 52 Ų | 52 | 112 Ų | 112 | 54% | 0.536 | 61% | 0.608 | S | S | . | * | I | π-helix | trans | 75.5 | 101 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A100 T101 | A100-G105 PolarHBondContact O-N 3.29Å; T101-G105 VanDerWaalsContact O-CA 3.24Å; T101-G105 WeakPolarHBondContact O-CA 3.42Å; T101-G105 PolarHBondContact O-N 3.46Å; T101-G105 VanDerWaalsContact O-N 3.14Å |
| 106 | Q | 48.7 | Very low | 58.1 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 62% | 0.621 | 63% | 0.631 | S | S | * | * | trans | 62.9 | 98.3 | 159.4 | -72.4 | -71.6 | -38 | 0 | 0 | 118.6 | T108 | Q106-T108 PolarHBondContact O-N 3.16Å; Q106-T108 VanDerWaalsContact OE1-CG2 3.23Å | ||
| 107 | P | 46.6 | Very low | 56.6 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | trans | -86 | 73.6 | 162.4 | 35.9 | -33 | 0 | 0 | 0 | 110.8 | T101 | T101-P107 WeakPolarHBondContact OG1-CD 3.47Å; T101-P107 VanDerWaalsContact OG1-CG 3.31Å; T101-P107 WeakPolarHBondContact OG1-CG 3.3Å | ||
| 108 | T | 52.7 | Low | 55.6 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | trans | -95.4 | 96.8 | 170.1 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | Q106 | Q106-T108 PolarHBondContact O-N 3.16Å; Q106-T108 VanDerWaalsContact OE1-CG2 3.23Å | ||
| 109 | L | 53.7 | Low | 54.8 | Low | 170 Ų | 170 | 127.8 Ų | 127.8 | 89% | 0.89 | 68% | 0.676 | S | S | * | * | trans | 56 | 98.4 | 147.3 | -67.9 | 154 | 0 | 0 | 0 | 116.4 | ||||
| 110 | G | 42.1 | Very low | 53.8 | Low | 75 Ų | 75 | 125.7 Ų | 125.7 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | trans | -59.8 | 147.3 | -175 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 111 | Y | 44 | Very low | 53.5 | Low | 244 Ų | 244 | 129.6 Ų | 129.6 | 96% | 0.957 | 69% | 0.688 | S | S | * | * | -169.1 | 139.2 | 123.8 | -122.5 | -99.1 | 0 | 0 | 0 | 108.9 | |||||
| 112 | G | 43.7 | Very low | 53.3 | Low | 60 Ų | 60 | 133.2 Ų | 133.2 | 62% | 0.619 | 70% | 0.702 | S | S | * | * | trans | 107.2 | 139.5 | 157 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 113 | P | 44.7 | Very low | 53.2 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | -94.6 | 110.3 | -169 | 35.3 | -33.4 | 0 | 0 | 0 | 114.2 | ||||
| 114 | Y | 49.4 | Very low | 53.5 | Low | 187 Ų | 187 | 125.8 Ų | 125.8 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | -135.8 | 39.8 | 168 | -68.5 | -73.9 | 0 | 0 | 0 | 113.3 | G116 | Y114-G116 PolarHBondContact O-N 3.24Š| ||
| 115 | L | 49.5 | Very low | 54.4 | Low | 182 Ų | 182 | 120.9 Ų | 120.9 | 95% | 0.953 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 124.7 | 167.8 | -98.4 | 73.9 | 0 | 0 | 0 | 110 | ||
| 116 | G | 51.3 | Low | 55.9 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.8 | -13.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y114 K118 | Y114-G116 PolarHBondContact O-N 3.24Å; G116-K118 PolarHBondContact O-N 2.64Å |
| 117 | R | 52.3 | Low | 57.4 | Low | 184 Ų | 184 | 115.9 Ų | 115.9 | 69% | 0.694 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -89.6 | 99.1 | 172.6 | -54.8 | -67.9 | -92.6 | -76.1 | -0.8 | 108.7 | L119 | R117-L119 PolarHBondContact O-N 3.09Š|
| 118 | K | 56.3 | Low | 59 | Low | 186 Ų | 186 | 115 Ų | 115 | 81% | 0.809 | 62% | 0.621 | S | S | * | * | trans | -42.4 | 111.2 | 172.6 | -68.2 | -179.2 | -178.6 | -72.3 | 0 | 109.6 | G116 D120 | G116-K118 PolarHBondContact O-N 2.64Å; K118-D120 PolarHBondContact O-N 3.26Å | ||
| 119 | L | 56.7 | Low | 60 | Low | 169 Ų | 169 | 114.3 Ų | 114.3 | 89% | 0.885 | 62% | 0.616 | S | S | * | * | trans | -56.2 | 123.7 | 177.3 | -71.2 | 166.1 | 0 | 0 | 0 | 107.1 | R117 P121 | R117-L119 PolarHBondContact O-N 3.09Å; L119-P121 WeakPolarHBondContact O-CD 3.33Å | ||
| 120 | D | 53.8 | Low | 60.8 | Low | 26 Ų | 26 | 108.5 Ų | 108.5 | 14% | 0.139 | 59% | 0.586 | C | S | . | * | trans | -82 | 125.1 | 177.2 | -161 | -1.4 | 0 | 0 | 0 | 107.5 | K118 E122 P123 R127 R135 | K118-D120 PolarHBondContact O-N 3.26Å; D120-E122 PolarHBondContact O-N 3.11Å; D120-P123 WeakPolarHBondContact O-CD 3.08Å; D120-R127 WeakPolarHBondContact OD2-CD 3.19Å; D120-R127 IonicContact OD2-NE 3.1Å; D120-R135 IonicContact OD1-CZ 2.67Å; D120-R135 IonicContact OD1-NH1 3.8Å; D120-R135 PolarHBondContact OD1-NH1 3.47Å; D120-R135 VanDerWaalsContact OD1-NH1 3.07Å; D120-R135 IonicContact OD1-NH2 3.05Å; D120-R135 PolarHBondContact OD1-NH2 3.48Å; D120-R135 IonicContact OD2-CZ 3.55Å; D120-R135 VanDerWaalsContact OD2-CZ 3.3Å; D120-R135 IonicContact OD2-NH1 3.99Å; D120-R135 PolarHBondContact OD2-NH1 3.06Å; D120-R135 IonicContact OD2-NH2 3.22Å; D120-R135 PolarHBondContact OD2-NH2 3.07Å | ||
| 121 | P | 65.9 | Low | 62.2 | Low | 118 Ų | 118 | 108 Ų | 108 | 77% | 0.766 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -57.4 | -14.9 | 179.5 | -28.5 | 37 | 0 | 0 | 0 | 114.6 | L119 | L119-P121 WeakPolarHBondContact O-CD 3.33Š|
| 122 | E | 61.5 | Low | 62.6 | Low | 115 Ų | 115 | 105.4 Ų | 105.4 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -127.1 | 83.3 | 176 | -68.7 | -76.1 | 143.2 | 0 | 0 | 109.9 | D120 G124 R125 | D120-E122 PolarHBondContact O-N 3.11Å; E122-G124 PolarHBondContact O-N 3.03Å; E122-R125 HydrophobicContact CB-CB 3.88Å; E122-R125 PolarHBondContact O-N 3.29Å; E122-R125 VanDerWaalsContact O-N 3.12Å |
| 123 | P | 64.7 | Low | 64 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 81% | 0.812 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 109.1 | 175.6 | -18.5 | 32 | 0 | 0 | 0 | 110 | D120 | D120-P123 WeakPolarHBondContact O-CD 3.08Š|
| 124 | G | 70.3 | Confident | 65.6 | Low | 36 Ų | 36 | 113.6 Ų | 113.6 | 37% | 0.371 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 120.6 | -12.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E122 E139 A140 | E122-G124 PolarHBondContact O-N 3.03Å; G124-E139 CarbonylContact O-C 3.43Å; G124-E139 WeakPolarHBondContact O-CA 3.33Å; G124-E139 WeakPolarHBondContact O-CG 3.47Å; G124-A140 WeakPolarHBondContact O-CB 3.24Å; G124-A140 PolarHBondContact O-N 3.36Å |
| 125 | R | 80.5 | Confident | 67 | Low | 86 Ų | 86 | 107.7 Ų | 107.7 | 33% | 0.325 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | -88.7 | 140.8 | 178.1 | -171.6 | 172.7 | 171.8 | -178.1 | 6.1 | 113 | E122 R127 R135 C136 | E122-R125 HydrophobicContact CB-CB 3.88Å; E122-R125 PolarHBondContact O-N 3.29Å; E122-R125 VanDerWaalsContact O-N 3.12Å; R125-R127 PolarHBondContact O-N 3.26Å; R125-R127 VanDerWaalsContact O-N 3.15Å; R125-R135 PolarHBondContact NH2-O 3.35Å; R125-C136 WeakPolarHBondContact CG-O 3.47Å; R125-C136 PolarHBondContact NE-O 3.42Å |
| 126 | C | 85.8 | Confident | 68.7 | Low | 0 Ų | 0 | 99.4 Ų | 99.4 | 0% | 0 | 51% | 0.511 | C | S | . | . | trans | -56 | 119.7 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 112.6 | R128 C136 K138 C147 H150 | C126-R128 PolarHBondContact O-N 2.74Å; C126-C136 HydrophobicContact CB-CB 3.81Å; C126-K138 WeakPolarHBondContact CB-O 3.27Å; C126-K138 PolarHBondContact N-O 2.95Å; C126-C147 HydrophobicContact CB-CB 3.81Å; C126-C147 PolarHBondContact SG-N 3.38Å; C126-C147 VanDerWaalsContact SG-SG 3.64Å; C126-H150 PolarHBondContact SG-ND1 2.99Å; C126-H150 VanDerWaalsContact SG-ND1 3.39Å | ||
| 127 | R | 80.2 | Confident | 70.2 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 30% | 0.302 | 51% | 0.507 | S | S | . | . | trans | -71.1 | 0 | -173.3 | -148 | 103.5 | 71.6 | 125.9 | -12.5 | 115.6 | D120 R125 T129 K145 Y146 | D120-R127 WeakPolarHBondContact OD2-CD 3.19Å; D120-R127 IonicContact OD2-NE 3.1Å; R125-R127 PolarHBondContact O-N 3.26Å; R125-R127 VanDerWaalsContact O-N 3.15Å; R127-T129 PolarHBondContact O-N 3.2Å; R127-T129 VanDerWaalsContact O-N 3.14Å; R127-K145 HydrophobicContact CB-CD 4.24Å; R127-K145 HydrophobicContact CB-CG 3.53Å; R127-K145 WeakPolarHBondContact CB-O 3.27Å; R127-K145 HydrophobicContact CG-CD 4.48Å; R127-K145 VanDerWaalsContact CG-CE 3.5Å; R127-K145 HydrophobicContact CG-CG 4.2Å; R127-K145 PolarHBondContact N-O 2.75Å; R127-Y146 HydrophobicContact CB-CE1 4.38Å | ||
| 128 | R | 80.4 | Confident | 71.8 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | trans | -79.4 | 101.5 | -180 | -168.7 | 179.6 | -112.2 | -94.7 | 2.9 | 108.6 | C126 D130 C136 Y146 H150 | C126-R128 PolarHBondContact O-N 2.74Å; R128-D130 PolarHBondContact O-N 3.39Å; R128-C136 PolarHBondContact O-N 2.9Å; R128-C136 VanDerWaalsContact O-N 3.11Å; R128-Y146 HydrophobicContact CB-CD1 3.87Å; R128-Y146 HydrophobicContact CB-CE1 4.04Å; R128-H150 HydrophobicContact CB-CB 4.31Å; R128-H150 VanDerWaalsContact CD-CG 3.47Å | ||
| 129 | T | 72.7 | Confident | 73 | Confident | 83 Ų | 83 | 95.1 Ų | 95.1 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 121.9 | 159.4 | -21.1 | 0 | 0 | 0 | 0 | 107.6 | R127 W134 R135 | R127-T129 PolarHBondContact O-N 3.2Å; R127-T129 VanDerWaalsContact O-N 3.14Å; T129-W134 WeakPolarHBondContact CA-O 3.33Å; T129-W134 VanDerWaalsContact CG2-O 3.24Å; T129-W134 WeakPolarHBondContact CG2-O 3.36Å; T129-R135 HydrophobicContact CG2-CG 4.32Å |
| 130 | D | 71.2 | Confident | 74.3 | Confident | 48 Ų | 48 | 88.2 Ų | 88.2 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133.4 | 170.3 | -157.5 | 83.7 | 0 | 0 | 0 | 105.7 | R128 K132 W134 R153 | R128-D130 PolarHBondContact O-N 3.39Å; D130-K132 PolarHBondContact O-N 2.81Å; D130-W134 HydrophobicContact CB-CD2 4.19Å; D130-W134 HydrophobicContact CB-CE3 4.36Å; D130-W134 HydrophobicContact CB-CH2 3.62Å; D130-W134 HydrophobicContact CB-CZ2 3.41Å; D130-W134 VanDerWaalsContact CB-CZ2 3.41Å; D130-W134 HydrophobicContact CB-CZ3 4.09Å; D130-W134 PolarHBondContact N-O 3.16Å; D130-W134 VanDerWaalsContact N-O 3.15Å; D130-W134 WeakPolarHBondContact OD2-CZ2 3.47Å; D130-R153 IonicContact OD1-CZ 3.08Å; D130-R153 IonicContact OD1-NH1 3.3Å; D130-R153 PolarHBondContact OD1-NH1 2.73Å |
| 131 | G | 70.5 | Confident | 75.5 | Confident | 66 Ų | 66 | 88.1 Ų | 88.1 | 68% | 0.68 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44 | 127.2 | -149.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 132 | K | 53.3 | Low | 76.2 | Confident | 189 Ų | 189 | 89.6 Ų | 89.6 | 82% | 0.822 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 104.7 | 179.6 | -53.3 | 178.8 | -178.5 | -179.8 | 0 | 114.6 | D130 W134 | D130-K132 PolarHBondContact O-N 2.81Å; K132-W134 PolarHBondContact O-N 3.14Å |
| 133 | K | 73.5 | Confident | 76.9 | Confident | 217 Ų | 217 | 90.8 Ų | 90.8 | 94% | 0.943 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -2.1 | 165 | 63.4 | 176.8 | 174.5 | 179 | 0 | 120.1 | ||
| 134 | W | 78.8 | Confident | 77.7 | Confident | 133 Ų | 133 | 85.9 Ų | 85.9 | 50% | 0.504 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.7 | 171.3 | 75.6 | -86.1 | 0 | 0 | 0 | 114 | T129 D130 K132 | T129-W134 WeakPolarHBondContact CA-O 3.33Å; T129-W134 VanDerWaalsContact CG2-O 3.24Å; T129-W134 WeakPolarHBondContact CG2-O 3.36Å; D130-W134 HydrophobicContact CB-CD2 4.19Å; D130-W134 HydrophobicContact CB-CE3 4.36Å; D130-W134 HydrophobicContact CB-CH2 3.62Å; D130-W134 HydrophobicContact CB-CZ2 3.41Å; D130-W134 VanDerWaalsContact CB-CZ2 3.41Å; D130-W134 HydrophobicContact CB-CZ3 4.09Å; D130-W134 PolarHBondContact N-O 3.16Å; D130-W134 VanDerWaalsContact N-O 3.15Å; D130-W134 WeakPolarHBondContact OD2-CZ2 3.47Å; K132-W134 PolarHBondContact O-N 3.14Å |
| 135 | R | 78.5 | Confident | 78.3 | Confident | 63 Ų | 63 | 89.4 Ų | 89.4 | 24% | 0.238 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 147.9 | 174.2 | -64.6 | 171.5 | 123.5 | -117.9 | 11 | 109.2 | D120 R125 T129 S137 | D120-R135 IonicContact OD1-CZ 2.67Å; D120-R135 IonicContact OD1-NH1 3.8Å; D120-R135 PolarHBondContact OD1-NH1 3.47Å; D120-R135 VanDerWaalsContact OD1-NH1 3.07Å; D120-R135 IonicContact OD1-NH2 3.05Å; D120-R135 PolarHBondContact OD1-NH2 3.48Å; D120-R135 IonicContact OD2-CZ 3.55Å; D120-R135 VanDerWaalsContact OD2-CZ 3.3Å; D120-R135 IonicContact OD2-NH1 3.99Å; D120-R135 PolarHBondContact OD2-NH1 3.06Å; D120-R135 IonicContact OD2-NH2 3.22Å; D120-R135 PolarHBondContact OD2-NH2 3.07Å; R125-R135 PolarHBondContact NH2-O 3.35Å; T129-R135 HydrophobicContact CG2-CG 4.32Å; R135-S137 PolarHBondContact O-N 3.21Å |
| 136 | C | 84.9 | Confident | 78.4 | Confident | 7 Ų | 7 | 89.1 Ų | 89.1 | 5% | 0.047 | 45% | 0.454 | C | S | . | . | trans | -53.8 | 131.9 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | R125 C126 R128 K138 C147 H150 | R125-C136 WeakPolarHBondContact CG-O 3.47Å; R125-C136 PolarHBondContact NE-O 3.42Å; C126-C136 HydrophobicContact CB-CB 3.81Å; R128-C136 PolarHBondContact O-N 2.9Å; R128-C136 VanDerWaalsContact O-N 3.11Å; C136-K138 VanDerWaalsContact C-N 3.34Å; C136-C147 VanDerWaalsContact SG-SG 3.66Å; C136-H150 PolarHBondContact SG-CE1 2.84Å; C136-H150 PolarHBondContact SG-ND1 3.3Å | ||
| 137 | S | 83.5 | Confident | 78.4 | Confident | 103 Ų | 103 | 89.3 Ų | 89.3 | 72% | 0.72 | 46% | 0.456 | S | S | * | . | trans | -76.8 | -17 | -178.4 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | R135 | R135-S137 PolarHBondContact O-N 3.21Š| ||
| 138 | K | 84.1 | Confident | 78.6 | Confident | 101 Ų | 101 | 92.5 Ų | 92.5 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -71.8 | 147.9 | 179.2 | -76.2 | -176.2 | 165.3 | -73.3 | 0 | 111.7 | C126 C136 C147 | C126-K138 WeakPolarHBondContact CB-O 3.27Å; C126-K138 PolarHBondContact N-O 2.95Å; C136-K138 VanDerWaalsContact C-N 3.34Å; K138-C147 HydrophobicContact CB-CB 3.56Å; K138-C147 HydrophobicContact CD-CB 4.45Å |
| 139 | E | 81.9 | Confident | 78.7 | Confident | 154 Ų | 154 | 96.8 Ų | 96.8 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 146.2 | 172.8 | -151.2 | 174.8 | 174.6 | 0 | 0 | 111.6 | G124 C147 | G124-E139 CarbonylContact O-C 3.43Å; G124-E139 WeakPolarHBondContact O-CA 3.33Å; G124-E139 WeakPolarHBondContact O-CG 3.47Å; E139-C147 WeakPolarHBondContact O-CA 3.42Å; E139-C147 WeakPolarHBondContact O-CB 3.49Å |
| 140 | A | 84.8 | Confident | 79.4 | Confident | 24 Ų | 24 | 93.3 Ų | 93.3 | 20% | 0.198 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 141 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | G124 S144 | G124-A140 WeakPolarHBondContact O-CB 3.24Å; G124-A140 PolarHBondContact O-N 3.36Å; A140-S144 WeakPolarHBondContact CB-O 3.24Å |
| 141 | A | 79.4 | Confident | 80 | Confident | 25 Ų | 25 | 94.7 Ų | 94.7 | 21% | 0.207 | 47% | 0.474 | C | S | . | . | B | Isolated β-bridge | trans | -62.9 | 150.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D143 S144 Y146 | A141-D143 PolarHBondContact O-N 3.47Å; A141-S144 PolarHBondContact N-O 2.83Å; A141-S144 PolarHBondContact O-N 3.24Å; A141-Y146 PolarHBondContact N-O 2.87Å; A141-Y146 VanDerWaalsContact N-O 3.1Å |
| 142 | P | 79.4 | Confident | 80.3 | Confident | 149 Ų | 149 | 96.2 Ų | 96.2 | 97% | 0.968 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21.5 | -171 | 22.5 | -34.6 | 0 | 0 | 0 | 114.2 | ||
| 143 | D | 76.8 | Confident | 80.9 | Confident | 140 Ų | 140 | 91.5 Ų | 91.5 | 75% | 0.749 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -7.5 | 177.6 | 65.9 | -23.1 | 0 | 0 | 0 | 114 | A141 | A141-D143 PolarHBondContact O-N 3.47Š|
| 144 | S | 81.2 | Confident | 80.4 | Confident | 21 Ų | 21 | 84.8 Ų | 84.8 | 15% | 0.147 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 134.3 | -165.9 | 138.9 | 0 | 0 | 0 | 0 | 113.7 | A140 A141 Y146 | A140-S144 WeakPolarHBondContact CB-O 3.24Å; A141-S144 PolarHBondContact N-O 2.83Å; A141-S144 PolarHBondContact O-N 3.24Å; S144-Y146 PolarHBondContact O-N 3.45Å; S144-Y146 PolarHBondContact OG-N 3.08Å; S144-Y146 VanDerWaalsContact OG-N 3.12Å; S144-Y146 PolarHBondContact OG-O 2.87Å |
| 145 | K | 82 | Confident | 79.7 | Confident | 111 Ų | 111 | 88.8 Ų | 88.8 | 48% | 0.483 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -55.2 | -12.1 | 174.5 | 179 | 173.5 | 175.5 | -175.9 | 0 | 114.7 | R127 | R127-K145 HydrophobicContact CB-CD 4.24Å; R127-K145 HydrophobicContact CB-CG 3.53Å; R127-K145 WeakPolarHBondContact CB-O 3.27Å; R127-K145 HydrophobicContact CG-CD 4.48Å; R127-K145 VanDerWaalsContact CG-CE 3.5Å; R127-K145 HydrophobicContact CG-CG 4.2Å; R127-K145 PolarHBondContact N-O 2.75Å |
| 146 | Y | 83.8 | Confident | 78.5 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -124.7 | 151.6 | -176.2 | -55.4 | -66.4 | 0 | 0 | 0 | 111.3 | R127 R128 A141 S144 H150 | R127-Y146 HydrophobicContact CB-CE1 4.38Å; R128-Y146 HydrophobicContact CB-CD1 3.87Å; R128-Y146 HydrophobicContact CB-CE1 4.04Å; A141-Y146 PolarHBondContact N-O 2.87Å; A141-Y146 VanDerWaalsContact N-O 3.1Å; S144-Y146 PolarHBondContact O-N 3.45Å; S144-Y146 PolarHBondContact OG-N 3.08Å; S144-Y146 VanDerWaalsContact OG-N 3.12Å; S144-Y146 PolarHBondContact OG-O 2.87Å; Y146-H150 HydrophobicContact CD1-CB 4.49Å; Y146-H150 HydrophobicContact CG-CB 4.46Å |
| 147 | C | 86.4 | Confident | 77.1 | Confident | 4 Ų | 4 | 100.9 Ų | 100.9 | 3% | 0.027 | 50% | 0.503 | C | S | . | . | trans | -63.4 | 155.7 | 163.7 | 65.7 | 0 | 0 | 0 | 0 | 109.3 | C126 C136 K138 E139 R149 H150 M151 | C126-C147 HydrophobicContact CB-CB 3.81Å; C126-C147 PolarHBondContact SG-N 3.38Å; C126-C147 VanDerWaalsContact SG-SG 3.64Å; C136-C147 VanDerWaalsContact SG-SG 3.66Å; K138-C147 HydrophobicContact CB-CB 3.56Å; K138-C147 HydrophobicContact CD-CB 4.45Å; E139-C147 WeakPolarHBondContact O-CA 3.42Å; E139-C147 WeakPolarHBondContact O-CB 3.49Å; C147-R149 VanDerWaalsContact C-N 3.28Å; C147-R149 PolarHBondContact O-N 3.29Å; C147-R149 VanDerWaalsContact O-N 3.13Å; C147-H150 CarbonylContact O-C 3.46Å; C147-H150 WeakPolarHBondContact O-CA 2.95Å; C147-H150 PolarHBondContact O-N 3.11Å; C147-M151 PolarHBondContact O-N 2.85Å | ||
| 148 | E | 83.5 | Confident | 76.1 | Confident | 147 Ų | 147 | 101.5 Ų | 101.5 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -41.3 | -50.6 | 177.4 | -176 | -173.6 | -159.3 | 0 | 0 | 113.6 | H150 M151 H152 | E148-H150 PolarHBondContact O-N 2.65Å; E148-H150 VanDerWaalsContact O-N 3.1Å; E148-M151 PolarHBondContact O-N 2.82Å; E148-H152 PolarHBondContact O-CD2 2.93Å |
| 149 | R | 83 | Confident | 75.1 | Confident | 168 Ų | 168 | 108 Ų | 108 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -55.4 | -28.9 | 176.3 | -175.4 | -175 | -68.7 | 177.3 | -3.9 | 113.9 | C147 | C147-R149 VanDerWaalsContact C-N 3.28Å; C147-R149 PolarHBondContact O-N 3.29Å; C147-R149 VanDerWaalsContact O-N 3.13Å |
| 150 | H | 87 | Confident | 74.1 | Confident | 10 Ų | 10 | 109 Ų | 109 | 5% | 0.046 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -105.5 | -20.1 | -177.2 | -73.2 | 165.4 | 0 | 0 | 0 | 114.1 | C126 R128 C136 Y146 C147 E148 H152 R153 | C126-H150 PolarHBondContact SG-ND1 2.99Å; C126-H150 VanDerWaalsContact SG-ND1 3.39Å; R128-H150 HydrophobicContact CB-CB 4.31Å; R128-H150 VanDerWaalsContact CD-CG 3.47Å; C136-H150 PolarHBondContact SG-CE1 2.84Å; C136-H150 PolarHBondContact SG-ND1 3.3Å; Y146-H150 HydrophobicContact CD1-CB 4.49Å; Y146-H150 HydrophobicContact CG-CB 4.46Å; C147-H150 CarbonylContact O-C 3.46Å; C147-H150 WeakPolarHBondContact O-CA 2.95Å; C147-H150 PolarHBondContact O-N 3.11Å; E148-H150 PolarHBondContact O-N 2.65Å; E148-H150 VanDerWaalsContact O-N 3.1Å; H150-H152 VanDerWaalsContact C-N 3.32Å; H150-R153 PolarHBondContact O-N 3.26Å |
| 151 | M | 84 | Confident | 72.7 | Confident | 76 Ų | 76 | 114.5 Ų | 114.5 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.1 | -42.6 | 172.2 | -166.5 | 174.9 | 78.9 | 0 | 0 | 110.8 | C147 E148 | C147-M151 PolarHBondContact O-N 2.85Å; E148-M151 PolarHBondContact O-N 2.82Å |
| 152 | H | 75.7 | Confident | 71.8 | Confident | 99 Ų | 99 | 118.3 Ų | 118.3 | 46% | 0.458 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -0.9 | -177.3 | -60.5 | -59.6 | 0 | 0 | 0 | 116 | E148 H150 G154 R155 | E148-H152 PolarHBondContact O-CD2 2.93Å; H150-H152 VanDerWaalsContact C-N 3.32Å; H152-G154 PolarHBondContact O-N 3.48Å; H152-R155 PolarHBondContact O-N 2.81Å; H152-R155 VanDerWaalsContact O-N 3.08Å |
| 153 | R | 66.7 | Low | 70.4 | Confident | 89 Ų | 89 | 119.2 Ų | 119.2 | 34% | 0.336 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -6.1 | -175.5 | -99.3 | -168.7 | 179.9 | -174.5 | 4.4 | 115 | D130 H150 | D130-R153 IonicContact OD1-CZ 3.08Å; D130-R153 IonicContact OD1-NH1 3.3Å; D130-R153 PolarHBondContact OD1-NH1 2.73Å; H150-R153 PolarHBondContact O-N 3.26Å |
| 154 | G | 63.4 | Low | 69.1 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -19.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116 | H152 | H152-G154 PolarHBondContact O-N 3.48Š|
| 155 | R | 63.2 | Low | 67.4 | Low | 216 Ų | 216 | 126.1 Ų | 126.1 | 82% | 0.815 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -28.5 | -164.4 | -167 | 173.2 | 172 | -176.3 | -5 | 115.6 | H152 | H152-R155 PolarHBondContact O-N 2.81Å; H152-R155 VanDerWaalsContact O-N 3.08Å |
| 156 | N | 54.6 | Low | 66.1 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | trans | -121.2 | 30.7 | -167.5 | -72.9 | 59 | 0 | 0 | 0 | 114.9 | S158 | N156-S158 PolarHBondContact O-N 3.02Å; N156-S158 VanDerWaalsContact O-N 3.08Å | ||
| 157 | R | 55.5 | Low | 64.5 | Low | 187 Ų | 187 | 128.9 Ų | 128.9 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -83.1 | 64.3 | 164 | -66.2 | -174.1 | -170.2 | -91.5 | 3.7 | 110.4 | R159 | R157-R159 PolarHBondContact O-N 3.4Å; R157-R159 VanDerWaalsContact O-N 3.13Å | ||
| 158 | S | 61.6 | Low | 62.5 | Low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 119.8 | 160.1 | -170.8 | 0 | 0 | 0 | 0 | 106.9 | N156 | N156-S158 PolarHBondContact O-N 3.02Å; N156-S158 VanDerWaalsContact O-N 3.08Å |
| 159 | R | 64.5 | Low | 61 | Low | 236 Ų | 236 | 136.7 Ų | 136.7 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 147.5 | -179.3 | -70.7 | 178.5 | 175.7 | -123.8 | 3.4 | 108.2 | R157 | R157-R159 PolarHBondContact O-N 3.4Å; R157-R159 VanDerWaalsContact O-N 3.13Å |
| 160 | K | 60.8 | Low | 59.2 | Low | 177 Ų | 177 | 133.7 Ų | 133.7 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 147.2 | -169.6 | -59.1 | 172.3 | 178.5 | -178.6 | 0 | 112.1 | V162 | K160-V162 PolarHBondContact O-N 3.39Å; K160-V162 VanDerWaalsContact O-N 3.16Å |
| 161 | P | 54.1 | Low | 57.5 | Low | 138 Ų | 138 | 142.6 Ų | 142.6 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 117.3 | 154.5 | -6.1 | 21.7 | 0 | 0 | 0 | 107.4 | ||
| 162 | V | 60.4 | Low | 56 | Low | 106 Ų | 106 | 144.5 Ų | 144.5 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | trans | -149.6 | 119 | 170.4 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | K160 | K160-V162 PolarHBondContact O-N 3.39Å; K160-V162 VanDerWaalsContact O-N 3.16Å | ||
| 163 | E | 49.6 | Very low | 54.5 | Low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | 36 | 102.1 | 158.9 | -62.5 | 168.6 | 127.8 | 0 | 0 | 118.6 | ||||
| 164 | T | 50.7 | Low | 53.5 | Low | 131 Ų | 131 | 146.4 Ų | 146.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | -135.3 | 106.7 | 127.7 | -54.9 | 0 | 0 | 0 | 0 | 108.2 | L166 | T164-L166 PolarHBondContact O-N 2.94Š| |||
| 165 | Q | 44.6 | Very low | 52.7 | Low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -70.7 | 117.2 | 167.4 | -64 | -126.2 | 34.9 | 0 | 0 | 108 | ||||
| 166 | L | 55.1 | Low | 51.9 | Low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -85.5 | 107.5 | 160 | -80 | 170 | 0 | 0 | 0 | 107.4 | T164 | T164-L166 PolarHBondContact O-N 2.94Š| ||
| 167 | A | 51.2 | Low | 51.5 | Low | 81 Ų | 81 | 139.2 Ų | 139.2 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -62.8 | 142.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q169 | A167-Q169 PolarHBondContact O-N 3.49Š| ||
| 168 | P | 44 | Very low | 51.4 | Low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -77.7 | 120.5 | -180 | 30.6 | -33.4 | 0 | 0 | 0 | 111.4 | S170 | P168-S170 PolarHBondContact O-N 3.18Š| ||
| 169 | Q | 52.3 | Low | 50.7 | Low | 190 Ų | 190 | 136.5 Ų | 136.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -89.3 | 89.6 | 169.8 | -73 | -169.6 | -11.1 | 0 | 0 | 111.4 | A167 | A167-Q169 PolarHBondContact O-N 3.49Š| ||
| 170 | S | 43.9 | Very low | 49.9 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 26.1 | 113.8 | 135.1 | 57.3 | 0 | 0 | 0 | 0 | 120.2 | P168 | P168-S170 PolarHBondContact O-N 3.18Š| ||
| 171 | Q | 52.8 | Low | 49.3 | Very low | 197 Ų | 197 | 126 Ų | 126 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -155.2 | 158 | 134.8 | -108 | 171.8 | 1.7 | 0 | 0 | 110.1 | ||||
| 172 | P | 50.9 | Low | 49.7 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -97.7 | 168.7 | -141.7 | 37.3 | -40.1 | 0 | 0 | 0 | 117.1 | ||||
| 173 | P | 44.9 | Very low | 49.6 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | trans | -101.8 | 145.8 | -179.1 | 38.1 | -32.6 | 0 | 0 | 0 | 115.2 | ||||
| 174 | A | 45.2 | Very low | 49.6 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -160.9 | 111.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 175 | A | 46.4 | Very low | 49.4 | Very low | 95 Ų | 95 | 124 Ų | 124 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 92.7 | 112 | 73.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 176 | A | 47.8 | Very low | 49.5 | Very low | 107 Ų | 107 | 119.9 Ų | 119.9 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | 60.8 | 164.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 177 | A | 45.6 | Very low | 49 | Very low | 77 Ų | 77 | 116.8 Ų | 116.8 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | cis | -172 | 156.2 | -37.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 178 | V | 52.8 | Low | 48.7 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | 57 | 164.8 | 168.9 | -56.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 179 | S | 48.1 | Very low | 48.5 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | cis | -161.8 | 162.1 | -37.1 | -91.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 180 | A | 46 | Very low | 48 | Very low | 96 Ų | 96 | 112 Ų | 112 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | 71 | 112.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 181 | A | 49.5 | Very low | 47.7 | Very low | 97 Ų | 97 | 113.9 Ų | 113.9 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | 66.6 | 126.2 | 129.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 182 | P | 61.2 | Low | 47.2 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -100.1 | 168.3 | 157.3 | 39.3 | -32 | 0 | 0 | 0 | 112.1 | ||||
| 183 | P | 59.7 | Low | 46.7 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | -155.7 | 150.2 | 121.8 | 34.5 | -14.8 | 0 | 0 | 0 | 119.3 | |||||
| 184 | L | 49.1 | Very low | 46.7 | Very low | 171 Ų | 171 | 110 Ų | 110 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | 72.4 | 148.5 | 133.8 | -69.1 | 168.9 | 0 | 0 | 0 | 125 | ||||
| 185 | A | 46.1 | Very low | 46.6 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 76.6 | 140.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 186 | A | 46.2 | Very low | 46.5 | Very low | 91 Ų | 91 | 109.5 Ų | 109.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | cis | -167.7 | 153.6 | -19.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 187 | A | 45.3 | Very low | 46.3 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | 49.5 | 143.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 188 | A | 44.5 | Very low | 46.5 | Very low | 94 Ų | 94 | 116.5 Ų | 116.5 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | cis | -166.2 | 168.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 189 | A | 40.2 | Very low | 46 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 65.5 | 93.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 190 | A | 40.7 | Very low | 45.9 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | -164.7 | 104.5 | 124.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 191 | T | 38.1 | Very low | 45.6 | Very low | 146 Ų | 146 | 121 Ų | 121 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -85.1 | 114.1 | -174 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 192 | T | 43.6 | Very low | 45.3 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -142.6 | 119.4 | 165.5 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 193 | N | 38.9 | Very low | 44.5 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | 38.3 | 98.5 | 158.6 | -58.6 | -11.8 | 0 | 0 | 0 | 119.4 | ||||
| 194 | G | 45 | Very low | 44.2 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -117.8 | 129.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 195 | S | 44.2 | Very low | 43.7 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -70.4 | 135.8 | -169.8 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 196 | G | 43.8 | Very low | 43.8 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -120.6 | 130 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 197 | F | 43 | Very low | 43.6 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 77% | 0.768 | 82% | 0.815 | S | S | * | * | trans | -83.8 | 130.4 | -167.7 | -37.8 | -90.5 | 0 | 0 | 0 | 113.2 | ||||
| 198 | Q | 50.9 | Low | 43.5 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -158.5 | 93.3 | 156.1 | -65.8 | -54.9 | -25.9 | 0 | 0 | 112 | H200 | Q198-H200 PolarHBondContact O-ND1 3.35Å; Q198-H200 VanDerWaalsContact O-ND1 3.12Å | ||
| 199 | N | 41.5 | Very low | 43.5 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 60.5 | -167.3 | 175.2 | -59.1 | -81 | 0 | 0 | 0 | 112.7 | ||||
| 200 | H | 46.1 | Very low | 43.7 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | cis | -150.9 | 175.2 | 6.7 | 21.6 | -77.4 | 0 | 0 | 0 | 112 | Q198 | Q198-H200 PolarHBondContact O-ND1 3.35Å; Q198-H200 VanDerWaalsContact O-ND1 3.12Å | ||
| 201 | S | 40.4 | Very low | 43.8 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -61.5 | 149.8 | -174 | -51.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 202 | L | 43.7 | Very low | 44 | Very low | 176 Ų | 176 | 127.8 Ų | 127.8 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | -175.8 | 162.7 | 119.4 | -96.2 | 162.2 | 0 | 0 | 0 | 113.2 | |||||
| 203 | Y | 43.2 | Very low | 43.9 | Very low | 217 Ų | 217 | 126.2 Ų | 126.2 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 156.4 | -175.4 | -115.3 | -107.3 | 0 | 0 | 0 | 114.4 | ||
| 204 | P | 53 | Low | 44 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 141.6 | 159.2 | 34.7 | -30.9 | 0 | 0 | 0 | 111.6 | ||
| 205 | A | 39.6 | Very low | 43.9 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 152.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 206 | I | 48.9 | Very low | 44 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | trans | -136.9 | 148.7 | 169.1 | -15.8 | 177 | 0 | 0 | 0 | 109.1 | ||||
| 207 | A | 41.1 | Very low | 43.9 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -104.9 | 168.1 | -158.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 208 | G | 43.8 | Very low | 43.8 | Very low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 115.4 | 142 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 209 | S | 44.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 119.1 Ų | 119.1 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | cis | -160.9 | 144.1 | -6.9 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 210 | T | 43.3 | Very low | 43.7 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | 47.3 | 120.4 | 150.1 | 49.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 211 | G | 43.1 | Very low | 43.6 | Very low | 87 Ų | 87 | 114.8 Ų | 114.8 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | 107.1 | 133.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 212 | G | 42.1 | Very low | 43.9 | Very low | 80 Ų | 80 | 116.7 Ų | 116.7 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | cis | 175.1 | 140.2 | -8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 213 | G | 42.4 | Very low | 43.9 | Very low | 88 Ų | 88 | 113.6 Ų | 113.6 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | trans | 76.9 | 148.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 214 | G | 41.3 | Very low | 43.9 | Very low | 83 Ų | 83 | 108.7 Ų | 108.7 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | cis | 153.7 | 116.4 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 215 | G | 41.8 | Very low | 43.8 | Very low | 67 Ų | 67 | 108.6 Ų | 108.6 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | 97.8 | 112.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 216 | V | 46 | Very low | 43.9 | Very low | 156 Ų | 156 | 112.2 Ų | 112.2 | 95% | 0.945 | 83% | 0.828 | S | S | * | * | 51.7 | 126.8 | 74.4 | -42.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 217 | G | 43 | Very low | 43.5 | Very low | 82 Ų | 82 | 108 Ų | 108 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | cis | 174.5 | 176.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 218 | G | 40.9 | Very low | 43.6 | Very low | 85 Ų | 85 | 108.4 Ų | 108.4 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 128.7 | 99.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 219 | S | 43.8 | Very low | 43.2 | Very low | 134 Ų | 134 | 110.4 Ų | 110.4 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -83.1 | 143.5 | 169.5 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | G | 44.9 | Very low | 43.3 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -160.8 | 99.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 221 | N | 44 | Very low | 43.1 | Very low | 156 Ų | 156 | 112.5 Ų | 112.5 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | trans | -92 | 170.5 | -173.7 | -118.8 | 0.5 | 0 | 0 | 0 | 112.3 | ||||
| 222 | I | 47 | Very low | 42.9 | Very low | 151 Ų | 151 | 112 Ų | 112 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | trans | 61.6 | 112.7 | 159 | 60.7 | 163.5 | 0 | 0 | 0 | 120.1 | ||||
| 223 | S | 45 | Very low | 42.9 | Very low | 112 Ų | 112 | 114.1 Ų | 114.1 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | 158.9 | 115.2 | 105 | -67 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 224 | S | 41.6 | Very low | 43 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -83.1 | 165.4 | 154.4 | -32.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 225 | P | 52 | Low | 42.8 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | -149.8 | 178.9 | 59 | 31.7 | -6.6 | 0 | 0 | 0 | 117.4 | |||||
| 226 | F | 41.8 | Very low | 43.1 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | 42.2 | 124.7 | 153.9 | 92.7 | -56.2 | 0 | 0 | 0 | 120.5 | ||||
| 227 | S | 40.5 | Very low | 42.7 | Very low | 88 Ų | 88 | 123.4 Ų | 123.4 | 62% | 0.615 | 81% | 0.81 | S | S | * | * | -165.9 | 145.8 | 72 | -68.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 228 | S | 42.4 | Very low | 43.2 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 62.7 | 82 | 140.9 | -53.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 229 | S | 36.3 | Very low | 43.4 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | 30.4 | 110.5 | 121.9 | 174.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 230 | M | 47.5 | Very low | 43.1 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | -144.3 | 146.1 | 128.7 | -86.5 | -150.8 | 170.4 | 0 | 0 | 110.7 | |||||
| 231 | G | 38.1 | Very low | 43 | Very low | 86 Ų | 86 | 130 Ų | 130 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -77.4 | -178.9 | -162.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 232 | G | 37.9 | Very low | 42.9 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 143 | 90 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 233 | S | 43.8 | Very low | 42.7 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -62.9 | 136 | 176 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | Q235 | S233-Q235 PolarHBondContact O-N 3.4Å; S233-Q235 VanDerWaalsContact O-N 3.17Å | ||
| 234 | S | 42.9 | Very low | 42.4 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -59.9 | 113.7 | 179.4 | -47.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 235 | Q | 37.2 | Very low | 42.5 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -83 | 118.5 | 164.2 | -171.7 | -167.4 | 42.4 | 0 | 0 | 108.3 | S233 H237 | S233-Q235 PolarHBondContact O-N 3.4Å; S233-Q235 VanDerWaalsContact O-N 3.17Å; Q235-H237 PolarHBondContact O-N 2.76Å | ||
| 236 | L | 47.9 | Very low | 41.9 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -82.8 | 107 | 170.8 | -74.8 | 174.7 | 0 | 0 | 0 | 109.7 | ||||
| 237 | H | 38.1 | Very low | 41.8 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 60% | 0.602 | 79% | 0.793 | S | S | * | * | trans | -72.4 | 133.4 | 170.4 | -167.9 | -118.4 | 0 | 0 | 0 | 110 | Q235 D239 | Q235-H237 PolarHBondContact O-N 2.76Å; H237-D239 IonicContact CE1-OD1 2.97Å; H237-D239 PolarHBondContact CE1-OD1 2.86Å; H237-D239 IonicContact CE1-OD2 2.79Å; H237-D239 PolarHBondContact CE1-OD2 3.3Å; H237-D239 IonicContact ND1-OD1 3.77Å; H237-D239 IonicContact ND1-OD2 3.07Å; H237-D239 PolarHBondContact ND1-OD2 2.86Å; H237-D239 IonicContact NE2-OD1 3.96Å | ||
| 238 | M | 53 | Low | 41.7 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -134.6 | 112.5 | 166.6 | -81.7 | -71.7 | 161.5 | 0 | 0 | 107.7 | ||||
| 239 | D | 45.2 | Very low | 41.6 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -65.9 | 142.9 | -172.7 | -76.2 | -86.4 | 0 | 0 | 0 | 113.6 | H237 | H237-D239 IonicContact CE1-OD1 2.97Å; H237-D239 PolarHBondContact CE1-OD1 2.86Å; H237-D239 IonicContact CE1-OD2 2.79Å; H237-D239 PolarHBondContact CE1-OD2 3.3Å; H237-D239 IonicContact ND1-OD1 3.77Å; H237-D239 IonicContact ND1-OD2 3.07Å; H237-D239 PolarHBondContact ND1-OD2 2.86Å; H237-D239 IonicContact NE2-OD1 3.96Å | ||
| 240 | S | 38.3 | Very low | 41.6 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -100.9 | 111.4 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 241 | A | 43.7 | Very low | 41 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -150.9 | 72.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S243 | A241-S243 PolarHBondContact O-N 2.67Å; A241-S243 VanDerWaalsContact O-N 3.16Å | ||
| 242 | A | 40.2 | Very low | 41 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 80.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y244 | A242-Y244 PolarHBondContact O-N 2.69Š| ||
| 243 | S | 43.1 | Very low | 40.9 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -78.8 | 117.6 | 175.9 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | A241 S245 | A241-S243 PolarHBondContact O-N 2.67Å; A241-S243 VanDerWaalsContact O-N 3.16Å; S243-S245 PolarHBondContact O-N 3.05Å | ||
| 244 | Y | 39.9 | Very low | 40.9 | Very low | 220 Ų | 220 | 128.9 Ų | 128.9 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | trans | -58.2 | 124.8 | 171.5 | -16.1 | -92.8 | 0 | 0 | 0 | 111 | A242 | A242-Y244 PolarHBondContact O-N 2.69Š| ||
| 245 | S | 42.4 | Very low | 41.1 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -145.8 | 125.2 | 169.7 | -77.3 | 0 | 0 | 0 | 0 | 110.7 | S243 | S243-S245 PolarHBondContact O-N 3.05Š| ||
| 246 | Y | 39.1 | Very low | 41.5 | Very low | 228 Ų | 228 | 131.5 Ų | 131.5 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -97.9 | 137.7 | -178 | 164.9 | -92.6 | 0 | 0 | 0 | 111 | ||||
| 247 | A | 39.6 | Very low | 41.5 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | trans | 42.4 | 117.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 248 | A | 39.2 | Very low | 41.5 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -151.8 | 143.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 249 | L | 39.4 | Very low | 40.9 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 95% | 0.953 | 82% | 0.817 | S | S | * | * | trans | -82.8 | 150.8 | 179.3 | -58.2 | 87.5 | 0 | 0 | 0 | 110.9 | ||||
| 250 | G | 36.7 | Very low | 40.8 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 164.1 | 82 | 161 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 251 | G | 35.4 | Very low | 40.8 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 92% | 0.918 | 80% | 0.804 | S | S | * | * | trans | 73.5 | 163.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 252 | G | 37.1 | Very low | 40.9 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 123.9 | 37.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 253 | T | 37.7 | Very low | 41 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | 37.2 | 100.7 | 148.2 | 59.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 254 | A | 43.8 | Very low | 41.2 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -145.4 | 134.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 255 | K | 45.4 | Very low | 41.6 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -93.1 | 125.3 | -177.7 | -56.4 | 162.9 | -175.6 | 171.4 | 0 | 107.9 | ||||
| 256 | D | 45.3 | Very low | 41.6 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | 177.4 | 157.3 | 119.9 | -108.1 | -45 | 0 | 0 | 0 | 114.9 | |||||
| 257 | L | 48.4 | Very low | 42.4 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | 59.6 | 106.3 | 170.1 | -80.9 | 76 | 0 | 0 | 0 | 119.7 | ||||
| 258 | R | 39.3 | Very low | 42.9 | Very low | 248 Ų | 248 | 137 Ų | 137 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -78.2 | 132.8 | 155.1 | -59.6 | 177.2 | -177 | 173.4 | 0.3 | 110.6 | ||||
| 259 | Y | 39.1 | Very low | 43.4 | Very low | 206 Ų | 206 | 136.3 Ų | 136.3 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -163.4 | 133 | 140.4 | -150.2 | -115.5 | 0 | 0 | 0 | 111.3 | ||||
| 260 | N | 43.2 | Very low | 43.9 | Very low | 108 Ų | 108 | 133 Ų | 133 | 58% | 0.578 | 76% | 0.757 | S | S | * | * | trans | 41.9 | 109.8 | 168.5 | -61.1 | 5.1 | 0 | 0 | 0 | 117.8 | ||||
| 261 | A | 38.8 | Very low | 44.5 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | cis | 51.5 | 86.3 | 46 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 262 | Y | 46.2 | Very low | 45.3 | Very low | 230 Ų | 230 | 136.6 Ų | 136.6 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | -161 | 146.1 | 126.9 | -85.7 | -63.2 | 0 | 0 | 0 | 108.5 | |||||
| 263 | G | 41.4 | Very low | 46.2 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -76 | 147.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R265 | G263-R265 PolarHBondContact O-N 3.22Š| ||
| 264 | I | 48.5 | Very low | 46.9 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | trans | -81.8 | 107 | 174.1 | -43.1 | 178.5 | 0 | 0 | 0 | 108.2 | ||||
| 265 | R | 47.5 | Very low | 47.5 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 59% | 0.589 | 68% | 0.684 | S | S | * | * | trans | -78.7 | 152.7 | 167.8 | -77.2 | -179.7 | 66.1 | -149.5 | 1.3 | 110.2 | G263 D269 | G263-R265 PolarHBondContact O-N 3.22Å; R265-D269 IonicContact NH2-OD2 3.92Å | ||
| 266 | S | 43.3 | Very low | 47.9 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | trans | -67.8 | 136.5 | -175.9 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | A268 D269 | S266-A268 PolarHBondContact O-N 3.1Å; S266-D269 PolarHBondContact O-N 3.48Å | ||
| 267 | L | 54.4 | Low | 48.1 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 84% | 0.838 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -4.8 | -171.2 | -171.8 | 134 | 0 | 0 | 0 | 114.6 | ||
| 268 | A | 51.1 | Low | 48.3 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 58% | 0.579 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -35.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S266 | S266-A268 PolarHBondContact O-N 3.1Š|
| 269 | D | 49.8 | Very low | 49.1 | Very low | 85 Ų | 85 | 115.9 Ų | 115.9 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -79.2 | -24.2 | -170.5 | -66.8 | -29.6 | 0 | 0 | 0 | 113.6 | R265 S266 H271 Q273 | R265-D269 IonicContact NH2-OD2 3.92Å; S266-D269 PolarHBondContact O-N 3.48Å; D269-H271 PolarHBondContact O-N 2.93Å; D269-Q273 PolarHBondContact O-NE2 3.14Å |
| 270 | E | 49.5 | Very low | 49.6 | Very low | 114 Ų | 114 | 112 Ų | 112 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.7 | -23.3 | -174.8 | -58.9 | -151.2 | 137.2 | 0 | 0 | 113 | L274 | E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.02Å; E270-L274 VanDerWaalsContact O-N 3.14Å |
| 271 | H | 49.1 | Very low | 50.1 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 179.2 | -169.2 | 53 | 0 | 0 | 0 | 112.3 | D269 I275 | D269-H271 PolarHBondContact O-N 2.93Å; H271-I275 WeakPolarHBondContact O-CG1 3.38Å; H271-I275 PolarHBondContact O-N 3.39Å |
| 272 | N | 52.8 | Low | 50.3 | Low | 116 Ų | 116 | 109.3 Ų | 109.3 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.9 | -35.4 | 179.2 | -71.4 | -17.1 | 0 | 0 | 0 | 112.4 | I275 A276 | N272-I275 PolarHBondContact O-N 2.9Å; N272-A276 PolarHBondContact O-N 2.94Å; N272-A276 VanDerWaalsContact O-N 3.12Å |
| 273 | Q | 56 | Low | 50.4 | Low | 94 Ų | 94 | 103.4 Ų | 103.4 | 44% | 0.439 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.7 | -43.3 | 177.4 | -75 | 164 | 95.3 | 0 | 0 | 111.9 | D269 I275 A276 E277 | D269-Q273 PolarHBondContact O-NE2 3.14Å; Q273-I275 VanDerWaalsContact C-N 3.29Å; Q273-I275 PolarHBondContact O-N 3.37Å; Q273-A276 PolarHBondContact O-N 3.15Å; Q273-E277 PolarHBondContact O-N 3.44Å |
| 274 | L | 53.1 | Low | 50.5 | Low | 113 Ų | 113 | 105.1 Ų | 105.1 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.5 | -30.7 | 177.1 | -76.7 | 168.7 | 0 | 0 | 0 | 113.3 | E270 A278 | E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.02Å; E270-L274 VanDerWaalsContact O-N 3.14Å; L274-A278 VanDerWaalsContact O-CB 3.28Å; L274-A278 WeakPolarHBondContact O-CB 3.47Å; L274-A278 PolarHBondContact O-N 2.69Å |
| 275 | I | 55.2 | Low | 50.1 | Low | 85 Ų | 85 | 101.1 Ų | 101.1 | 44% | 0.436 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.9 | -43 | 173.8 | -67 | 168.2 | 0 | 0 | 0 | 110.3 | H271 N272 Q273 A278 I279 | H271-I275 WeakPolarHBondContact O-CG1 3.38Å; H271-I275 PolarHBondContact O-N 3.39Å; N272-I275 PolarHBondContact O-N 2.9Å; Q273-I275 VanDerWaalsContact C-N 3.29Å; Q273-I275 PolarHBondContact O-N 3.37Å; I275-A278 PolarHBondContact O-N 3.07Å; I275-I279 HydrophobicContact CG2-CD1 4.01Å; I275-I279 WeakPolarHBondContact O-CD1 3.09Å; I275-I279 VanDerWaalsContact O-CG1 3.28Å; I275-I279 WeakPolarHBondContact O-CG1 3.24Å; I275-I279 PolarHBondContact O-N 2.79Å |
| 276 | A | 55.1 | Low | 49.9 | Very low | 58 Ų | 58 | 100.1 Ų | 100.1 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.1 | -50.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N272 Q273 A278 I279 D280 | N272-A276 PolarHBondContact O-N 2.94Å; N272-A276 VanDerWaalsContact O-N 3.12Å; Q273-A276 PolarHBondContact O-N 3.15Å; A276-A278 VanDerWaalsContact C-N 3.3Å; A276-A278 PolarHBondContact O-N 3.07Å; A276-I279 PolarHBondContact O-N 3.39Å; A276-D280 PolarHBondContact O-N 3.35Å |
| 277 | E | 48.3 | Very low | 49.7 | Very low | 137 Ų | 137 | 105.5 Ų | 105.5 | 64% | 0.64 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.9 | -31.3 | 178.9 | -68.5 | -172.7 | 167.9 | 0 | 0 | 113.1 | Q273 I279 D280 S281 | Q273-E277 PolarHBondContact O-N 3.44Å; E277-I279 VanDerWaalsContact C-N 3.34Å; E277-D280 PolarHBondContact O-N 3.32Å; E277-S281 WeakPolarHBondContact O-CB 3.31Å; E277-S281 PolarHBondContact O-N 3.14Å; E277-S281 PolarHBondContact O-OG 3.23Å |
| 278 | A | 53.5 | Low | 48.9 | Very low | 41 Ų | 41 | 106.6 Ų | 106.6 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.8 | -28 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L274 I275 A276 S282 | L274-A278 VanDerWaalsContact O-CB 3.28Å; L274-A278 WeakPolarHBondContact O-CB 3.47Å; L274-A278 PolarHBondContact O-N 2.69Å; I275-A278 PolarHBondContact O-N 3.07Å; A276-A278 VanDerWaalsContact C-N 3.3Å; A276-A278 PolarHBondContact O-N 3.07Å; A278-S282 VanDerWaalsContact O-CB 3.22Å; A278-S282 WeakPolarHBondContact O-CB 3.37Å; A278-S282 PolarHBondContact O-N 3.37Å |
| 279 | I | 56.1 | Low | 48.2 | Very low | 114 Ų | 114 | 110.9 Ų | 110.9 | 59% | 0.585 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75 | -44.5 | 174.2 | -58.8 | 156.1 | 0 | 0 | 0 | 109.6 | I275 A276 E277 S281 S282 I283 | I275-I279 HydrophobicContact CG2-CD1 4.01Å; I275-I279 WeakPolarHBondContact O-CD1 3.09Å; I275-I279 VanDerWaalsContact O-CG1 3.28Å; I275-I279 WeakPolarHBondContact O-CG1 3.24Å; I275-I279 PolarHBondContact O-N 2.79Å; A276-I279 PolarHBondContact O-N 3.39Å; E277-I279 VanDerWaalsContact C-N 3.34Å; I279-S281 PolarHBondContact O-N 3.45Å; I279-S282 PolarHBondContact O-N 3.16Å; I279-I283 PolarHBondContact O-N 3.16Å |
| 280 | D | 49.8 | Very low | 47.7 | Very low | 124 Ų | 124 | 112.6 Ų | 112.6 | 66% | 0.663 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.5 | -30.1 | -175.8 | -146.7 | 33.3 | 0 | 0 | 0 | 113.1 | A276 E277 I283 | A276-D280 PolarHBondContact O-N 3.35Å; E277-D280 PolarHBondContact O-N 3.32Å; D280-I283 WeakPolarHBondContact O-CG2 3.33Å |
| 281 | S | 52 | Low | 47 | Very low | 74 Ų | 74 | 112.9 Ų | 112.9 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -82 | -18.4 | 172.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | E277 I279 S285 | E277-S281 WeakPolarHBondContact O-CB 3.31Å; E277-S281 PolarHBondContact O-N 3.14Å; E277-S281 PolarHBondContact O-OG 3.23Å; I279-S281 PolarHBondContact O-N 3.45Å; S281-S285 PolarHBondContact O-OG 3.49Å |
| 282 | S | 43 | Very low | 46.2 | Very low | 65 Ų | 65 | 112.1 Ų | 112.1 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -80.6 | -39.8 | 177 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | A278 I279 E284 S285 | A278-S282 VanDerWaalsContact O-CB 3.22Å; A278-S282 WeakPolarHBondContact O-CB 3.37Å; A278-S282 PolarHBondContact O-N 3.37Å; I279-S282 PolarHBondContact O-N 3.16Å; S282-E284 PolarHBondContact O-N 3.13Å; S282-S285 PolarHBondContact O-N 3.08Å |
| 283 | I | 48.9 | Very low | 45.5 | Very low | 105 Ų | 105 | 112.1 Ų | 112.1 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.4 | -37.3 | -177.3 | -164.5 | 70.8 | 0 | 0 | 0 | 112.9 | I279 D280 S285 | I279-I283 PolarHBondContact O-N 3.16Å; D280-I283 WeakPolarHBondContact O-CG2 3.33Å; I283-S285 VanDerWaalsContact C-N 3.34Å; I283-S285 PolarHBondContact O-N 2.97Å |
| 284 | E | 43.1 | Very low | 44.6 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 52% | 0.519 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | -20.3 | -178.3 | -168.8 | 57.5 | -143.3 | 0 | 0 | 113.2 | S282 R288 | S282-E284 PolarHBondContact O-N 3.13Å; E284-R288 IonicContact OE1-CZ 2.82Å; E284-R288 IonicContact OE1-NH1 3.42Å; E284-R288 IonicContact OE1-NH2 3.69Å; E284-R288 PolarHBondContact OE1-NH2 3.11Å |
| 285 | S | 41.7 | Very low | 44.1 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 64% | 0.643 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -20.7 | -168.7 | -61.1 | 0 | 0 | 0 | 0 | 114.9 | S281 S282 I283 | S281-S285 PolarHBondContact O-OG 3.49Å; S282-S285 PolarHBondContact O-N 3.08Å; I283-S285 VanDerWaalsContact C-N 3.34Å; I283-S285 PolarHBondContact O-N 2.97Å |
| 286 | Q | 43 | Very low | 43 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.4 | -9.1 | -169.3 | -157.2 | 169 | -99.1 | 0 | 0 | 115.1 | ||
| 287 | W | 39.2 | Very low | 42.1 | Very low | 197 Ų | 197 | 125.4 Ų | 125.4 | 75% | 0.746 | 69% | 0.69 | S | S | * | * | trans | -105.8 | 2.1 | -175.5 | -62.9 | 110.5 | 0 | 0 | 0 | 115.2 | L289 | W287-L289 PolarHBondContact O-N 3.29Å; W287-L289 VanDerWaalsContact O-N 3.09Å | ||
| 288 | R | 37.2 | Very low | 41.7 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | trans | -80.9 | 84.8 | 174 | -62.4 | -74.9 | -165.1 | -103.8 | -9.6 | 110.2 | E284 | E284-R288 IonicContact OE1-CZ 2.82Å; E284-R288 IonicContact OE1-NH1 3.42Å; E284-R288 IonicContact OE1-NH2 3.69Å; E284-R288 PolarHBondContact OE1-NH2 3.11Å | ||
| 289 | L | 35.5 | Very low | 40.8 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.1 | 168.1 | -74.6 | 163.7 | 0 | 0 | 0 | 110.2 | W287 S291 | W287-L289 PolarHBondContact O-N 3.29Å; W287-L289 VanDerWaalsContact O-N 3.09Å; L289-S291 PolarHBondContact O-N 2.76Å |
| 290 | P | 40.3 | Very low | 40.5 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.9 | 170.7 | 28.4 | -31.7 | 0 | 0 | 0 | 109.4 | ||
| 291 | S | 34 | Very low | 39.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.7 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | L289 | L289-S291 PolarHBondContact O-N 2.76Š|
| 292 | S | 32.3 | Very low | 39.4 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 129.3 | -174.8 | 52 | 0 | 0 | 0 | 0 | 115.4 | ||
| 293 | S | 38.4 | Very low | 39.1 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -167.8 | 91.4 | 150.4 | -81.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 294 | F | 37.3 | Very low | 38.6 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 130.7 | 169.7 | -70.5 | -74.2 | 0 | 0 | 0 | 110.3 | ||
| 295 | P | 42 | Very low | 38.5 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 136 | 160.8 | 31.8 | -30.2 | 0 | 0 | 0 | 110.6 | ||
| 296 | L | 31.5 | Very low | 38.2 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.1 | -177.2 | -168.6 | 78.8 | 0 | 0 | 0 | 112.2 | ||
| 297 | S | 37.1 | Very low | 38.1 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -160.5 | 119.4 | 157.3 | -159 | 0 | 0 | 0 | 0 | 115 | ||||
| 298 | S | 38.8 | Very low | 38.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | 7.8 | 130.6 | 164.5 | -66.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 299 | Y | 36 | Very low | 38.1 | Very low | 230 Ų | 230 | 135.7 Ų | 135.7 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -103.9 | 150.4 | 146.7 | -97 | -97.4 | 0 | 0 | 0 | 110.5 | ||||
| 300 | P | 49.4 | Very low | 38 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -102.7 | 166.5 | 156.2 | 35.2 | -27.8 | 0 | 0 | 0 | 112.8 | ||||
| 301 | H | 37.3 | Very low | 38.1 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | -133.6 | 139.2 | -155 | 142.2 | -59 | 0 | 0 | 0 | 113.6 | ||||
| 302 | L | 41 | Very low | 38.2 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -162.7 | 148.4 | 157.4 | -74.7 | -173.5 | 0 | 0 | 0 | 107.5 | ||||
| 303 | G | 37.2 | Very low | 38.5 | Very low | 58 Ų | 58 | 136.4 Ų | 136.4 | 60% | 0.598 | 82% | 0.818 | S | S | * | * | cis | 96.6 | 125.5 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 304 | A | 38 | Very low | 38.4 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | cis | -164.8 | -173.1 | -13.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 305 | L | 40.7 | Very low | 38.6 | Very low | 182 Ų | 182 | 134 Ų | 134 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | trans | 78.1 | 144.9 | 175.2 | -48.8 | 169.3 | 0 | 0 | 0 | 116.5 | ||||
| 306 | G | 36.8 | Very low | 38.2 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | cis | 148.3 | 123.9 | -10.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 307 | D | 39.2 | Very low | 38.5 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 90.1 | 151.6 | 147.2 | -148.7 | 16.5 | 0 | 0 | 0 | 122.7 | ||||
| 308 | L | 42 | Very low | 38.5 | Very low | 159 Ų | 159 | 133 Ų | 133 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | 66.7 | 137.7 | 168.4 | -46.8 | 175.6 | 0 | 0 | 0 | 118.3 | ||||
| 309 | G | 35.8 | Very low | 38.9 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | cis | 160.3 | 131 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 310 | G | 34 | Very low | 38.8 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 102.2 | 146.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 311 | Q | 41.1 | Very low | 38.5 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | 84.6 | 80.9 | 145.1 | 87.1 | -154.1 | 27 | 0 | 0 | 124.8 | ||||
| 312 | N | 35.4 | Very low | 38.3 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | 19.3 | 134.3 | 120.5 | -53.1 | -8.1 | 0 | 0 | 0 | 123.4 | |||||
| 313 | S | 39.8 | Very low | 38 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 161 | 122.2 | 130.6 | 44.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 314 | T | 35.2 | Very low | 38.1 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | 71.1 | 105.2 | 53.4 | -48.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 315 | V | 41.6 | Very low | 37.9 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | -173.8 | 155.3 | 121.9 | -89.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 316 | S | 34 | Very low | 38.4 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -85.4 | 164.1 | -172.1 | -40.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 317 | S | 38.5 | Very low | 38.9 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 178.1 | 128.4 | 131 | -78.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 318 | L | 37.2 | Very low | 38.8 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -105.7 | 171.4 | 155.8 | -119.9 | 79.8 | 0 | 0 | 0 | 107.2 | ||||
| 319 | P | 46.1 | Very low | 38.8 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -156.6 | 167 | 40.6 | 43.6 | -21.1 | 0 | 0 | 0 | 120.6 | ||||
| 320 | K | 34.2 | Very low | 39 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 49.9 | 124.1 | 130.1 | -163.5 | 172.8 | -172.5 | 173.4 | 0 | 124.1 | ||||
| 321 | M | 43.8 | Very low | 39.4 | Very low | 184 Ų | 184 | 147 Ų | 147 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -167.7 | 172 | 148.1 | 59.6 | 178.4 | 72.6 | 0 | 0 | 110 | ||||
| 322 | E | 33.4 | Very low | 39.6 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | -156.5 | 146.4 | -68.4 | 168.6 | 167.3 | 123.8 | 0 | 0 | 109.7 | |||||
| 323 | K | 33.7 | Very low | 39.7 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 57.8 | 139.1 | 167.1 | -76.3 | 166.6 | -177.4 | 137.4 | 0 | 117.6 | ||||
| 324 | Q | 38.6 | Very low | 39.8 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | -153.2 | 169.7 | 56.1 | -74.9 | 176.8 | -13.5 | 0 | 0 | 112.4 | |||||
| 325 | Q | 34.6 | Very low | 40.2 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -149.4 | -169.8 | -169.9 | -152.1 | -154.8 | -12.5 | 0 | 0 | 110.8 | ||||
| 326 | P | 51.9 | Low | 40.2 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | -99.8 | -146.9 | -107.6 | 41.1 | -22.1 | 0 | 0 | 0 | 113.4 | |||||
| 327 | P | 46.9 | Very low | 40.2 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | -156.5 | 177.4 | 62.4 | 42.2 | -19.4 | 0 | 0 | 0 | 120.2 | |||||
| 328 | S | 36.9 | Very low | 40.1 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 68.8 | 140.1 | 155.5 | 69.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 329 | S | 42.9 | Very low | 40.2 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | cis | -165.4 | 173.7 | 35.3 | -89.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 330 | F | 38.3 | Very low | 40 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | cis | -173.7 | 163.1 | -29.8 | -153.9 | -102.5 | 0 | 0 | 0 | 108.8 | ||||
| 331 | L | 43.9 | Very low | 40.2 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 65.7 | 141.2 | -178.3 | -59.1 | 112.1 | 0 | 0 | 0 | 117.6 | ||||
| 332 | G | 45.5 | Very low | 39.8 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | -174.1 | 150.1 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 333 | N | 36 | Very low | 40.1 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -78.5 | 176.2 | 170 | -82 | 8.9 | 0 | 0 | 0 | 109.6 | ||||
| 334 | D | 43.1 | Very low | 40 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | cis | -154.7 | 152 | 40.8 | -36.8 | -64.7 | 0 | 0 | 0 | 109 | ||||
| 335 | T | 44 | Very low | 39.8 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | 177.3 | 166.2 | 56.9 | 28.9 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 336 | G | 39.9 | Very low | 39.8 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 124.4 | 91.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 337 | A | 35.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 95% | 0.95 | 82% | 0.815 | S | S | * | * | trans | -57.2 | 151.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 338 | G | 35.7 | Very low | 38.9 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | 177.9 | 78.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 339 | M | 39.7 | Very low | 39.3 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 94% | 0.941 | 83% | 0.825 | S | S | * | * | trans | -29.4 | 129.6 | 172.9 | -58.9 | -73.3 | -163.7 | 0 | 0 | 117.7 | ||||
| 340 | A | 40.7 | Very low | 39.7 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | 171.2 | 135.9 | 116.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 341 | M | 39.3 | Very low | 40.5 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 98% | 0.98 | 81% | 0.807 | S | S | * | * | trans | -84.1 | 145.4 | 174.5 | -63.2 | -133.7 | -66.4 | 0 | 0 | 111.9 | ||||
| 342 | G | 36.3 | Very low | 41.1 | Very low | 67 Ų | 67 | 122.5 Ų | 122.5 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 177.5 | 83.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 343 | S | 38.3 | Very low | 41.6 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 47.7 | 109.8 | 154.4 | 59.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 344 | A | 32 | Very low | 42.7 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -63.4 | 136.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 345 | S | 34.4 | Very low | 43.9 | Very low | 102 Ų | 102 | 121.8 Ų | 121.8 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -152.8 | 129.3 | 164 | -161.9 | 0 | 0 | 0 | 0 | 110.4 | K347 | S345-K347 PolarHBondContact O-N 3.16Å; S345-K347 VanDerWaalsContact O-N 3.08Å | ||
| 346 | A | 33.6 | Very low | 44.5 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | trans | -68.1 | 104.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 347 | K | 38.6 | Very low | 45.7 | Very low | 168 Ų | 168 | 118.3 Ų | 118.3 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | -143.9 | 49.3 | 176 | -81.9 | -168.6 | 172.2 | -179.3 | 0 | 112.5 | S345 Q351 | S345-K347 PolarHBondContact O-N 3.16Å; S345-K347 VanDerWaalsContact O-N 3.08Å; K347-Q351 PolarHBondContact O-NE2 2.91Å | ||
| 348 | Q | 41.9 | Very low | 47.4 | Very low | 167 Ų | 167 | 117.2 Ų | 117.2 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | trans | -102.2 | -17.4 | 178.6 | -120.1 | -179.8 | -6.4 | 0 | 0 | 114.9 | G350 | Q348-G350 PolarHBondContact O-N 3.08Š| ||
| 349 | E | 46 | Very low | 48.9 | Very low | 191 Ų | 191 | 119.1 Ų | 119.1 | 89% | 0.893 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -15.9 | -174.2 | -154.4 | 169.6 | 158.2 | 0 | 0 | 114.1 | ||
| 350 | G | 50.1 | Low | 50.2 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 1.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q348 | Q348-G350 PolarHBondContact O-N 3.08Š|
| 351 | Q | 54.9 | Low | 51 | Low | 128 Ų | 128 | 115.2 Ų | 115.2 | 60% | 0.598 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -94.4 | -26.9 | -174.1 | -67.6 | -172.4 | 4 | 0 | 0 | 113.8 | K347 L353 R354 H355 | K347-Q351 PolarHBondContact O-NE2 2.91Å; Q351-L353 PolarHBondContact O-N 3.48Å; Q351-R354 PolarHBondContact O-N 3.39Å; Q351-H355 PolarHBondContact O-N 3.03Å |
| 352 | T | 58.1 | Low | 51.9 | Low | 91 Ų | 91 | 113 Ų | 113 | 56% | 0.558 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.1 | -49.1 | 179.9 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | R354 H355 F356 | T352-R354 PolarHBondContact O-N 2.88Å; T352-H355 PolarHBondContact O-N 3.15Å; T352-F356 PolarHBondContact O-N 3.31Å |
| 353 | L | 54.8 | Low | 52.2 | Low | 40 Ų | 40 | 112.2 Ų | 112.2 | 21% | 0.209 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -68 | -32.4 | 178.3 | -79.6 | 173.6 | 0 | 0 | 0 | 113.9 | Y65 E69 Q351 F356 F357 | Y65-L353 HydrophobicContact CD1-CD1 3.84Å; Y65-L353 HydrophobicContact CE1-CD1 4.32Å; E69-L353 HydrophobicContact CG-CD2 3.57Å; E69-L353 HydrophobicContact CG-CG 4.23Å; E69-L353 WeakPolarHBondContact OE1-CD1 3.11Å; E69-L353 WeakPolarHBondContact OE1-CG 3.18Å; Q351-L353 PolarHBondContact O-N 3.48Å; L353-F356 PolarHBondContact O-N 2.91Å; L353-F357 HydrophobicContact CD2-CE2 4.08Å; L353-F357 VanDerWaalsContact O-CD2 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.4Å; L353-F357 PolarHBondContact O-N 2.79Å |
| 354 | R | 60.1 | Low | 52.7 | Low | 180 Ų | 180 | 117.2 Ų | 117.2 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.6 | -50 | 176.9 | -80.9 | -76.4 | 175.9 | 171.5 | -3.1 | 110.3 | Q351 T352 F356 F357 D358 | Q351-R354 PolarHBondContact O-N 3.39Å; T352-R354 PolarHBondContact O-N 2.88Å; R354-F356 PolarHBondContact O-N 3.24Å; R354-F357 PolarHBondContact O-N 3.12Å; R354-D358 VanDerWaalsContact O-CB 3.29Å; R354-D358 WeakPolarHBondContact O-CB 3.47Å; R354-D358 PolarHBondContact O-N 2.87Å |
| 355 | H | 67.6 | Low | 53.6 | Low | 129 Ų | 129 | 118.7 Ų | 118.7 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.9 | -34.6 | 176.9 | -161.3 | -53.7 | 0 | 0 | 0 | 112.7 | Q351 T352 E359 | Q351-H355 PolarHBondContact O-N 3.03Å; T352-H355 PolarHBondContact O-N 3.15Å; H355-E359 PolarHBondContact O-N 3.12Å |
| 356 | F | 56.9 | Low | 54.2 | Low | 48 Ų | 48 | 118.9 Ų | 118.9 | 21% | 0.211 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -67.1 | -49.7 | 176.8 | -176.9 | -97.9 | 0 | 0 | 0 | 112.9 | A72 T352 L353 R354 D358 W360 | A72-F356 HydrophobicContact CB-CD1 4.27Å; A72-F356 HydrophobicContact CB-CD2 4.23Å; A72-F356 HydrophobicContact CB-CE1 3.61Å; A72-F356 HydrophobicContact CB-CE2 3.58Å; A72-F356 HydrophobicContact CB-CZ 3.22Å; T352-F356 PolarHBondContact O-N 3.31Å; L353-F356 PolarHBondContact O-N 2.91Å; R354-F356 PolarHBondContact O-N 3.24Å; F356-D358 VanDerWaalsContact C-N 3.29Å; F356-D358 PolarHBondContact O-N 2.85Å; F356-W360 AromaticContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CZ3 4Å; F356-W360 AromaticContact CZ-CE3 3.94Å; F356-W360 HydrophobicContact CZ-CE3 3.94Å; F356-W360 AromaticContact CZ-CZ3 3.81Å; F356-W360 HydrophobicContact CZ-CZ3 3.81Å; F356-W360 PolarHBondContact O-N 2.99Å |
| 357 | F | 65.8 | Low | 54.7 | Low | 104 Ų | 104 | 123.4 Ų | 123.4 | 46% | 0.456 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.2 | -23.2 | 178.3 | -72.1 | -67.1 | 0 | 0 | 0 | 113.1 | L68 L353 R354 W360 | L68-F357 HydrophobicContact CD2-CZ 4.4Å; L353-F357 HydrophobicContact CD2-CE2 4.08Å; L353-F357 VanDerWaalsContact O-CD2 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.4Å; L353-F357 PolarHBondContact O-N 2.79Å; R354-F357 PolarHBondContact O-N 3.12Å; F357-W360 WeakPolarHBondContact O-CB 2.99Å |
| 358 | D | 70.6 | Confident | 55.2 | Low | 91 Ų | 91 | 121.1 Ų | 121.1 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77 | -32 | 179.2 | -80.9 | -43.2 | 0 | 0 | 0 | 113.9 | R354 F356 K362 | R354-D358 VanDerWaalsContact O-CB 3.29Å; R354-D358 WeakPolarHBondContact O-CB 3.47Å; R354-D358 PolarHBondContact O-N 2.87Å; F356-D358 VanDerWaalsContact C-N 3.29Å; F356-D358 PolarHBondContact O-N 2.85Å; D358-K362 PolarHBondContact O-NZ 3Å; D358-K362 IonicContact OD1-NZ 3.15Å; D358-K362 PolarHBondContact OD1-NZ 3.17Å; D358-K362 VanDerWaalsContact OD1-NZ 3.15Å |
| 359 | E | 67.6 | Low | 54.9 | Low | 117 Ų | 117 | 116.6 Ų | 116.6 | 55% | 0.547 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -83.7 | -7.1 | 174.9 | -161.3 | -178.7 | -169.2 | 0 | 0 | 113 | K76 H355 | K76-E359 IonicContact NZ-OE1 2.9Å; K76-E359 IonicContact NZ-OE2 2.69Å; K76-E359 PolarHBondContact NZ-OE2 3.06Å; H355-E359 PolarHBondContact O-N 3.12Å |
| 360 | W | 65.4 | Low | 54.9 | Low | 119 Ų | 119 | 116 Ų | 116 | 45% | 0.451 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -57.9 | 138.6 | 177.5 | -168 | -89.2 | 0 | 0 | 0 | 111.3 | Y75 F356 F357 K362 | Y75-W360 HydrophobicContact CD1-CH2 4.48Å; Y75-W360 HydrophobicContact CD1-CZ3 4.4Å; Y75-W360 HydrophobicContact CE1-CH2 4.17Å; Y75-W360 HydrophobicContact CE1-CZ3 4.33Å; F356-W360 AromaticContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CZ3 4Å; F356-W360 AromaticContact CZ-CE3 3.94Å; F356-W360 HydrophobicContact CZ-CE3 3.94Å; F356-W360 AromaticContact CZ-CZ3 3.81Å; F356-W360 HydrophobicContact CZ-CZ3 3.81Å; F356-W360 PolarHBondContact O-N 2.99Å; F357-W360 WeakPolarHBondContact O-CB 2.99Å; W360-K362 WeakPolarHBondContact O-CG 3.18Å; W360-K362 PolarHBondContact O-N 2.91Å |
| 361 | P | 59.2 | Low | 54.4 | Low | 91 Ų | 91 | 118.5 Ų | 118.5 | 59% | 0.591 | 61% | 0.608 | S | S | * | * | trans | -61.4 | 101.2 | 179.2 | 23 | -33.1 | 0 | 0 | 0 | 111.2 | A363 | P361-A363 VanDerWaalsContact C-N 3.29Å; P361-A363 PolarHBondContact O-N 3.46Å | ||
| 362 | K | 57.7 | Low | 53.6 | Low | 151 Ų | 151 | 119.5 Ų | 119.5 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | trans | -81.9 | 2.7 | -174.8 | -81.4 | 158 | 178.2 | 167.2 | 0 | 114.3 | D358 W360 | D358-K362 PolarHBondContact O-NZ 3Å; D358-K362 IonicContact OD1-NZ 3.15Å; D358-K362 PolarHBondContact OD1-NZ 3.17Å; D358-K362 VanDerWaalsContact OD1-NZ 3.15Å; W360-K362 WeakPolarHBondContact O-CG 3.18Å; W360-K362 PolarHBondContact O-N 2.91Å | ||
| 363 | A | 43.3 | Very low | 52.9 | Low | 51 Ų | 51 | 124.3 Ų | 124.3 | 42% | 0.421 | 63% | 0.634 | S | S | . | * | trans | -138.5 | 144.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P361 D365 | P361-A363 VanDerWaalsContact C-N 3.29Å; P361-A363 PolarHBondContact O-N 3.46Å; A363-D365 PolarHBondContact O-N 2.77Å | ||
| 364 | R | 48 | Very low | 52.1 | Low | 221 Ų | 221 | 129 Ų | 129 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 7.1 | -178.4 | -145.9 | 168 | 78.2 | 174.7 | 6.4 | 112.4 | ||
| 365 | D | 50.6 | Low | 51.1 | Low | 141 Ų | 141 | 125.4 Ų | 125.4 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 2.3 | -158.5 | -41.6 | -68.9 | 0 | 0 | 0 | 112.8 | A363 | A363-D365 PolarHBondContact O-N 2.77Š|
| 366 | S | 46.6 | Very low | 49.7 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | trans | -101.4 | 16.2 | 177.3 | -59 | 0 | 0 | 0 | 0 | 114.2 | P368 | S366-P368 WeakPolarHBondContact O-CD 3.22Š| ||
| 367 | W | 45.5 | Very low | 49.1 | Very low | 201 Ų | 201 | 129.2 Ų | 129.2 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -69.8 | 119.6 | 166.7 | -69.7 | 97.3 | 0 | 0 | 0 | 108.7 | G369 | W367-G369 PolarHBondContact O-N 3.1Š|
| 368 | P | 49 | Very low | 47.7 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123.1 | 176.2 | 24.3 | -30.2 | 0 | 0 | 0 | 108.6 | S366 L370 | S366-P368 WeakPolarHBondContact O-CD 3.22Å; P368-L370 PolarHBondContact O-N 3.13Å |
| 369 | G | 34.3 | Very low | 46.1 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 120.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W367 S371 | W367-G369 PolarHBondContact O-N 3.1Å; G369-S371 PolarHBondContact O-N 3.46Å; G369-S371 VanDerWaalsContact O-N 3.16Å |
| 370 | L | 45.9 | Very low | 45 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 94% | 0.942 | 75% | 0.753 | S | S | * | * | trans | -68.3 | 102.2 | 149.5 | -71.9 | 168 | 0 | 0 | 0 | 106.1 | P368 | P368-L370 PolarHBondContact O-N 3.13Š| ||
| 371 | S | 41.4 | Very low | 44.4 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -62.6 | 150.1 | -173.4 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | G369 E373 | G369-S371 PolarHBondContact O-N 3.46Å; G369-S371 VanDerWaalsContact O-N 3.16Å; S371-E373 PolarHBondContact O-N 3.1Å | ||
| 372 | D | 37.8 | Very low | 44 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -43.8 | 127.9 | 172.6 | -66.4 | -71.5 | 0 | 0 | 0 | 113.9 | ||||
| 373 | E | 43.5 | Very low | 43.7 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -159.6 | 7.7 | 150.5 | -96.6 | -142.6 | 106.9 | 0 | 0 | 115.2 | S371 | S371-E373 PolarHBondContact O-N 3.1Š| ||
| 374 | T | 38.2 | Very low | 43.9 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -125.9 | 35.7 | -179.7 | 51.6 | 0 | 0 | 0 | 0 | 114.9 | S376 | T374-S376 PolarHBondContact O-N 3.37Š| ||
| 375 | A | 37.7 | Very low | 44.2 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -76 | 45.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 376 | S | 38.1 | Very low | 43.6 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -166.5 | 98.9 | 164.6 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | T374 | T374-S376 PolarHBondContact O-N 3.37Š| ||
| 377 | L | 44.1 | Very low | 44 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 162.6 | 102.9 | 142.7 | -88 | 176.3 | 0 | 0 | 0 | 109.8 | ||
| 378 | A | 38.1 | Very low | 43.8 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 13.2 | 130.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 379 | S | 35.2 | Very low | 44 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 80.1 | 66.8 | 144.5 | -165.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 380 | F | 45.9 | Very low | 44.8 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 139.1 | 152.1 | -68.2 | -77.2 | 0 | 0 | 0 | 110.8 | ||
| 381 | P | 52.2 | Low | 45.3 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 153.7 | 175.5 | 30.5 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 382 | P | 51.7 | Low | 46.3 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 144.8 | -175.5 | 28.1 | -34.9 | 0 | 0 | 0 | 112 | ||
| 383 | A | 51.8 | Low | 46.7 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 139.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q385 | A383-Q385 PolarHBondContact O-N 2.71Š|
| 384 | T | 46.3 | Very low | 46.9 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -60.8 | 97.5 | 172.9 | 23.5 | 0 | 0 | 0 | 0 | 111.4 | L386 | T384-L386 PolarHBondContact O-N 2.8Å; T384-L386 VanDerWaalsContact O-N 3.09Å | ||
| 385 | Q | 55 | Low | 47.3 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 97.1 | 168.5 | -74.9 | -134.1 | 34.8 | 0 | 0 | 110.4 | A383 S387 | A383-Q385 PolarHBondContact O-N 2.71Å; Q385-S387 PolarHBondContact O-N 2.97Å; Q385-S387 VanDerWaalsContact O-N 3.15Å; Q385-S387 PolarHBondContact OE1-OG 3.08Å | ||
| 386 | L | 38.4 | Very low | 47.9 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | -84.8 | 66.9 | 167.4 | -65.1 | 178.3 | 0 | 0 | 0 | 110.3 | T384 | T384-L386 PolarHBondContact O-N 2.8Å; T384-L386 VanDerWaalsContact O-N 3.09Å | ||
| 387 | S | 55.1 | Low | 48.3 | Very low | 62 Ų | 62 | 133.9 Ų | 133.9 | 43% | 0.434 | 78% | 0.784 | S | S | . | * | trans | -118.8 | 104.5 | 174.2 | 40.8 | 0 | 0 | 0 | 0 | 109.5 | Q385 S389 | Q385-S387 PolarHBondContact O-N 2.97Å; Q385-S387 VanDerWaalsContact O-N 3.15Å; Q385-S387 PolarHBondContact OE1-OG 3.08Å; S387-S389 PolarHBondContact O-N 2.9Å | ||
| 388 | M | 39.8 | Very low | 48.6 | Very low | 203 Ų | 203 | 132.2 Ų | 132.2 | 100% | 1 | 79% | 0.785 | S | S | * | * | trans | -77.2 | 62.4 | 176.9 | -64.4 | 179.1 | 68.6 | 0 | 0 | 111.4 | ||||
| 389 | S | 53.6 | Low | 49 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -100.7 | 124.4 | 167.8 | 46.1 | 0 | 0 | 0 | 0 | 109.6 | S387 P391 | S387-S389 PolarHBondContact O-N 2.9Å; S389-P391 WeakPolarHBondContact O-CD 3.15Å | ||
| 390 | I | 51.6 | Low | 49.6 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -60.3 | 122.1 | 176.8 | -58.8 | 168 | 0 | 0 | 0 | 108.1 | M392 | I390-M392 PolarHBondContact O-N 2.83Å; I390-M392 VanDerWaalsContact O-N 3.12Å | ||
| 391 | P | 56 | Low | 49.6 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -68.3 | 113.3 | 174 | 27.4 | -32.2 | 0 | 0 | 0 | 109 | S389 A393 | S389-P391 WeakPolarHBondContact O-CD 3.15Å; P391-A393 PolarHBondContact O-N 2.98Å | ||
| 392 | M | 62.1 | Low | 49.7 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -60.5 | 128.7 | 161.4 | -83.7 | 167.7 | 50.9 | 0 | 0 | 108.1 | I390 S394 | I390-M392 PolarHBondContact O-N 2.83Å; I390-M392 VanDerWaalsContact O-N 3.12Å; M392-S394 PolarHBondContact O-N 2.86Å; M392-S394 VanDerWaalsContact O-N 3.11Å | ||
| 393 | A | 47 | Very low | 49.8 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -67.1 | 110.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P391 S395 | P391-A393 PolarHBondContact O-N 2.98Å; A393-S395 PolarHBondContact O-N 3.12Å | ||
| 394 | S | 47 | Very low | 50.2 | Low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -76.9 | 106.5 | 168.7 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | M392 D396 | M392-S394 PolarHBondContact O-N 2.86Å; M392-S394 VanDerWaalsContact O-N 3.11Å; S394-D396 PolarHBondContact O-N 3.48Å | ||
| 395 | S | 47.1 | Very low | 50.8 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -89.8 | 83.2 | 175.2 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | A393 | A393-S395 PolarHBondContact O-N 3.12Š| ||
| 396 | D | 50.6 | Low | 51 | Low | 150 Ų | 150 | 131.3 Ų | 131.3 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -99.7 | 119.8 | 172.3 | -76.2 | -51.3 | 0 | 0 | 0 | 111.2 | S394 | S394-D396 PolarHBondContact O-N 3.48Š| ||
| 397 | F | 46.5 | Very low | 51.9 | Low | 187 Ų | 187 | 130.3 Ų | 130.3 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -71.1 | 139.1 | 175.7 | -77.9 | -107.7 | 0 | 0 | 0 | 110.4 | ||||
| 398 | S | 49.7 | Very low | 52 | Low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -134.4 | 91.6 | 161.5 | -77.8 | 0 | 0 | 0 | 0 | 109.5 | A400 | S398-A400 PolarHBondContact O-N 3.47Š| ||
| 399 | V | 47 | Very low | 52.6 | Low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -73 | 109.2 | 167.4 | 172.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 400 | A | 47 | Very low | 52.5 | Low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -115.4 | 113.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | S398 S402 | S398-A400 PolarHBondContact O-N 3.47Å; A400-S402 PolarHBondContact O-N 3.07Å | ||
| 401 | S | 45.8 | Very low | 52.6 | Low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -65.5 | 127.8 | -178.3 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 402 | S | 55.5 | Low | 52.4 | Low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -109.3 | 96 | 160.6 | 62 | 0 | 0 | 0 | 0 | 109 | A400 | A400-S402 PolarHBondContact O-N 3.07Š| ||
| 403 | Q | 52.5 | Low | 51.8 | Low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -72.5 | 126.9 | 179 | -167 | 174.4 | 29.9 | 0 | 0 | 110.1 | ||||
| 404 | S | 61.2 | Low | 52.1 | Low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | trans | -119.8 | 120.9 | 169.4 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 405 | P | 58.7 | Low | 52.5 | Low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 83% | 0.831 | S | S | * | * | trans | -87.9 | 143.1 | 179.3 | 34.7 | -32.9 | 0 | 0 | 0 | 111.7 | ||||
| 406 | N | 58.1 | Low | 52.9 | Low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | trans | -170.8 | 143 | 131.3 | -100 | -20.8 | 0 | 0 | 0 | 110.8 | ||||
| 407 | D | 57.1 | Low | 53.1 | Low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | trans | -76.3 | 138.8 | -179.9 | -51.3 | -109.1 | 0 | 0 | 0 | 112.7 | ||||
| 408 | D | 58 | Low | 53.7 | Low | 242 Ų | 242 | 138.9 Ų | 138.9 | 100% | 1.294 | 85% | 0.845 | S | S | * | * | -173.8 | 0 | 127.2 | -110.9 | -49.9 | 0 | 0 | 0 | 109.7 |
Retrieved 408 of 408 residues in 168.6 ms
(Link to these results)