| 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 | 37.8 | Very low | 34.6 | Very low | 244 Ų | 244 | 149.7 Ų | 149.7 | 100% | 1.202 | 86% | 0.859 | S | S | * | * | 0 | 91 | 0 | -78.7 | 177.6 | 166.5 | 0 | 0 | 107 | |||||
| 2 | E | 37.6 | Very low | 34.4 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 86% | 0.857 | S | S | * | * | trans | -142 | 101.3 | 172.3 | -68.5 | -169.6 | 146.4 | 0 | 0 | 106.9 | ||||
| 3 | E | 33.4 | Very low | 34.1 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 85% | 0.85 | 86% | 0.855 | S | S | * | * | trans | -104 | 127.9 | 173.9 | -72 | -171 | 142.7 | 0 | 0 | 109.4 | V5 | E3-V5 PolarHBondContact O-N 3.34Š| ||
| 4 | P | 44.6 | Very low | 34.1 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 85% | 0.846 | S | S | * | * | trans | -77.1 | 113.3 | 174.4 | 30.2 | -31.9 | 0 | 0 | 0 | 110.2 | S6 | P4-S6 PolarHBondContact O-N 3.04Š| ||
| 5 | V | 35.6 | Very low | 33.8 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 76% | 0.758 | 85% | 0.851 | S | S | * | * | trans | -67.9 | 105.3 | 178.9 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | E3 K7 | E3-V5 PolarHBondContact O-N 3.34Å; V5-K7 HydrophobicContact CG1-CG 4.46Å; V5-K7 PolarHBondContact O-N 3.36Å | ||
| 6 | S | 32.7 | Very low | 33.7 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | trans | -65.8 | 120.7 | 169.8 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | P4 | P4-S6 PolarHBondContact O-N 3.04Š| ||
| 7 | K | 37 | Very low | 33.6 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 84% | 0.843 | 85% | 0.847 | S | S | * | * | trans | -108.9 | 127.5 | 167.1 | -81.8 | -171.5 | 174.1 | -179.6 | 0 | 111.5 | V5 | V5-K7 HydrophobicContact CG1-CG 4.46Å; V5-K7 PolarHBondContact O-N 3.36Å | ||
| 8 | T | 32.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 87% | 0.871 | 85% | 0.848 | S | S | * | * | trans | -51.4 | 139.2 | -170.3 | -23.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 9 | A | 27.2 | Very low | 33.2 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | trans | -84.2 | 135.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 10 | A | 30.3 | Very low | 32.9 | Very low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 84% | 0.84 | S | S | * | * | trans | -164.8 | 160.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | V | 31.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | trans | 105.8 | 89.8 | 168.8 | -174.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 12 | V | 31.8 | Very low | 32.4 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | 73.5 | 123.8 | 139.4 | -178.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 13 | D | 30.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -73.2 | 165.2 | -172.9 | -65.4 | -84.9 | 0 | 0 | 0 | 117.6 | ||||
| 14 | V | 34.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 143 Ų | 143 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -81 | 128.1 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | N16 | V14-N16 PolarHBondContact O-N 3.21Š| ||
| 15 | F | 30.1 | Very low | 31 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | trans | -63.3 | 113.9 | 168.2 | -108 | -100.5 | 0 | 0 | 0 | 111.2 | ||||
| 16 | N | 31.9 | Very low | 30.7 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | -128.6 | 89.3 | 178.1 | -113.3 | -44.8 | 0 | 0 | 0 | 111.1 | V14 R18 | V14-N16 PolarHBondContact O-N 3.21Å; N16-R18 PolarHBondContact O-N 3.44Å; N16-R18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | A | 32 | Very low | 30.9 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -80.5 | 91.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 18 | R | 30.2 | Very low | 31.4 | Very low | 228 Ų | 228 | 141.3 Ų | 141.3 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -98.6 | 98.9 | 179.2 | -167.3 | 174.3 | -170.4 | 165.5 | 3.2 | 111.8 | N16 N20 | N16-R18 PolarHBondContact O-N 3.44Å; N16-R18 VanDerWaalsContact O-N 3.15Å; R18-N20 PolarHBondContact O-N 3.15Å | ||
| 19 | A | 29.4 | Very low | 31.6 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -71.9 | 122.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 20 | N | 27.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -163 | 108 | 171.3 | -120.6 | -3.7 | 0 | 0 | 0 | 110.5 | R18 | R18-N20 PolarHBondContact O-N 3.15Š| ||
| 21 | N | 31.2 | Very low | 31.4 | Very low | 140 Ų | 140 | 150 Ų | 150 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | trans | 176.4 | 115.8 | 155.6 | -94.3 | -24.6 | 0 | 0 | 0 | 107.6 | ||||
| 22 | Q | 30.3 | Very low | 31.3 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | 99.5 | 141.7 | 69.4 | -87.7 | -166.3 | 20.6 | 0 | 0 | 111.5 | |||||
| 23 | K | 25.8 | Very low | 31.1 | Very low | 213 Ų | 213 | 151 Ų | 151 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -85.8 | 147.3 | -176.3 | -66.8 | 173.4 | 176.5 | 174.4 | 0 | 111 | ||||
| 24 | A | 32.9 | Very low | 31 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -134.7 | 153.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 25 | S | 27.1 | Very low | 30.7 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -142.2 | 140.1 | -173.2 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 26 | N | 29.2 | Very low | 30.5 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -148.4 | 139.7 | 171.8 | -99.2 | -31.3 | 0 | 0 | 0 | 111.3 | ||||
| 27 | P | 36.8 | Very low | 30.3 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -110.4 | -150.8 | 178.1 | 46.2 | -36.4 | 0 | 0 | 0 | 111.2 | ||||
| 28 | P | 47.7 | Very low | 30 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | -127 | 176.8 | -115.8 | 35.2 | -13.4 | 0 | 0 | 0 | 116.2 | |||||
| 29 | S | 35.4 | Very low | 29.7 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -138.6 | 161.3 | 170.2 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | Q | 28.2 | Very low | 29.8 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -133.5 | 150.3 | -170 | -56.7 | 173.3 | -8 | 0 | 0 | 111.7 | ||||
| 31 | R | 25.5 | Very low | 29.8 | Very low | 216 Ų | 216 | 143 Ų | 143 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | 161.5 | 140.9 | 127.5 | -96.7 | -175.2 | 152 | 155.1 | -5.7 | 114.4 | |||||
| 32 | L | 29.9 | Very low | 29.6 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | 51.6 | 152.8 | 142.7 | -49.3 | 173.9 | 0 | 0 | 0 | 119 | ||||
| 33 | E | 28.1 | Very low | 29.4 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | cis | -170.4 | 179.2 | -11.5 | -112.1 | 179.3 | -60.7 | 0 | 0 | 107.3 | ||||
| 34 | S | 27.7 | Very low | 29.5 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 79% | 0.794 | S | S | * | * | cis | -164.9 | 175.9 | -9.9 | 52.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 35 | S | 28.5 | Very low | 29.3 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | 61.1 | 157.4 | 151.3 | 55.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 36 | Y | 26.5 | Very low | 29.5 | Very low | 217 Ų | 217 | 142.6 Ų | 142.6 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | cis | -164.4 | 158.1 | -31.1 | -108.1 | -57.9 | 0 | 0 | 0 | 110.1 | ||||
| 37 | C | 26.8 | Very low | 29.4 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 72% | 0.716 | 79% | 0.787 | S | S | * | * | trans | 60 | 142.2 | 164.3 | -56.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 38 | T | 25.2 | Very low | 29.1 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | 98.5 | 111.2 | 9.5 | 73 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 39 | C | 23.7 | Very low | 28.3 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | 74.6 | 123.3 | 145.5 | -62.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 40 | A | 31.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -149.5 | 151.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 41 | H | 28.5 | Very low | 27.8 | Very low | 173 Ų | 173 | 139 Ų | 139 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -126.3 | 151.2 | -171.4 | -90.5 | -69.8 | 0 | 0 | 0 | 113.6 | ||||
| 42 | S | 26.9 | Very low | 28.2 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 46.4 | 117.9 | 144.5 | 66.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 43 | G | 26.4 | Very low | 28.2 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | 107.2 | 164 | 89.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 44 | R | 27.4 | Very low | 28.8 | Very low | 252 Ų | 252 | 134.9 Ų | 134.9 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | trans | 86 | 137 | 165.4 | -68.1 | -172.7 | 169.4 | -175.3 | -3 | 120.7 | ||||
| 45 | N | 27.5 | Very low | 28.8 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -78.7 | 141.1 | 177.2 | -47.7 | -15.5 | 0 | 0 | 0 | 112.4 | ||||
| 46 | T | 33.2 | Very low | 28.9 | Very low | 143 Ų | 143 | 144 Ų | 144 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -157.4 | 144.4 | 140.9 | 42.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 47 | G | 27 | Very low | 28.9 | Very low | 63 Ų | 63 | 137.4 Ų | 137.4 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | 132.7 | 144.8 | 12.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 48 | E | 29.7 | Very low | 29 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 70 | 152.6 | 179.6 | -47.9 | -152.6 | 145.8 | 0 | 0 | 115.3 | ||||
| 49 | K | 30.1 | Very low | 29.2 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 60% | 0.596 | 79% | 0.791 | S | S | * | * | cis | -159.8 | 159.8 | -14.4 | -115 | 169.6 | -169.1 | 147.3 | 0 | 109.6 | ||||
| 50 | Q | 27.9 | Very low | 29.5 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 15.6 | 152.4 | 134.2 | -58.5 | -176.4 | -93.1 | 0 | 0 | 120.2 | ||||
| 51 | D | 26.8 | Very low | 29.3 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | cis | -172.6 | -177.5 | -10.9 | -89.2 | -30.4 | 0 | 0 | 0 | 105.2 | ||||
| 52 | I | 32.1 | Very low | 29.4 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | 109.2 | 87.7 | 169.5 | -56.7 | 165 | 0 | 0 | 0 | 115.3 | ||||
| 53 | D | 30.8 | Very low | 29.5 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -73.4 | 173.7 | 140.7 | -79.8 | -53.9 | 0 | 0 | 0 | 110 | ||||
| 54 | P | 40.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | cis | -140.8 | 174.5 | 17.2 | 40.8 | -20.7 | 0 | 0 | 0 | 118.2 | ||||
| 55 | E | 28.4 | Very low | 29.9 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 37.4 | 123.7 | 142.3 | -65.8 | -179 | 118 | 0 | 0 | 122.1 | ||||
| 56 | M | 31.6 | Very low | 29.9 | Very low | 192 Ų | 192 | 138 Ų | 138 | 95% | 0.946 | 78% | 0.784 | S | S | * | * | -149.5 | 126.7 | 104.9 | -140.2 | 175.3 | -168.8 | 0 | 0 | 112 | |||||
| 57 | A | 25.7 | Very low | 29.6 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | trans | -76.3 | 168.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 58 | W | 29.1 | Very low | 29.8 | Very low | 240 Ų | 240 | 141.9 Ų | 141.9 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | -139.6 | 145.2 | 53.7 | -72.8 | 16.4 | 0 | 0 | 0 | 109.9 | |||||
| 59 | A | 28.1 | Very low | 29.7 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 41.5 | 133.9 | 91.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 60 | S | 30.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | cis | -142.7 | 155.2 | 15.2 | 52 | 0 | 0 | 0 | 0 | 114 | ||||
| 61 | E | 27.6 | Very low | 29.4 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 95% | 0.949 | 81% | 0.808 | S | S | * | * | trans | -86.3 | 147.2 | 171.6 | -64.5 | -172.4 | 134 | 0 | 0 | 112.2 | ||||
| 62 | G | 31.1 | Very low | 29.6 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -147.1 | 131.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 63 | A | 28.7 | Very low | 29.3 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -84.4 | 139.2 | -167 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 64 | T | 31.4 | Very low | 29 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | -170.9 | 161 | 119.9 | 19.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 65 | H | 30 | Very low | 28.5 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -56.7 | 127.6 | -168 | -86.3 | -92.6 | 0 | 0 | 0 | 118.6 | ||||
| 66 | S | 27.6 | Very low | 28.5 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | 24.5 | 114.3 | 127.4 | 62.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 67 | S | 27.8 | Very low | 28.4 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -133.8 | 131.1 | 140.4 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 68 | I | 30.2 | Very low | 28.4 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -129.5 | 121 | 172.2 | -72.1 | -179 | 0 | 0 | 0 | 107.1 | ||||
| 69 | T | 28.5 | Very low | 28.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -79.3 | 139.1 | -179.3 | 42.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 70 | R | 25.9 | Very low | 28.4 | Very low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -136.6 | 107.6 | 166.8 | -152.8 | 173.6 | -166.3 | 176 | 4.3 | 109.9 | ||||
| 71 | S | 25 | Very low | 28.1 | Very low | 86 Ų | 86 | 147.6 Ų | 147.6 | 60% | 0.601 | 82% | 0.822 | S | S | * | * | trans | -99.3 | 138 | 176 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | Y73 | S71-Y73 WeakPolarHBondContact OG-CE2 3.4Š| ||
| 72 | T | 31.2 | Very low | 28.4 | Very low | 135 Ų | 135 | 142 Ų | 142 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | -141.8 | 130.9 | 166.4 | 37.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 73 | Y | 25.2 | Very low | 28.3 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -91.4 | 162.6 | -160.8 | -83.8 | -101.3 | 0 | 0 | 0 | 115 | S71 | S71-Y73 WeakPolarHBondContact OG-CE2 3.4Š| ||
| 74 | L | 24.9 | Very low | 28.1 | Very low | 166 Ų | 166 | 152 Ų | 152 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -79.9 | 142.8 | 172.7 | -67.7 | 157.6 | 0 | 0 | 0 | 112.4 | ||||
| 75 | T | 30 | Very low | 28 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -147.2 | 106.3 | 153.3 | 32.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 76 | S | 29.1 | Very low | 27.9 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | 86.3 | 95.3 | 64.9 | 72.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 77 | F | 29.4 | Very low | 27.8 | Very low | 223 Ų | 223 | 147.8 Ų | 147.8 | 98% | 0.978 | 82% | 0.824 | S | S | * | * | trans | -133.3 | 137.5 | 149.9 | -93.8 | -83.2 | 0 | 0 | 0 | 107.8 | ||||
| 78 | G | 26.2 | Very low | 28 | Very low | 73 Ų | 73 | 147.2 Ų | 147.2 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | -159.4 | 139.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 79 | R | 28 | Very low | 27.9 | Very low | 233 Ų | 233 | 143.6 Ų | 143.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 178.9 | 146.2 | 173.1 | -106.1 | -171.8 | 172.8 | -172.5 | -3.7 | 105.8 | ||||
| 80 | L | 28.5 | Very low | 28 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | cis | -135.3 | 170.7 | 1.4 | -95.5 | 166.3 | 0 | 0 | 0 | 109.4 | ||||
| 81 | S | 24.6 | Very low | 28.2 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -120.8 | 142.7 | 171.1 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 82 | A | 32.5 | Very low | 28.3 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | trans | -152.8 | 114.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 83 | E | 29.8 | Very low | 28.1 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 55.1 | 98.3 | 78.9 | -60.1 | -154.8 | 126.2 | 0 | 0 | 111.9 | |||||
| 84 | K | 25.1 | Very low | 28.4 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | 73.8 | 118 | 74.8 | -83.1 | -167.4 | 171.1 | -177.6 | 0 | 113.8 | |||||
| 85 | G | 28.9 | Very low | 28.4 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 130.6 | 138.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 86 | G | 28 | Very low | 28.3 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | cis | -160.9 | 172.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 87 | N | 25.4 | Very low | 28.3 | Very low | 174 Ų | 174 | 137 Ų | 137 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -79.8 | 139.4 | -171.2 | -60.1 | -12.3 | 0 | 0 | 0 | 113.3 | ||||
| 88 | S | 32.3 | Very low | 28.1 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -147 | 112.6 | 151.9 | 56.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 89 | S | 28.5 | Very low | 28.4 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | 82.3 | 101.1 | 52.3 | 77.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 90 | D | 29.1 | Very low | 28.3 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 82.3 | 151.3 | 143.6 | -48.8 | -32.5 | 0 | 0 | 0 | 121.6 | ||||
| 91 | L | 30.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | 59.3 | 113.2 | -170.1 | -75.3 | 77.1 | 0 | 0 | 0 | 114.9 | ||||
| 92 | A | 26.7 | Very low | 28.3 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | 85.4 | 139.9 | 37.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 93 | D | 27.9 | Very low | 28 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 50.7 | 101.8 | 174.7 | -59.9 | -17.7 | 0 | 0 | 0 | 118.5 | ||||
| 94 | L | 30.7 | Very low | 27.8 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | -178.6 | 116.5 | 102.9 | -92.8 | 166.8 | 0 | 0 | 0 | 112 | |||||
| 95 | T | 24.6 | Very low | 27.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -113.5 | 159.7 | 155.6 | 57.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 96 | P | 27.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | cis | -138.6 | -156.6 | 21.5 | 44.7 | -26.1 | 0 | 0 | 0 | 114.8 | ||||
| 97 | S | 29.1 | Very low | 27.7 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 76.6 | 113.4 | 166.7 | 62.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 98 | Q | 25.9 | Very low | 27.8 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 165.7 | 160.7 | -55.8 | 173.1 | -86.4 | 0 | 0 | 109.7 | ||||
| 99 | P | 31.8 | Very low | 27.5 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | -124.5 | 138 | 85.7 | 35.5 | -31.1 | 0 | 0 | 0 | 114 | |||||
| 100 | S | 27.7 | Very low | 27.3 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -65.3 | 148.1 | 155.6 | 45.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 101 | G | 26 | Very low | 27.1 | Very low | 52 Ų | 52 | 142.8 Ų | 142.8 | 54% | 0.536 | 79% | 0.788 | S | S | . | * | cis | 103.3 | 90.5 | 14.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | W103 | G101-W103 PolarHBondContact O-N 3.23Š| ||
| 102 | D | 27.1 | Very low | 26.9 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -65.7 | 112.3 | -175.5 | -57.9 | -80.8 | 0 | 0 | 0 | 111.8 | ||||
| 103 | W | 25.3 | Very low | 26.9 | Very low | 225 Ų | 225 | 145.2 Ų | 145.2 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -118.1 | 108 | 174.3 | -82.1 | 54.3 | 0 | 0 | 0 | 109.6 | G101 T105 | G101-W103 PolarHBondContact O-N 3.23Å; W103-T105 PolarHBondContact O-N 3.2Å | ||
| 104 | W | 25.6 | Very low | 26.7 | Very low | 259 Ų | 259 | 140.9 Ų | 140.9 | 98% | 0.981 | 78% | 0.779 | S | S | * | * | trans | -71.1 | 117.1 | 161.9 | -74.3 | 53.4 | 0 | 0 | 0 | 107.6 | ||||
| 105 | T | 27.6 | Very low | 26.5 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | trans | -107.7 | 120 | 171.7 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | W103 E107 | W103-T105 PolarHBondContact O-N 3.2Å; T105-E107 PolarHBondContact O-N 3.31Å | ||
| 106 | D | 25.3 | Very low | 26.5 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -62.6 | 101.6 | 171 | -74.1 | -54.7 | 0 | 0 | 0 | 110.6 | T108 | D106-T108 PolarHBondContact O-N 2.87Š| ||
| 107 | E | 26.6 | Very low | 26.5 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -78.1 | 78.7 | 165.8 | -72.9 | -154 | 142.2 | 0 | 0 | 110.8 | T105 | T105-E107 PolarHBondContact O-N 3.31Š| ||
| 108 | T | 28.2 | Very low | 26.4 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | trans | 45.9 | 108.6 | 146.4 | 56.6 | 0 | 0 | 0 | 0 | 117.9 | D106 T110 | D106-T108 PolarHBondContact O-N 2.87Å; T108-T110 VanDerWaalsContact C-N 3.26Å; T108-T110 PolarHBondContact O-N 2.94Å | ||
| 109 | E | 24.9 | Very low | 26.5 | Very low | 204 Ų | 204 | 138.8 Ų | 138.8 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | trans | -60.6 | 83.9 | 160.6 | -65.6 | -173 | 129.6 | 0 | 0 | 111.4 | S111 | E109-S111 PolarHBondContact O-N 3.06Š| ||
| 110 | T | 26.2 | Very low | 26.3 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | -75.7 | 80.9 | 168.4 | 42.2 | 0 | 0 | 0 | 0 | 109.3 | T108 I112 | T108-T110 VanDerWaalsContact C-N 3.26Å; T108-T110 PolarHBondContact O-N 2.94Å; T110-I112 PolarHBondContact O-N 3.14Å | ||
| 111 | S | 23.6 | Very low | 26.3 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -63 | 79 | 170.3 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | E109 D113 | E109-S111 PolarHBondContact O-N 3.06Å; S111-D113 PolarHBondContact O-N 3.11Å | ||
| 112 | I | 27.6 | Very low | 26.6 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 117.8 | 170.4 | -64.8 | 177.4 | 0 | 0 | 0 | 107.6 | T110 | T110-I112 PolarHBondContact O-N 3.14Š| ||
| 113 | D | 26.6 | Very low | 26.8 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -64.5 | 155.9 | -166.4 | -162.3 | 7.1 | 0 | 0 | 0 | 113.5 | S111 G115 | S111-D113 PolarHBondContact O-N 3.11Å; D113-G115 PolarHBondContact O-N 3.39Å | ||
| 114 | G | 23.5 | Very low | 27.4 | Very low | 61 Ų | 61 | 135.5 Ų | 135.5 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | -69.2 | 85 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S116 | G114-S116 PolarHBondContact O-N 2.92Š| ||
| 115 | G | 24.9 | Very low | 27.9 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 59.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D113 D117 | D113-G115 PolarHBondContact O-N 3.39Å; G115-D117 PolarHBondContact O-N 3.48Å | ||
| 116 | S | 24.9 | Very low | 28.2 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -82 | 94.1 | 172.9 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | G114 | G114-S116 PolarHBondContact O-N 2.92Š| ||
| 117 | D | 27.6 | Very low | 28.5 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | -177.8 | 155 | 134.6 | -109.9 | -18.1 | 0 | 0 | 0 | 116.7 | G115 | G115-D117 PolarHBondContact O-N 3.48Š| ||
| 118 | K | 28.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 68% | 0.683 | 77% | 0.766 | S | S | * | * | trans | 56.4 | 74.2 | 148.6 | -61.5 | 168.9 | -174.3 | 100.5 | 0 | 119.1 | ||||
| 119 | L | 27.5 | Very low | 29.2 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | trans | -130.4 | 50.8 | 143 | -78.5 | -177.3 | 0 | 0 | 0 | 111.9 | ||||
| 120 | S | 26.8 | Very low | 29.9 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -103.3 | 57.9 | 176.6 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 121 | A | 29.1 | Very low | 29.9 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -151.2 | 135.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 122 | G | 30.7 | Very low | 30.6 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 129.5 | 2.3 | 164 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 123 | I | 32.9 | Very low | 30.9 | Very low | 155 Ų | 155 | 132 Ų | 132 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -119.2 | -33.1 | -176.2 | -60.5 | -176.5 | 0 | 0 | 0 | 114.8 | E125 | I123-E125 PolarHBondContact O-N 3.41Š|
| 124 | D | 36.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -23.5 | -171.9 | -103.4 | -44.2 | 0 | 0 | 0 | 115.6 | R126 L127 | D124-R126 PolarHBondContact O-N 3.15Å; D124-R126 VanDerWaalsContact O-N 3.12Å; D124-L127 PolarHBondContact O-N 2.83Å |
| 125 | E | 37.2 | Very low | 31.9 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -62.6 | -24.1 | -177.4 | -65.9 | -163.2 | 145.7 | 0 | 0 | 113.5 | I123 | I123-E125 PolarHBondContact O-N 3.41Å |
| 126 | R | 33.6 | Very low | 32.3 | Very low | 222 Ų | 222 | 133.3 Ų | 133.3 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -75.5 | -23 | 175.1 | -77.7 | -173.1 | 170.2 | -174.6 | -2.3 | 113.7 | D124 | D124-R126 PolarHBondContact O-N 3.15Å; D124-R126 VanDerWaalsContact O-N 3.12Å |
| 127 | L | 32 | Very low | 32.6 | Very low | 131 Ų | 131 | 132 Ų | 132 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.8 | -40.1 | -179.2 | -142.5 | 75.3 | 0 | 0 | 0 | 111.7 | D124 H129 V130 | D124-L127 PolarHBondContact O-N 2.83Å; L127-H129 VanDerWaalsContact C-N 3.26Å; L127-H129 PolarHBondContact O-N 3.37Å; L127-V130 PolarHBondContact O-N 3.43Å |
| 128 | A | 33.3 | Very low | 32.6 | Very low | 69 Ų | 69 | 136 Ų | 136 | 57% | 0.57 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -58.3 | -38.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V130 W131 | A128-V130 VanDerWaalsContact C-N 3.29Å; A128-V130 PolarHBondContact O-N 3.12Å; A128-W131 PolarHBondContact O-N 3.33Å |
| 129 | H | 35.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -72.9 | -16.4 | -171.1 | -138.2 | -41.8 | 0 | 0 | 0 | 115 | L127 | L127-H129 VanDerWaalsContact C-N 3.26Å; L127-H129 PolarHBondContact O-N 3.37Å |
| 130 | V | 38.3 | Very low | 33.1 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 58% | 0.576 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -79.7 | -45 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 111 | L127 A128 Q132 K133 | L127-V130 PolarHBondContact O-N 3.43Å; A128-V130 VanDerWaalsContact C-N 3.29Å; A128-V130 PolarHBondContact O-N 3.12Å; V130-Q132 PolarHBondContact O-N 2.89Å; V130-K133 PolarHBondContact O-N 3.24Å; V130-K133 VanDerWaalsContact O-N 3.09Å |
| 131 | W | 28.1 | Very low | 33.3 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -62.2 | -28.4 | -178.2 | -114.9 | 65.3 | 0 | 0 | 0 | 113.2 | A128 T134 | A128-W131 PolarHBondContact O-N 3.33Å; W131-T134 PolarHBondContact O-OG1 3.26Å |
| 132 | Q | 36.6 | Very low | 33.4 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -84 | -9.3 | 179.1 | -149.3 | 170.9 | 17.1 | 0 | 0 | 114 | V130 | V130-Q132 PolarHBondContact O-N 2.89Å |
| 133 | K | 35.6 | Very low | 33.3 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 70% | 0.7 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -90.9 | -32.7 | 174.3 | -93.7 | -174.5 | 172.8 | 179.9 | 0 | 113.2 | V130 T135 N136 | V130-K133 PolarHBondContact O-N 3.24Å; V130-K133 VanDerWaalsContact O-N 3.09Å; K133-T135 VanDerWaalsContact C-N 3.33Å; K133-T135 PolarHBondContact O-N 3.37Å; K133-N136 PolarHBondContact O-N 3.05Å |
| 134 | T | 36.3 | Very low | 33.2 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 58% | 0.583 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -71.2 | -24.4 | -178.4 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | W131 | W131-T134 PolarHBondContact O-OG1 3.26Å |
| 135 | T | 34.1 | Very low | 32.8 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 56% | 0.558 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -19.7 | 176 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | K133 | K133-T135 VanDerWaalsContact C-N 3.33Å; K133-T135 PolarHBondContact O-N 3.37Å |
| 136 | N | 32.2 | Very low | 32.6 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 9.4 | -170.2 | -68.5 | 11.5 | 0 | 0 | 0 | 113.6 | K133 | K133-N136 PolarHBondContact O-N 3.05Š|
| 137 | A | 31.3 | Very low | 32.5 | Very low | 76 Ų | 76 | 133 Ų | 133 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -87.6 | -10.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 138 | Y | 28.8 | Very low | 32.4 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -113.7 | 29.1 | -169.4 | -89.2 | -76 | 0 | 0 | 0 | 115.3 | ||
| 139 | F | 33.6 | Very low | 32.5 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | trans | -139.1 | 78.9 | 164.2 | -77.9 | -68.9 | 0 | 0 | 0 | 111.6 | ||||
| 140 | K | 32.3 | Very low | 32.3 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -129.4 | 166 | 155.3 | -78.6 | -168.4 | 172.6 | -173 | 0 | 108.7 | ||||
| 141 | D | 31.5 | Very low | 32 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | 66.9 | 50 | 171.3 | -49.3 | -19.6 | 0 | 0 | 0 | 115.7 | ||||
| 142 | A | 31.7 | Very low | 31.9 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -133.2 | 71 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G144 | A142-G144 PolarHBondContact O-N 3.04Š| ||
| 143 | G | 26.7 | Very low | 31.6 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 92.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L145 | G143-L145 PolarHBondContact O-N 3.03Š| ||
| 144 | G | 32 | Very low | 31.1 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 119.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A142 | A142-G144 PolarHBondContact O-N 3.04Š| ||
| 145 | L | 28 | Very low | 30.8 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -83.6 | 108.6 | 160.4 | -83.7 | 141.6 | 0 | 0 | 0 | 109.5 | G143 | G143-L145 PolarHBondContact O-N 3.03Š| ||
| 146 | S | 32.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -158.7 | 114.9 | 161.4 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 147 | D | 32.8 | Very low | 30.7 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | -86.4 | 122.9 | -179.1 | -125.7 | -42.4 | 0 | 0 | 0 | 112.1 | ||||
| 148 | R | 28.5 | Very low | 30.6 | Very low | 229 Ų | 229 | 147.7 Ų | 147.7 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | 58.1 | 161.2 | 152.4 | -78.7 | -170.1 | 161.9 | -152.5 | -5.1 | 121.1 | ||||
| 149 | P | 35.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | trans | -135 | 141.5 | -146.1 | 38.9 | -20 | 0 | 0 | 0 | 117 | ||||
| 150 | E | 32.2 | Very low | 30.9 | Very low | 209 Ų | 209 | 149 Ų | 149 | 98% | 0.977 | 82% | 0.816 | S | S | * | * | trans | -139.9 | 158.6 | 157 | -68.1 | -165.1 | 162.6 | 0 | 0 | 110.5 | ||||
| 151 | G | 32.1 | Very low | 30.8 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 106.6 | 56.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | V153 | G151-V153 PolarHBondContact O-N 2.97Š| ||
| 152 | S | 24.5 | Very low | 30.7 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -76.8 | 111.2 | 176.9 | 42.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 153 | V | 31.5 | Very low | 30.7 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -128.5 | 88.4 | 166.7 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | G151 V155 | G151-V153 PolarHBondContact O-N 2.97Å; V153-V155 HydrophobicContact CG1-CG2 4.26Å; V153-V155 PolarHBondContact O-N 3.25Å | ||
| 154 | F | 25.6 | Very low | 30.9 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -73 | 102.5 | 176.7 | -99.9 | -100.3 | 0 | 0 | 0 | 111.4 | S156 | F154-S156 PolarHBondContact O-N 2.79Š| ||
| 155 | V | 29.8 | Very low | 30.9 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -97.7 | 77.9 | 166.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | V153 R157 | V153-V155 HydrophobicContact CG1-CG2 4.26Å; V153-V155 PolarHBondContact O-N 3.25Å; V155-R157 PolarHBondContact O-N 3.2Å | ||
| 156 | S | 32.4 | Very low | 30.9 | Very low | 86 Ų | 86 | 149.8 Ų | 149.8 | 60% | 0.601 | 80% | 0.8 | S | S | * | * | trans | -70.9 | 81.2 | -175.7 | 42.6 | 0 | 0 | 0 | 0 | 112.9 | F154 L158 | F154-S156 PolarHBondContact O-N 2.79Å; S156-L158 PolarHBondContact O-N 2.94Å | ||
| 157 | R | 30.4 | Very low | 30.9 | Very low | 228 Ų | 228 | 149.5 Ų | 149.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -70.4 | 67.8 | 170.9 | -70.5 | -170.5 | 172.6 | -162.9 | -1.8 | 112.2 | V155 K159 | V155-R157 PolarHBondContact O-N 3.2Å; R157-K159 PolarHBondContact O-N 2.96Å | ||
| 158 | L | 31.1 | Very low | 30.8 | Very low | 143 Ų | 143 | 146 Ų | 146 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -64.9 | 121.8 | 177.3 | -118.8 | 74.1 | 0 | 0 | 0 | 111.1 | S156 R160 | S156-L158 PolarHBondContact O-N 2.94Å; L158-R160 PolarHBondContact O-N 3.04Å; L158-R160 VanDerWaalsContact O-N 3.08Å | ||
| 159 | K | 34.2 | Very low | 30.6 | Very low | 210 Ų | 210 | 143.7 Ų | 143.7 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 91.4 | 174.7 | -63.9 | 175.5 | -178 | 173.2 | 0 | 110 | R157 | R157-K159 PolarHBondContact O-N 2.96Š| ||
| 160 | R | 32.8 | Very low | 30.3 | Very low | 233 Ų | 233 | 146.2 Ų | 146.2 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -75 | 131.8 | 164.2 | -74 | -176.5 | 171.3 | 170.4 | -2.4 | 109.5 | L158 | L158-R160 PolarHBondContact O-N 3.04Å; L158-R160 VanDerWaalsContact O-N 3.08Å | ||
| 161 | S | 31.9 | Very low | 30.4 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -78.1 | 154.7 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | A163 | S161-A163 PolarHBondContact O-N 2.91Š| ||
| 162 | P | 28.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -74.6 | 14.3 | -168.6 | -19.7 | 34.9 | 0 | 0 | 0 | 116.8 | ||
| 163 | A | 31.1 | Very low | 30.2 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -93.8 | 8.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S161 | S161-A163 PolarHBondContact O-N 2.91Š|
| 164 | M | 30.7 | Very low | 30 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | trans | -126 | 11.1 | -165.2 | -82.6 | -74.5 | -68.9 | 0 | 0 | 115.7 | ||||
| 165 | I | 33.9 | Very low | 30.2 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -108.4 | 37.5 | -169 | -36.8 | -177.1 | 0 | 0 | 0 | 112.7 | ||||
| 166 | L | 27.8 | Very low | 29.9 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -144.7 | 56.6 | 176.4 | -83.5 | -180 | 0 | 0 | 0 | 113.1 | ||
| 167 | S | 31.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -152.8 | 147.8 | 160.6 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 168 | G | 30.7 | Very low | 29.5 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 74.8 | 78.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 169 | I | 25.7 | Very low | 29.4 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 92% | 0.918 | 79% | 0.789 | S | S | * | * | trans | -99.1 | 115.2 | 145.2 | -62.4 | 172.9 | 0 | 0 | 0 | 106 | ||||
| 170 | K | 28.9 | Very low | 29 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 74% | 0.735 | 78% | 0.782 | S | S | * | * | trans | -161 | 140 | 167.1 | -167.7 | 152.6 | 179.4 | 165.3 | 0 | 111.2 | ||||
| 171 | D | 33.2 | Very low | 28.6 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | 32 | 137 | 162.5 | -49 | -5.3 | 0 | 0 | 0 | 118.5 | ||||
| 172 | E | 27.3 | Very low | 28.8 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | cis | 140.5 | 145.7 | 1.2 | -104.1 | -154.2 | 154.9 | 0 | 0 | 106.6 | ||||
| 173 | L | 25.5 | Very low | 28.7 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | trans | 67.8 | 130.3 | 155.4 | -70.7 | 163.8 | 0 | 0 | 0 | 123 | ||||
| 174 | D | 27.8 | Very low | 28.4 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 105.5 | 150.9 | 129.3 | -81.2 | -24.5 | 0 | 0 | 0 | 124.7 | |||||
| 175 | S | 30.2 | Very low | 28.1 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 78.4 | 106.1 | 172.5 | 70.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 176 | S | 22.7 | Very low | 27.7 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -106.8 | 139.7 | 162.3 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 177 | N | 30.2 | Very low | 27.7 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -159.6 | 135.7 | 160 | -90.8 | -35.1 | 0 | 0 | 0 | 106.9 | ||||
| 178 | A | 25.4 | Very low | 27.5 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | 65 | 130.2 | 70.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 179 | E | 27.3 | Very low | 27.4 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -164.9 | 165.6 | 2.8 | -124.1 | -170.9 | 141.5 | 0 | 0 | 111.9 | ||||
| 180 | V | 26.6 | Very low | 27.4 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 62.2 | 145.1 | 144.1 | 171.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 181 | A | 25.5 | Very low | 27.3 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -122.3 | -157.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 182 | P | 34.6 | Very low | 26.9 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | cis | -127.5 | -167.9 | -21.9 | 43.2 | -27.5 | 0 | 0 | 0 | 111.7 | ||||
| 183 | S | 27 | Very low | 27.2 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -175 | 163.3 | 140.8 | 36.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 184 | I | 23.8 | Very low | 27.2 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -149.9 | 143 | -168.3 | 44.6 | 168.6 | 0 | 0 | 0 | 112.2 | ||||
| 185 | S | 25.4 | Very low | 27 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -167.2 | 113.7 | 174.5 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 186 | S | 25.6 | Very low | 27 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | 62.7 | 139.7 | 95.1 | 72.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 187 | S | 26.8 | Very low | 27.2 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -178.6 | 163.9 | -1.3 | 43 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 188 | A | 28 | Very low | 27 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 69.7 | 163.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 189 | D | 28.1 | Very low | 27 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | cis | -149.4 | -178 | -4.3 | -140.1 | -33.7 | 0 | 0 | 0 | 113.4 | ||||
| 190 | A | 24.5 | Very low | 27.4 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 57% | 0.57 | 78% | 0.777 | S | S | * | * | trans | -71.8 | 167.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 191 | F | 28.5 | Very low | 27.2 | Very low | 219 Ų | 219 | 126.5 Ų | 126.5 | 96% | 0.961 | 77% | 0.774 | S | S | * | * | -160.1 | 170.5 | 125.1 | -103.2 | -65 | 0 | 0 | 0 | 112.5 | |||||
| 192 | K | 24.6 | Very low | 27.2 | Very low | 187 Ų | 187 | 128.1 Ų | 128.1 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -161.4 | 123.3 | -148.7 | 178.3 | -171.3 | -176.6 | -178.4 | 0 | 115.9 | ||||
| 193 | T | 32.5 | Very low | 26.9 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -153.4 | 139.7 | 163.8 | 41.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 194 | T | 26.1 | Very low | 26.8 | Very low | 110 Ų | 110 | 130 Ų | 130 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | cis | 75.3 | 132.4 | 39.1 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 195 | L | 23.9 | Very low | 26.9 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | cis | -164.8 | -176.8 | 6.6 | -126.1 | 170.3 | 0 | 0 | 0 | 111.9 | ||||
| 196 | S | 30.6 | Very low | 27 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 80.4 | 162.5 | 166.2 | 81.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 197 | K | 25.4 | Very low | 27.1 | Very low | 203 Ų | 203 | 131 Ų | 131 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | -177.9 | 124 | -59.8 | -109.3 | -175.7 | 175.8 | -175.6 | 0 | 108.6 | |||||
| 198 | G | 26.4 | Very low | 27 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -175.5 | 126 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 199 | V | 26.2 | Very low | 26.9 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -165.8 | 150.8 | -164.1 | 169.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 200 | P | 35.2 | Very low | 27 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | cis | -133.1 | -175.2 | -4.2 | 37.1 | -18.2 | 0 | 0 | 0 | 116.5 | ||||
| 201 | S | 23.4 | Very low | 27.1 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 85.7 | 144 | 135.9 | 70.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 202 | S | 25.3 | Very low | 27.1 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 66.4 | 143 | 174.4 | 73.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 203 | S | 28.6 | Very low | 27.3 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -149.7 | 162.4 | -5.4 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 204 | Q | 24.5 | Very low | 27 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 36.7 | 131.4 | 148.5 | -88.3 | 168.7 | -37.2 | 0 | 0 | 123.6 | ||||
| 205 | S | 25.5 | Very low | 27 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | trans | 22.7 | 134.5 | 136.9 | 53.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 206 | D | 27.3 | Very low | 27.1 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | cis | -147 | 146.6 | 10.8 | -90.1 | -43.2 | 0 | 0 | 0 | 111.4 | ||||
| 207 | N | 28.5 | Very low | 26.9 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -148.6 | 94 | 173.4 | -150.1 | -19.7 | 0 | 0 | 0 | 112.3 | ||||
| 208 | R | 24.8 | Very low | 27.1 | Very low | 259 Ų | 259 | 145.7 Ų | 145.7 | 98% | 0.977 | 79% | 0.793 | S | S | * | * | trans | -105.8 | 57.6 | -171.5 | -161.5 | 174.7 | -174.6 | 174.6 | 2.2 | 111.7 | ||||
| 209 | G | 26.1 | Very low | 27.2 | Very low | 57 Ų | 57 | 149 Ų | 149 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | trans | -123.2 | -4 | -157.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 210 | N | 28.9 | Very low | 27 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -166.3 | 117.4 | 170.1 | -121.6 | -39 | 0 | 0 | 0 | 114.2 | ||||
| 211 | V | 27.9 | Very low | 26.7 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -141.1 | 73.5 | 170.6 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 212 | K | 27.8 | Very low | 26.9 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -148.2 | 67.2 | 169 | -81 | -163.3 | 175.6 | -177.5 | 0 | 112 | ||||
| 213 | K | 28.8 | Very low | 26.9 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -179.9 | 71.4 | 159.7 | -106.9 | 173.2 | -179.5 | -174.1 | 0 | 111.7 | ||
| 214 | Y | 25.5 | Very low | 26.8 | Very low | 233 Ų | 233 | 154.1 Ų | 154.1 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -152.2 | 165.4 | 160.2 | -88.7 | -66.7 | 0 | 0 | 0 | 108.6 | ||||
| 215 | L | 26.9 | Very low | 27.1 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 69.3 | 52.6 | -169.4 | -54.1 | 177.4 | 0 | 0 | 0 | 114.7 | ||||
| 216 | N | 24.8 | Very low | 27.2 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | -89.4 | 172.9 | 119.4 | -150.5 | 68.4 | 0 | 0 | 0 | 107.6 | |||||
| 217 | D | 27.7 | Very low | 27.3 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | 68.1 | 61 | 171.4 | -47.9 | -21.3 | 0 | 0 | 0 | 115.9 | ||||
| 218 | Q | 29.8 | Very low | 27.5 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -137.7 | 152.6 | 149.2 | -93.7 | -61.6 | -6.3 | 0 | 0 | 110.7 | ||||
| 219 | L | 28.2 | Very low | 27.7 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | 64.1 | 62.8 | 175.6 | -55.6 | -178.8 | 0 | 0 | 0 | 117.4 | L221 | L219-L221 PolarHBondContact O-N 3.24Š| ||
| 220 | S | 22.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -74.8 | 97.6 | 142.8 | 56 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 221 | L | 29 | Very low | 28 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -147.8 | 136.1 | 169.2 | -144.7 | 71.3 | 0 | 0 | 0 | 115.1 | L219 | L219-L221 PolarHBondContact O-N 3.24Š| ||
| 222 | S | 26.2 | Very low | 28.1 | Very low | 84 Ų | 84 | 151.2 Ų | 151.2 | 59% | 0.587 | 80% | 0.798 | S | S | * | * | trans | -18.8 | 131.1 | 174.4 | 57.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 223 | Q | 25.2 | Very low | 28.3 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | 71.4 | 152.6 | 124.9 | -63.6 | -178.1 | 9.7 | 0 | 0 | 122.3 | |||||
| 224 | S | 28 | Very low | 28.3 | Very low | 131 Ų | 131 | 150 Ų | 150 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | 71.7 | 144.2 | 175.7 | 78.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 225 | G | 29.1 | Very low | 28.6 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 108.3 | 51 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G227 | G225-G227 PolarHBondContact O-N 2.94Å; G225-G227 VanDerWaalsContact O-N 3.16Å | ||
| 226 | S | 29.1 | Very low | 28.6 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -67.4 | 110.9 | 170.7 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 227 | G | 29.7 | Very low | 28.9 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -140.9 | 61.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | G225 M229 | G225-G227 PolarHBondContact O-N 2.94Å; G225-G227 VanDerWaalsContact O-N 3.16Å; G227-M229 PolarHBondContact O-N 2.82Å | ||
| 228 | D | 30.7 | Very low | 29.1 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -66.1 | 98.8 | -178.7 | -178.2 | 33.9 | 0 | 0 | 0 | 112 | G230 | D228-G230 PolarHBondContact O-N 2.76Å; D228-G230 VanDerWaalsContact O-N 3.08Å; D228-G230 VanDerWaalsContact OD1-CA 3.22Å; D228-G230 WeakPolarHBondContact OD1-CA 3.25Å; D228-G230 PolarHBondContact OD1-N 2.92Å | ||
| 229 | M | 30 | Very low | 29 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -80.9 | 46.9 | 161.7 | -67.9 | -142.6 | -64.6 | 0 | 0 | 111.3 | G227 | G227-M229 PolarHBondContact O-N 2.82Š| ||
| 230 | G | 31 | Very low | 29.1 | Very low | 32 Ų | 32 | 137 Ų | 137 | 33% | 0.33 | 79% | 0.789 | S | S | . | * | trans | -58.9 | 137.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D228 R232 | D228-G230 PolarHBondContact O-N 2.76Å; D228-G230 VanDerWaalsContact O-N 3.08Å; D228-G230 VanDerWaalsContact OD1-CA 3.22Å; D228-G230 WeakPolarHBondContact OD1-CA 3.25Å; D228-G230 PolarHBondContact OD1-N 2.92Å; G230-R232 PolarHBondContact O-N 3.14Å | ||
| 231 | R | 29.6 | Very low | 29.3 | Very low | 249 Ų | 249 | 140.3 Ų | 140.3 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -50.9 | 101.7 | -176.7 | -64.3 | 176.6 | 175.9 | -156 | -0.5 | 111.5 | K233 | R231-K233 PolarHBondContact O-N 2.94Š| ||
| 232 | R | 31.3 | Very low | 29.3 | Very low | 248 Ų | 248 | 140.2 Ų | 140.2 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 105 | 174.5 | -67.6 | -173.9 | -177 | 174 | 2.3 | 109.4 | G230 | G230-R232 PolarHBondContact O-N 3.14Š| ||
| 233 | K | 30.5 | Very low | 29.3 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 146.7 | 166.8 | -65.7 | 178.9 | -180 | 177.6 | 0 | 108.9 | R231 | R231-K233 PolarHBondContact O-N 2.94Š|
| 234 | L | 30.4 | Very low | 29.1 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.9 | 172.7 | -72.9 | 166.1 | 0 | 0 | 0 | 109.9 | S236 | L234-S236 PolarHBondContact O-N 3.39Š|
| 235 | P | 31.8 | Very low | 29 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 116.1 | -172.6 | 28 | -34.2 | 0 | 0 | 0 | 111.6 | V237 | P235-V237 PolarHBondContact O-N 3.2Š|
| 236 | S | 27 | Very low | 28.8 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 100.3 | 162.9 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | L234 | L234-S236 PolarHBondContact O-N 3.39Š| ||
| 237 | V | 30.2 | Very low | 28.7 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -67.8 | 127 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | P235 | P235-V237 PolarHBondContact O-N 3.2Š| ||
| 238 | P | 32.2 | Very low | 28.7 | Very low | 96 Ų | 96 | 152.7 Ų | 152.7 | 62% | 0.623 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 152.8 | -173 | 30.9 | -35.9 | 0 | 0 | 0 | 112.9 | T240 | P238-T240 PolarHBondContact O-N 3.24Š| ||
| 239 | P | 28.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 104.4 | 176.9 | 31.5 | -33.4 | 0 | 0 | 0 | 111.3 | F241 | P239-F241 PolarHBondContact O-N 2.86Å; P239-F241 VanDerWaalsContact O-N 3.09Å | ||
| 240 | T | 29.8 | Very low | 28.6 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -77.1 | 89.8 | 167.8 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | P238 | P238-T240 PolarHBondContact O-N 3.24Š| ||
| 241 | F | 26.3 | Very low | 28.5 | Very low | 192 Ų | 192 | 156.5 Ų | 156.5 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -63.6 | 129.5 | 151.9 | -81.5 | -102.6 | 0 | 0 | 0 | 108.1 | P239 | P239-F241 PolarHBondContact O-N 2.86Å; P239-F241 VanDerWaalsContact O-N 3.09Å | ||
| 242 | D | 29.3 | Very low | 28.7 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | -162.9 | 155.3 | 115.8 | -133.7 | -28.2 | 0 | 0 | 0 | 114.8 | |||||
| 243 | R | 25.7 | Very low | 28.3 | Very low | 211 Ų | 211 | 147.1 Ų | 147.1 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 57.7 | 92.2 | 150.8 | -152.1 | 169.2 | -165.9 | 137.1 | 0.8 | 120.8 | ||||
| 244 | C | 20.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 148.7 | 158.7 | -48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 245 | Q | 27.9 | Very low | 28 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -164.8 | 147.7 | 145.1 | -113.9 | 167 | 9.7 | 0 | 0 | 112.2 | ||||
| 246 | F | 24.6 | Very low | 27.5 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | trans | 58.7 | 99.5 | -177.8 | -74.8 | -92.7 | 0 | 0 | 0 | 116.3 | ||||
| 247 | V | 27.4 | Very low | 27.5 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | 78.3 | 131.1 | 73.1 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 248 | P | 29.6 | Very low | 27.1 | Very low | 124 Ų | 124 | 155.6 Ų | 155.6 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -110.3 | 170.1 | -137 | 41 | -35.6 | 0 | 0 | 0 | 116.2 | ||||
| 249 | A | 29.5 | Very low | 26.9 | Very low | 98 Ų | 98 | 158.2 Ų | 158.2 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -135.1 | 122.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 250 | D | 29.3 | Very low | 27 | Very low | 168 Ų | 168 | 162.3 Ų | 162.3 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | 7 | 124 | 173.5 | -56.2 | -23.6 | 0 | 0 | 0 | 122.8 | ||||
| 251 | Q | 27.9 | Very low | 27.1 | Very low | 182 Ų | 182 | 164.7 Ų | 164.7 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -81.6 | 174.3 | 155.1 | -67.4 | -177.4 | -1.7 | 0 | 0 | 111.1 | ||||
| 252 | P | 32.9 | Very low | 27.2 | Very low | 101 Ų | 101 | 163.6 Ų | 163.6 | 66% | 0.656 | 83% | 0.826 | S | S | * | * | cis | -130.6 | 167.2 | -39.6 | 34.1 | -19.1 | 0 | 0 | 0 | 112.4 | ||||
| 253 | Q | 24.1 | Very low | 27.1 | Very low | 198 Ų | 198 | 163.2 Ų | 163.2 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -80 | 124.4 | 162.3 | -69.2 | -177.3 | -17.1 | 0 | 0 | 111 | ||||
| 254 | T | 30 | Very low | 27.4 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -134 | 115.5 | 166.1 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 255 | S | 23.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 158.9 Ų | 158.9 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | 40.1 | 87 | 151.3 | 60.2 | 0 | 0 | 0 | 0 | 118.6 | Q257 | S255-Q257 PolarHBondContact O-N 2.99Å; S255-Q257 VanDerWaalsContact O-N 3.1Å | ||
| 256 | W | 21.7 | Very low | 28 | Very low | 261 Ų | 261 | 157.4 Ų | 157.4 | 99% | 0.989 | 82% | 0.823 | S | S | * | * | trans | -3.1 | 95.2 | 142.3 | -58.3 | 90.7 | 0 | 0 | 0 | 116.6 | ||||
| 257 | Q | 26.5 | Very low | 28.2 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -101.7 | 126.1 | 159.1 | -79.2 | -165 | -27 | 0 | 0 | 110.5 | S255 N259 | S255-Q257 PolarHBondContact O-N 2.99Å; S255-Q257 VanDerWaalsContact O-N 3.1Å; Q257-N259 PolarHBondContact O-N 3.46Å | ||
| 258 | Y | 22.9 | Very low | 28.3 | Very low | 235 Ų | 235 | 152.1 Ų | 152.1 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | trans | -67.1 | 115.5 | 168.1 | -100.5 | -115.6 | 0 | 0 | 0 | 109.7 | ||||
| 259 | N | 28.8 | Very low | 28.2 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -154.1 | 130.6 | 150.1 | -131.3 | -26.8 | 0 | 0 | 0 | 112.1 | Q257 Q261 | Q257-N259 PolarHBondContact O-N 3.46Å; N259-Q261 PolarHBondContact O-N 3.06Å | ||
| 260 | K | 28.7 | Very low | 28.1 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -79.6 | 98.6 | 175.9 | -76.7 | -176.8 | 175 | -179.5 | 0 | 108.8 | L262 | K260-L262 PolarHBondContact O-N 3.45Š| ||
| 261 | Q | 32 | Very low | 28 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -69.6 | 114.7 | 171.1 | -70.8 | -176.1 | -11.1 | 0 | 0 | 109.8 | N259 | N259-Q261 PolarHBondContact O-N 3.06Š| ||
| 262 | L | 29.4 | Very low | 27.9 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -82.3 | 124.5 | 173.2 | -136.2 | 163.6 | 0 | 0 | 0 | 107.8 | K260 A264 | K260-L262 PolarHBondContact O-N 3.45Å; L262-A264 PolarHBondContact O-N 3.49Å | ||
| 263 | I | 27.3 | Very low | 27.8 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | -74 | 120.8 | -173.6 | -61.7 | 170.4 | 0 | 0 | 0 | 109.8 | L265 | I263-L265 HydrophobicContact CG2-CD1 4.1Š| ||
| 264 | A | 31.6 | Very low | 28 | Very low | 92 Ų | 92 | 145.2 Ų | 145.2 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -128.1 | 134.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | L262 | L262-A264 PolarHBondContact O-N 3.49Š| ||
| 265 | L | 31.2 | Very low | 28.1 | Very low | 151 Ų | 151 | 151 Ų | 151 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -75.9 | 161.1 | -171.2 | -103.3 | 67.7 | 0 | 0 | 0 | 113.3 | I263 | I263-L265 HydrophobicContact CG2-CD1 4.1Š| ||
| 266 | P | 28.5 | Very low | 28.3 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -75.8 | 132.8 | -164.7 | 29.4 | -35.3 | 0 | 0 | 0 | 114.1 | ||||
| 267 | G | 30.5 | Very low | 28.8 | Very low | 72 Ų | 72 | 153.6 Ų | 153.6 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | -128.4 | 83.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S269 | G267-S269 PolarHBondContact O-N 3.33Š| ||
| 268 | T | 28.5 | Very low | 28.9 | Very low | 131 Ų | 131 | 148 Ų | 148 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -0.6 | 99.5 | 163.8 | 56 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 269 | S | 26.6 | Very low | 29.3 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | 67 | 147.2 | 125.5 | 78.3 | 0 | 0 | 0 | 0 | 123.5 | G267 | G267-S269 PolarHBondContact O-N 3.33Š| |||
| 270 | K | 28.5 | Very low | 29.5 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | 84.5 | 132.6 | 158.4 | -56.2 | 174.7 | -174.9 | 177.6 | 0 | 118.7 | ||||
| 271 | G | 27.6 | Very low | 29.8 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 71.2 | 104.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 272 | S | 25.5 | Very low | 29.8 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | cis | 56.8 | 80.6 | 27.7 | -157 | 0 | 0 | 0 | 0 | 114 | ||||
| 273 | S | 29.8 | Very low | 30 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -145.9 | 115.4 | 153.9 | -169.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 274 | S | 29.1 | Very low | 30.2 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 124.5 | -177.7 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 275 | R | 31.6 | Very low | 30.3 | Very low | 236 Ų | 236 | 144 Ų | 144 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -107.2 | 107.4 | 161 | -94.2 | -174.3 | 171.1 | 176.9 | -2.2 | 109.1 | Y277 | R275-Y277 PolarHBondContact O-N 3.24Š| ||
| 276 | K | 29.1 | Very low | 30.5 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -60 | 131.8 | 168.2 | -66.6 | -178.9 | 175.1 | -175.7 | 0 | 109.5 | ||||
| 277 | Y | 31 | Very low | 30.9 | Very low | 223 Ų | 223 | 144.7 Ų | 144.7 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -122.1 | 163.6 | 152 | -111 | -94.2 | 0 | 0 | 0 | 108.7 | R275 | R275-Y277 PolarHBondContact O-N 3.24Š| ||
| 278 | G | 29.4 | Very low | 31.3 | Very low | 70 Ų | 70 | 149.3 Ų | 149.3 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -55.4 | 135.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115 | L280 | G278-L280 PolarHBondContact O-N 3.19Š| ||
| 279 | E | 29.9 | Very low | 31.9 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -66.3 | 96.8 | 170.5 | -174.4 | 174 | 167.4 | 0 | 0 | 109.5 | V281 | E279-V281 PolarHBondContact O-N 3.39Š| ||
| 280 | L | 32.7 | Very low | 32.9 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -69.9 | 100.6 | 170.2 | -108.8 | 168.7 | 0 | 0 | 0 | 107.9 | G278 D282 | G278-L280 PolarHBondContact O-N 3.19Å; L280-D282 PolarHBondContact O-N 2.77Å | ||
| 281 | V | 36.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 147 Ų | 147 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | -57.1 | 103.2 | -177.6 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | E279 R283 | E279-V281 PolarHBondContact O-N 3.39Å; V281-R283 HydrophobicContact CG1-CB 4.25Å; V281-R283 PolarHBondContact O-N 3.4Å | ||
| 282 | D | 31.3 | Very low | 34.5 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -69.2 | 85.2 | 168.9 | -174.4 | 8.9 | 0 | 0 | 0 | 108.2 | L280 S284 | L280-D282 PolarHBondContact O-N 2.77Å; D282-S284 PolarHBondContact O-N 3.19Å | ||
| 283 | R | 34.1 | Very low | 35.8 | Very low | 216 Ų | 216 | 150 Ų | 150 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 75.3 | -171.3 | -164.2 | -177.5 | -168 | -169.3 | 4.6 | 109.5 | V281 Q285 | V281-R283 HydrophobicContact CG1-CB 4.25Å; V281-R283 PolarHBondContact O-N 3.4Å; R283-Q285 PolarHBondContact O-N 3.32Å | ||
| 284 | S | 32.1 | Very low | 37.5 | Very low | 98 Ų | 98 | 154.1 Ų | 154.1 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -7.7 | 91.7 | 178.5 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | D282 P286 | D282-S284 PolarHBondContact O-N 3.19Å; S284-P286 WeakPolarHBondContact O-CD 3.46Å | ||
| 285 | Q | 32.6 | Very low | 39.8 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -52.5 | 118.2 | 162.1 | -77.4 | -70.6 | -36.2 | 0 | 0 | 106.5 | R283 K287 | R283-Q285 PolarHBondContact O-N 3.32Å; Q285-K287 PolarHBondContact O-N 2.79Å; Q285-K287 VanDerWaalsContact O-N 3.1Å | ||
| 286 | P | 36.1 | Very low | 42.2 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -60.8 | 125.1 | -175.4 | 24.4 | -32.6 | 0 | 0 | 0 | 107.1 | S284 L288 | S284-P286 WeakPolarHBondContact O-CD 3.46Å; P286-L288 VanDerWaalsContact C-N 3.28Å; P286-L288 PolarHBondContact O-N 2.78Å | ||
| 287 | K | 36.5 | Very low | 45.2 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -57.8 | 100.1 | 170.6 | -70.7 | 176.7 | -178.8 | 172.9 | 0 | 106.4 | Q285 N289 | Q285-K287 PolarHBondContact O-N 2.79Å; Q285-K287 VanDerWaalsContact O-N 3.1Å; K287-N289 PolarHBondContact O-N 3.02Å | ||
| 288 | L | 38.4 | Very low | 47.8 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | trans | -58.9 | 102.4 | 163 | -81 | 168.6 | 0 | 0 | 0 | 104.2 | P286 | P286-L288 VanDerWaalsContact C-N 3.28Å; P286-L288 PolarHBondContact O-N 2.78Å | ||
| 289 | N | 42 | Very low | 50.8 | Low | 126 Ų | 126 | 135.9 Ų | 135.9 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | trans | -51.3 | 157.2 | -175.8 | -81.9 | -36.6 | 0 | 0 | 0 | 109.1 | K287 M291 | K287-N289 PolarHBondContact O-N 3.02Å; N289-M291 PolarHBondContact O-N 3.33Å | ||
| 290 | S | 46.8 | Very low | 53.8 | Low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -61.8 | 79.1 | 166.5 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | G292 | S290-G292 PolarHBondContact O-N 3.47Š| ||
| 291 | M | 43.7 | Very low | 56.5 | Low | 133 Ų | 133 | 125.6 Ų | 125.6 | 66% | 0.655 | 68% | 0.682 | S | S | * | * | trans | -65.6 | 78.6 | 166.7 | -72.8 | -69.6 | -81 | 0 | 0 | 105.3 | N289 K293 | N289-M291 PolarHBondContact O-N 3.33Å; M291-K293 PolarHBondContact O-N 2.94Å; M291-K293 VanDerWaalsContact O-N 3.08Å | ||
| 292 | G | 46.2 | Very low | 59.3 | Low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | trans | -48 | 118.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S290 R294 | S290-G292 PolarHBondContact O-N 3.47Å; G292-R294 WeakPolarHBondContact O-CA 3.42Å; G292-R294 PolarHBondContact O-N 3.5Å | ||
| 293 | K | 54.2 | Low | 62.3 | Low | 207 Ų | 207 | 124.5 Ų | 124.5 | 90% | 0.9 | 66% | 0.664 | S | S | * | * | trans | -36.4 | 98.2 | -165.5 | -66 | 178.4 | -179.7 | 178.9 | 0 | 109.5 | M291 A295 | M291-K293 PolarHBondContact O-N 2.94Å; M291-K293 VanDerWaalsContact O-N 3.08Å; K293-A295 VanDerWaalsContact C-N 3.35Å; K293-A295 PolarHBondContact O-N 3.11Å | ||
| 294 | R | 64 | Low | 65.2 | Low | 206 Ų | 206 | 117.6 Ų | 117.6 | 78% | 0.777 | 64% | 0.643 | S | S | * | * | trans | -66.3 | 98.8 | -168.1 | -76 | -173.7 | 178.8 | 174.3 | -0.1 | 107.6 | G292 L296 | G292-R294 WeakPolarHBondContact O-CA 3.42Å; G292-R294 PolarHBondContact O-N 3.5Å; R294-L296 PolarHBondContact O-N 2.73Å; R294-L296 VanDerWaalsContact O-N 3.07Å | ||
| 295 | A | 77.3 | Confident | 68.3 | Low | 92 Ų | 92 | 118 Ų | 118 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | trans | -53.8 | 119.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | K293 | K293-A295 VanDerWaalsContact C-N 3.35Å; K293-A295 PolarHBondContact O-N 3.11Å | ||
| 296 | L | 82.6 | Confident | 71.3 | Confident | 102 Ų | 102 | 117.5 Ų | 117.5 | 53% | 0.534 | 63% | 0.632 | S | S | . | * | trans | -54.2 | 127.8 | -177.1 | -73.2 | 165.8 | 0 | 0 | 0 | 108.1 | R294 A301 L304 | R294-L296 PolarHBondContact O-N 2.73Å; R294-L296 VanDerWaalsContact O-N 3.07Å; L296-A301 HydrophobicContact CB-CB 4.23Å; L296-L304 HydrophobicContact CD1-CD1 3.86Å | ||
| 297 | P | 91.3 | Very high | 74.2 | Confident | 75 Ų | 75 | 117.5 Ų | 117.5 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | trans | -45.4 | 131.6 | 178.5 | -31.5 | 34.7 | 0 | 0 | 0 | 110 | T299 L300 A301 | P297-T299 CarbonylContact O-C 3.46Å; P297-T299 PolarHBondContact O-N 3.12Å; P297-L300 HydrophobicContact CG-CD1 4.29Å; P297-L300 WeakPolarHBondContact O-CA 3.23Å; P297-L300 PolarHBondContact O-N 3.21Å; P297-A301 PolarHBondContact O-N 2.88Å; P297-A301 VanDerWaalsContact O-N 3.1Å | ||
| 298 | P | 87.1 | Confident | 77 | Confident | 91 Ų | 91 | 114.3 Ų | 114.3 | 59% | 0.591 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -54.1 | -24.8 | -167.4 | -32.2 | 36.2 | 0 | 0 | 0 | 114.9 | R302 | P298-R302 WeakPolarHBondContact O-CB 3.2Å; P298-R302 VanDerWaalsContact O-CG 3.25Å; P298-R302 WeakPolarHBondContact O-CG 3.13Å; P298-R302 PolarHBondContact O-N 2.93Å; P298-R302 VanDerWaalsContact O-N 3.12Å; P298-R302 PolarHBondContact O-NE 2.97Å |
| 299 | T | 91.9 | Very high | 79.8 | Confident | 90 Ų | 90 | 111 Ų | 111 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.1 | -44 | 171.5 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | P297 R302 V303 | P297-T299 CarbonylContact O-C 3.46Å; P297-T299 PolarHBondContact O-N 3.12Å; T299-R302 PolarHBondContact O-N 3.37Å; T299-R302 PolarHBondContact OG1-NH2 3.22Å; T299-R302 VanDerWaalsContact OG1-NH2 3.13Å; T299-V303 WeakPolarHBondContact O-CG2 3.42Å; T299-V303 PolarHBondContact O-N 3.15Å; T299-V303 VanDerWaalsContact O-N 3.08Å |
| 300 | L | 92.6 | Very high | 82.4 | Confident | 95 Ų | 95 | 112.2 Ų | 112.2 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.5 | -42.1 | 174.6 | -67 | -178.5 | 0 | 0 | 0 | 111.7 | P297 R302 V303 L304 | P297-L300 HydrophobicContact CG-CD1 4.29Å; P297-L300 WeakPolarHBondContact O-CA 3.23Å; P297-L300 PolarHBondContact O-N 3.21Å; L300-R302 VanDerWaalsContact C-N 3.29Å; L300-R302 PolarHBondContact O-N 3.36Å; L300-V303 PolarHBondContact O-N 3.35Å; L300-L304 PolarHBondContact O-N 3.44Å |
| 301 | A | 90.6 | Very high | 84.8 | Confident | 40 Ų | 40 | 110.3 Ų | 110.3 | 33% | 0.331 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.1 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L296 P297 L305 | L296-A301 HydrophobicContact CB-CB 4.23Å; P297-A301 PolarHBondContact O-N 2.88Å; P297-A301 VanDerWaalsContact O-N 3.1Å; A301-L305 WeakPolarHBondContact O-CB 3.46Å; A301-L305 PolarHBondContact O-N 3.36Å |
| 302 | R | 93 | Very high | 87.3 | Confident | 151 Ų | 151 | 108.5 Ų | 108.5 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.6 | -29.3 | 174.6 | -75.8 | 175.9 | -65 | -144.8 | 2.9 | 114.1 | P298 T299 L300 K306 | P298-R302 WeakPolarHBondContact O-CB 3.2Å; P298-R302 VanDerWaalsContact O-CG 3.25Å; P298-R302 WeakPolarHBondContact O-CG 3.13Å; P298-R302 PolarHBondContact O-N 2.93Å; P298-R302 VanDerWaalsContact O-N 3.12Å; P298-R302 PolarHBondContact O-NE 2.97Å; T299-R302 PolarHBondContact O-N 3.37Å; T299-R302 PolarHBondContact OG1-NH2 3.22Å; T299-R302 VanDerWaalsContact OG1-NH2 3.13Å; L300-R302 VanDerWaalsContact C-N 3.29Å; L300-R302 PolarHBondContact O-N 3.36Å; R302-K306 WeakPolarHBondContact O-CB 3.31Å; R302-K306 VanDerWaalsContact O-CG 3.3Å; R302-K306 WeakPolarHBondContact O-CG 3.42Å; R302-K306 PolarHBondContact O-N 3.07Å |
| 303 | V | 96.2 | Very high | 89.6 | Confident | 86 Ų | 86 | 110.6 Ų | 110.6 | 52% | 0.521 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.6 | -47 | 175.8 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | T299 L300 K306 Q307 | T299-V303 WeakPolarHBondContact O-CG2 3.42Å; T299-V303 PolarHBondContact O-N 3.15Å; T299-V303 VanDerWaalsContact O-N 3.08Å; L300-V303 PolarHBondContact O-N 3.35Å; V303-K306 PolarHBondContact O-N 3.22Å; V303-Q307 PolarHBondContact O-N 2.89Å |
| 304 | L | 95.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 105 Ų | 105 | 38% | 0.377 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 177.7 | -68.7 | 165.6 | 0 | 0 | 0 | 111.4 | L296 L300 K306 Q307 E308 | L296-L304 HydrophobicContact CD1-CD1 3.86Å; L300-L304 PolarHBondContact O-N 3.44Å; L304-K306 VanDerWaalsContact C-N 3.27Å; L304-K306 PolarHBondContact O-N 2.68Å; L304-Q307 WeakPolarHBondContact O-CA 3.26Å; L304-Q307 WeakPolarHBondContact O-CB 3.49Å; L304-Q307 PolarHBondContact O-N 2.76Å; L304-E308 WeakPolarHBondContact O-CG 3.14Å; L304-E308 PolarHBondContact O-N 2.96Å |
| 305 | L | 95.9 | Very high | 93.2 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | 175.5 | -171.7 | 157.5 | 0 | 0 | 0 | 112.1 | A301 L309 | A301-L305 WeakPolarHBondContact O-CB 3.46Å; A301-L305 PolarHBondContact O-N 3.36Å; L305-L309 VanDerWaalsContact O-CB 3.28Å; L305-L309 WeakPolarHBondContact O-CB 3.29Å; L305-L309 PolarHBondContact O-N 3.07Å |
| 306 | K | 95.8 | Very high | 94.1 | Very high | 157 Ų | 157 | 103.3 Ų | 103.3 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -33.5 | 174 | -81.4 | -176 | 175 | -167.7 | 0 | 113.2 | R302 V303 L304 K310 | R302-K306 WeakPolarHBondContact O-CB 3.31Å; R302-K306 VanDerWaalsContact O-CG 3.3Å; R302-K306 WeakPolarHBondContact O-CG 3.42Å; R302-K306 PolarHBondContact O-N 3.07Å; V303-K306 PolarHBondContact O-N 3.22Å; L304-K306 VanDerWaalsContact C-N 3.27Å; L304-K306 PolarHBondContact O-N 2.68Å; K306-K310 WeakPolarHBondContact O-CB 3.18Å; K306-K310 PolarHBondContact O-N 3.15Å; K306-K310 VanDerWaalsContact O-N 3.09Å |
| 307 | Q | 96.7 | Very high | 94.7 | Very high | 104 Ų | 104 | 101.1 Ų | 101.1 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.1 | -51.7 | 172.8 | 179.4 | -176.7 | -26.5 | 0 | 0 | 110.7 | V303 L304 L309 K310 E311 | V303-Q307 PolarHBondContact O-N 2.89Å; L304-Q307 WeakPolarHBondContact O-CA 3.26Å; L304-Q307 WeakPolarHBondContact O-CB 3.49Å; L304-Q307 PolarHBondContact O-N 2.76Å; Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 3.1Å; Q307-K310 WeakPolarHBondContact O-CA 3.01Å; Q307-K310 WeakPolarHBondContact O-CB 3.33Å; Q307-K310 PolarHBondContact O-N 3.25Å; Q307-E311 WeakPolarHBondContact CG-OE1 3.49Å; Q307-E311 PolarHBondContact NE2-OE1 3.02Å; Q307-E311 PolarHBondContact O-N 2.73Å |
| 308 | E | 96 | Very high | 95 | Very high | 122 Ų | 122 | 102.6 Ų | 102.6 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -54.1 | -46.6 | 177.1 | -69.6 | 168.2 | 179.4 | 0 | 0 | 111.2 | L304 K310 E311 V312 | L304-E308 WeakPolarHBondContact O-CG 3.14Å; L304-E308 PolarHBondContact O-N 2.96Å; E308-K310 PolarHBondContact O-N 3.08Å; E308-E311 PolarHBondContact O-N 2.85Å; E308-V312 WeakPolarHBondContact O-CB 3.39Å; E308-V312 VanDerWaalsContact O-CG2 3.3Å; E308-V312 WeakPolarHBondContact O-CG2 3.13Å; E308-V312 PolarHBondContact O-N 3.17Å |
| 309 | L | 96 | Very high | 95.4 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.7 | -165.1 | 91.6 | 0 | 0 | 0 | 112 | L305 Q307 V312 L313 | L305-L309 VanDerWaalsContact O-CB 3.28Å; L305-L309 WeakPolarHBondContact O-CB 3.29Å; L305-L309 PolarHBondContact O-N 3.07Å; Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 3.1Å; L309-V312 PolarHBondContact O-N 3.26Å; L309-L313 HydrophobicContact CD2-CD1 4.12Å; L309-L313 HydrophobicContact CG-CD1 4.11Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 VanDerWaalsContact O-CG 3.23Å; L309-L313 WeakPolarHBondContact O-CG 2.94Å; L309-L313 PolarHBondContact O-N 3.45Å |
| 310 | K | 97.1 | Very high | 95.5 | Very high | 153 Ų | 153 | 107 Ų | 107 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 177 | -174.9 | -172.8 | 176.5 | -169.5 | 0 | 111.2 | K306 Q307 E308 L313 L314 | K306-K310 WeakPolarHBondContact O-CB 3.18Å; K306-K310 PolarHBondContact O-N 3.15Å; K306-K310 VanDerWaalsContact O-N 3.09Å; Q307-K310 WeakPolarHBondContact O-CA 3.01Å; Q307-K310 WeakPolarHBondContact O-CB 3.33Å; Q307-K310 PolarHBondContact O-N 3.25Å; E308-K310 PolarHBondContact O-N 3.08Å; K310-L313 PolarHBondContact O-N 2.58Å; K310-L314 VanDerWaalsContact O-CB 3.3Å; K310-L314 WeakPolarHBondContact O-CB 3.33Å; K310-L314 PolarHBondContact O-N 2.9Å |
| 311 | E | 96.6 | Very high | 95.6 | Very high | 78 Ų | 78 | 108.1 Ų | 108.1 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 177.3 | -70.7 | -177.1 | -144.8 | 0 | 0 | 112.5 | Q307 E308 L314 K315 | Q307-E311 WeakPolarHBondContact CG-OE1 3.49Å; Q307-E311 PolarHBondContact NE2-OE1 3.02Å; Q307-E311 PolarHBondContact O-N 2.73Å; E308-E311 PolarHBondContact O-N 2.85Å; E311-L314 PolarHBondContact O-N 2.97Å; E311-K315 WeakPolarHBondContact O-CB 3.41Å; E311-K315 VanDerWaalsContact O-CG 3.3Å; E311-K315 WeakPolarHBondContact O-CG 3.48Å; E311-K315 PolarHBondContact O-N 2.99Å; E311-K315 IonicContact OE2-NZ 3.74Å |
| 312 | V | 96.3 | Very high | 95.8 | Very high | 96 Ų | 96 | 109 Ų | 109 | 58% | 0.582 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 175.4 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | E308 L309 R316 | E308-V312 WeakPolarHBondContact O-CB 3.39Å; E308-V312 VanDerWaalsContact O-CG2 3.3Å; E308-V312 WeakPolarHBondContact O-CG2 3.13Å; E308-V312 PolarHBondContact O-N 3.17Å; L309-V312 PolarHBondContact O-N 3.26Å; V312-R316 WeakPolarHBondContact O-CB 3.2Å; V312-R316 PolarHBondContact O-N 3.41Å |
| 313 | L | 96.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 176 | -72.9 | 170.4 | 0 | 0 | 0 | 112.1 | L309 K310 R316 A317 | L309-L313 HydrophobicContact CD2-CD1 4.12Å; L309-L313 HydrophobicContact CG-CD1 4.11Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 VanDerWaalsContact O-CG 3.23Å; L309-L313 WeakPolarHBondContact O-CG 2.94Å; L309-L313 PolarHBondContact O-N 3.45Å; K310-L313 PolarHBondContact O-N 2.58Å; L313-R316 WeakPolarHBondContact O-CB 3.42Å; L313-R316 PolarHBondContact O-N 3.44Å; L313-R316 VanDerWaalsContact O-N 3.16Å; L313-A317 PolarHBondContact O-N 3.16Å |
| 314 | L | 96 | Very high | 95.6 | Very high | 90 Ų | 90 | 107 Ų | 107 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 174.9 | -175.8 | 149.4 | 0 | 0 | 0 | 110.8 | K310 E311 R316 A317 E318 | K310-L314 VanDerWaalsContact O-CB 3.3Å; K310-L314 WeakPolarHBondContact O-CB 3.33Å; K310-L314 PolarHBondContact O-N 2.9Å; E311-L314 PolarHBondContact O-N 2.97Å; L314-R316 PolarHBondContact O-N 3.31Å; L314-R316 VanDerWaalsContact O-N 3.12Å; L314-A317 WeakPolarHBondContact O-CA 3.19Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 2.64Å; L314-E318 HydrophobicContact CD2-CG 4.27Å; L314-E318 VanDerWaalsContact CD2-OE1 3.25Å; L314-E318 WeakPolarHBondContact CD2-OE1 3.39Å; L314-E318 WeakPolarHBondContact O-CG 3.5Å; L314-E318 PolarHBondContact O-N 3.44Å |
| 315 | K | 96.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 107.6 Ų | 107.6 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -19.6 | 174.2 | -70.1 | 164.9 | -178.6 | 157.9 | 0 | 113.3 | E311 E318 R319 | E311-K315 WeakPolarHBondContact O-CB 3.41Å; E311-K315 VanDerWaalsContact O-CG 3.3Å; E311-K315 WeakPolarHBondContact O-CG 3.48Å; E311-K315 PolarHBondContact O-N 2.99Å; E311-K315 IonicContact OE2-NZ 3.74Å; K315-E318 WeakPolarHBondContact CA-OE2 3.25Å; K315-R319 WeakPolarHBondContact O-CG 3.41Å; K315-R319 PolarHBondContact O-NH1 2.86Å |
| 316 | R | 96.8 | Very high | 95.1 | Very high | 168 Ų | 168 | 107 Ų | 107 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -82.2 | -37.7 | 171.3 | -173.4 | 174 | -178.6 | 162.7 | 2.3 | 111.8 | V312 L313 L314 L320 | V312-R316 WeakPolarHBondContact O-CB 3.2Å; V312-R316 PolarHBondContact O-N 3.41Å; L313-R316 WeakPolarHBondContact O-CB 3.42Å; L313-R316 PolarHBondContact O-N 3.44Å; L313-R316 VanDerWaalsContact O-N 3.16Å; L314-R316 PolarHBondContact O-N 3.31Å; L314-R316 VanDerWaalsContact O-N 3.12Å; R316-L320 HydrophobicContact CG-CD1 4.24Å; R316-L320 VanDerWaalsContact O-CG 3.32Å; R316-L320 WeakPolarHBondContact O-CG 3.29Å; R316-L320 PolarHBondContact O-N 2.96Å; R316-L320 VanDerWaalsContact O-N 3.14Å |
| 317 | A | 95.9 | Very high | 94.9 | Very high | 56 Ų | 56 | 101.9 Ų | 101.9 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L313 L314 R319 L320 E321 | L313-A317 PolarHBondContact O-N 3.16Å; L314-A317 WeakPolarHBondContact O-CA 3.19Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 2.64Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.1Å; A317-L320 PolarHBondContact O-N 2.75Å; A317-E321 PolarHBondContact O-N 3.45Å |
| 318 | E | 96.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -53.4 | -43.2 | 177 | -67.3 | 170.3 | 155.5 | 0 | 0 | 112.7 | L314 K315 A322 | L314-E318 HydrophobicContact CD2-CG 4.27Å; L314-E318 VanDerWaalsContact CD2-OE1 3.25Å; L314-E318 WeakPolarHBondContact CD2-OE1 3.39Å; L314-E318 WeakPolarHBondContact O-CG 3.5Å; L314-E318 PolarHBondContact O-N 3.44Å; K315-E318 WeakPolarHBondContact CA-OE2 3.25Å; E318-A322 WeakPolarHBondContact O-CB 3.38Å; E318-A322 PolarHBondContact O-N 2.81Å |
| 319 | R | 95.2 | Very high | 94.5 | Very high | 169 Ų | 169 | 101 Ų | 101 | 64% | 0.638 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.7 | -33.5 | 177.6 | -71.3 | -177.5 | -170.6 | 100.4 | -12.3 | 113.1 | K315 A317 S323 | K315-R319 WeakPolarHBondContact O-CG 3.41Å; K315-R319 PolarHBondContact O-NH1 2.86Å; A317-R319 VanDerWaalsContact C-N 3.29Å; A317-R319 PolarHBondContact O-N 3.1Å; R319-S323 WeakPolarHBondContact O-CB 3.46Å; R319-S323 PolarHBondContact O-N 2.75Å; R319-S323 PolarHBondContact O-OG 2.83Å |
| 320 | L | 94.5 | Very high | 94.1 | Very high | 104 Ų | 104 | 103.6 Ų | 103.6 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.7 | -42 | 176.4 | -72.6 | 169.4 | 0 | 0 | 0 | 110.7 | R316 A317 S323 E324 | R316-L320 HydrophobicContact CG-CD1 4.24Å; R316-L320 VanDerWaalsContact O-CG 3.32Å; R316-L320 WeakPolarHBondContact O-CG 3.29Å; R316-L320 PolarHBondContact O-N 2.96Å; R316-L320 VanDerWaalsContact O-N 3.14Å; A317-L320 PolarHBondContact O-N 2.75Å; L320-S323 WeakPolarHBondContact O-CB 3.49Å; L320-S323 PolarHBondContact O-N 3.15Å; L320-E324 WeakPolarHBondContact O-CB 3.47Å; L320-E324 PolarHBondContact O-N 2.91Å |
| 321 | E | 95.6 | Very high | 93.7 | Very high | 120 Ų | 120 | 102.4 Ų | 102.4 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 173.9 | -178.2 | 172.3 | -168.3 | 0 | 0 | 111.5 | A317 S323 E324 I325 | A317-E321 PolarHBondContact O-N 3.45Å; E321-S323 VanDerWaalsContact C-N 3.3Å; E321-S323 PolarHBondContact O-N 2.92Å; E321-E324 PolarHBondContact O-N 3.48Å; E321-I325 HydrophobicContact CG-CD1 3.99Å; E321-I325 WeakPolarHBondContact O-CB 3.41Å; E321-I325 VanDerWaalsContact O-CG1 3.29Å; E321-I325 WeakPolarHBondContact O-CG1 3.32Å; E321-I325 PolarHBondContact O-N 2.92Å |
| 322 | A | 93.5 | Very high | 93.4 | Very high | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E318 E326 | E318-A322 WeakPolarHBondContact O-CB 3.38Å; E318-A322 PolarHBondContact O-N 2.81Å; A322-E326 WeakPolarHBondContact O-CB 3.33Å; A322-E326 PolarHBondContact O-N 3.42Å |
| 323 | S | 91.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 101.9 Ų | 101.9 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -35.4 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | R319 L320 E321 A327 | R319-S323 WeakPolarHBondContact O-CB 3.46Å; R319-S323 PolarHBondContact O-N 2.75Å; R319-S323 PolarHBondContact O-OG 2.83Å; L320-S323 WeakPolarHBondContact O-CB 3.49Å; L320-S323 PolarHBondContact O-N 3.15Å; E321-S323 VanDerWaalsContact C-N 3.3Å; E321-S323 PolarHBondContact O-N 2.92Å; S323-A327 VanDerWaalsContact O-CB 3.28Å; S323-A327 WeakPolarHBondContact O-CB 3.4Å; S323-A327 PolarHBondContact O-N 2.9Å |
| 324 | E | 92.9 | Very high | 92.3 | Very high | 126 Ų | 126 | 101 Ų | 101 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.5 | -42.3 | 176.1 | -178.7 | 167.8 | -175.9 | 0 | 0 | 111.2 | L320 E321 A327 N328 | L320-E324 WeakPolarHBondContact O-CB 3.47Å; L320-E324 PolarHBondContact O-N 2.91Å; E321-E324 PolarHBondContact O-N 3.48Å; E324-A327 PolarHBondContact O-N 3.46Å; E324-N328 VanDerWaalsContact O-CB 3.32Å; E324-N328 WeakPolarHBondContact O-CB 3.36Å; E324-N328 PolarHBondContact O-N 3.25Å; E324-N328 PolarHBondContact O-ND2 2.78Å; E324-N328 VanDerWaalsContact O-ND2 3.07Å |
| 325 | I | 89.8 | Confident | 91.9 | Very high | 84 Ų | 84 | 100.5 Ų | 100.5 | 43% | 0.431 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 172.3 | -68.6 | 165.9 | 0 | 0 | 0 | 110.5 | E321 N328 Q329 | E321-I325 HydrophobicContact CG-CD1 3.99Å; E321-I325 WeakPolarHBondContact O-CB 3.41Å; E321-I325 VanDerWaalsContact O-CG1 3.29Å; E321-I325 WeakPolarHBondContact O-CG1 3.32Å; E321-I325 PolarHBondContact O-N 2.92Å; I325-N328 PolarHBondContact O-N 3.4Å; I325-Q329 WeakPolarHBondContact O-CB 3.47Å; I325-Q329 VanDerWaalsContact O-CG 3.28Å; I325-Q329 WeakPolarHBondContact O-CG 3.29Å; I325-Q329 PolarHBondContact O-N 2.86Å |
| 326 | E | 92.3 | Very high | 91.4 | Very high | 91 Ų | 91 | 102.2 Ų | 102.2 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 177.2 | -162.6 | -164.9 | 178.1 | 0 | 0 | 112 | A322 N328 Q329 R330 | A322-E326 WeakPolarHBondContact O-CB 3.33Å; A322-E326 PolarHBondContact O-N 3.42Å; E326-N328 PolarHBondContact O-N 3.05Å; E326-Q329 PolarHBondContact O-N 3.28Å; E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 VanDerWaalsContact O-CG 3.28Å; E326-R330 WeakPolarHBondContact O-CG 3.28Å; E326-R330 PolarHBondContact O-N 2.84Å; E326-R330 IonicContact OE1-CZ 2.99Å; E326-R330 IonicContact OE1-NE 2.68Å; E326-R330 PolarHBondContact OE1-NE 2.99Å; E326-R330 IonicContact OE1-NH2 3.28Å; E326-R330 PolarHBondContact OE1-NH2 2.93Å; E326-R330 IonicContact OE2-NH2 3.86Å |
| 327 | A | 90.7 | Very high | 91 | Very high | 51 Ų | 51 | 99.8 Ų | 99.8 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S323 E324 Q329 R330 E331 | S323-A327 VanDerWaalsContact O-CB 3.28Å; S323-A327 WeakPolarHBondContact O-CB 3.4Å; S323-A327 PolarHBondContact O-N 2.9Å; E324-A327 PolarHBondContact O-N 3.46Å; A327-Q329 PolarHBondContact O-N 3.22Å; A327-R330 PolarHBondContact O-N 3.17Å; A327-E331 WeakPolarHBondContact O-CB 3.41Å; A327-E331 PolarHBondContact O-N 3.1Å |
| 328 | N | 93.5 | Very high | 90.7 | Very high | 87 Ų | 87 | 103.6 Ų | 103.6 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 177.3 | -69.8 | -29.3 | 0 | 0 | 0 | 112.1 | E324 I325 E326 F332 | E324-N328 VanDerWaalsContact O-CB 3.32Å; E324-N328 WeakPolarHBondContact O-CB 3.36Å; E324-N328 PolarHBondContact O-N 3.25Å; E324-N328 PolarHBondContact O-ND2 2.78Å; E324-N328 VanDerWaalsContact O-ND2 3.07Å; I325-N328 PolarHBondContact O-N 3.4Å; E326-N328 PolarHBondContact O-N 3.05Å; N328-F332 WeakPolarHBondContact O-CB 3.22Å; N328-F332 PolarHBondContact O-N 2.93Å |
| 329 | Q | 90.3 | Very high | 90.3 | Very high | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -45.6 | 172.7 | -74.7 | 174.4 | 9.3 | 0 | 0 | 111.8 | I325 E326 A327 F332 V333 | I325-Q329 WeakPolarHBondContact O-CB 3.47Å; I325-Q329 VanDerWaalsContact O-CG 3.28Å; I325-Q329 WeakPolarHBondContact O-CG 3.29Å; I325-Q329 PolarHBondContact O-N 2.86Å; E326-Q329 PolarHBondContact O-N 3.28Å; A327-Q329 PolarHBondContact O-N 3.22Å; Q329-F332 PolarHBondContact O-N 2.81Å; Q329-V333 WeakPolarHBondContact O-CG2 3.43Å; Q329-V333 PolarHBondContact O-N 2.76Å |
| 330 | R | 88.4 | Confident | 90.1 | Very high | 155 Ų | 155 | 97.2 Ų | 97.2 | 59% | 0.585 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 176.1 | -70.7 | 167.9 | 174.7 | -143.9 | 6.4 | 111.3 | E326 A327 V333 V334 | E326-R330 WeakPolarHBondContact O-CB 3.27Å; E326-R330 VanDerWaalsContact O-CG 3.28Å; E326-R330 WeakPolarHBondContact O-CG 3.28Å; E326-R330 PolarHBondContact O-N 2.84Å; E326-R330 IonicContact OE1-CZ 2.99Å; E326-R330 IonicContact OE1-NE 2.68Å; E326-R330 PolarHBondContact OE1-NE 2.99Å; E326-R330 IonicContact OE1-NH2 3.28Å; E326-R330 PolarHBondContact OE1-NH2 2.93Å; E326-R330 IonicContact OE2-NH2 3.86Å; A327-R330 PolarHBondContact O-N 3.17Å; R330-V333 PolarHBondContact O-N 3.3Å; R330-V334 WeakPolarHBondContact O-CB 3.26Å; R330-V334 WeakPolarHBondContact O-CG2 3.49Å; R330-V334 PolarHBondContact O-N 3.23Å |
| 331 | E | 89.2 | Confident | 89.7 | Confident | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 175.4 | -175 | 173.2 | 178.4 | 0 | 0 | 111.8 | A327 V334 T335 | A327-E331 WeakPolarHBondContact O-CB 3.41Å; A327-E331 PolarHBondContact O-N 3.1Å; E331-V334 PolarHBondContact O-N 2.88Å; E331-T335 WeakPolarHBondContact O-CB 3.2Å; E331-T335 PolarHBondContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 2.84Å |
| 332 | F | 88.6 | Confident | 89.1 | Confident | 133 Ų | 133 | 95.1 Ų | 95.1 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 174 | 175.4 | -97.1 | 0 | 0 | 0 | 112 | N328 Q329 T335 R336 | N328-F332 WeakPolarHBondContact O-CB 3.22Å; N328-F332 PolarHBondContact O-N 2.93Å; Q329-F332 PolarHBondContact O-N 2.81Å; F332-T335 PolarHBondContact O-N 2.89Å; F332-R336 HydrophobicContact CE1-CG 4.1Å; F332-R336 HydrophobicContact CE2-CG 4.26Å; F332-R336 HydrophobicContact CZ-CG 3.9Å; F332-R336 WeakPolarHBondContact O-CB 3.5Å; F332-R336 PolarHBondContact O-N 2.81Å |
| 333 | V | 86.7 | Confident | 88.4 | Confident | 31 Ų | 31 | 99.4 Ų | 99.4 | 19% | 0.188 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 178.3 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | Q329 R330 R336 Y337 Y343 P344 | Q329-V333 WeakPolarHBondContact O-CG2 3.43Å; Q329-V333 PolarHBondContact O-N 2.76Å; R330-V333 PolarHBondContact O-N 3.3Å; V333-R336 PolarHBondContact O-N 3.39Å; V333-Y337 WeakPolarHBondContact O-CB 3.15Å; V333-Y337 PolarHBondContact O-N 2.95Å; V333-Y343 HydrophobicContact CG1-CD2 4.2Å; V333-Y343 HydrophobicContact CG1-CE1 4.34Å; V333-Y343 HydrophobicContact CG1-CE2 3.48Å; V333-Y343 VanDerWaalsContact CG1-CE2 3.48Å; V333-P344 HydrophobicContact CB-CG 4.25Å; V333-P344 HydrophobicContact CG1-CG 3.95Å; V333-P344 HydrophobicContact CG2-CG 3.99Å |
| 334 | V | 84.5 | Confident | 87.5 | Confident | 81 Ų | 81 | 97.4 Ų | 97.4 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111 | R330 E331 R336 Y337 L338 | R330-V334 WeakPolarHBondContact O-CB 3.26Å; R330-V334 WeakPolarHBondContact O-CG2 3.49Å; R330-V334 PolarHBondContact O-N 3.23Å; E331-V334 PolarHBondContact O-N 2.88Å; V334-R336 PolarHBondContact O-N 2.93Å; V334-Y337 PolarHBondContact O-N 2.82Å; V334-L338 HydrophobicContact CG1-CD1 3.84Å; V334-L338 HydrophobicContact CG1-CG 4.32Å; V334-L338 WeakPolarHBondContact O-CB 3.43Å; V334-L338 WeakPolarHBondContact O-CG 3.38Å; V334-L338 PolarHBondContact O-N 2.86Å |
| 335 | T | 87.6 | Confident | 86 | Confident | 80 Ų | 80 | 101.5 Ų | 101.5 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 178.9 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | E331 F332 L338 A339 | E331-T335 WeakPolarHBondContact O-CB 3.2Å; E331-T335 PolarHBondContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 2.84Å; F332-T335 PolarHBondContact O-N 2.89Å; T335-L338 PolarHBondContact O-N 2.86Å; T335-A339 VanDerWaalsContact O-CB 3.24Å; T335-A339 WeakPolarHBondContact O-CB 3.41Å; T335-A339 PolarHBondContact O-N 3.46Å |
| 336 | R | 86.1 | Confident | 84.1 | Confident | 130 Ų | 130 | 101.8 Ų | 101.8 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 172.5 | -101.5 | -64.4 | -143.1 | 156.7 | 5.1 | 112.1 | F332 V333 V334 A339 T340 P344 | F332-R336 HydrophobicContact CE1-CG 4.1Å; F332-R336 HydrophobicContact CE2-CG 4.26Å; F332-R336 HydrophobicContact CZ-CG 3.9Å; F332-R336 WeakPolarHBondContact O-CB 3.5Å; F332-R336 PolarHBondContact O-N 2.81Å; V333-R336 PolarHBondContact O-N 3.39Å; V334-R336 PolarHBondContact O-N 2.93Å; R336-A339 PolarHBondContact O-N 2.91Å; R336-T340 PolarHBondContact O-N 2.75Å; R336-T340 VanDerWaalsContact O-N 3.09Å; R336-T340 PolarHBondContact O-OG1 3.38Å; R336-P344 HydrophobicContact CB-CG 4.46Å |
| 337 | Y | 87.9 | Confident | 82.2 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 178.7 | 175.4 | -112.5 | 0 | 0 | 0 | 111.4 | V333 V334 A339 T340 G341 | V333-Y337 WeakPolarHBondContact O-CB 3.15Å; V333-Y337 PolarHBondContact O-N 2.95Å; V334-Y337 PolarHBondContact O-N 2.82Å; Y337-A339 VanDerWaalsContact C-N 3.29Å; Y337-A339 PolarHBondContact O-N 3.32Å; Y337-T340 PolarHBondContact O-N 2.93Å; Y337-G341 WeakPolarHBondContact CE2-O 3.41Å; Y337-G341 WeakPolarHBondContact O-CA 3.48Å; Y337-G341 PolarHBondContact O-N 2.79Å |
| 338 | L | 88.3 | Confident | 80.2 | Confident | 135 Ų | 135 | 104.7 Ų | 104.7 | 71% | 0.707 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.9 | -32.9 | 176.5 | -69.1 | 172.9 | 0 | 0 | 0 | 113 | V334 T335 | V334-L338 HydrophobicContact CG1-CD1 3.84Å; V334-L338 HydrophobicContact CG1-CG 4.32Å; V334-L338 WeakPolarHBondContact O-CB 3.43Å; V334-L338 WeakPolarHBondContact O-CG 3.38Å; V334-L338 PolarHBondContact O-N 2.86Å; T335-L338 PolarHBondContact O-N 2.86Å |
| 339 | A | 89.5 | Confident | 78 | Confident | 82 Ų | 82 | 107.8 Ų | 107.8 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -81.7 | -18.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T335 R336 Y337 | T335-A339 VanDerWaalsContact O-CB 3.24Å; T335-A339 WeakPolarHBondContact O-CB 3.41Å; T335-A339 PolarHBondContact O-N 3.46Å; R336-A339 PolarHBondContact O-N 2.91Å; Y337-A339 VanDerWaalsContact C-N 3.29Å; Y337-A339 PolarHBondContact O-N 3.32Å |
| 340 | T | 89.5 | Confident | 75.9 | Confident | 59 Ų | 59 | 109.3 Ų | 109.3 | 36% | 0.362 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -129.3 | -14 | -174.1 | 61 | 0 | 0 | 0 | 0 | 115.4 | R336 Y337 I342 | R336-T340 PolarHBondContact O-N 2.75Å; R336-T340 VanDerWaalsContact O-N 3.09Å; R336-T340 PolarHBondContact O-OG1 3.38Å; Y337-T340 PolarHBondContact O-N 2.93Å; T340-I342 PolarHBondContact O-N 3.24Å; T340-I342 PolarHBondContact OG1-N 3.45Å; T340-I342 PolarHBondContact OG1-O 2.81Å |
| 341 | G | 86.1 | Confident | 73.8 | Confident | 56 Ų | 56 | 106.5 Ų | 106.5 | 58% | 0.577 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 68.9 | -1.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y337 | Y337-G341 WeakPolarHBondContact CE2-O 3.41Å; Y337-G341 WeakPolarHBondContact O-CA 3.48Å; Y337-G341 PolarHBondContact O-N 2.79Å |
| 342 | I | 83.7 | Confident | 71.7 | Confident | 123 Ų | 123 | 103.7 Ų | 103.7 | 63% | 0.631 | 59% | 0.587 | S | S | * | * | trans | -112.9 | 117.8 | -173.6 | -60.2 | 170.3 | 0 | 0 | 0 | 109 | T340 | T340-I342 PolarHBondContact O-N 3.24Å; T340-I342 PolarHBondContact OG1-N 3.45Å; T340-I342 PolarHBondContact OG1-O 2.81Å | ||
| 343 | Y | 79.6 | Confident | 69.3 | Low | 149 Ų | 149 | 102.2 Ų | 102.2 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | trans | -68.4 | 127.8 | 174.7 | -168.2 | -88.6 | 0 | 0 | 0 | 109.3 | V333 K345 | V333-Y343 HydrophobicContact CG1-CD2 4.2Å; V333-Y343 HydrophobicContact CG1-CE1 4.34Å; V333-Y343 HydrophobicContact CG1-CE2 3.48Å; V333-Y343 VanDerWaalsContact CG1-CE2 3.48Å; Y343-K345 PolarHBondContact O-N 3.07Å; Y343-K345 VanDerWaalsContact O-N 3.1Å | ||
| 344 | P | 73.1 | Confident | 67.5 | Low | 28 Ų | 28 | 112.5 Ų | 112.5 | 18% | 0.182 | 63% | 0.626 | C | S | . | * | trans | -65.7 | 112.6 | -174.7 | 25.4 | -33.6 | 0 | 0 | 0 | 111.4 | V333 R336 S346 | V333-P344 HydrophobicContact CB-CG 4.25Å; V333-P344 HydrophobicContact CG1-CG 3.95Å; V333-P344 HydrophobicContact CG2-CG 3.99Å; R336-P344 HydrophobicContact CB-CG 4.46Å; P344-S346 PolarHBondContact O-N 2.82Å | ||
| 345 | K | 59.7 | Low | 66 | Low | 211 Ų | 211 | 114 Ų | 114 | 92% | 0.917 | 64% | 0.635 | S | S | * | * | trans | -80.6 | 54.7 | 176.9 | -67.7 | -171.3 | 176.7 | -177.3 | 0 | 112.5 | Y343 | Y343-K345 PolarHBondContact O-N 3.07Å; Y343-K345 VanDerWaalsContact O-N 3.1Å | ||
| 346 | S | 51.9 | Low | 64.4 | Low | 91 Ų | 91 | 116.7 Ų | 116.7 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | trans | -164.6 | 143.1 | 171.8 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | P344 | P344-S346 PolarHBondContact O-N 2.82Š| ||
| 347 | V | 52.3 | Low | 62.7 | Low | 133 Ų | 133 | 117.6 Ų | 117.6 | 81% | 0.806 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -132.6 | 135.2 | 14.2 | -178.4 | 0 | 0 | 0 | 0 | 111 | I349 | V347-I349 PolarHBondContact O-N 2.86Š|
| 348 | G | 47.9 | Very low | 61.5 | Low | 69 Ų | 69 | 115.1 Ų | 115.1 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 72.7 | -16.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 349 | I | 47.8 | Very low | 60.3 | Low | 153 Ų | 153 | 112.9 Ų | 112.9 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | -125.8 | 19.8 | -175.1 | -27.2 | -178.4 | 0 | 0 | 0 | 114.2 | V347 S351 | V347-I349 PolarHBondContact O-N 2.86Å; I349-S351 PolarHBondContact O-N 2.81Å | ||
| 350 | D | 45.9 | Very low | 59.2 | Low | 152 Ų | 152 | 113.8 Ų | 113.8 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | trans | -79.3 | 44.4 | 158.3 | -162 | 18.8 | 0 | 0 | 0 | 111 | A352 | D350-A352 PolarHBondContact O-N 2.9Š| ||
| 351 | S | 44 | Very low | 58.3 | Low | 95 Ų | 95 | 114.7 Ų | 114.7 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | trans | -88.3 | 26.4 | 167.4 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | I349 P353 | I349-S351 PolarHBondContact O-N 2.81Å; S351-P353 WeakPolarHBondContact O-CD 3.49Å | ||
| 352 | A | 45.1 | Very low | 57.2 | Low | 69 Ų | 69 | 118.5 Ų | 118.5 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | trans | -65 | 107 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | D350 R354 | D350-A352 PolarHBondContact O-N 2.9Å; A352-R354 PolarHBondContact O-N 3.44Å | ||
| 353 | P | 37.5 | Very low | 56.6 | Low | 101 Ų | 101 | 119.9 Ų | 119.9 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | trans | -65.5 | 134.2 | -171.2 | 28.1 | -34.3 | 0 | 0 | 0 | 109 | S351 V355 | S351-P353 WeakPolarHBondContact O-CD 3.49Å; P353-V355 HydrophobicContact CB-CB 4.29Å; P353-V355 HydrophobicContact CB-CG2 3.96Å; P353-V355 PolarHBondContact O-N 3.26Å | ||
| 354 | R | 49.9 | Very low | 55.8 | Low | 247 Ų | 247 | 118.5 Ų | 118.5 | 93% | 0.932 | 68% | 0.68 | S | S | * | * | trans | -70.3 | 41.1 | 168.4 | -86.5 | -174.1 | 161.8 | -154.3 | -3.4 | 112.1 | A352 V356 | A352-R354 PolarHBondContact O-N 3.44Å; R354-V356 PolarHBondContact O-N 3.44Å | ||
| 355 | V | 53 | Low | 55.6 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | trans | -92.2 | 88.6 | 173.5 | 174.7 | 0 | 0 | 0 | 0 | 107 | P353 Q357 | P353-V355 HydrophobicContact CB-CB 4.29Å; P353-V355 HydrophobicContact CB-CG2 3.96Å; P353-V355 PolarHBondContact O-N 3.26Å; V355-Q357 PolarHBondContact O-N 2.96Å | ||
| 356 | V | 54 | Low | 55.7 | Low | 136 Ų | 136 | 117.6 Ų | 117.6 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | trans | -69.6 | 107.4 | 161.1 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | R354 C358 | R354-V356 PolarHBondContact O-N 3.44Å; V356-C358 PolarHBondContact O-N 2.88Å | ||
| 357 | Q | 49.4 | Very low | 56.2 | Low | 149 Ų | 149 | 116.8 Ų | 116.8 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | trans | -69.1 | 93.9 | -178.5 | -175.7 | 171.2 | -7.9 | 0 | 0 | 109.8 | V355 | V355-Q357 PolarHBondContact O-N 2.96Š| ||
| 358 | C | 63.1 | Low | 56.2 | Low | 66 Ų | 66 | 114.6 Ų | 114.6 | 45% | 0.446 | 67% | 0.674 | S | S | . | * | trans | -71.1 | 135.9 | 176.7 | 67.8 | 0 | 0 | 0 | 0 | 110.8 | V356 L360 | V356-C358 PolarHBondContact O-N 2.88Å; C358-L360 PolarHBondContact O-N 2.92Å | ||
| 359 | G | 63.6 | Low | 56.3 | Low | 88 Ų | 88 | 117 Ų | 117 | 91% | 0.907 | 67% | 0.674 | S | S | * | * | trans | -76.9 | 23.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 360 | L | 66.9 | Low | 56.5 | Low | 101 Ų | 101 | 116.9 Ų | 116.9 | 53% | 0.529 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -87.4 | 144.4 | 179.9 | -70.1 | 174.3 | 0 | 0 | 0 | 110.7 | C358 V365 | C358-L360 PolarHBondContact O-N 2.92Å; L360-V365 HydrophobicContact CB-CG2 3.8Å |
| 361 | P | 68.9 | Low | 56.8 | Low | 78 Ų | 78 | 118.3 Ų | 118.3 | 51% | 0.506 | 67% | 0.673 | S | S | . | * | trans | -56.5 | 141.6 | 174.9 | -24.7 | 34.5 | 0 | 0 | 0 | 112 | E363 M364 V365 | P361-E363 PolarHBondContact O-N 3.29Å; P361-E363 VanDerWaalsContact O-N 3.12Å; P361-M364 PolarHBondContact O-N 3.32Å; P361-V365 PolarHBondContact O-N 3.05Å | ||
| 362 | L | 64.9 | Low | 56.8 | Low | 136 Ų | 136 | 120.7 Ų | 120.7 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -55.5 | -35.4 | -176.1 | -175.1 | 62.1 | 0 | 0 | 0 | 112.7 | M364 V365 K366 | L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.9Å; L362-V365 PolarHBondContact O-N 3.06Å; L362-V365 VanDerWaalsContact O-N 3.14Å; L362-K366 VanDerWaalsContact O-CB 3.25Å; L362-K366 WeakPolarHBondContact O-CB 3.39Å; L362-K366 PolarHBondContact O-N 3.1Å |
| 363 | E | 69.8 | Low | 56.5 | Low | 153 Ų | 153 | 123.8 Ų | 123.8 | 72% | 0.715 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -52.4 | -40.4 | 172.4 | -66.4 | -63.7 | 111.2 | 0 | 0 | 113.1 | P361 | P361-E363 PolarHBondContact O-N 3.29Å; P361-E363 VanDerWaalsContact O-N 3.12Å |
| 364 | M | 63.5 | Low | 56.8 | Low | 120 Ų | 120 | 127 Ų | 127 | 59% | 0.591 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -81.4 | -24.4 | 179.8 | -65.4 | -175.7 | 66.7 | 0 | 0 | 113.2 | P361 L362 C368 | P361-M364 PolarHBondContact O-N 3.32Å; L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.9Å; M364-C368 PolarHBondContact O-SG 2.97Å |
| 365 | V | 68.5 | Low | 56.2 | Low | 54 Ų | 54 | 126.5 Ų | 126.5 | 33% | 0.327 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -85.5 | -27.2 | 179.9 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | L360 P361 L362 G367 C368 | L360-V365 HydrophobicContact CB-CG2 3.8Å; P361-V365 PolarHBondContact O-N 3.05Å; L362-V365 PolarHBondContact O-N 3.06Å; L362-V365 VanDerWaalsContact O-N 3.14Å; V365-G367 PolarHBondContact O-N 2.98Å; V365-C368 PolarHBondContact O-N 2.63Å |
| 366 | K | 61.5 | Low | 55.6 | Low | 165 Ų | 165 | 126.5 Ų | 126.5 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 91.3 | -176.2 | -173.5 | 178.4 | 179.8 | -173.8 | 0 | 112.1 | L362 | L362-K366 VanDerWaalsContact O-CB 3.25Å; L362-K366 WeakPolarHBondContact O-CB 3.39Å; L362-K366 PolarHBondContact O-N 3.1Å |
| 367 | G | 63 | Low | 55 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.3 | -5.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V365 T369 | V365-G367 PolarHBondContact O-N 2.98Å; G367-T369 PolarHBondContact O-N 3.35Å; G367-T369 VanDerWaalsContact O-N 3.11Å |
| 368 | C | 51.9 | Low | 54.4 | Low | 88 Ų | 88 | 123.2 Ų | 123.2 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | trans | -72.1 | 103.5 | 174.8 | -86.9 | 0 | 0 | 0 | 0 | 111.9 | M364 V365 I370 | M364-C368 PolarHBondContact O-SG 2.97Å; V365-C368 PolarHBondContact O-N 2.63Å; C368-I370 PolarHBondContact O-N 2.98Å | ||
| 369 | T | 50.5 | Low | 53 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | -73.2 | 108.6 | 168.8 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | G367 K371 | G367-T369 PolarHBondContact O-N 3.35Å; G367-T369 VanDerWaalsContact O-N 3.11Å; T369-K371 VanDerWaalsContact C-N 3.34Å; T369-K371 HydrophobicContact CG2-CG 4.41Å; T369-K371 PolarHBondContact O-N 3.06Å | ||
| 370 | I | 52.8 | Low | 51.6 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | trans | -70.3 | 90.3 | 174.6 | -57.2 | 173.4 | 0 | 0 | 0 | 109.2 | C368 L372 | C368-I370 PolarHBondContact O-N 2.98Å; I370-L372 HydrophobicContact CG2-CD2 4.39Å; I370-L372 PolarHBondContact O-N 3.45Å | ||
| 371 | K | 50.2 | Low | 50.2 | Low | 181 Ų | 181 | 129.5 Ų | 129.5 | 79% | 0.787 | 71% | 0.714 | S | S | * | * | trans | -74.7 | 104.3 | 164 | -68.4 | -173.5 | 178.3 | -177.2 | 0 | 108 | T369 N373 | T369-K371 VanDerWaalsContact C-N 3.34Å; T369-K371 HydrophobicContact CG2-CG 4.41Å; T369-K371 PolarHBondContact O-N 3.06Å; K371-N373 PolarHBondContact O-N 2.92Å | ||
| 372 | L | 44.5 | Very low | 48.4 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | -62.7 | 101.9 | 165 | -70 | 175.8 | 0 | 0 | 0 | 107.5 | I370 E374 | I370-L372 HydrophobicContact CG2-CD2 4.39Å; I370-L372 PolarHBondContact O-N 3.45Å; L372-E374 VanDerWaalsContact C-N 3.29Å; L372-E374 PolarHBondContact O-N 3.4Å | ||
| 373 | N | 39.5 | Very low | 47 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | -75.7 | 87.4 | 177.8 | -161.4 | 44.7 | 0 | 0 | 0 | 108 | K371 R375 | K371-N373 PolarHBondContact O-N 2.92Å; N373-R375 PolarHBondContact O-N 2.75Å | ||
| 374 | E | 44.5 | Very low | 45.3 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -51.5 | 125.4 | 164.3 | -65.3 | -162.6 | 163.9 | 0 | 0 | 107.3 | L372 T376 | L372-E374 VanDerWaalsContact C-N 3.29Å; L372-E374 PolarHBondContact O-N 3.4Å; E374-T376 VanDerWaalsContact C-N 3.33Å; E374-T376 PolarHBondContact O-N 3.03Å | ||
| 375 | R | 37.3 | Very low | 44 | Very low | 237 Ų | 237 | 136.7 Ų | 136.7 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | trans | -68.6 | 92.8 | -169.4 | -73.9 | -178.9 | 174 | 178.8 | -2.9 | 109.5 | N373 P377 | N373-R375 PolarHBondContact O-N 2.75Å; R375-P377 WeakPolarHBondContact O-CD 3.04Å; R375-P377 VanDerWaalsContact O-N 3.14Å | ||
| 376 | T | 40.3 | Very low | 42.7 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 118.5 | 161.1 | 20.6 | 0 | 0 | 0 | 0 | 107.5 | E374 A378 | E374-T376 VanDerWaalsContact C-N 3.33Å; E374-T376 PolarHBondContact O-N 3.03Å; T376-A378 PolarHBondContact O-N 3.15Å |
| 377 | P | 40.7 | Very low | 41.8 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128.9 | -175.7 | 22.7 | -32.2 | 0 | 0 | 0 | 108.9 | R375 T379 | R375-P377 WeakPolarHBondContact O-CD 3.04Å; R375-P377 VanDerWaalsContact O-N 3.14Å; P377-T379 PolarHBondContact O-N 2.78Å |
| 378 | A | 36.8 | Very low | 40.8 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T376 C380 | T376-A378 PolarHBondContact O-N 3.15Å; A378-C380 VanDerWaalsContact C-N 3.33Å; A378-C380 PolarHBondContact O-N 2.93Å |
| 379 | T | 32.7 | Very low | 40.6 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -66.2 | 88.5 | 178.1 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | P377 | P377-T379 PolarHBondContact O-N 2.78Š| ||
| 380 | C | 36 | Very low | 40.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -90 | 128.2 | 170.9 | -163.4 | 0 | 0 | 0 | 0 | 109.1 | A378 K382 | A378-C380 VanDerWaalsContact C-N 3.33Å; A378-C380 PolarHBondContact O-N 2.93Å; C380-K382 PolarHBondContact O-N 2.85Å | ||
| 381 | D | 35.5 | Very low | 40.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 124.3 | -175.1 | -99.4 | -66.2 | 0 | 0 | 0 | 112.8 | L383 | D381-L383 PolarHBondContact O-N 2.86Å; D381-L383 VanDerWaalsContact O-N 3.15Å | ||
| 382 | K | 33 | Very low | 40.6 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | trans | 41.7 | 59.4 | 144.1 | -58.3 | 174.8 | -171.8 | 166 | 0 | 117.1 | C380 | C380-K382 PolarHBondContact O-N 2.85Š| ||
| 383 | L | 34.1 | Very low | 41.6 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 72% | 0.715 | S | S | * | * | trans | -108.4 | 127.2 | 145.5 | -83.7 | 166 | 0 | 0 | 0 | 108.9 | D381 | D381-L383 PolarHBondContact O-N 2.86Å; D381-L383 VanDerWaalsContact O-N 3.15Å | ||
| 384 | H | 35 | Very low | 42.6 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | trans | -78.3 | 159.4 | -170.5 | -86.3 | -103.8 | 0 | 0 | 0 | 112.7 | ||||
| 385 | T | 36.2 | Very low | 43.8 | Very low | 117 Ų | 117 | 130 Ų | 130 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 75.8 | 139.4 | 159.4 | 33.4 | 0 | 0 | 0 | 0 | 120 | ||
| 386 | D | 41.2 | Very low | 45.8 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | trans | 82.4 | 3.8 | 151.7 | -57.1 | -5.5 | 0 | 0 | 0 | 123 | N388 T389 | D386-N388 PolarHBondContact O-N 2.97Å; D386-T389 PolarHBondContact O-N 3.49Å; D386-T389 PolarHBondContact O-OG1 2.94Å | ||
| 387 | T | 42.5 | Very low | 47.6 | Very low | 120 Ų | 120 | 126 Ų | 126 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -60 | -26.5 | 168.3 | 51 | 0 | 0 | 0 | 0 | 114.3 | T389 V390 | T387-T389 PolarHBondContact O-N 2.9Å; T387-V390 PolarHBondContact O-N 3.44Å |
| 388 | N | 41.5 | Very low | 49.5 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -61.9 | -2.9 | 179.3 | -98.4 | -49.9 | 0 | 0 | 0 | 115.5 | D386 K392 | D386-N388 PolarHBondContact O-N 2.97Å; N388-K392 WeakPolarHBondContact O-CD 3.43Å |
| 389 | T | 48.9 | Very low | 51.9 | Low | 88 Ų | 88 | 128.4 Ų | 128.4 | 54% | 0.54 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -89.9 | -33.3 | 177.7 | 57 | 0 | 0 | 0 | 0 | 113.1 | D386 T387 S393 | D386-T389 PolarHBondContact O-N 3.49Å; D386-T389 PolarHBondContact O-OG1 2.94Å; T387-T389 PolarHBondContact O-N 2.9Å; T389-S393 PolarHBondContact O-N 2.79Å; T389-S393 VanDerWaalsContact O-N 3.12Å |
| 390 | V | 51 | Low | 54.5 | Low | 92 Ų | 92 | 126.6 Ų | 126.6 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.4 | -51.7 | -166.7 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | T387 K392 S393 E394 | T387-V390 PolarHBondContact O-N 3.44Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 3.03Å; V390-S393 WeakPolarHBondContact O-CA 3.35Å; V390-S393 VanDerWaalsContact O-CB 3.31Å; V390-S393 WeakPolarHBondContact O-CB 3.44Å; V390-S393 PolarHBondContact O-N 3.4Å; V390-S393 PolarHBondContact O-OG 2.92Å; V390-E394 PolarHBondContact O-N 2.84Å |
| 391 | E | 50.4 | Low | 56.9 | Low | 155 Ų | 155 | 125.3 Ų | 125.3 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63 | -36.9 | 178.1 | -65.2 | -172.7 | 157.6 | 0 | 0 | 112.1 | S393 E394 L395 | E391-S393 PolarHBondContact O-N 2.92Å; E391-E394 PolarHBondContact O-N 3.38Å; E391-L395 PolarHBondContact O-N 3.17Å |
| 392 | K | 51 | Low | 59.6 | Low | 144 Ų | 144 | 124.6 Ų | 124.6 | 63% | 0.626 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.4 | -37.2 | 170.9 | -74.8 | -173.7 | -177.8 | 172.8 | 0 | 111.4 | N388 V390 Q396 | N388-K392 WeakPolarHBondContact O-CD 3.43Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 3.03Å; K392-Q396 WeakPolarHBondContact O-CB 3.35Å; K392-Q396 PolarHBondContact O-N 2.88Å |
| 393 | S | 65.1 | Low | 62.4 | Low | 46 Ų | 46 | 120.8 Ų | 120.8 | 32% | 0.322 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.5 | -36.2 | 177.2 | 86.4 | 0 | 0 | 0 | 0 | 112.9 | T389 V390 E391 Q396 R397 | T389-S393 PolarHBondContact O-N 2.79Å; T389-S393 VanDerWaalsContact O-N 3.12Å; V390-S393 WeakPolarHBondContact O-CA 3.35Å; V390-S393 VanDerWaalsContact O-CB 3.31Å; V390-S393 WeakPolarHBondContact O-CB 3.44Å; V390-S393 PolarHBondContact O-N 3.4Å; V390-S393 PolarHBondContact O-OG 2.92Å; E391-S393 PolarHBondContact O-N 2.92Å; S393-Q396 PolarHBondContact O-N 3.29Å; S393-R397 WeakPolarHBondContact O-CG 3.49Å; S393-R397 PolarHBondContact O-N 3.04Å |
| 394 | E | 61.3 | Low | 65.1 | Low | 128 Ų | 128 | 120 Ų | 120 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.1 | -43.5 | 177.5 | -65.6 | -135.4 | 127.5 | 0 | 0 | 112.3 | V390 E391 Q396 R397 H398 | V390-E394 PolarHBondContact O-N 2.84Å; E391-E394 PolarHBondContact O-N 3.38Å; E394-Q396 VanDerWaalsContact C-N 3.26Å; E394-Q396 PolarHBondContact O-N 3.44Å; E394-R397 PolarHBondContact O-N 2.88Å; E394-H398 PolarHBondContact O-N 3.28Å |
| 395 | L | 70.4 | Confident | 67.7 | Low | 121 Ų | 121 | 116.3 Ų | 116.3 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.7 | -33.7 | 172.8 | -69.9 | 175.4 | 0 | 0 | 0 | 112 | E391 R399 | E391-L395 PolarHBondContact O-N 3.17Å; L395-R399 PolarHBondContact O-N 3.18Å |
| 396 | Q | 79.3 | Confident | 70.3 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -45.7 | 173.1 | -166 | 76.5 | 1.3 | 0 | 0 | 111.3 | K392 S393 E394 H398 R399 E400 | K392-Q396 WeakPolarHBondContact O-CB 3.35Å; K392-Q396 PolarHBondContact O-N 2.88Å; S393-Q396 PolarHBondContact O-N 3.29Å; E394-Q396 VanDerWaalsContact C-N 3.26Å; E394-Q396 PolarHBondContact O-N 3.44Å; Q396-H398 PolarHBondContact O-N 3.22Å; Q396-R399 PolarHBondContact O-N 3.16Å; Q396-E400 WeakPolarHBondContact O-CB 3.4Å; Q396-E400 PolarHBondContact O-N 3.06Å |
| 397 | R | 77.6 | Confident | 72.7 | Confident | 158 Ų | 158 | 113.8 Ų | 113.8 | 60% | 0.596 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.9 | -45.5 | 173.2 | -73.8 | 175.3 | -159.2 | -109.7 | 9.6 | 111.6 | S393 E394 R399 E400 I401 | S393-R397 WeakPolarHBondContact O-CG 3.49Å; S393-R397 PolarHBondContact O-N 3.04Å; E394-R397 PolarHBondContact O-N 2.88Å; R397-R399 VanDerWaalsContact C-N 3.32Å; R397-R399 PolarHBondContact O-N 2.86Å; R397-E400 PolarHBondContact O-N 3.12Å; R397-I401 VanDerWaalsContact O-CG1 3.26Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.99Å |
| 398 | H | 80.1 | Confident | 74.8 | Confident | 127 Ų | 127 | 112.9 Ų | 112.9 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 179.4 | -102.5 | -67.8 | 0 | 0 | 0 | 112.4 | E394 Q396 L402 | E394-H398 PolarHBondContact O-N 3.28Å; Q396-H398 PolarHBondContact O-N 3.22Å; H398-L402 WeakPolarHBondContact O-CG 3.34Å; H398-L402 PolarHBondContact O-N 3.41Å |
| 399 | R | 88.1 | Confident | 77 | Confident | 140 Ų | 140 | 111.8 Ų | 111.8 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 172.1 | -168.3 | -176.4 | -62.8 | 132.4 | 0.7 | 111.7 | L395 Q396 R397 I401 L402 D403 | L395-R399 PolarHBondContact O-N 3.18Å; Q396-R399 PolarHBondContact O-N 3.16Å; R397-R399 VanDerWaalsContact C-N 3.32Å; R397-R399 PolarHBondContact O-N 2.86Å; R399-I401 VanDerWaalsContact C-N 3.29Å; R399-I401 PolarHBondContact O-N 3.17Å; R399-L402 WeakPolarHBondContact O-CB 3.39Å; R399-L402 PolarHBondContact O-N 3.36Å; R399-D403 PolarHBondContact O-N 3.37Å |
| 400 | E | 86.8 | Confident | 79 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 179.7 | -170.7 | -178.5 | -174.9 | 0 | 0 | 112.4 | Q396 R397 R404 | Q396-E400 WeakPolarHBondContact O-CB 3.4Å; Q396-E400 PolarHBondContact O-N 3.06Å; R397-E400 PolarHBondContact O-N 3.12Å; E400-R404 WeakPolarHBondContact O-CB 3.41Å; E400-R404 PolarHBondContact O-N 2.76Å; E400-R404 IonicContact OE1-NH1 2.79Å |
| 401 | I | 86.7 | Confident | 80.8 | Confident | 94 Ų | 94 | 114.5 Ų | 114.5 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 173.2 | -71 | 163.7 | 0 | 0 | 0 | 111.3 | R397 R399 R404 I405 | R397-I401 VanDerWaalsContact O-CG1 3.26Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.99Å; R399-I401 VanDerWaalsContact C-N 3.29Å; R399-I401 PolarHBondContact O-N 3.17Å; I401-R404 WeakPolarHBondContact O-CB 2.94Å; I401-R404 PolarHBondContact O-N 3.11Å; I401-I405 HydrophobicContact CG2-CD1 4.24Å; I401-I405 WeakPolarHBondContact O-CG1 3.38Å; I401-I405 PolarHBondContact O-N 3.35Å |
| 402 | L | 91 | Very high | 82.2 | Confident | 107 Ų | 107 | 111 Ų | 111 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.1 | -44.3 | 178.2 | -69.4 | 169.5 | 0 | 0 | 0 | 111.6 | H398 R399 R404 I405 V406 | H398-L402 WeakPolarHBondContact O-CG 3.34Å; H398-L402 PolarHBondContact O-N 3.41Å; R399-L402 WeakPolarHBondContact O-CB 3.39Å; R399-L402 PolarHBondContact O-N 3.36Å; L402-R404 VanDerWaalsContact C-N 3.27Å; L402-R404 PolarHBondContact O-N 2.68Å; L402-I405 PolarHBondContact O-N 3.32Å; L402-I405 VanDerWaalsContact O-N 3.11Å; L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 2.97Å |
| 403 | D | 91.4 | Very high | 83.5 | Confident | 99 Ų | 99 | 110.2 Ų | 110.2 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 174.4 | -70.1 | -31.5 | 0 | 0 | 0 | 111.2 | R399 I405 V406 E407 | R399-D403 PolarHBondContact O-N 3.37Å; D403-I405 VanDerWaalsContact C-N 3.33Å; D403-I405 PolarHBondContact O-N 2.78Å; D403-V406 PolarHBondContact O-N 2.88Å; D403-E407 WeakPolarHBondContact O-CB 3.34Å; D403-E407 PolarHBondContact O-N 3.3Å |
| 404 | R | 92.1 | Very high | 84.1 | Confident | 159 Ų | 159 | 112.1 Ų | 112.1 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.5 | -42 | 173.6 | -139.3 | 74 | 168 | -138.3 | -0.7 | 112.5 | E400 I401 L402 I408 | E400-R404 WeakPolarHBondContact O-CB 3.41Å; E400-R404 PolarHBondContact O-N 2.76Å; E400-R404 IonicContact OE1-NH1 2.79Å; I401-R404 WeakPolarHBondContact O-CB 2.94Å; I401-R404 PolarHBondContact O-N 3.11Å; L402-R404 VanDerWaalsContact C-N 3.27Å; L402-R404 PolarHBondContact O-N 2.68Å; R404-I408 WeakPolarHBondContact O-CB 3.45Å; R404-I408 WeakPolarHBondContact O-CD1 3.49Å; R404-I408 VanDerWaalsContact O-CG1 3.22Å; R404-I408 WeakPolarHBondContact O-CG1 3.22Å; R404-I408 PolarHBondContact O-N 3.22Å |
| 405 | I | 89.3 | Confident | 84.4 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 46% | 0.456 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 179.6 | -67.3 | 163.1 | 0 | 0 | 0 | 110.3 | I401 L402 D403 I408 E409 | I401-I405 HydrophobicContact CG2-CD1 4.24Å; I401-I405 WeakPolarHBondContact O-CG1 3.38Å; I401-I405 PolarHBondContact O-N 3.35Å; L402-I405 PolarHBondContact O-N 3.32Å; L402-I405 VanDerWaalsContact O-N 3.11Å; D403-I405 VanDerWaalsContact C-N 3.33Å; D403-I405 PolarHBondContact O-N 2.78Å; I405-I408 PolarHBondContact O-N 3.24Å; I405-E409 PolarHBondContact O-N 2.95Å |
| 406 | V | 90.6 | Very high | 83.3 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 58% | 0.582 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | L402 D403 E409 R410 | L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 2.97Å; D403-V406 PolarHBondContact O-N 2.88Å; V406-E409 PolarHBondContact O-N 3.35Å; V406-R410 WeakPolarHBondContact O-CB 3.43Å; V406-R410 PolarHBondContact O-N 3.09Å |
| 407 | E | 90.7 | Very high | 82.1 | Confident | 88 Ų | 88 | 110 Ų | 110 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.2 | -177.1 | 90.5 | -88.1 | 0 | 0 | 111.3 | D403 E409 R410 M411 | D403-E407 WeakPolarHBondContact O-CB 3.34Å; D403-E407 PolarHBondContact O-N 3.3Å; E407-E409 PolarHBondContact O-N 3.31Å; E407-R410 CarbonylContact O-C 3.6Å; E407-R410 WeakPolarHBondContact O-CB 3.28Å; E407-R410 PolarHBondContact O-N 2.93Å; E407-R410 VanDerWaalsContact O-N 3.15Å; E407-R410 IonicContact OE1-CZ 3.16Å; E407-R410 VanDerWaalsContact OE1-CZ 3.22Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 PolarHBondContact OE1-NE 3.18Å; E407-R410 IonicContact OE1-NH2 3.36Å; E407-R410 PolarHBondContact OE1-NH2 3.2Å; E407-M411 HydrophobicContact CG-CG 4.46Å; E407-M411 HydrophobicContact CG-SD 4.25Å; E407-M411 WeakPolarHBondContact O-CB 3.34Å; E407-M411 WeakPolarHBondContact O-CG 3.32Å; E407-M411 PolarHBondContact O-N 2.75Å |
| 408 | I | 86.7 | Confident | 80.6 | Confident | 100 Ų | 100 | 111.1 Ų | 111.1 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 176.1 | -72.4 | 163.4 | 0 | 0 | 0 | 110.5 | R404 I405 R410 M411 T412 | R404-I408 WeakPolarHBondContact O-CB 3.45Å; R404-I408 WeakPolarHBondContact O-CD1 3.49Å; R404-I408 VanDerWaalsContact O-CG1 3.22Å; R404-I408 WeakPolarHBondContact O-CG1 3.22Å; R404-I408 PolarHBondContact O-N 3.22Å; I405-I408 PolarHBondContact O-N 3.24Å; I408-R410 VanDerWaalsContact C-N 3.31Å; I408-R410 PolarHBondContact O-N 3.44Å; I408-M411 PolarHBondContact O-N 2.92Å; I408-T412 PolarHBondContact O-N 3.43Å; I408-T412 PolarHBondContact O-OG1 2.95Å; I408-T412 VanDerWaalsContact O-OG1 3.05Å |
| 409 | E | 89 | Confident | 78.7 | Confident | 103 Ų | 103 | 112.7 Ų | 112.7 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 174.2 | -80.7 | -158.5 | -169.9 | 0 | 0 | 112.5 | I405 V406 E407 T412 K413 | I405-E409 PolarHBondContact O-N 2.95Å; V406-E409 PolarHBondContact O-N 3.35Å; E407-E409 PolarHBondContact O-N 3.31Å; E409-T412 PolarHBondContact O-N 2.75Å; E409-K413 WeakPolarHBondContact O-CB 3.5Å; E409-K413 WeakPolarHBondContact O-CD 3.44Å; E409-K413 WeakPolarHBondContact O-CG 3.26Å; E409-K413 PolarHBondContact O-N 2.64Å; E409-K413 IonicContact OE2-NZ 3.15Å; E409-K413 PolarHBondContact OE2-NZ 3.02Å |
| 410 | R | 90.7 | Very high | 76.4 | Confident | 125 Ų | 125 | 112.2 Ų | 112.2 | 47% | 0.472 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 178.6 | -166.9 | -174.9 | 76.3 | 93.1 | -1.9 | 111.2 | V406 E407 I408 K413 Q414 | V406-R410 WeakPolarHBondContact O-CB 3.43Å; V406-R410 PolarHBondContact O-N 3.09Å; E407-R410 CarbonylContact O-C 3.6Å; E407-R410 WeakPolarHBondContact O-CB 3.28Å; E407-R410 PolarHBondContact O-N 2.93Å; E407-R410 VanDerWaalsContact O-N 3.15Å; E407-R410 IonicContact OE1-CZ 3.16Å; E407-R410 VanDerWaalsContact OE1-CZ 3.22Å; E407-R410 IonicContact OE1-NE 2.71Å; E407-R410 PolarHBondContact OE1-NE 3.18Å; E407-R410 IonicContact OE1-NH2 3.36Å; E407-R410 PolarHBondContact OE1-NH2 3.2Å; I408-R410 VanDerWaalsContact C-N 3.31Å; I408-R410 PolarHBondContact O-N 3.44Å; R410-K413 PolarHBondContact O-N 2.6Å; R410-Q414 WeakPolarHBondContact O-CB 3.28Å; R410-Q414 WeakPolarHBondContact O-CG 3.48Å; R410-Q414 PolarHBondContact O-N 3.25Å |
| 411 | M | 88.6 | Confident | 74.1 | Confident | 112 Ų | 112 | 114.3 Ų | 114.3 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.2 | -44.9 | 174.5 | -74.3 | -179.2 | 65.3 | 0 | 0 | 111.5 | E407 I408 Q414 A415 | E407-M411 HydrophobicContact CG-CG 4.46Å; E407-M411 HydrophobicContact CG-SD 4.25Å; E407-M411 WeakPolarHBondContact O-CB 3.34Å; E407-M411 WeakPolarHBondContact O-CG 3.32Å; E407-M411 PolarHBondContact O-N 2.75Å; I408-M411 PolarHBondContact O-N 2.92Å; M411-Q414 PolarHBondContact O-N 3.1Å; M411-A415 WeakPolarHBondContact O-CB 3.12Å; M411-A415 PolarHBondContact O-N 3.49Å |
| 412 | T | 79 | Confident | 71.7 | Confident | 81 Ų | 81 | 114.7 Ų | 114.7 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.8 | -46.7 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | I408 E409 Q414 A415 C416 | I408-T412 PolarHBondContact O-N 3.43Å; I408-T412 PolarHBondContact O-OG1 2.95Å; I408-T412 VanDerWaalsContact O-OG1 3.05Å; E409-T412 PolarHBondContact O-N 2.75Å; T412-Q414 VanDerWaalsContact C-N 3.33Å; T412-Q414 PolarHBondContact O-N 3.06Å; T412-A415 PolarHBondContact O-N 2.79Å; T412-A415 VanDerWaalsContact O-N 3.17Å; T412-C416 PolarHBondContact O-N 3.28Å; T412-C416 PolarHBondContact O-SG 3.09Å; T412-C416 VanDerWaalsContact O-SG 3.34Å |
| 413 | K | 79.1 | Confident | 68.9 | Low | 129 Ų | 129 | 116 Ų | 116 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.9 | -39 | 176.3 | -70.7 | 162 | -170.9 | 166.4 | 0 | 112 | E409 R410 K417 | E409-K413 WeakPolarHBondContact O-CB 3.5Å; E409-K413 WeakPolarHBondContact O-CD 3.44Å; E409-K413 WeakPolarHBondContact O-CG 3.26Å; E409-K413 PolarHBondContact O-N 2.64Å; E409-K413 IonicContact OE2-NZ 3.15Å; E409-K413 PolarHBondContact OE2-NZ 3.02Å; R410-K413 PolarHBondContact O-N 2.6Å; K413-K417 PolarHBondContact O-N 2.8Å |
| 414 | Q | 78.2 | Confident | 66.2 | Low | 85 Ų | 85 | 114.4 Ų | 114.4 | 40% | 0.397 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.5 | -34 | 173.5 | -77.7 | -162.5 | -13.7 | 0 | 0 | 113.9 | R410 M411 T412 K417 R418 | R410-Q414 WeakPolarHBondContact O-CB 3.28Å; R410-Q414 WeakPolarHBondContact O-CG 3.48Å; R410-Q414 PolarHBondContact O-N 3.25Å; M411-Q414 PolarHBondContact O-N 3.1Å; T412-Q414 VanDerWaalsContact C-N 3.33Å; T412-Q414 PolarHBondContact O-N 3.06Å; Q414-K417 PolarHBondContact O-N 3.21Å; Q414-R418 PolarHBondContact O-N 3.1Å |
| 415 | A | 66.4 | Low | 63.2 | Low | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.3 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M411 T412 K417 R418 | M411-A415 WeakPolarHBondContact O-CB 3.12Å; M411-A415 PolarHBondContact O-N 3.49Å; T412-A415 PolarHBondContact O-N 2.79Å; T412-A415 VanDerWaalsContact O-N 3.17Å; A415-K417 PolarHBondContact O-N 3.34Å; A415-R418 PolarHBondContact O-N 2.82Å; A415-R418 VanDerWaalsContact O-N 3.1Å |
| 416 | C | 47.5 | Very low | 60.5 | Low | 90 Ų | 90 | 114.2 Ų | 114.2 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57 | -38.9 | 172.3 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | T412 R418 | T412-C416 PolarHBondContact O-N 3.28Å; T412-C416 PolarHBondContact O-SG 3.09Å; T412-C416 VanDerWaalsContact O-SG 3.34Å; C416-R418 VanDerWaalsContact C-N 3.3Å; C416-R418 PolarHBondContact O-N 2.85Å |
| 417 | K | 53.6 | Low | 57.6 | Low | 166 Ų | 166 | 116.6 Ų | 116.6 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 0.6 | 179.1 | -142.9 | -177.9 | -175.2 | -175.5 | 0 | 115.1 | K413 Q414 A415 | K413-K417 PolarHBondContact O-N 2.8Å; Q414-K417 PolarHBondContact O-N 3.21Å; A415-K417 PolarHBondContact O-N 3.34Å |
| 418 | R | 48 | Very low | 54.7 | Low | 183 Ų | 183 | 116.5 Ų | 116.5 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -1.7 | 173.2 | -85.4 | -170.1 | 174.3 | 100.5 | -4.3 | 113.9 | Q414 A415 C416 | Q414-R418 PolarHBondContact O-N 3.1Å; A415-R418 PolarHBondContact O-N 2.82Å; A415-R418 VanDerWaalsContact O-N 3.1Å; C416-R418 VanDerWaalsContact C-N 3.3Å; C416-R418 PolarHBondContact O-N 2.85Å |
| 419 | M | 40.2 | Very low | 52.1 | Low | 159 Ų | 159 | 120.1 Ų | 120.1 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | trans | -85.5 | -9.9 | 174 | -59.8 | -143 | -54.9 | 0 | 0 | 113.6 | I421 | M419-I421 PolarHBondContact O-N 2.84Š| ||
| 420 | D | 38.1 | Very low | 49.2 | Very low | 130 Ų | 130 | 123 Ų | 123 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | trans | -75.3 | 65.4 | 167.9 | -61.5 | -34.9 | 0 | 0 | 0 | 110.2 | S422 | D420-S422 VanDerWaalsContact C-N 3.34Å; D420-S422 PolarHBondContact O-N 3.47Å | ||
| 421 | I | 39.4 | Very low | 46.4 | Very low | 148 Ų | 148 | 120.4 Ų | 120.4 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -71.5 | 94.7 | 172.9 | -61.7 | -178.9 | 0 | 0 | 0 | 107.8 | M419 V423 | M419-I421 PolarHBondContact O-N 2.84Å; I421-V423 PolarHBondContact O-N 2.92Å | ||
| 422 | S | 35.1 | Very low | 43.6 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | trans | -51.4 | 129.9 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | D420 G424 | D420-S422 VanDerWaalsContact C-N 3.34Å; D420-S422 PolarHBondContact O-N 3.47Å; S422-G424 VanDerWaalsContact C-N 3.34Å; S422-G424 PolarHBondContact O-N 2.98Å | ||
| 423 | V | 34.2 | Very low | 41.1 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -71.6 | 93.3 | 170.9 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | I421 T425 | I421-V423 PolarHBondContact O-N 2.92Å; V423-T425 PolarHBondContact O-N 2.82Å; V423-T425 VanDerWaalsContact O-N 3.16Å | ||
| 424 | G | 34.2 | Very low | 38.9 | Very low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | -64.1 | 112.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S422 S426 | S422-G424 VanDerWaalsContact C-N 3.34Å; S422-G424 PolarHBondContact O-N 2.98Å; G424-S426 PolarHBondContact O-N 3.29Å | ||
| 425 | T | 28.5 | Very low | 36.6 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -66.7 | 111.6 | 169.1 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | V423 | V423-T425 PolarHBondContact O-N 2.82Å; V423-T425 VanDerWaalsContact O-N 3.16Å | ||
| 426 | S | 33.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -108.6 | 113.3 | 170 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | G424 | G424-S426 PolarHBondContact O-N 3.29Š| ||
| 427 | D | 28.7 | Very low | 33.9 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -74 | 156.9 | -170.9 | -69.1 | -66.4 | 0 | 0 | 0 | 115.4 | ||||
| 428 | A | 29.6 | Very low | 32.7 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 47.5 | 88.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 429 | L | 32 | Very low | 31.8 | Very low | 175 Ų | 175 | 125 Ų | 125 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -121.8 | 91.2 | 147.4 | -102.7 | 168.7 | 0 | 0 | 0 | 110.1 | G431 | L429-G431 PolarHBondContact O-N 2.9Š| ||
| 430 | N | 29.3 | Very low | 31.3 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -74.4 | 117.8 | 171.4 | -74.2 | -37.9 | 0 | 0 | 0 | 109.5 | ||||
| 431 | G | 30.4 | Very low | 30.8 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -158.9 | 86 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | L429 | L429-G431 PolarHBondContact O-N 2.9Š| ||
| 432 | A | 29.5 | Very low | 30 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | 25.3 | 106.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 433 | T | 27.1 | Very low | 29.7 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | 31.1 | 115.1 | 126.9 | 55.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 434 | H | 32.6 | Very low | 29.4 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | 172.3 | 146.9 | 98.4 | -87.2 | -64.4 | 0 | 0 | 0 | 114.5 | |||||
| 435 | S | 29.5 | Very low | 29.2 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | 51.5 | 114.6 | 151 | 60 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 436 | N | 27.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | 62.4 | 105.5 | 124.6 | -51.3 | -9.1 | 0 | 0 | 0 | 121.1 | |||||
| 437 | S | 30.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | -158.9 | 154.5 | 118 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 438 | T | 28.9 | Very low | 29.2 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 124.8 | -167.8 | -56 | 0 | 0 | 0 | 0 | 114.3 | ||
| 439 | T | 28.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125.7 | 164.9 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 440 | Q | 29.5 | Very low | 29 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 128.6 | 168.3 | -67.2 | -167.3 | 13.6 | 0 | 0 | 111.3 | ||
| 441 | T | 27.4 | Very low | 29.1 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -91.9 | 113.7 | -174.7 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | S443 | T441-S443 PolarHBondContact O-N 3.02Š| ||
| 442 | Y | 23.4 | Very low | 28.9 | Very low | 219 Ų | 219 | 145.2 Ų | 145.2 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -79.3 | 104.7 | 171.5 | -79.8 | -88.3 | 0 | 0 | 0 | 111.4 | ||||
| 443 | S | 29.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 150.7 | 170.8 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | T441 | T441-S443 PolarHBondContact O-N 3.02Š|
| 444 | R | 26.3 | Very low | 28.9 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 145.8 | -179.8 | -82.6 | 178.6 | 166.9 | 168.3 | -4.4 | 111.9 | ||
| 445 | P | 30 | Very low | 28.6 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 141.5 | 175.4 | 30.6 | -34.9 | 0 | 0 | 0 | 111.6 | ||
| 446 | I | 31.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 135.6 | 174.3 | -66.8 | 171.7 | 0 | 0 | 0 | 109 | ||
| 447 | L | 29 | Very low | 28.6 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.6 | 176 | -148.6 | 98.8 | 0 | 0 | 0 | 109.7 | ||
| 448 | K | 32 | Very low | 28.6 | Very low | 200 Ų | 200 | 152.6 Ų | 152.6 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 124.9 | 175.6 | -70.1 | -173 | 177.1 | -175.9 | 0 | 110.5 | ||
| 449 | D | 29.6 | Very low | 28.4 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 139.6 | 173.8 | -64.6 | -56 | 0 | 0 | 0 | 111.5 | ||
| 450 | A | 26.8 | Very low | 28.3 | Very low | 105 Ų | 105 | 155 Ų | 155 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -92 | 108.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 451 | Q | 31.8 | Very low | 28.1 | Very low | 168 Ų | 168 | 155 Ų | 155 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -98.6 | 115.2 | 169.7 | -69.1 | -170.2 | -7.9 | 0 | 0 | 110.4 | Q453 | Q451-Q453 PolarHBondContact O-N 2.81Š| ||
| 452 | T | 25.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -71.6 | 119.1 | 168.3 | 43.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 453 | Q | 28.9 | Very low | 28.4 | Very low | 176 Ų | 176 | 151.9 Ų | 151.9 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -118.4 | 145.6 | 160.8 | -68 | -167.6 | 0.6 | 0 | 0 | 109.6 | Q451 | Q451-Q453 PolarHBondContact O-N 2.81Š| ||
| 454 | T | 27.9 | Very low | 28.3 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -84.2 | 133.6 | -170.1 | 43.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 455 | L | 25.7 | Very low | 28.3 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 130.1 | 175.3 | 176 | 156.2 | 0 | 0 | 0 | 111.8 | E457 | L455-E457 HydrophobicContact CD1-CG 4.42Å; L455-E457 HydrophobicContact CD2-CG 3.76Å; L455-E457 HydrophobicContact CG-CG 3.98Å | ||
| 456 | L | 30.4 | Very low | 27.9 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -140.3 | 113.8 | 160.9 | -91.2 | 172.7 | 0 | 0 | 0 | 107.6 | ||||
| 457 | E | 28.2 | Very low | 27.5 | Very low | 150 Ų | 150 | 152 Ų | 152 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -99.6 | 121.7 | -174.8 | -66.1 | 167 | 163.1 | 0 | 0 | 110.7 | L455 | L455-E457 HydrophobicContact CD1-CG 4.42Å; L455-E457 HydrophobicContact CD2-CG 3.76Å; L455-E457 HydrophobicContact CG-CG 3.98Å | ||
| 458 | T | 28.9 | Very low | 27.5 | Very low | 137 Ų | 137 | 153.9 Ų | 153.9 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -148.6 | 70.1 | 162.1 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 459 | D | 24.4 | Very low | 27 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -80 | 119.1 | 171.7 | -75.8 | -47.1 | 0 | 0 | 0 | 111.2 | ||||
| 460 | V | 28.3 | Very low | 26.9 | Very low | 138 Ų | 138 | 154 Ų | 154 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -133.6 | 121.1 | 164.6 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | T462 | V460-T462 PolarHBondContact O-N 2.74Š| ||
| 461 | N | 24 | Very low | 27.1 | Very low | 158 Ų | 158 | 154 Ų | 154 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -54.1 | 135.1 | 178.3 | -69.7 | -43.7 | 0 | 0 | 0 | 112.8 | ||||
| 462 | T | 32.1 | Very low | 26.9 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -145.5 | 135.8 | 140.4 | -65 | 0 | 0 | 0 | 0 | 108.6 | V460 | V460-T462 PolarHBondContact O-N 2.74Š| ||
| 463 | E | 24.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | trans | -88.6 | 177.5 | -171.7 | -46.9 | 161.2 | 93.6 | 0 | 0 | 113.3 | ||||
| 464 | K | 28.5 | Very low | 27.2 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 87.3 | 130.7 | 148.7 | -69.6 | 146.7 | -178.1 | 153.9 | 0 | 119.6 | ||||
| 465 | K | 27.2 | Very low | 27.3 | Very low | 184 Ų | 184 | 147 Ų | 147 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | 96.1 | 71.3 | 141.3 | -147 | 174.3 | -175.3 | -176 | 0 | 119.3 | T467 | K465-T467 PolarHBondContact O-N 3.33Š| ||
| 466 | L | 20 | Very low | 27.5 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -30.7 | 116.6 | 136.7 | 178.9 | 97 | 0 | 0 | 0 | 112.6 | ||||
| 467 | T | 24.5 | Very low | 27.5 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | trans | -176.3 | 166.7 | 144.3 | 21.6 | 0 | 0 | 0 | 0 | 111.8 | K465 | K465-T467 PolarHBondContact O-N 3.33Š| ||
| 468 | Q | 27.7 | Very low | 27.7 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | 72.1 | 109.2 | 171.4 | -68.5 | -175.4 | -70.4 | 0 | 0 | 117.8 | ||||
| 469 | I | 23.3 | Very low | 27.7 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -91.2 | 142.1 | 167.8 | -63.4 | 154.6 | 0 | 0 | 0 | 107.4 | ||||
| 470 | E | 26 | Very low | 27.6 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -121.4 | 154.2 | 156 | -94.5 | -161.1 | 127.5 | 0 | 0 | 110.8 | ||||
| 471 | P | 32.3 | Very low | 27.7 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -93.3 | 143.5 | -162.3 | 35.3 | -35 | 0 | 0 | 0 | 114.2 | ||||
| 472 | L | 27.7 | Very low | 27.8 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 96% | 0.963 | 81% | 0.812 | S | S | * | * | trans | -130.8 | 87.4 | 163.8 | -94.6 | 164.6 | 0 | 0 | 0 | 109.7 | ||||
| 473 | S | 28 | Very low | 27.6 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -118.6 | 87.9 | 176.7 | 60.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 474 | A | 32 | Very low | 27.7 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -137.6 | 87.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 475 | G | 29.4 | Very low | 27.6 | Very low | 83 Ų | 83 | 144 Ų | 144 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -77.1 | 134.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 476 | A | 31.3 | Very low | 27.5 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -149.4 | 60.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | S478 | A476-S478 PolarHBondContact O-N 2.91Š| ||
| 477 | D | 29.7 | Very low | 28.1 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -59.7 | 117.7 | 171.8 | -72.5 | -48.2 | 0 | 0 | 0 | 110.5 | ||||
| 478 | S | 31.8 | Very low | 28.3 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | -136.8 | 102.3 | 172.8 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | A476 W480 | A476-S478 PolarHBondContact O-N 2.91Å; S478-W480 PolarHBondContact O-N 2.76Å | ||
| 479 | Q | 28.8 | Very low | 28.4 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -60.2 | 132.5 | 176.9 | -66.8 | 175.9 | -35.8 | 0 | 0 | 111 | K481 | Q479-K481 PolarHBondContact O-N 2.63Š| ||
| 480 | W | 23.3 | Very low | 28.7 | Very low | 260 Ų | 260 | 131.8 Ų | 131.8 | 99% | 0.985 | 81% | 0.807 | S | S | * | * | trans | -67.1 | 99.1 | 166.7 | -65 | -7.4 | 0 | 0 | 0 | 109.8 | S478 | S478-W480 PolarHBondContact O-N 2.76Š| ||
| 481 | K | 30.3 | Very low | 28.9 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 130.3 | 172.9 | -72.8 | -175.1 | 175.9 | 179.7 | 0 | 110.2 | Q479 V483 | Q479-K481 PolarHBondContact O-N 2.63Å; K481-V483 PolarHBondContact O-N 2.89Å | ||
| 482 | S | 26.4 | Very low | 28.8 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -61.6 | 129.6 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | A484 | S482-A484 PolarHBondContact O-N 2.69Š| ||
| 483 | V | 26.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -89.6 | 91.3 | 178.4 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | K481 V485 | K481-V483 PolarHBondContact O-N 2.89Å; V483-V485 HydrophobicContact CG1-CG2 3.89Å | ||
| 484 | A | 26.4 | Very low | 28.6 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -105.3 | 91.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109 | S482 | S482-A484 PolarHBondContact O-N 2.69Š| ||
| 485 | V | 26.3 | Very low | 28.4 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 81% | 0.809 | S | S | * | * | trans | -85.5 | 116.1 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | V483 | V483-V485 HydrophobicContact CG1-CG2 3.89Š| ||
| 486 | G | 26.3 | Very low | 28.3 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -75.6 | 135.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 487 | T | 32 | Very low | 28.2 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -92 | 96.1 | 164.7 | 52.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 488 | S | 28.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 141.2 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 489 | D | 29.5 | Very low | 28 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 51.6 | 99.2 | 142.6 | -48.4 | -29.1 | 0 | 0 | 0 | 118.5 | ||||
| 490 | A | 30 | Very low | 28.3 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -91.8 | 108.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A492 | A490-A492 PolarHBondContact O-N 2.89Å; A490-A492 VanDerWaalsContact O-N 3.09Å | ||
| 491 | E | 30 | Very low | 28.6 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | -71.2 | 100.7 | 178 | -65.6 | -168.6 | 131.1 | 0 | 0 | 111.7 | Y493 | E491-Y493 PolarHBondContact O-N 3.34Š| ||
| 492 | A | 30 | Very low | 28.4 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -82.2 | 109.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A490 | A490-A492 PolarHBondContact O-N 2.89Å; A490-A492 VanDerWaalsContact O-N 3.09Å | ||
| 493 | Y | 27.4 | Very low | 28.7 | Very low | 211 Ų | 211 | 136 Ų | 136 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -66 | 133.8 | 179.2 | -79 | -90.7 | 0 | 0 | 0 | 112.6 | E491 | E491-Y493 PolarHBondContact O-N 3.34Š| ||
| 494 | K | 25.2 | Very low | 28.7 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -67.3 | 132.5 | 173.9 | -67.2 | 175.6 | 177.1 | 175.9 | 0 | 111.3 | ||||
| 495 | V | 28.2 | Very low | 29 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -125.7 | 118.1 | 144.8 | -179 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 496 | A | 26.2 | Very low | 29 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -102 | 131.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 497 | A | 30.3 | Very low | 29 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -129.4 | 98.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D499 | A497-D499 PolarHBondContact O-N 2.91Š| ||
| 498 | T | 31.5 | Very low | 28.7 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 20.6 | 91.3 | 150.7 | 54.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 499 | D | 25.4 | Very low | 28.5 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | 18.3 | 116.7 | 117 | -169.7 | 9.4 | 0 | 0 | 0 | 117.7 | A497 | A497-D499 PolarHBondContact O-N 2.91Š| |||
| 500 | T | 33.7 | Very low | 28.5 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -148.7 | 106.3 | 162.6 | -10.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 501 | Q | 31.2 | Very low | 28.4 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | 60.3 | 112.6 | 143.9 | -68 | 177.8 | -16.9 | 0 | 0 | 120.4 | ||||
| 502 | E | 25.1 | Very low | 28.4 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -39 | 134.7 | 159.2 | -51.6 | 165.5 | 139.6 | 0 | 0 | 115 | ||||
| 503 | L | 33.5 | Very low | 28.4 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -148 | 119.8 | 143.9 | -84.5 | -172.5 | 0 | 0 | 0 | 110.8 | ||||
| 504 | E | 25.8 | Very low | 28.6 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -75.3 | 137.5 | 166.4 | -97.4 | -81.3 | 137.2 | 0 | 0 | 111 | T506 | E504-T506 PolarHBondContact OE2-N 3.23Å; E504-T506 PolarHBondContact OE2-OG1 3.49Å | ||
| 505 | P | 32.4 | Very low | 28.9 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -123.5 | 93.7 | 146.4 | 34 | -22.9 | 0 | 0 | 0 | 110.6 | ||||
| 506 | T | 26.5 | Very low | 29 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -68.1 | 144.2 | 176.5 | -35.7 | 0 | 0 | 0 | 0 | 111.8 | E504 | E504-T506 PolarHBondContact OE2-N 3.23Å; E504-T506 PolarHBondContact OE2-OG1 3.49Å | ||
| 507 | S | 25.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 71.9 | 155.5 | 167.9 | 89.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 508 | A | 26.8 | Very low | 29.3 | Very low | 78 Ų | 78 | 143 Ų | 143 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | cis | -162.4 | 159.4 | -22.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 509 | R | 25.1 | Very low | 29.7 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | 31.8 | 107.7 | 152.9 | -59.9 | 172.3 | -175.3 | 161.7 | 1.5 | 117.6 | ||||
| 510 | F | 28.1 | Very low | 30.3 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | -178.4 | 115.1 | 110.3 | -92.6 | -62.8 | 0 | 0 | 0 | 110.4 | |||||
| 511 | P | 28.8 | Very low | 30.8 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -96.1 | 91.6 | 179.6 | 35 | -30.5 | 0 | 0 | 0 | 111.7 | ||||
| 512 | E | 28.9 | Very low | 31.1 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | -101.4 | 151.7 | 170.6 | -65.4 | -159.4 | 155.6 | 0 | 0 | 112.8 | ||||
| 513 | N | 30.6 | Very low | 32.1 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | 61.6 | 49.6 | 158 | -56.6 | -38 | 0 | 0 | 0 | 118.6 | L515 | N513-L515 PolarHBondContact O-N 3.48Å; N513-L515 VanDerWaalsContact O-N 3.16Å | ||
| 514 | V | 32.3 | Very low | 32.9 | Very low | 142 Ų | 142 | 143 Ų | 143 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -71.5 | 103.4 | 156 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 515 | L | 31 | Very low | 33.9 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -62.8 | 135.4 | -178.5 | -166.4 | 70.7 | 0 | 0 | 0 | 112.1 | N513 S517 | N513-L515 PolarHBondContact O-N 3.48Å; N513-L515 VanDerWaalsContact O-N 3.16Å; L515-S517 PolarHBondContact O-N 2.87Å | ||
| 516 | F | 31 | Very low | 34.3 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 89% | 0.886 | 73% | 0.731 | S | S | * | * | trans | -67 | 94 | -173.4 | -110.4 | -106.2 | 0 | 0 | 0 | 113.1 | G518 | F516-G518 PolarHBondContact O-N 2.97Š| ||
| 517 | S | 32.7 | Very low | 35.2 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | trans | -75.5 | 55.8 | 174.4 | -157.9 | 0 | 0 | 0 | 0 | 112.6 | L515 | L515-S517 PolarHBondContact O-N 2.87Š| ||
| 518 | G | 30.1 | Very low | 35.9 | Very low | 47 Ų | 47 | 142.8 Ų | 142.8 | 49% | 0.485 | 72% | 0.719 | S | S | . | * | trans | -81.4 | -14.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | F516 R520 | F516-G518 PolarHBondContact O-N 2.97Å; G518-R520 PolarHBondContact O-N 3.49Å | ||
| 519 | S | 38.1 | Very low | 36.6 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -16 | -164.4 | 55.2 | 0 | 0 | 0 | 0 | 116 | K521 | S519-K521 PolarHBondContact O-N 3.37Š|
| 520 | R | 39.2 | Very low | 37.2 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -35.3 | -174 | -59.2 | -170.9 | -171.4 | -164.3 | 1.9 | 113.6 | G518 F522 R523 | G518-R520 PolarHBondContact O-N 3.49Å; R520-F522 VanDerWaalsContact C-N 3.26Å; R520-F522 PolarHBondContact O-N 3.15Å; R520-F522 VanDerWaalsContact O-N 3.1Å; R520-R523 PolarHBondContact O-N 3.48Å |
| 521 | K | 43.1 | Very low | 38 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 74% | 0.735 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.7 | -17.3 | -168.5 | -66.6 | -170.3 | 177.3 | -176.8 | 0 | 115.7 | S519 | S519-K521 PolarHBondContact O-N 3.37Å |
| 522 | F | 38.4 | Very low | 38.8 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -78.3 | -24.8 | 178.7 | -86 | -81.2 | 0 | 0 | 0 | 114 | R520 | R520-F522 VanDerWaalsContact C-N 3.26Å; R520-F522 PolarHBondContact O-N 3.15Å; R520-F522 VanDerWaalsContact O-N 3.1Å |
| 523 | R | 45.7 | Very low | 39.5 | Very low | 211 Ų | 211 | 134.8 Ų | 134.8 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -74 | -33 | 177.2 | -61.3 | -174.4 | 79.6 | 141.1 | -0.3 | 111.6 | R520 L525 H526 S527 | R520-R523 PolarHBondContact O-N 3.48Å; R523-L525 PolarHBondContact O-N 2.79Å; R523-H526 PolarHBondContact O-N 2.79Å; R523-S527 PolarHBondContact O-N 3.05Å; R523-S527 VanDerWaalsContact O-N 3.14Å |
| 524 | D | 49.8 | Very low | 40 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 54% | 0.54 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -74.4 | -21.7 | -178.4 | -60.2 | -28.5 | 0 | 0 | 0 | 114.2 | S527 K528 | D524-S527 WeakPolarHBondContact CA-OG 3.18Å; D524-S527 PolarHBondContact O-OG 2.88Å; D524-S527 VanDerWaalsContact O-OG 3.12Å; D524-K528 PolarHBondContact O-N 3.26Å |
| 525 | L | 48.2 | Very low | 40.9 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.6 | -40.5 | 169.2 | -107.9 | 78.6 | 0 | 0 | 0 | 111.5 | R523 K528 A529 | R523-L525 PolarHBondContact O-N 2.79Å; L525-K528 PolarHBondContact O-N 2.88Å; L525-A529 PolarHBondContact O-N 3.42Å |
| 526 | H | 39.4 | Very low | 41.8 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 61% | 0.611 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.3 | -35 | -179.7 | -97.3 | -82.7 | 0 | 0 | 0 | 113 | R523 A529 F530 | R523-H526 PolarHBondContact O-N 2.79Å; H526-A529 PolarHBondContact O-N 3.47Å; H526-F530 PolarHBondContact O-N 2.95Å |
| 527 | S | 46.3 | Very low | 43.1 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 49% | 0.49 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63.8 | -41.7 | 172.2 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | R523 D524 F530 A531 | R523-S527 PolarHBondContact O-N 3.05Å; R523-S527 VanDerWaalsContact O-N 3.14Å; D524-S527 WeakPolarHBondContact CA-OG 3.18Å; D524-S527 PolarHBondContact O-OG 2.88Å; D524-S527 VanDerWaalsContact O-OG 3.12Å; S527-F530 PolarHBondContact O-N 3.37Å; S527-A531 WeakPolarHBondContact O-CB 3.13Å; S527-A531 PolarHBondContact O-N 3.14Å |
| 528 | K | 39.9 | Very low | 45.2 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.1 | -30.6 | 174.3 | -85.6 | -174.9 | 172.5 | 178.7 | 0 | 114.3 | D524 L525 A531 L532 | D524-K528 PolarHBondContact O-N 3.26Å; L525-K528 PolarHBondContact O-N 2.88Å; K528-A531 PolarHBondContact O-N 2.85Å; K528-L532 PolarHBondContact O-N 2.83Å |
| 529 | A | 41.3 | Very low | 47.4 | Very low | 55 Ų | 55 | 124 Ų | 124 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.7 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L525 H526 | L525-A529 PolarHBondContact O-N 3.42Å; H526-A529 PolarHBondContact O-N 3.47Å |
| 530 | F | 38.6 | Very low | 49.5 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.9 | -32.5 | 175.8 | -84.1 | -84.4 | 0 | 0 | 0 | 113.4 | H526 S527 L532 F533 | H526-F530 PolarHBondContact O-N 2.95Å; S527-F530 PolarHBondContact O-N 3.37Å; F530-L532 PolarHBondContact O-N 2.94Å; F530-L532 VanDerWaalsContact O-N 3.11Å; F530-F533 CarbonylContact O-C 3.55Å; F530-F533 PolarHBondContact O-N 3.32Å |
| 531 | A | 45.2 | Very low | 51.6 | Low | 65 Ų | 65 | 116.6 Ų | 116.6 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.1 | -8.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S527 K528 S534 | S527-A531 WeakPolarHBondContact O-CB 3.13Å; S527-A531 PolarHBondContact O-N 3.14Å; K528-A531 PolarHBondContact O-N 2.85Å; A531-S534 PolarHBondContact O-OG 2.92Å |
| 532 | L | 45.7 | Very low | 53.2 | Low | 154 Ų | 154 | 115.1 Ų | 115.1 | 81% | 0.806 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -0.1 | 170.1 | -104.4 | 166.4 | 0 | 0 | 0 | 113.7 | K528 F530 | K528-L532 PolarHBondContact O-N 2.83Å; F530-L532 PolarHBondContact O-N 2.94Å; F530-L532 VanDerWaalsContact O-N 3.11Å |
| 533 | F | 43.3 | Very low | 55.3 | Low | 177 Ų | 177 | 111.5 Ų | 111.5 | 78% | 0.776 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -120.3 | 38.4 | 170.3 | -75.7 | -81.1 | 0 | 0 | 0 | 111.3 | F530 | F530-F533 CarbonylContact O-C 3.55Å; F530-F533 PolarHBondContact O-N 3.32Å |
| 534 | S | 41.4 | Very low | 57.5 | Low | 65 Ų | 65 | 108.9 Ų | 108.9 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | trans | -54.5 | 150.3 | 165.8 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | A531 E536 | A531-S534 PolarHBondContact O-OG 2.92Å; S534-E536 VanDerWaalsContact CB-OE2 3.27Å; S534-E536 WeakPolarHBondContact CB-OE2 3.27Å; S534-E536 PolarHBondContact O-N 2.73Å; S534-E536 VanDerWaalsContact O-N 3.11Å | ||
| 535 | A | 50.8 | Low | 59.3 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -14.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D537 | A535-D537 VanDerWaalsContact C-N 3.3Å; A535-D537 PolarHBondContact O-N 2.85Å |
| 536 | E | 50 | Low | 61.1 | Low | 148 Ų | 148 | 109.1 Ų | 109.1 | 69% | 0.692 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 24.3 | -175.2 | -55.5 | 70.7 | -153.5 | 0 | 0 | 113.5 | S534 D538 | S534-E536 VanDerWaalsContact CB-OE2 3.27Å; S534-E536 WeakPolarHBondContact CB-OE2 3.27Å; S534-E536 PolarHBondContact O-N 2.73Å; S534-E536 VanDerWaalsContact O-N 3.11Å; E536-D538 PolarHBondContact O-N 2.9Å |
| 537 | D | 58.1 | Low | 63.7 | Low | 43 Ų | 43 | 105.6 Ų | 105.6 | 23% | 0.23 | 57% | 0.566 | C | S | . | * | trans | -71.7 | 77.7 | 168.9 | -176 | 42.7 | 0 | 0 | 0 | 110.8 | A535 R542 R545 | A535-D537 VanDerWaalsContact C-N 3.3Å; A535-D537 PolarHBondContact O-N 2.85Å; D537-R542 WeakPolarHBondContact OD2-CD 3.03Å; D537-R542 WeakPolarHBondContact OD2-CG 3.44Å; D537-R542 IonicContact OD2-CZ 3.16Å; D537-R542 IonicContact OD2-NE 2.82Å; D537-R545 IonicContact OD1-CZ 3.24Å; D537-R545 IonicContact OD1-NH1 2.91Å; D537-R545 PolarHBondContact OD1-NH1 3.3Å; D537-R545 IonicContact OD1-NH2 2.69Å; D537-R545 PolarHBondContact OD1-NH2 3.5Å; D537-R545 IonicContact OD2-CZ 3.66Å; D537-R545 IonicContact OD2-NH1 3.87Å; D537-R545 PolarHBondContact OD2-NH1 2.94Å; D537-R545 IonicContact OD2-NH2 3.94Å | ||
| 538 | D | 77.3 | Confident | 66 | Low | 112 Ų | 112 | 110.6 Ų | 110.6 | 60% | 0.599 | 57% | 0.574 | S | S | * | * | trans | -40.8 | 141.9 | -177.9 | -92.9 | -36.2 | 0 | 0 | 0 | 113.4 | E536 A540 S541 R542 | E536-D538 PolarHBondContact O-N 2.9Å; D538-A540 PolarHBondContact O-N 2.91Å; D538-S541 WeakPolarHBondContact O-CA 3.12Å; D538-S541 WeakPolarHBondContact O-CB 3.43Å; D538-S541 PolarHBondContact O-N 3.47Å; D538-R542 PolarHBondContact O-N 2.84Å | ||
| 539 | S | 75.8 | Confident | 68.5 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -49.6 | -38.3 | 175.6 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | R542 E543 | S539-R542 PolarHBondContact O-N 2.78Å; S539-E543 VanDerWaalsContact O-CB 3.23Å; S539-E543 WeakPolarHBondContact O-CB 3.32Å; S539-E543 PolarHBondContact O-N 2.96Å |
| 540 | A | 81.1 | Confident | 70.9 | Confident | 76 Ų | 76 | 111 Ų | 111 | 63% | 0.628 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D538 R542 E543 Y544 | D538-A540 PolarHBondContact O-N 2.91Å; A540-R542 VanDerWaalsContact C-N 3.31Å; A540-R542 PolarHBondContact O-N 3.25Å; A540-E543 PolarHBondContact O-N 3.44Å; A540-Y544 VanDerWaalsContact O-CB 3.28Å; A540-Y544 WeakPolarHBondContact O-CB 3.29Å; A540-Y544 PolarHBondContact O-N 2.96Å |
| 541 | S | 83.6 | Confident | 73.5 | Confident | 57 Ų | 57 | 105 Ų | 105 | 40% | 0.399 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 175.3 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | D538 R545 | D538-S541 WeakPolarHBondContact O-CA 3.12Å; D538-S541 WeakPolarHBondContact O-CB 3.43Å; D538-S541 PolarHBondContact O-N 3.47Å; S541-R545 WeakPolarHBondContact O-CB 3.37Å; S541-R545 PolarHBondContact O-N 2.92Å |
| 542 | R | 76.9 | Confident | 75.8 | Confident | 138 Ų | 138 | 105 Ų | 105 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71 | -39.7 | 179 | -143.6 | 162.8 | -172 | 155.6 | 1.1 | 112.2 | D537 D538 S539 A540 K546 | D537-R542 WeakPolarHBondContact OD2-CD 3.03Å; D537-R542 WeakPolarHBondContact OD2-CG 3.44Å; D537-R542 IonicContact OD2-CZ 3.16Å; D537-R542 IonicContact OD2-NE 2.82Å; D538-R542 PolarHBondContact O-N 2.84Å; S539-R542 PolarHBondContact O-N 2.78Å; A540-R542 VanDerWaalsContact C-N 3.31Å; A540-R542 PolarHBondContact O-N 3.25Å; R542-K546 WeakPolarHBondContact O-CG 3.19Å; R542-K546 PolarHBondContact O-N 2.89Å; R542-K546 VanDerWaalsContact O-N 3.07Å |
| 543 | E | 83.9 | Confident | 77.5 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 172.6 | -170.6 | 67.1 | -116.7 | 0 | 0 | 111.2 | S539 A540 R545 K546 S547 R550 | S539-E543 VanDerWaalsContact O-CB 3.23Å; S539-E543 WeakPolarHBondContact O-CB 3.32Å; S539-E543 PolarHBondContact O-N 2.96Å; A540-E543 PolarHBondContact O-N 3.44Å; E543-R545 VanDerWaalsContact C-N 3.33Å; E543-R545 PolarHBondContact O-N 3.35Å; E543-K546 WeakPolarHBondContact O-CB 3.34Å; E543-K546 PolarHBondContact O-N 3.43Å; E543-S547 WeakPolarHBondContact O-CB 3.08Å; E543-S547 PolarHBondContact O-N 3Å; E543-R550 IonicContact OE1-CZ 2.77Å; E543-R550 IonicContact OE1-NH1 3.6Å; E543-R550 PolarHBondContact OE1-NH1 3.16Å; E543-R550 VanDerWaalsContact OE1-NH1 3.1Å; E543-R550 IonicContact OE1-NH2 2.78Å; E543-R550 PolarHBondContact OE1-NH2 2.99Å |
| 544 | Y | 90.3 | Very high | 79.5 | Confident | 156 Ų | 156 | 96.1 Ų | 96.1 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.8 | -46.1 | 174.9 | 176.1 | -94.5 | 0 | 0 | 0 | 111.3 | A540 S547 R548 | A540-Y544 VanDerWaalsContact O-CB 3.28Å; A540-Y544 WeakPolarHBondContact O-CB 3.29Å; A540-Y544 PolarHBondContact O-N 2.96Å; Y544-S547 PolarHBondContact O-N 3.14Å; Y544-S547 VanDerWaalsContact O-N 3.16Å; Y544-R548 PolarHBondContact O-N 2.85Å |
| 545 | R | 88 | Confident | 81.7 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.8 | -162.1 | -179.3 | -57.4 | 117.2 | 8.6 | 111.9 | D537 S541 E543 S547 R548 I549 | D537-R545 IonicContact OD1-CZ 3.24Å; D537-R545 IonicContact OD1-NH1 2.91Å; D537-R545 PolarHBondContact OD1-NH1 3.3Å; D537-R545 IonicContact OD1-NH2 2.69Å; D537-R545 PolarHBondContact OD1-NH2 3.5Å; D537-R545 IonicContact OD2-CZ 3.66Å; D537-R545 IonicContact OD2-NH1 3.87Å; D537-R545 PolarHBondContact OD2-NH1 2.94Å; D537-R545 IonicContact OD2-NH2 3.94Å; S541-R545 WeakPolarHBondContact O-CB 3.37Å; S541-R545 PolarHBondContact O-N 2.92Å; E543-R545 VanDerWaalsContact C-N 3.33Å; E543-R545 PolarHBondContact O-N 3.35Å; R545-S547 VanDerWaalsContact C-N 3.35Å; R545-S547 PolarHBondContact O-N 3.26Å; R545-R548 PolarHBondContact O-N 2.9Å; R545-I549 WeakPolarHBondContact O-CG1 3.3Å; R545-I549 PolarHBondContact O-N 3.47Å |
| 546 | K | 87.2 | Confident | 83.6 | Confident | 115 Ų | 115 | 103.1 Ų | 103.1 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 171.8 | -72.8 | 171.7 | -177.9 | 175 | 0 | 111.6 | R542 E543 R548 I549 R550 | R542-K546 WeakPolarHBondContact O-CG 3.19Å; R542-K546 PolarHBondContact O-N 2.89Å; R542-K546 VanDerWaalsContact O-N 3.07Å; E543-K546 WeakPolarHBondContact O-CB 3.34Å; E543-K546 PolarHBondContact O-N 3.43Å; K546-R548 PolarHBondContact O-N 3.07Å; K546-I549 PolarHBondContact O-N 2.71Å; K546-R550 WeakPolarHBondContact O-CG 3.37Å; K546-R550 PolarHBondContact O-N 2.98Å |
| 547 | S | 92.8 | Very high | 84.8 | Confident | 58 Ų | 58 | 104.6 Ų | 104.6 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | -179.9 | -133.5 | 0 | 0 | 0 | 0 | 112.5 | E543 Y544 R545 I549 R550 G551 | E543-S547 WeakPolarHBondContact O-CB 3.08Å; E543-S547 PolarHBondContact O-N 3Å; Y544-S547 PolarHBondContact O-N 3.14Å; Y544-S547 VanDerWaalsContact O-N 3.16Å; R545-S547 VanDerWaalsContact C-N 3.35Å; R545-S547 PolarHBondContact O-N 3.26Å; S547-I549 VanDerWaalsContact C-N 3.3Å; S547-I549 PolarHBondContact O-N 3.18Å; S547-R550 PolarHBondContact O-N 2.94Å; S547-R550 PolarHBondContact OG-NH2 3.07Å; S547-G551 PolarHBondContact O-N 3.12Å |
| 548 | R | 95.2 | Very high | 85.6 | Confident | 175 Ų | 175 | 104.5 Ų | 104.5 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 175 | -138.5 | -174.4 | 84.5 | -178.9 | 5.9 | 112 | Y544 R545 K546 E552 | Y544-R548 PolarHBondContact O-N 2.85Å; R545-R548 PolarHBondContact O-N 2.9Å; K546-R548 PolarHBondContact O-N 3.07Å; R548-E552 WeakPolarHBondContact O-CB 3.37Å; R548-E552 PolarHBondContact O-N 3.25Å |
| 549 | I | 92.4 | Very high | 85.3 | Confident | 101 Ų | 101 | 104 Ų | 104 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 174.6 | -65.3 | 165.5 | 0 | 0 | 0 | 110.9 | R545 K546 S547 G551 E552 I553 | R545-I549 WeakPolarHBondContact O-CG1 3.3Å; R545-I549 PolarHBondContact O-N 3.47Å; K546-I549 PolarHBondContact O-N 2.71Å; S547-I549 VanDerWaalsContact C-N 3.3Å; S547-I549 PolarHBondContact O-N 3.18Å; I549-G551 VanDerWaalsContact C-N 3.34Å; I549-G551 PolarHBondContact O-N 2.84Å; I549-E552 PolarHBondContact O-N 3.37Å; I549-I553 HydrophobicContact CG2-CD1 3.82Å; I549-I553 HydrophobicContact CG2-CG1 4.49Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 3.23Å |
| 550 | R | 91.7 | Very high | 84.1 | Confident | 126 Ų | 126 | 106.8 Ų | 106.8 | 48% | 0.475 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.3 | -47.1 | 174.5 | -69.6 | -177.8 | -63.5 | -126.4 | -0.1 | 111.3 | E543 K546 S547 I553 A554 | E543-R550 IonicContact OE1-CZ 2.77Å; E543-R550 IonicContact OE1-NH1 3.6Å; E543-R550 PolarHBondContact OE1-NH1 3.16Å; E543-R550 VanDerWaalsContact OE1-NH1 3.1Å; E543-R550 IonicContact OE1-NH2 2.78Å; E543-R550 PolarHBondContact OE1-NH2 2.99Å; K546-R550 WeakPolarHBondContact O-CG 3.37Å; K546-R550 PolarHBondContact O-N 2.98Å; S547-R550 PolarHBondContact O-N 2.94Å; S547-R550 PolarHBondContact OG-NH2 3.07Å; R550-I553 PolarHBondContact O-N 2.75Å; R550-A554 WeakPolarHBondContact O-CB 3.48Å; R550-A554 PolarHBondContact O-N 2.93Å |
| 551 | G | 93 | Very high | 82.5 | Confident | 29 Ų | 29 | 108.8 Ų | 108.8 | 30% | 0.299 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | S547 I549 A554 R555 | S547-G551 PolarHBondContact O-N 3.12Å; I549-G551 VanDerWaalsContact C-N 3.34Å; I549-G551 PolarHBondContact O-N 2.84Å; G551-A554 PolarHBondContact O-N 3.47Å; G551-R555 PolarHBondContact O-N 3.28Å |
| 552 | E | 92.4 | Very high | 80.9 | Confident | 63 Ų | 63 | 109.8 Ų | 109.8 | 29% | 0.294 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 174.2 | 179.1 | 61.1 | -169.7 | 0 | 0 | 112.2 | R548 I549 A554 R555 R556 | R548-E552 WeakPolarHBondContact O-CB 3.37Å; R548-E552 PolarHBondContact O-N 3.25Å; I549-E552 PolarHBondContact O-N 3.37Å; E552-A554 VanDerWaalsContact C-N 3.33Å; E552-R555 PolarHBondContact O-N 3.48Å; E552-R555 IonicContact OE2-CZ 3.91Å; E552-R555 IonicContact OE2-NE 3.03Å; E552-R555 PolarHBondContact OE2-NE 2.87Å; E552-R555 VanDerWaalsContact OE2-NE 3.16Å; E552-R555 IonicContact OE2-NH2 3.22Å; E552-R555 PolarHBondContact OE2-NH2 3.14Å; E552-R556 WeakPolarHBondContact O-CG 3.37Å; E552-R556 PolarHBondContact O-N 3.08Å; E552-R556 IonicContact OE1-CZ 3.38Å; E552-R556 IonicContact OE1-NE 2.7Å; E552-R556 PolarHBondContact OE1-NE 2.78Å; E552-R556 IonicContact OE1-NH2 3.42Å; E552-R556 PolarHBondContact OE1-NH2 2.78Å |
| 553 | I | 82.3 | Confident | 79.3 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 43% | 0.431 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 173.6 | -67.4 | 167.2 | 0 | 0 | 0 | 110.7 | I549 R550 R556 R557 | I549-I553 HydrophobicContact CG2-CD1 3.82Å; I549-I553 HydrophobicContact CG2-CG1 4.49Å; I549-I553 WeakPolarHBondContact O-CG1 3.38Å; I549-I553 PolarHBondContact O-N 3.23Å; R550-I553 PolarHBondContact O-N 2.75Å; I553-R556 PolarHBondContact O-N 2.99Å; I553-R557 WeakPolarHBondContact O-CG 3.34Å; I553-R557 PolarHBondContact O-N 3.07Å |
| 554 | A | 85.7 | Confident | 77.5 | Confident | 61 Ų | 61 | 110.2 Ų | 110.2 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | R550 G551 E552 R557 G558 | R550-A554 WeakPolarHBondContact O-CB 3.48Å; R550-A554 PolarHBondContact O-N 2.93Å; G551-A554 PolarHBondContact O-N 3.47Å; E552-A554 VanDerWaalsContact C-N 3.33Å; A554-R557 PolarHBondContact O-N 3.44Å; A554-G558 PolarHBondContact O-N 2.99Å |
| 555 | R | 87.5 | Confident | 75.2 | Confident | 136 Ų | 136 | 109.9 Ų | 109.9 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.1 | -51.7 | 172.1 | -82.7 | -168.5 | -65.1 | -95.1 | -0.9 | 111.7 | G551 E552 R557 G558 N559 | G551-R555 PolarHBondContact O-N 3.28Å; E552-R555 PolarHBondContact O-N 3.48Å; E552-R555 IonicContact OE2-CZ 3.91Å; E552-R555 IonicContact OE2-NE 3.03Å; E552-R555 PolarHBondContact OE2-NE 2.87Å; E552-R555 VanDerWaalsContact OE2-NE 3.16Å; E552-R555 IonicContact OE2-NH2 3.22Å; E552-R555 PolarHBondContact OE2-NH2 3.14Å; R555-R557 PolarHBondContact O-N 2.94Å; R555-G558 CarbonylContact O-C 3.55Å; R555-G558 WeakPolarHBondContact O-CA 3.19Å; R555-G558 PolarHBondContact O-N 3.47Å; R555-N559 PolarHBondContact O-N 2.82Å; R555-N559 PolarHBondContact O-OD1 2.82Å |
| 556 | R | 89.7 | Confident | 72.8 | Confident | 171 Ų | 171 | 111 Ų | 111 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.4 | -34.4 | -179.8 | -70.8 | 179.2 | -169.2 | -153.6 | -0.1 | 112.8 | E552 I553 F560 | E552-R556 WeakPolarHBondContact O-CG 3.37Å; E552-R556 PolarHBondContact O-N 3.08Å; E552-R556 IonicContact OE1-CZ 3.38Å; E552-R556 IonicContact OE1-NE 2.7Å; E552-R556 PolarHBondContact OE1-NE 2.78Å; E552-R556 IonicContact OE1-NH2 3.42Å; E552-R556 PolarHBondContact OE1-NH2 2.78Å; I553-R556 PolarHBondContact O-N 2.99Å; R556-F560 WeakPolarHBondContact O-CB 3.32Å; R556-F560 PolarHBondContact O-N 2.84Å |
| 557 | R | 76.8 | Confident | 70.3 | Confident | 178 Ų | 178 | 110.7 Ų | 110.7 | 67% | 0.672 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.8 | -42.8 | 171.2 | -72.9 | 174.4 | 172.8 | -175.7 | -3.2 | 112.6 | I553 A554 R555 F560 N561 | I553-R557 WeakPolarHBondContact O-CG 3.34Å; I553-R557 PolarHBondContact O-N 3.07Å; A554-R557 PolarHBondContact O-N 3.44Å; R555-R557 PolarHBondContact O-N 2.94Å; R557-F560 PolarHBondContact O-N 3.41Å; R557-N561 PolarHBondContact O-N 3.02Å; R557-N561 PolarHBondContact O-OD1 3.12Å |
| 558 | G | 73.9 | Confident | 67.4 | Low | 42 Ų | 42 | 117.5 Ų | 117.5 | 43% | 0.433 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.9 | -48.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A554 R555 F560 N561 S562 | A554-G558 PolarHBondContact O-N 2.99Å; R555-G558 CarbonylContact O-C 3.55Å; R555-G558 WeakPolarHBondContact O-CA 3.19Å; R555-G558 PolarHBondContact O-N 3.47Å; G558-F560 VanDerWaalsContact C-N 3.3Å; G558-F560 PolarHBondContact O-N 2.86Å; G558-N561 CarbonylContact O-C 3.58Å; G558-N561 PolarHBondContact O-N 3.09Å; G558-N561 VanDerWaalsContact O-N 3.16Å; G558-S562 PolarHBondContact O-N 2.8Å; G558-S562 PolarHBondContact O-OG 3.18Å |
| 559 | N | 71.2 | Confident | 64.4 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 54% | 0.535 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.5 | -34.9 | 176.1 | -77.9 | 88.6 | 0 | 0 | 0 | 112.9 | R555 S562 C563 | R555-N559 PolarHBondContact O-N 2.82Å; R555-N559 PolarHBondContact O-OD1 2.82Å; N559-S562 VanDerWaalsContact CA-OG 3.32Å; N559-S562 WeakPolarHBondContact CA-OG 3.48Å; N559-S562 PolarHBondContact O-N 3.22Å; N559-S562 PolarHBondContact O-OG 3Å; N559-C563 PolarHBondContact O-SG 2.7Å; N559-C563 VanDerWaalsContact O-SG 3.4Å |
| 560 | F | 51.3 | Low | 61.4 | Low | 164 Ų | 164 | 117.3 Ų | 117.3 | 72% | 0.719 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.5 | -40.2 | 174.3 | -165.8 | -93.2 | 0 | 0 | 0 | 111.5 | R556 R557 G558 S562 C563 | R556-F560 WeakPolarHBondContact O-CB 3.32Å; R556-F560 PolarHBondContact O-N 2.84Å; R557-F560 PolarHBondContact O-N 3.41Å; G558-F560 VanDerWaalsContact C-N 3.3Å; G558-F560 PolarHBondContact O-N 2.86Å; F560-S562 VanDerWaalsContact C-N 3.32Å; F560-S562 PolarHBondContact O-N 2.85Å; F560-C563 PolarHBondContact O-N 3.12Å |
| 561 | N | 47.1 | Very low | 58.6 | Low | 118 Ų | 118 | 121.4 Ų | 121.4 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71 | -24.3 | 175.1 | -69.2 | 16.5 | 0 | 0 | 0 | 113 | R557 G558 C563 | R557-N561 PolarHBondContact O-N 3.02Å; R557-N561 PolarHBondContact O-OD1 3.12Å; G558-N561 CarbonylContact O-C 3.58Å; G558-N561 PolarHBondContact O-N 3.09Å; G558-N561 VanDerWaalsContact O-N 3.16Å; N561-C563 VanDerWaalsContact C-N 3.25Å; N561-C563 PolarHBondContact O-N 3.14Å |
| 562 | S | 48.8 | Very low | 55.7 | Low | 78 Ų | 78 | 128.5 Ų | 128.5 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -80.1 | 1 | 174.4 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | G558 N559 F560 E564 | G558-S562 PolarHBondContact O-N 2.8Å; G558-S562 PolarHBondContact O-OG 3.18Å; N559-S562 VanDerWaalsContact CA-OG 3.32Å; N559-S562 WeakPolarHBondContact CA-OG 3.48Å; N559-S562 PolarHBondContact O-N 3.22Å; N559-S562 PolarHBondContact O-OG 3Å; F560-S562 VanDerWaalsContact C-N 3.32Å; F560-S562 PolarHBondContact O-N 2.85Å; S562-E564 VanDerWaalsContact C-N 3.3Å |
| 563 | C | 44.8 | Very low | 52.8 | Low | 74 Ų | 74 | 130.7 Ų | 130.7 | 50% | 0.5 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -85.5 | 6.8 | 176.6 | -73.1 | 0 | 0 | 0 | 0 | 114.2 | N559 F560 N561 D565 L566 | N559-C563 PolarHBondContact O-SG 2.7Å; N559-C563 VanDerWaalsContact O-SG 3.4Å; F560-C563 PolarHBondContact O-N 3.12Å; N561-C563 VanDerWaalsContact C-N 3.25Å; N561-C563 PolarHBondContact O-N 3.14Å; C563-D565 PolarHBondContact O-N 2.72Å; C563-L566 PolarHBondContact O-N 2.82Å |
| 564 | E | 45.9 | Very low | 50.4 | Low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -67.7 | -19.7 | 177.8 | -65.1 | -168.6 | 158.1 | 0 | 0 | 113.3 | S562 L566 | S562-E564 VanDerWaalsContact C-N 3.3Å; E564-L566 PolarHBondContact O-N 3.42Å |
| 565 | D | 42.1 | Very low | 47.7 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -75.6 | 8.1 | 173.8 | -81.8 | -23.2 | 0 | 0 | 0 | 114.6 | C563 T567 | C563-D565 PolarHBondContact O-N 2.72Å; D565-T567 PolarHBondContact O-N 2.91Å |
| 566 | L | 37 | Very low | 45 | Very low | 143 Ų | 143 | 144 Ų | 144 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -83 | 34.5 | 166.2 | -66.4 | -178.7 | 0 | 0 | 0 | 112.9 | C563 E564 F568 | C563-L566 PolarHBondContact O-N 2.82Å; E564-L566 PolarHBondContact O-N 3.42Å; L566-F568 PolarHBondContact O-N 2.69Å | ||
| 567 | T | 34.9 | Very low | 42.2 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | trans | -69.7 | 116.4 | 163.5 | 43.3 | 0 | 0 | 0 | 0 | 109.2 | D565 S569 | D565-T567 PolarHBondContact O-N 2.91Å; T567-S569 VanDerWaalsContact C-N 3.29Å; T567-S569 PolarHBondContact O-N 2.78Å | ||
| 568 | F | 31.4 | Very low | 39.8 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 89% | 0.886 | 74% | 0.738 | S | S | * | * | trans | -60.2 | 85.7 | 175.6 | -93.9 | -117.7 | 0 | 0 | 0 | 110.9 | L566 M570 | L566-F568 PolarHBondContact O-N 2.69Å; F568-M570 PolarHBondContact O-N 2.77Å | ||
| 569 | S | 32.7 | Very low | 37.7 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -79.6 | 103.4 | 166.7 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | T567 R571 | T567-S569 VanDerWaalsContact C-N 3.29Å; T567-S569 PolarHBondContact O-N 2.78Å; S569-R571 PolarHBondContact O-N 2.82Å | ||
| 570 | M | 29.9 | Very low | 35.7 | Very low | 169 Ų | 169 | 152.5 Ų | 152.5 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | trans | -68 | 68.2 | 169.8 | -70.7 | -86.8 | -71.3 | 0 | 0 | 109.8 | F568 E572 | F568-M570 PolarHBondContact O-N 2.77Å; M570-E572 PolarHBondContact O-N 3.03Å | ||
| 571 | R | 32.4 | Very low | 34.7 | Very low | 212 Ų | 212 | 156.1 Ų | 156.1 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -79.7 | 93 | 173.3 | -179.9 | 177.9 | -76 | -177 | -3.4 | 108.3 | S569 P573 | S569-R571 PolarHBondContact O-N 2.82Å; R571-P573 VanDerWaalsContact O-CD 3.25Å; R571-P573 WeakPolarHBondContact O-CD 3.48Å | ||
| 572 | E | 32.3 | Very low | 33.7 | Very low | 177 Ų | 177 | 162.9 Ų | 162.9 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -56.6 | 116.8 | 172.7 | -67.9 | -178.9 | 116.8 | 0 | 0 | 110 | M570 Y574 | M570-E572 PolarHBondContact O-N 3.03Å; E572-Y574 PolarHBondContact O-N 3.17Å | ||
| 573 | P | 31 | Very low | 32.8 | Very low | 109 Ų | 109 | 167.9 Ų | 167.9 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -106 | 71.2 | -167.2 | 38.5 | -31.7 | 0 | 0 | 0 | 111.8 | R571 | R571-P573 VanDerWaalsContact O-CD 3.25Å; R571-P573 WeakPolarHBondContact O-CD 3.48Å | ||
| 574 | Y | 31.7 | Very low | 32.2 | Very low | 202 Ų | 202 | 169.7 Ų | 169.7 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -139.7 | 149.5 | 175.5 | -90.8 | -82.5 | 0 | 0 | 0 | 112.9 | E572 | E572-Y574 PolarHBondContact O-N 3.17Š| ||
| 575 | F | 29 | Very low | 31.3 | Very low | 193 Ų | 193 | 170.2 Ų | 170.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 71.8 | 66.3 | 177.6 | -55.9 | -75.4 | 0 | 0 | 0 | 117.4 | ||
| 576 | D | 31 | Very low | 30.7 | Very low | 167 Ų | 167 | 171.1 Ų | 171.1 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | -148.1 | 173.5 | 118.2 | -111 | -35.4 | 0 | 0 | 0 | 109.3 | |||||
| 577 | E | 31.1 | Very low | 30.4 | Very low | 182 Ų | 182 | 167.7 Ų | 167.7 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | 80.7 | 45.5 | -173.1 | -66.7 | -81.6 | 113 | 0 | 0 | 117.8 | ||||
| 578 | M | 27.3 | Very low | 30.1 | Very low | 202 Ų | 202 | 171.2 Ų | 171.2 | 100% | 0.995 | 84% | 0.836 | S | S | * | * | trans | -129.5 | 42.3 | 154.3 | -75.2 | -156.4 | -166.6 | 0 | 0 | 113 | ||||
| 579 | G | 28 | Very low | 29.8 | Very low | 59 Ų | 59 | 172.6 Ų | 172.6 | 61% | 0.608 | 84% | 0.837 | S | S | * | * | trans | -89.8 | -33.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 580 | Y | 31.1 | Very low | 29.6 | Very low | 225 Ų | 225 | 178.7 Ų | 178.7 | 88% | 0.882 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -136 | 74.4 | -158.8 | -67.4 | -75.1 | 0 | 0 | 0 | 116.1 | ||
| 581 | R | 29.9 | Very low | 29.6 | Very low | 240 Ų | 240 | 176.7 Ų | 176.7 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | -178.9 | 91.1 | 140.8 | -102.7 | 173.7 | -169.9 | -177 | 5.1 | 111.5 | ||||
| 582 | R | 25.8 | Very low | 29.6 | Very low | 260 Ų | 260 | 171.7 Ų | 171.7 | 98% | 0.981 | 84% | 0.841 | S | S | * | * | trans | -118.8 | 54.8 | 162 | -77 | -162.6 | -175.9 | -135 | 5.5 | 111.5 | ||||
| 583 | Q | 29.5 | Very low | 29.3 | Very low | 183 Ų | 183 | 166.8 Ų | 166.8 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -156.9 | 135.1 | 167.2 | -97 | 162.6 | -0.3 | 0 | 0 | 106.1 | ||||
| 584 | S | 32.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 166.9 Ų | 166.9 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | cis | -125.8 | 146.7 | 0.9 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 585 | L | 28 | Very low | 29.5 | Very low | 177 Ų | 177 | 168.4 Ų | 168.4 | 93% | 0.927 | 85% | 0.845 | S | S | * | * | trans | -104.5 | 59.8 | -176.7 | -168.8 | 83.9 | 0 | 0 | 0 | 111.7 | ||||
| 586 | L | 29.3 | Very low | 29.5 | Very low | 169 Ų | 169 | 164.7 Ų | 164.7 | 89% | 0.885 | 84% | 0.838 | S | S | * | * | trans | -158.7 | 117.8 | 165.8 | -145.1 | 67.7 | 0 | 0 | 0 | 111.2 | ||||
| 587 | G | 29.4 | Very low | 29.6 | Very low | 71 Ų | 71 | 161.8 Ų | 161.8 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | 178.5 | 129.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 588 | H | 29.4 | Very low | 29.7 | Very low | 181 Ų | 181 | 159.2 Ų | 159.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -78.5 | 151 | -166.3 | -68.9 | -91.5 | 0 | 0 | 0 | 113.8 | R590 | H588-R590 PolarHBondContact O-N 3.42Š| ||
| 589 | Y | 25.2 | Very low | 29.9 | Very low | 231 Ų | 231 | 156.8 Ų | 156.8 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -47.3 | 130.3 | 174.5 | -64.4 | -95.1 | 0 | 0 | 0 | 113.1 | ||||
| 590 | R | 28.1 | Very low | 30.2 | Very low | 231 Ų | 231 | 158.8 Ų | 158.8 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -134.4 | 101.9 | 160.3 | -165.7 | 172.7 | -167.4 | 155.9 | 5.2 | 110 | H588 | H588-R590 PolarHBondContact O-N 3.42Š| ||
| 591 | P | 29.2 | Very low | 30.2 | Very low | 127 Ų | 127 | 159.3 Ų | 159.3 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -82.9 | 118 | -179 | 31.1 | -32 | 0 | 0 | 0 | 111.3 | ||||
| 592 | S | 33.9 | Very low | 30.5 | Very low | 107 Ų | 107 | 158.8 Ų | 158.8 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -151.5 | 113.3 | 165.9 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 593 | G | 24.9 | Very low | 31.1 | Very low | 74 Ų | 74 | 151.4 Ų | 151.4 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -86.1 | -159.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 594 | P | 36 | Very low | 31.4 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -129.9 | 120.6 | -4.6 | 34.7 | -16.9 | 0 | 0 | 0 | 113.1 | ||||
| 595 | Y | 30.2 | Very low | 31.5 | Very low | 233 Ų | 233 | 149.1 Ų | 149.1 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | -100.6 | 95.5 | 166 | -91.3 | -82.8 | 0 | 0 | 0 | 110.7 | S597 | Y595-S597 PolarHBondContact O-N 3.33Å; Y595-S597 VanDerWaalsContact O-N 3.15Å | ||
| 596 | T | 29.6 | Very low | 32 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | -82.1 | 80 | 175.2 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | T598 | T596-T598 VanDerWaalsContact C-N 3.35Å; T596-T598 PolarHBondContact O-N 3.31Å | ||
| 597 | S | 33.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -73.3 | 85.2 | 176.7 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | Y595 L599 | Y595-S597 PolarHBondContact O-N 3.33Å; Y595-S597 VanDerWaalsContact O-N 3.15Å; S597-L599 PolarHBondContact O-N 2.8Å | ||
| 598 | T | 33.4 | Very low | 32.8 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -73 | 55.1 | 179.7 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | T596 P600 | T596-T598 VanDerWaalsContact C-N 3.35Å; T596-T598 PolarHBondContact O-N 3.31Å; T598-P600 VanDerWaalsContact O-CD 3.28Å; T598-P600 WeakPolarHBondContact O-CD 3.24Å | ||
| 599 | L | 32.5 | Very low | 33.3 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 115.4 | 167.8 | -82.5 | 167.5 | 0 | 0 | 0 | 109.6 | S597 R601 | S597-L599 PolarHBondContact O-N 2.8Å; L599-R601 PolarHBondContact O-N 2.87Å; L599-R601 VanDerWaalsContact O-N 3.12Å | ||
| 600 | P | 33.9 | Very low | 34 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 115.8 | -179.9 | -19 | 33.2 | 0 | 0 | 0 | 110 | T598 Y602 | T598-P600 VanDerWaalsContact O-CD 3.28Å; T598-P600 WeakPolarHBondContact O-CD 3.24Å; P600-Y602 PolarHBondContact O-N 3.11Å; P600-Y602 VanDerWaalsContact O-N 3.09Å | ||
| 601 | R | 30.3 | Very low | 34.2 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -66.8 | 109.6 | 164.9 | -69.6 | -176.6 | -178.3 | 176.5 | 0.9 | 107.4 | L599 S603 | L599-R601 PolarHBondContact O-N 2.87Å; L599-R601 VanDerWaalsContact O-N 3.12Å; R601-S603 PolarHBondContact O-N 2.76Å | ||
| 602 | Y | 36.4 | Very low | 34.4 | Very low | 228 Ų | 228 | 146.5 Ų | 146.5 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | trans | -65.1 | 84.2 | 159.8 | -73.2 | -88.1 | 0 | 0 | 0 | 107.8 | P600 | P600-Y602 PolarHBondContact O-N 3.11Å; P600-Y602 VanDerWaalsContact O-N 3.09Å | ||
| 603 | S | 38.5 | Very low | 34.5 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -58 | 142.5 | 165.3 | 49 | 0 | 0 | 0 | 0 | 108.5 | R601 | R601-S603 PolarHBondContact O-N 2.76Š| ||
| 604 | S | 36.8 | Very low | 34.9 | Very low | 91 Ų | 91 | 148.3 Ų | 148.3 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -44.2 | 147.3 | -175.9 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 605 | L | 33.6 | Very low | 34.9 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -37.4 | 144.4 | 169.3 | -75 | 162.6 | 0 | 0 | 0 | 112.1 | R607 | L605-R607 PolarHBondContact O-N 3.39Å; L605-R607 VanDerWaalsContact O-N 3.15Å |
| 606 | P | 39.4 | Very low | 35.2 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -48.6 | 124.9 | -179.9 | -27.5 | 34.6 | 0 | 0 | 0 | 111 | I608 | P606-I608 PolarHBondContact O-N 2.8Š| ||
| 607 | R | 36 | Very low | 35.3 | Very low | 210 Ų | 210 | 150 Ų | 150 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 108.9 | 167.4 | -67.2 | -174.8 | -179.5 | -160 | -0.6 | 105.8 | L605 D609 | L605-R607 PolarHBondContact O-N 3.39Å; L605-R607 VanDerWaalsContact O-N 3.15Å; R607-D609 PolarHBondContact O-N 3.28Å; R607-D609 VanDerWaalsContact O-N 3.1Å | ||
| 608 | I | 38.4 | Very low | 35.4 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -70.9 | 104.9 | 170.3 | -61.5 | 174.1 | 0 | 0 | 0 | 104.9 | P606 L610 | P606-I608 PolarHBondContact O-N 2.8Å; I608-L610 VanDerWaalsContact C-N 3.32Å; I608-L610 PolarHBondContact O-N 3.05Å | ||
| 609 | D | 40.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -66.6 | 94.2 | 178.7 | -68.1 | -44.9 | 0 | 0 | 0 | 108.8 | R607 L611 | R607-D609 PolarHBondContact O-N 3.28Å; R607-D609 VanDerWaalsContact O-N 3.1Å; D609-L611 VanDerWaalsContact C-N 3.33Å; D609-L611 PolarHBondContact O-N 2.81Å | ||
| 610 | L | 39.2 | Very low | 35.2 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -67.4 | 95.3 | 172 | -70.2 | 174.6 | 0 | 0 | 0 | 107.9 | I608 Y612 | I608-L610 VanDerWaalsContact C-N 3.32Å; I608-L610 PolarHBondContact O-N 3.05Å; L610-Y612 VanDerWaalsContact C-N 3.28Å; L610-Y612 PolarHBondContact O-N 3.3Å | ||
| 611 | L | 33.2 | Very low | 35.1 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -58.5 | 89.7 | 173 | -69.8 | 170.2 | 0 | 0 | 0 | 109.7 | D609 D613 | D609-L611 VanDerWaalsContact C-N 3.33Å; D609-L611 PolarHBondContact O-N 2.81Å; L611-D613 PolarHBondContact O-N 3.33Å | ||
| 612 | Y | 33.8 | Very low | 35.1 | Very low | 215 Ų | 215 | 155.1 Ų | 155.1 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -94.8 | 90.5 | 178.7 | -145.9 | -87.3 | 0 | 0 | 0 | 107.9 | L610 G614 | L610-Y612 VanDerWaalsContact C-N 3.28Å; L610-Y612 PolarHBondContact O-N 3.3Å; Y612-G614 PolarHBondContact O-N 2.87Å | ||
| 613 | D | 34.9 | Very low | 34.9 | Very low | 171 Ų | 171 | 150 Ų | 150 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 75.7 | 177.1 | -94.8 | -39.9 | 0 | 0 | 0 | 111.1 | L611 | L611-D613 PolarHBondContact O-N 3.33Š| ||
| 614 | G | 33.8 | Very low | 34.5 | Very low | 48 Ų | 48 | 154 Ų | 154 | 50% | 0.495 | 77% | 0.773 | S | S | . | * | trans | -105.8 | 127.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y612 | Y612-G614 PolarHBondContact O-N 2.87Š| ||
| 615 | P | 35.2 | Very low | 34.3 | Very low | 120 Ų | 120 | 158.9 Ų | 158.9 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -61.5 | 149.2 | -176.6 | 23.7 | -33.4 | 0 | 0 | 0 | 112.4 | R617 | P615-R617 PolarHBondContact O-N 2.89Š| ||
| 616 | P | 36.4 | Very low | 34.3 | Very low | 136 Ų | 136 | 156.9 Ų | 156.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -67.4 | 101.5 | -164.7 | 26.3 | -35.6 | 0 | 0 | 0 | 112.5 | ||||
| 617 | R | 32.9 | Very low | 33.9 | Very low | 241 Ų | 241 | 160.3 Ų | 160.3 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 124.5 | 176.3 | -148.9 | 170.5 | -170.8 | 167 | 2.3 | 109.7 | P615 | P615-R617 PolarHBondContact O-N 2.89Š| ||
| 618 | S | 34.7 | Very low | 33.6 | Very low | 94 Ų | 94 | 160.5 Ų | 160.5 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -61 | 135.2 | -167.1 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | T620 | S618-T620 PolarHBondContact O-N 3.05Å; S618-T620 PolarHBondContact OG-OG1 3.42Å | ||
| 619 | Q | 30.3 | Very low | 33 | Very low | 200 Ų | 200 | 158.5 Ų | 158.5 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 64 | 178 | -68.2 | 179.1 | -14.1 | 0 | 0 | 111.6 | ||||
| 620 | T | 31.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 160 Ų | 160 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | -131.9 | 51.4 | -174.6 | 55.6 | 0 | 0 | 0 | 0 | 112 | S618 | S618-T620 PolarHBondContact O-N 3.05Å; S618-T620 PolarHBondContact OG-OG1 3.42Å | ||
| 621 | Y | 32.4 | Very low | 32.2 | Very low | 207 Ų | 207 | 159.1 Ų | 159.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -148.5 | 50.8 | 167.8 | -146.2 | -91.5 | 0 | 0 | 0 | 113.6 | ||||
| 622 | F | 29.2 | Very low | 31.9 | Very low | 220 Ų | 220 | 161.4 Ų | 161.4 | 97% | 0.965 | 79% | 0.789 | S | S | * | * | trans | -105 | 64.1 | 162.7 | -91.5 | -74.4 | 0 | 0 | 0 | 110 | ||||
| 623 | E | 31.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 57% | 0.565 | 79% | 0.786 | S | S | * | * | trans | -125.1 | 116.6 | 173.6 | -86.4 | -111.9 | 87.4 | 0 | 0 | 111.1 | ||||
| 624 | R | 30.8 | Very low | 31.4 | Very low | 191 Ų | 191 | 159.9 Ų | 159.9 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | 66.1 | 63.7 | 138.1 | -149.8 | -178.3 | -57 | 142.6 | 5.5 | 118.3 | ||||
| 625 | M | 33.1 | Very low | 31.3 | Very low | 193 Ų | 193 | 163.4 Ų | 163.4 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 123.2 | 144.6 | -98 | -168.9 | 169.6 | 0 | 0 | 109.5 | ||
| 626 | P | 33.9 | Very low | 31.1 | Very low | 113 Ų | 113 | 161.2 Ų | 161.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 150.6 | -176.9 | -15 | 30.1 | 0 | 0 | 0 | 113.5 | R628 | P626-R628 PolarHBondContact O-N 2.77Š|
| 627 | E | 30.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 161 Ų | 161 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 128.7 | 170.5 | -63 | -172.4 | -179.9 | 0 | 0 | 111.5 | ||
| 628 | R | 29.4 | Very low | 30.8 | Very low | 214 Ų | 214 | 155.8 Ų | 155.8 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -122.5 | 89.4 | 162 | -82.9 | -167.5 | 172.1 | -168.2 | -1.5 | 109.7 | P626 F630 | P626-R628 PolarHBondContact O-N 2.77Å; R628-F630 HydrophobicContact CB-CD2 4.39Å; R628-F630 HydrophobicContact CB-CE2 4.15Å; R628-F630 PolarHBondContact O-N 3.38Å; R628-F630 VanDerWaalsContact O-N 3.08Å | ||
| 629 | S | 26.4 | Very low | 30.7 | Very low | 104 Ų | 104 | 156.8 Ų | 156.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -69 | 93.5 | 173.3 | 34.8 | 0 | 0 | 0 | 0 | 111.1 | V631 | S629-V631 PolarHBondContact O-N 3.45Š| ||
| 630 | F | 31.7 | Very low | 30.5 | Very low | 168 Ų | 168 | 158.6 Ų | 158.6 | 74% | 0.737 | 80% | 0.798 | S | S | * | * | trans | -80.3 | 104.5 | 169.7 | -81.8 | -79.1 | 0 | 0 | 0 | 110.6 | R628 | R628-F630 HydrophobicContact CB-CD2 4.39Å; R628-F630 HydrophobicContact CB-CE2 4.15Å; R628-F630 PolarHBondContact O-N 3.38Å; R628-F630 VanDerWaalsContact O-N 3.08Å | ||
| 631 | V | 30.3 | Very low | 30.3 | Very low | 129 Ų | 129 | 161.4 Ų | 161.4 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 122.2 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | S629 | S629-V631 PolarHBondContact O-N 3.45Š|
| 632 | Y | 26.6 | Very low | 30.2 | Very low | 212 Ų | 212 | 156.9 Ų | 156.9 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 126.2 | 167.9 | -94.3 | -92.7 | 0 | 0 | 0 | 110.6 | ||
| 633 | P | 31.1 | Very low | 30 | Very low | 118 Ų | 118 | 157.4 Ų | 157.4 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82 | 136.2 | -179.8 | 31.6 | -33.8 | 0 | 0 | 0 | 112.8 | ||
| 634 | Y | 27.6 | Very low | 30.2 | Very low | 236 Ų | 236 | 158.9 Ų | 158.9 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -104.6 | 120.5 | 172.3 | -102.6 | -91.5 | 0 | 0 | 0 | 110.6 | ||||
| 635 | S | 32.6 | Very low | 30 | Very low | 122 Ų | 122 | 156.4 Ų | 156.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -167.6 | 128.8 | 164.7 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 636 | G | 29.8 | Very low | 29.9 | Very low | 74 Ų | 74 | 155.3 Ų | 155.3 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 140.2 | 108.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 637 | P | 33 | Very low | 29.5 | Very low | 131 Ų | 131 | 153 Ų | 153 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 158.4 | -177.4 | 35.8 | -34.4 | 0 | 0 | 0 | 114.6 | ||
| 638 | V | 31.1 | Very low | 29.2 | Very low | 132 Ų | 132 | 154.8 Ų | 154.8 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 133.7 | -175.7 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 639 | P | 32.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 145.7 | 173.1 | 31.2 | -34.9 | 0 | 0 | 0 | 112.4 | ||
| 640 | R | 25.6 | Very low | 29.7 | Very low | 238 Ų | 238 | 153.9 Ų | 153.9 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -108.5 | 141.3 | 174.1 | -63.3 | 179.4 | 178.3 | 179.8 | -0.9 | 110.4 | ||||
| 641 | L | 27.1 | Very low | 29.6 | Very low | 167 Ų | 167 | 157.4 Ų | 157.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -114.8 | 161.2 | 163.6 | -101.9 | 81.3 | 0 | 0 | 0 | 111.2 | ||||
| 642 | P | 30.8 | Very low | 29.6 | Very low | 112 Ų | 112 | 155.1 Ų | 155.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -98.1 | 171.4 | -150 | 37.7 | -38.1 | 0 | 0 | 0 | 116.1 | ||||
| 643 | R | 25.8 | Very low | 29.6 | Very low | 230 Ų | 230 | 152.2 Ų | 152.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -96.4 | 138.3 | 168.4 | -65.8 | 172.3 | 171.6 | 153.2 | -5.8 | 110.6 | ||||
| 644 | N | 34.8 | Very low | 29.5 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -137.3 | 125.3 | 147.8 | -61.4 | -55.3 | 0 | 0 | 0 | 104.7 | ||||
| 645 | L | 26.6 | Very low | 29.5 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 73% | 0.728 | 80% | 0.796 | S | S | * | * | cis | 82.1 | 136.4 | 49.6 | -99.9 | 116.9 | 0 | 0 | 0 | 115.6 | ||||
| 646 | E | 31 | Very low | 29.3 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 58.7 | 152.6 | 177.8 | -72.2 | 132.1 | 133 | 0 | 0 | 118.4 | ||||
| 647 | G | 25.4 | Very low | 29.4 | Very low | 64 Ų | 64 | 155.7 Ų | 155.7 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | cis | 143.1 | 163.3 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 648 | Y | 24.7 | Very low | 29.4 | Very low | 223 Ų | 223 | 157.2 Ų | 157.2 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | 80.9 | 153.3 | 171.5 | -83.1 | -97.8 | 0 | 0 | 0 | 117.8 | ||||
| 649 | P | 38.2 | Very low | 29.3 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | -143.9 | -156.2 | -112.2 | 43.4 | -20.4 | 0 | 0 | 0 | 116 | |||||
| 650 | Q | 27.2 | Very low | 29.3 | Very low | 188 Ų | 188 | 164.9 Ų | 164.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -65.9 | 144 | -172.4 | -62.9 | 158.4 | -32.7 | 0 | 0 | 116.2 | ||||
| 651 | R | 29.4 | Very low | 29.4 | Very low | 243 Ų | 243 | 157.6 Ų | 157.6 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -159.8 | 155.3 | 158.7 | -91.7 | -174.3 | 171.9 | 164.5 | -4 | 107 | ||||
| 652 | S | 30 | Very low | 29.4 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 57% | 0.566 | 80% | 0.8 | S | S | * | * | cis | -162.8 | 157.5 | -17.4 | 47.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 653 | D | 26.2 | Very low | 29.1 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 142.3 | -175.6 | -47.8 | -90.6 | 0 | 0 | 0 | 113.5 | ||||
| 654 | Y | 30.3 | Very low | 29.3 | Very low | 222 Ų | 222 | 150.2 Ų | 150.2 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | trans | -132.3 | 151.2 | 161.1 | -85.5 | -77.8 | 0 | 0 | 0 | 109.4 | ||||
| 655 | V | 27.8 | Very low | 29 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 138.2 | -149.4 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 656 | L | 27.6 | Very low | 29.3 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | 72.7 | 145.4 | 161.9 | -78.5 | 168.5 | 0 | 0 | 0 | 121.4 | ||||
| 657 | D | 31.3 | Very low | 29.1 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | 91 | 142.8 | 143.3 | -64.5 | -25.9 | 0 | 0 | 0 | 125.1 | ||||
| 658 | D | 33.8 | Very low | 29.4 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 66.6 | 117.3 | 169.8 | -86.8 | -15.6 | 0 | 0 | 0 | 123.7 | ||||
| 659 | D | 28.1 | Very low | 29.7 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -58.1 | 133.5 | 170.1 | -80 | -62.5 | 0 | 0 | 0 | 114.2 | ||||
| 660 | R | 34.3 | Very low | 29.2 | Very low | 250 Ų | 250 | 150.9 Ų | 150.9 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | -152.6 | 115.9 | 138.2 | -110.5 | 166.9 | -141 | -125.8 | 2.1 | 110.8 | ||||
| 661 | G | 26.8 | Very low | 29.3 | Very low | 85 Ų | 85 | 149 Ų | 149 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -72.7 | 155.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 662 | G | 26.8 | Very low | 29.1 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 163.1 | 75.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L664 | G662-L664 PolarHBondContact O-N 3.45Š| ||
| 663 | A | 25 | Very low | 28.9 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -74.7 | 120.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 664 | L | 30.8 | Very low | 28.9 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -127.5 | 127.6 | 147.4 | -78 | 178.5 | 0 | 0 | 0 | 108.4 | G662 | G662-L664 PolarHBondContact O-N 3.45Š| ||
| 665 | A | 28.1 | Very low | 28.8 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E667 | A665-E667 PolarHBondContact O-N 2.69Š|
| 666 | N | 31.5 | Very low | 28.8 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 124.6 | 170.3 | -76.7 | -40.3 | 0 | 0 | 0 | 110.3 | ||
| 667 | E | 28.8 | Very low | 29 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 132.8 | 174 | -138.3 | -77.8 | 146.9 | 0 | 0 | 109.5 | A665 A669 | A665-E667 PolarHBondContact O-N 2.69Å; E667-A669 PolarHBondContact O-N 3.27Å |
| 668 | P | 30.6 | Very low | 28.7 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 64% | 0.643 | 83% | 0.825 | S | S | * | * | trans | -75.7 | 111.2 | -170.3 | 28.3 | -35.7 | 0 | 0 | 0 | 113.2 | R670 | P668-R670 PolarHBondContact O-N 3.34Š| ||
| 669 | A | 31.3 | Very low | 28.4 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -54.1 | 103.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E667 Q671 | E667-A669 PolarHBondContact O-N 3.27Å; A669-Q671 PolarHBondContact O-N 2.99Å | ||
| 670 | R | 28.2 | Very low | 28.3 | Very low | 244 Ų | 244 | 145.7 Ų | 145.7 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -73.7 | 101.4 | 167.6 | -90.4 | -172.8 | 162.8 | 127.8 | -3.2 | 111 | P668 S672 | P668-R670 PolarHBondContact O-N 3.34Å; R670-S672 PolarHBondContact O-N 3.17Å | ||
| 671 | Q | 29.1 | Very low | 28 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 69% | 0.687 | 82% | 0.821 | S | S | * | * | trans | -67.2 | 117.7 | 172.7 | -66.8 | 175.8 | -13.3 | 0 | 0 | 111 | A669 Y673 | A669-Q671 PolarHBondContact O-N 2.99Å; Q671-Y673 HydrophobicContact CB-CD2 4.4Å; Q671-Y673 HydrophobicContact CB-CE2 4.02Å; Q671-Y673 PolarHBondContact O-N 3.4Å | ||
| 672 | S | 24.1 | Very low | 27.9 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -84.6 | 97.9 | 176.6 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | R670 | R670-S672 PolarHBondContact O-N 3.17Š| ||
| 673 | Y | 25.4 | Very low | 28 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 74% | 0.737 | 82% | 0.817 | S | S | * | * | trans | -75.9 | 172.2 | 164.7 | -72.2 | -93.8 | 0 | 0 | 0 | 111.5 | Q671 | Q671-Y673 HydrophobicContact CB-CD2 4.4Å; Q671-Y673 HydrophobicContact CB-CE2 4.02Å; Q671-Y673 PolarHBondContact O-N 3.4Å | ||
| 674 | L | 26.6 | Very low | 28.2 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | trans | 85.1 | 47.3 | 176.2 | -48.9 | -177.2 | 0 | 0 | 0 | 118 | L676 | L674-L676 PolarHBondContact O-N 3.18Š| ||
| 675 | S | 29.2 | Very low | 28.2 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -88.1 | 74.9 | 152 | 45 | 0 | 0 | 0 | 0 | 111.1 | S677 | S675-S677 PolarHBondContact O-N 3.31Å; S675-S677 VanDerWaalsContact O-N 3.12Å | ||
| 676 | L | 27.3 | Very low | 28 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -77.2 | 94.6 | 176.4 | -72.6 | 173.2 | 0 | 0 | 0 | 111.3 | L674 | L674-L676 PolarHBondContact O-N 3.18Š| ||
| 677 | S | 31.1 | Very low | 27.9 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -69.5 | 123.5 | 167.9 | 41.1 | 0 | 0 | 0 | 0 | 110.7 | S675 P679 | S675-S677 PolarHBondContact O-N 3.31Å; S675-S677 VanDerWaalsContact O-N 3.12Å; S677-P679 VanDerWaalsContact O-CD 3.3Å; S677-P679 WeakPolarHBondContact O-CD 3.45Å | ||
| 678 | L | 25.5 | Very low | 27.6 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -81.5 | 112.2 | 176.3 | -79.9 | 161.1 | 0 | 0 | 0 | 110.3 | Y680 | L678-Y680 PolarHBondContact O-N 3.27Š| ||
| 679 | P | 27.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -103.3 | 69.3 | -169.5 | 37.8 | -28.5 | 0 | 0 | 0 | 111.7 | S677 | S677-P679 VanDerWaalsContact O-CD 3.3Å; S677-P679 WeakPolarHBondContact O-CD 3.45Å | ||
| 680 | Y | 26.7 | Very low | 27.4 | Very low | 222 Ų | 222 | 152.8 Ų | 152.8 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | trans | -158.3 | 73.8 | 174.7 | -107.7 | -71.4 | 0 | 0 | 0 | 112.6 | L678 | L678-Y680 PolarHBondContact O-N 3.27Š| ||
| 681 | L | 26.8 | Very low | 27.4 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 95% | 0.948 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -169.3 | 60.5 | 154.2 | -87.6 | -155.3 | 0 | 0 | 0 | 110.9 | ||
| 682 | D | 26.4 | Very low | 27.3 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -154 | 118.4 | 164.1 | -164.3 | 2.7 | 0 | 0 | 0 | 110.7 | ||||
| 683 | S | 28.7 | Very low | 27.5 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | 174.3 | 14.5 | 174.9 | 27.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 684 | V | 28 | Very low | 27.7 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 76% | 0.758 | 83% | 0.827 | S | S | * | * | trans | -138.3 | 92.5 | 168.9 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 685 | H | 31 | Very low | 27.5 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -176.2 | 69.9 | 143.3 | -95.5 | -58 | 0 | 0 | 0 | 110.6 | ||||
| 686 | N | 24.6 | Very low | 27.3 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 92% | 0.92 | 83% | 0.829 | S | S | * | * | trans | -110.5 | 83.5 | 171.9 | -111.3 | -32.3 | 0 | 0 | 0 | 110 | ||||
| 687 | I | 28.7 | Very low | 27.1 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 82% | 0.821 | 83% | 0.827 | S | S | * | * | trans | -135.6 | 101.4 | 165.9 | -57.9 | 180 | 0 | 0 | 0 | 106.3 | ||||
| 688 | G | 24 | Very low | 27 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | -84.5 | 144.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 689 | L | 31.8 | Very low | 27 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -132.1 | 137.7 | 153.5 | -79.3 | 179 | 0 | 0 | 0 | 109.2 | ||||
| 690 | T | 24.8 | Very low | 26.9 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | trans | -82.7 | 133 | -175.7 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 691 | C | 28.5 | Very low | 26.8 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -138.9 | 130.9 | 161.1 | -82.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 692 | E | 26.2 | Very low | 26.8 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 155.3 | -178.5 | -77.1 | -68.3 | 125.5 | 0 | 0 | 112.7 | ||
| 693 | P | 28.2 | Very low | 26.8 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 128 | -174.5 | 33.7 | -32.4 | 0 | 0 | 0 | 112.8 | ||
| 694 | Y | 29.3 | Very low | 26.7 | Very low | 228 Ų | 228 | 152.4 Ų | 152.4 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 125.8 | 165.8 | -87.3 | -79.2 | 0 | 0 | 0 | 111.7 | C696 | Y694-C696 PolarHBondContact O-N 3.33Š|
| 695 | S | 22.8 | Very low | 26.7 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 120.2 | 178.8 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 696 | C | 26.1 | Very low | 26.6 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -122.5 | 87.2 | 153.8 | -79.2 | 0 | 0 | 0 | 0 | 109.4 | Y694 H698 | Y694-C696 PolarHBondContact O-N 3.33Å; C696-H698 PolarHBondContact O-N 3.31Å | ||
| 697 | S | 22.1 | Very low | 26.7 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -75.5 | 98.4 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 698 | H | 30.2 | Very low | 26.7 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -124.1 | 132.3 | 156.2 | -88.6 | -59.7 | 0 | 0 | 0 | 110.9 | C696 W700 | C696-H698 PolarHBondContact O-N 3.31Å; H698-W700 PolarHBondContact O-N 3.36Å | ||
| 699 | S | 24.2 | Very low | 26.9 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -80.2 | 111.6 | -164 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 700 | W | 24.8 | Very low | 26.9 | Very low | 257 Ų | 257 | 149.8 Ų | 149.8 | 97% | 0.973 | 81% | 0.807 | S | S | * | * | trans | -87.7 | 93.2 | 145.6 | -69.5 | 90.7 | 0 | 0 | 0 | 106.9 | H698 | H698-W700 PolarHBondContact O-N 3.36Š| ||
| 701 | R | 26.6 | Very low | 27.6 | Very low | 209 Ų | 209 | 147.4 Ų | 147.4 | 79% | 0.789 | 80% | 0.795 | S | S | * | * | trans | -71.3 | 147.7 | 169.4 | -86.4 | -168.5 | 177.5 | -81.4 | 3.8 | 109.6 | D703 | R701-D703 PolarHBondContact O-N 3.35Š| ||
| 702 | D | 26 | Very low | 28.1 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | trans | -41.2 | 124.8 | 173.3 | -43.1 | -87.7 | 0 | 0 | 0 | 113.1 | ||||
| 703 | D | 27 | Very low | 28.8 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -139.2 | 62.3 | 150.9 | -135.5 | -19 | 0 | 0 | 0 | 109.2 | R701 V705 | R701-D703 PolarHBondContact O-N 3.35Å; D703-V705 PolarHBondContact O-N 3.07Å | ||
| 704 | L | 24.9 | Very low | 29.9 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -74.8 | 27.9 | -176 | -102.6 | 168.4 | 0 | 0 | 0 | 113.4 | ||||
| 705 | V | 28.7 | Very low | 30.9 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 66.7 | -173.6 | -162.3 | 0 | 0 | 0 | 0 | 112.6 | D703 | D703-V705 PolarHBondContact O-N 3.07Š| ||
| 706 | S | 28.9 | Very low | 32 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -137.5 | 126.5 | 144.7 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | T708 | S706-T708 PolarHBondContact O-N 3.46Å; S706-T708 VanDerWaalsContact O-N 3.17Å | ||
| 707 | S | 26.1 | Very low | 33.6 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -67 | 114.4 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | Q709 | S707-Q709 PolarHBondContact O-N 2.87Š| ||
| 708 | T | 28.5 | Very low | 35.1 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -71.8 | 77.5 | 173.2 | 45.5 | 0 | 0 | 0 | 0 | 109.9 | S706 Q710 | S706-T708 PolarHBondContact O-N 3.46Å; S706-T708 VanDerWaalsContact O-N 3.17Å; T708-Q710 PolarHBondContact O-N 2.85Å; T708-Q710 VanDerWaalsContact O-N 3.15Å | ||
| 709 | Q | 29.8 | Very low | 36.1 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -38.9 | 120.9 | 166.9 | -88.4 | -80.9 | -6.1 | 0 | 0 | 109.6 | S707 S711 | S707-Q709 PolarHBondContact O-N 2.87Å; Q709-S711 VanDerWaalsContact C-N 3.3Å; Q709-S711 PolarHBondContact O-N 2.94Å | ||
| 710 | Q | 31.5 | Very low | 37.5 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | trans | -67.3 | 89.2 | -173.5 | -69.2 | -177.6 | -3.7 | 0 | 0 | 109.8 | T708 G712 | T708-Q710 PolarHBondContact O-N 2.85Å; T708-Q710 VanDerWaalsContact O-N 3.15Å; Q710-G712 PolarHBondContact O-N 3.42Å | ||
| 711 | S | 40 | Very low | 39 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 57% | 0.573 | 67% | 0.666 | S | S | * | * | trans | -74.8 | 62.6 | 178.6 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | Q709 R713 | Q709-S711 VanDerWaalsContact C-N 3.3Å; Q709-S711 PolarHBondContact O-N 2.94Å; S711-R713 PolarHBondContact O-N 2.94Å; S711-R713 WeakPolarHBondContact OG-CD 3.46Å; S711-R713 WeakPolarHBondContact OG-CG 3.23Å; S711-R713 PolarHBondContact OG-NE 2.82Å; S711-R713 VanDerWaalsContact OG-NE 3.11Å | ||
| 712 | G | 37.7 | Very low | 40.4 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 65% | 0.654 | S | S | * | * | trans | -67.6 | 54.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q710 S714 | Q710-G712 PolarHBondContact O-N 3.42Å; G712-S714 VanDerWaalsContact C-N 3.33Å; G712-S714 PolarHBondContact O-N 3.21Å | ||
| 713 | R | 42.5 | Very low | 41.3 | Very low | 164 Ų | 164 | 117.6 Ų | 117.6 | 62% | 0.619 | 65% | 0.645 | S | S | * | * | trans | -70.9 | 90.2 | 178.5 | -71.7 | -179.8 | -168.5 | -142.6 | -2.3 | 108.7 | S711 S717 | S711-R713 PolarHBondContact O-N 2.94Å; S711-R713 WeakPolarHBondContact OG-CD 3.46Å; S711-R713 WeakPolarHBondContact OG-CG 3.23Å; S711-R713 PolarHBondContact OG-NE 2.82Å; S711-R713 VanDerWaalsContact OG-NE 3.11Å; R713-S717 VanDerWaalsContact C-OG 3.3Å; R713-S717 VanDerWaalsContact CA-OG 3.29Å; R713-S717 WeakPolarHBondContact CA-OG 3.35Å; R713-S717 WeakPolarHBondContact CB-OG 3.43Å | ||
| 714 | S | 50 | Low | 42.5 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 52% | 0.517 | 64% | 0.639 | S | S | . | * | trans | -39 | 142.5 | 166 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | G712 L716 S717 H718 | G712-S714 VanDerWaalsContact C-N 3.33Å; G712-S714 PolarHBondContact O-N 3.21Å; S714-L716 PolarHBondContact O-N 2.87Å; S714-L716 PolarHBondContact OG-N 3.34Å; S714-S717 PolarHBondContact N-OG 3.3Å; S714-S717 WeakPolarHBondContact O-CA 3.33Å; S714-S717 WeakPolarHBondContact O-CB 3.47Å; S714-S717 PolarHBondContact O-N 2.92Å; S714-S717 PolarHBondContact O-OG 2.98Å; S714-H718 PolarHBondContact O-N 2.93Å | ||
| 715 | L | 50.8 | Low | 43 | Very low | 157 Ų | 157 | 113.3 Ų | 113.3 | 82% | 0.822 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -53.2 | -31.4 | -179.9 | -154.9 | 106.6 | 0 | 0 | 0 | 112.1 | H718 Y719 | L715-H718 PolarHBondContact O-N 2.91Å; L715-Y719 PolarHBondContact O-N 3.45Å |
| 716 | L | 46.6 | Very low | 43.7 | Very low | 134 Ų | 134 | 109.9 Ų | 109.9 | 70% | 0.702 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65 | -37.6 | 174.1 | -169.1 | 67.7 | 0 | 0 | 0 | 112.7 | S714 Y719 A720 | S714-L716 PolarHBondContact O-N 2.87Å; S714-L716 PolarHBondContact OG-N 3.34Å; L716-Y719 PolarHBondContact O-N 2.89Å; L716-A720 WeakPolarHBondContact O-CB 3.2Å; L716-A720 PolarHBondContact O-N 3.09Å |
| 717 | S | 59.8 | Low | 44.1 | Very low | 38 Ų | 38 | 113.7 Ų | 113.7 | 27% | 0.266 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.5 | -30.3 | 173.9 | 75 | 0 | 0 | 0 | 0 | 112.5 | R713 S714 N721 | R713-S717 VanDerWaalsContact C-OG 3.3Å; R713-S717 VanDerWaalsContact CA-OG 3.29Å; R713-S717 WeakPolarHBondContact CA-OG 3.35Å; R713-S717 WeakPolarHBondContact CB-OG 3.43Å; S714-S717 PolarHBondContact N-OG 3.3Å; S714-S717 WeakPolarHBondContact O-CA 3.33Å; S714-S717 WeakPolarHBondContact O-CB 3.47Å; S714-S717 PolarHBondContact O-N 2.92Å; S714-S717 PolarHBondContact O-OG 2.98Å; S717-N721 WeakPolarHBondContact O-CB 3.2Å; S717-N721 PolarHBondContact O-N 3.3Å; S717-N721 PolarHBondContact O-ND2 2.92Å |
| 718 | H | 51.8 | Low | 44.5 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.1 | -40.7 | 169.7 | -167.1 | -60.2 | 0 | 0 | 0 | 110.7 | S714 L715 N721 Y722 | S714-H718 PolarHBondContact O-N 2.93Å; L715-H718 PolarHBondContact O-N 2.91Å; H718-N721 PolarHBondContact O-N 3.43Å; H718-Y722 WeakPolarHBondContact O-CB 3.37Å; H718-Y722 PolarHBondContact O-N 3.29Å |
| 719 | Y | 52.4 | Low | 44.7 | Very low | 138 Ų | 138 | 114.1 Ų | 114.1 | 54% | 0.541 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -42 | 175.5 | -169.2 | -109.9 | 0 | 0 | 0 | 112.4 | L715 L716 N721 Y722 L723 | L715-Y719 PolarHBondContact O-N 3.45Å; L716-Y719 PolarHBondContact O-N 2.89Å; Y719-N721 VanDerWaalsContact C-N 3.34Å; Y719-N721 PolarHBondContact O-N 3.45Å; Y719-Y722 PolarHBondContact O-N 2.95Å; Y719-L723 HydrophobicContact CD1-CD1 3.97Å; Y719-L723 HydrophobicContact CD1-CG 4.38Å; Y719-L723 HydrophobicContact CE1-CD1 3.59Å; Y719-L723 HydrophobicContact CE1-CD2 4.49Å; Y719-L723 HydrophobicContact CE1-CG 4.1Å; Y719-L723 WeakPolarHBondContact O-CG 3.47Å; Y719-L723 PolarHBondContact O-N 3.02Å |
| 720 | A | 52.3 | Low | 44.7 | Very low | 44 Ų | 44 | 114.5 Ų | 114.5 | 36% | 0.364 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.5 | -39 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L716 L723 N724 | L716-A720 WeakPolarHBondContact O-CB 3.2Å; L716-A720 PolarHBondContact O-N 3.09Å; A720-L723 PolarHBondContact O-N 3.35Å; A720-N724 WeakPolarHBondContact O-CB 3.37Å; A720-N724 PolarHBondContact O-N 3.37Å |
| 721 | N | 57.6 | Low | 44.7 | Very low | 62 Ų | 62 | 111.6 Ų | 111.6 | 33% | 0.332 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.9 | -39.4 | 172.2 | -82.7 | -66.8 | 0 | 0 | 0 | 112.2 | S717 H718 Y719 N724 N725 | S717-N721 WeakPolarHBondContact O-CB 3.2Å; S717-N721 PolarHBondContact O-N 3.3Å; S717-N721 PolarHBondContact O-ND2 2.92Å; H718-N721 PolarHBondContact O-N 3.43Å; Y719-N721 VanDerWaalsContact C-N 3.34Å; Y719-N721 PolarHBondContact O-N 3.45Å; N721-N724 PolarHBondContact O-N 3.47Å; N721-N725 WeakPolarHBondContact O-CA 3.46Å; N721-N725 VanDerWaalsContact O-CB 3.28Å; N721-N725 WeakPolarHBondContact O-CB 3.27Å; N721-N725 PolarHBondContact O-N 3.12Å; N721-N725 PolarHBondContact OD1-ND2 3.43Å |
| 722 | Y | 55.2 | Low | 44.3 | Very low | 136 Ų | 136 | 111.9 Ų | 111.9 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.5 | -40.1 | 176.5 | -171.7 | -99.2 | 0 | 0 | 0 | 112.2 | H718 Y719 D726 | H718-Y722 WeakPolarHBondContact O-CB 3.37Å; H718-Y722 PolarHBondContact O-N 3.29Å; Y719-Y722 PolarHBondContact O-N 2.95Å; Y722-D726 WeakPolarHBondContact CD2-OD2 3.44Å; Y722-D726 WeakPolarHBondContact CE2-OD2 3.46Å |
| 723 | L | 45.3 | Very low | 44 | Very low | 93 Ų | 93 | 112.5 Ų | 112.5 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.2 | -38.8 | 173.6 | -69.2 | 179.5 | 0 | 0 | 0 | 112.7 | Y719 A720 | Y719-L723 HydrophobicContact CD1-CD1 3.97Å; Y719-L723 HydrophobicContact CD1-CG 4.38Å; Y719-L723 HydrophobicContact CE1-CD1 3.59Å; Y719-L723 HydrophobicContact CE1-CD2 4.49Å; Y719-L723 HydrophobicContact CE1-CG 4.1Å; Y719-L723 WeakPolarHBondContact O-CG 3.47Å; Y719-L723 PolarHBondContact O-N 3.02Å; A720-L723 PolarHBondContact O-N 3.35Å |
| 724 | N | 51.2 | Low | 43.5 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -85.2 | -28 | -176.1 | -71.9 | 5 | 0 | 0 | 0 | 114.4 | A720 N721 | A720-N724 WeakPolarHBondContact O-CB 3.37Å; A720-N724 PolarHBondContact O-N 3.37Å; N721-N724 PolarHBondContact O-N 3.47Å |
| 725 | N | 37 | Very low | 42.5 | Very low | 96 Ų | 96 | 114 Ų | 114 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -126.8 | 15.6 | -162.4 | -67.2 | -49.9 | 0 | 0 | 0 | 116.9 | N721 S729 | N721-N725 WeakPolarHBondContact O-CA 3.46Å; N721-N725 VanDerWaalsContact O-CB 3.28Å; N721-N725 WeakPolarHBondContact O-CB 3.27Å; N721-N725 PolarHBondContact O-N 3.12Å; N721-N725 PolarHBondContact OD1-ND2 3.43Å; N725-S729 PolarHBondContact O-OG 3.02Å |
| 726 | D | 42 | Very low | 41.5 | Very low | 58 Ų | 58 | 113.7 Ų | 113.7 | 31% | 0.31 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -115.6 | -9.2 | 170.5 | -95.4 | -58.2 | 0 | 0 | 0 | 114.7 | Y722 R730 | Y722-D726 WeakPolarHBondContact CD2-OD2 3.44Å; Y722-D726 WeakPolarHBondContact CE2-OD2 3.46Å; D726-R730 WeakPolarHBondContact OD1-CD 3.17Å; D726-R730 IonicContact OD1-CZ 3.21Å; D726-R730 IonicContact OD1-NE 2.74Å; D726-R730 IonicContact OD1-NH1 3.71Å; D726-R730 PolarHBondContact OD1-NH1 2.86Å; D726-R730 IonicContact OD2-NH1 3.68Å |
| 727 | F | 38.5 | Very low | 40.7 | Very low | 184 Ų | 184 | 117.5 Ų | 117.5 | 81% | 0.807 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -87 | -13.1 | -176.4 | -95 | -74.3 | 0 | 0 | 0 | 116.7 | ||
| 728 | L | 34.4 | Very low | 39.1 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 93% | 0.927 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -134.4 | 5.9 | -173.1 | -71.2 | 176.8 | 0 | 0 | 0 | 115.8 | ||
| 729 | S | 33.2 | Very low | 38 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 52% | 0.517 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -134.7 | 15 | -167.7 | 54.3 | 0 | 0 | 0 | 0 | 116.1 | N725 | N725-S729 PolarHBondContact O-OG 3.02Š|
| 730 | R | 29.8 | Very low | 36.9 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | trans | -134 | 77.6 | 176.6 | -74 | -174.6 | 162 | 161.9 | -10.1 | 116.5 | D726 | D726-R730 WeakPolarHBondContact OD1-CD 3.17Å; D726-R730 IonicContact OD1-CZ 3.21Å; D726-R730 IonicContact OD1-NE 2.74Å; D726-R730 IonicContact OD1-NH1 3.71Å; D726-R730 PolarHBondContact OD1-NH1 2.86Å; D726-R730 IonicContact OD2-NH1 3.68Å | ||
| 731 | P | 31.4 | Very low | 36 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -86.6 | -13.2 | 162.5 | -11.5 | 30 | 0 | 0 | 0 | 114.5 | ||
| 732 | S | 31.6 | Very low | 34.6 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | trans | -93.2 | -5.2 | -160.9 | 50 | 0 | 0 | 0 | 0 | 116.9 | V734 | S732-V734 PolarHBondContact O-N 2.98Š| ||
| 733 | A | 30.7 | Very low | 33.4 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 27.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 734 | V | 31.5 | Very low | 32.6 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 0.8 | -175.1 | -161.2 | 0 | 0 | 0 | 0 | 113 | S732 | S732-V734 PolarHBondContact O-N 2.98Š|
| 735 | N | 29.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -105.4 | -11.4 | -169.4 | -117.2 | 42.7 | 0 | 0 | 0 | 117 | Y737 | N735-Y737 VanDerWaalsContact C-N 3.34Å; N735-Y737 PolarHBondContact O-N 2.98Å |
| 736 | D | 29.4 | Very low | 31.4 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 7.2 | -170.2 | -68.6 | -25.6 | 0 | 0 | 0 | 115.5 | ||
| 737 | Y | 29 | Very low | 30.5 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 29.7 | -177.8 | -83.1 | -77.5 | 0 | 0 | 0 | 115.5 | N735 | N735-Y737 VanDerWaalsContact C-N 3.34Å; N735-Y737 PolarHBondContact O-N 2.98Å |
| 738 | Y | 27.1 | Very low | 30 | Very low | 229 Ų | 229 | 145.9 Ų | 145.9 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -133.4 | 69.5 | 161.4 | -86.8 | -77.6 | 0 | 0 | 0 | 111.7 | ||||
| 739 | R | 29.6 | Very low | 29.5 | Very low | 246 Ų | 246 | 145.8 Ų | 145.8 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | trans | -88.4 | 121.5 | 162.6 | -169.5 | 175.4 | -172.1 | 172.8 | 3 | 108.6 | ||||
| 740 | S | 28.5 | Very low | 29.2 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -57.5 | 142.5 | -173.2 | -48.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 741 | A | 32.6 | Very low | 29.1 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -130 | 43.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S743 | A741-S743 PolarHBondContact O-N 3.27Å; A741-S743 VanDerWaalsContact O-N 3.13Å | ||
| 742 | D | 28 | Very low | 28.7 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -76.9 | 88.7 | 173.1 | -67.5 | -62.3 | 0 | 0 | 0 | 110.6 | ||||
| 743 | S | 30.9 | Very low | 28.3 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -150.7 | 86.8 | 161 | 66 | 0 | 0 | 0 | 0 | 111.8 | A741 | A741-S743 PolarHBondContact O-N 3.27Å; A741-S743 VanDerWaalsContact O-N 3.13Å | ||
| 744 | P | 29.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -70.4 | 130.8 | 163 | 30.3 | -32.1 | 0 | 0 | 0 | 109.4 | ||||
| 745 | I | 34.1 | Very low | 27.8 | Very low | 154 Ų | 154 | 158.8 Ų | 158.8 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -133.9 | 133.7 | 167.8 | -62 | -177.6 | 0 | 0 | 0 | 107 | ||||
| 746 | D | 26.9 | Very low | 27.8 | Very low | 153 Ų | 153 | 161.6 Ų | 161.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -74.6 | 154.4 | -159.2 | -66.4 | -71.2 | 0 | 0 | 0 | 116.2 | ||||
| 747 | Y | 23.6 | Very low | 27.7 | Very low | 239 Ų | 239 | 159.6 Ų | 159.6 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -73 | 127.8 | 164.3 | -71.2 | -99.9 | 0 | 0 | 0 | 110.2 | ||||
| 748 | S | 28.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 157 Ų | 157 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -123.4 | 124.8 | 164 | -172.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 749 | L | 24.6 | Very low | 27.8 | Very low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -125.7 | 67.4 | -166.7 | -170.9 | 81.7 | 0 | 0 | 0 | 112 | ||||
| 750 | S | 26.1 | Very low | 27.9 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -168.5 | 153.5 | 162.2 | 64.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 751 | Q | 27.3 | Very low | 28.1 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | cis | -139.4 | 165.2 | 22.2 | -71 | 180 | -18 | 0 | 0 | 112.7 | ||||
| 752 | P | 23.5 | Very low | 27.7 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -101.2 | 172.5 | 177.1 | 40.3 | -35.9 | 0 | 0 | 0 | 114.5 | ||||
| 753 | Y | 23.3 | Very low | 27.9 | Very low | 205 Ų | 205 | 149.6 Ų | 149.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 61.1 | 111.3 | 166.6 | -64.6 | -74.5 | 0 | 0 | 0 | 119.2 | ||||
| 754 | F | 28.6 | Very low | 27.6 | Very low | 214 Ų | 214 | 150.3 Ų | 150.3 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -135.2 | 125.9 | 131.4 | -120 | -83 | 0 | 0 | 0 | 110.1 | ||||
| 755 | M | 23.2 | Very low | 27.7 | Very low | 156 Ų | 156 | 151.2 Ų | 151.2 | 77% | 0.768 | 80% | 0.802 | S | S | * | * | trans | -83.5 | 139.3 | 177.3 | -66.7 | 165.9 | 64.8 | 0 | 0 | 110.1 | ||||
| 756 | K | 30.3 | Very low | 27.3 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -128.1 | 100.1 | 158.5 | -81 | -169.2 | 173.3 | -177.6 | 0 | 109.5 | ||||
| 757 | S | 27 | Very low | 27.3 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -80.7 | 111.9 | 170.9 | 50.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 758 | N | 31.7 | Very low | 27.6 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -97.3 | 121.5 | 158 | -74.3 | 7.4 | 0 | 0 | 0 | 107.4 | ||||
| 759 | A | 25.1 | Very low | 27.4 | Very low | 82 Ų | 82 | 145.1 Ų | 145.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -89.4 | -163.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 760 | D | 31.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 67.8 | 83.7 | 161.5 | -49.6 | -30.6 | 0 | 0 | 0 | 117.4 | ||||
| 761 | Q | 33.2 | Very low | 27.8 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | -172 | 117.2 | 102.8 | -96.9 | 149.9 | 99 | 0 | 0 | 114 | |||||
| 762 | L | 24.5 | Very low | 27.7 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -83.9 | 174.3 | 148.5 | -110.3 | 74.5 | 0 | 0 | 0 | 108.5 | ||||
| 763 | P | 31.4 | Very low | 28 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | cis | -136.6 | 155.8 | 14 | 39 | -20.2 | 0 | 0 | 0 | 118.3 | ||||
| 764 | S | 25.7 | Very low | 28.1 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 37 | 108.8 | 132.6 | -48.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 765 | T | 30.3 | Very low | 27.9 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -131.2 | 97.1 | 152.6 | -50 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 766 | A | 26.9 | Very low | 28.1 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 63% | 0.628 | 80% | 0.802 | S | S | * | * | 85 | 109.8 | 72.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 767 | Y | 25.5 | Very low | 27.7 | Very low | 234 Ų | 234 | 133.1 Ų | 133.1 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | trans | 62 | 142.6 | 171 | -68 | -94.5 | 0 | 0 | 0 | 117.2 | ||||
| 768 | A | 30.1 | Very low | 27.6 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | cis | -148.3 | 151.5 | 9.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 769 | P | 25.8 | Very low | 27.3 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -89.2 | 138.9 | 169.9 | 34.6 | -31.5 | 0 | 0 | 0 | 111.9 | ||||
| 770 | G | 28.1 | Very low | 27.5 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -150.6 | 108.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 771 | Q | 30.4 | Very low | 27.2 | Very low | 201 Ų | 201 | 133.5 Ų | 133.5 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | 58 | 125.6 | 159 | -61.9 | -175.5 | -10.3 | 0 | 0 | 119.7 | ||||
| 772 | A | 24.2 | Very low | 27 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -120.3 | 128.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 773 | S | 30.1 | Very low | 27.1 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -157.5 | 103.4 | 162.5 | 51.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 774 | Q | 26.6 | Very low | 26.8 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | 69.2 | 125.5 | 78.6 | -162.7 | 173.9 | 35.6 | 0 | 0 | 112.1 | |||||
| 775 | A | 23.8 | Very low | 26.8 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -87.7 | 151.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 776 | S | 26.6 | Very low | 26.6 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -143.2 | 128.1 | 157.8 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 777 | L | 22.9 | Very low | 26.7 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 98% | 0.979 | 83% | 0.827 | S | S | * | * | trans | -95.1 | 115.9 | 162.2 | -81.8 | 160.4 | 0 | 0 | 0 | 106.9 | ||||
| 778 | S | 25.6 | Very low | 26.7 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -138.8 | 127.3 | 174.3 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 779 | A | 24.6 | Very low | 26.7 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -72.9 | 145.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 780 | L | 30 | Very low | 26.9 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -124 | 119.1 | 157.1 | -82.6 | 174.6 | 0 | 0 | 0 | 109.3 | ||||
| 781 | T | 24.8 | Very low | 26.8 | Very low | 123 Ų | 123 | 139 Ų | 139 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -80 | 130.3 | 176.6 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 782 | N | 30.1 | Very low | 26.5 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | -148.4 | 90.1 | 160 | -100.9 | -35.5 | 0 | 0 | 0 | 112.1 | ||||
| 783 | T | 25.2 | Very low | 26.7 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | 35.4 | 146.1 | 119.5 | -28.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 784 | V | 25.9 | Very low | 26.6 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 99.5 | 96.2 | 159.2 | -169.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 785 | C | 24.6 | Very low | 26.7 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 91% | 0.905 | 81% | 0.813 | S | S | * | * | trans | 53 | 132.2 | 131.7 | -153.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 786 | G | 26.5 | Very low | 26.7 | Very low | 72 Ų | 72 | 150.5 Ų | 150.5 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 177.4 | 24.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 787 | H | 29.1 | Very low | 26.8 | Very low | 195 Ų | 195 | 153.5 Ų | 153.5 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | 64 | 172.8 | 177.2 | -98.2 | -71.7 | 0 | 0 | 0 | 118.5 | ||||
| 788 | L | 25.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -109.4 | 161 | -154.7 | -113.9 | 71.6 | 0 | 0 | 0 | 115.1 | ||||
| 789 | P | 30.4 | Very low | 27.2 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -117.2 | 168 | -177.8 | 42.3 | -32.2 | 0 | 0 | 0 | 115.4 | ||||
| 790 | S | 29.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 154.5 Ų | 154.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -157.3 | 118.4 | 145.6 | 51.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 791 | R | 27.2 | Very low | 27.1 | Very low | 232 Ų | 232 | 151.5 Ų | 151.5 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | 57.8 | 97.2 | 54.6 | -72.7 | -157.5 | -179.9 | -167.5 | 3.6 | 114.5 | |||||
| 792 | Y | 24.5 | Very low | 27.1 | Very low | 239 Ų | 239 | 152.1 Ų | 152.1 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | trans | -127.2 | 91.5 | 146.7 | -100.9 | -88.1 | 0 | 0 | 0 | 107.8 | ||||
| 793 | D | 28.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | trans | -155.3 | 127 | 162.6 | -165 | 20.5 | 0 | 0 | 0 | 109.7 | ||||
| 794 | R | 26.4 | Very low | 27.5 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | 53 | 129.9 | 171.1 | -30.9 | -176.6 | -160.4 | -179.8 | 6.3 | 119.5 | ||||
| 795 | Y | 29.9 | Very low | 27.5 | Very low | 236 Ų | 236 | 149.3 Ų | 149.3 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | -160.1 | 169.2 | 107.6 | -103.3 | -68.6 | 0 | 0 | 0 | 110.6 | |||||
| 796 | M | 23.1 | Very low | 27.7 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -101.9 | 158.8 | -179.2 | -88.6 | -77 | -163.8 | 0 | 0 | 111.8 | ||||
| 797 | E | 29.6 | Very low | 27.7 | Very low | 171 Ų | 171 | 152.1 Ų | 152.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | 5.8 | 159.4 | 138.5 | -93.7 | 177.8 | -139.1 | 0 | 0 | 121.6 | ||||
| 798 | P | 30.3 | Very low | 27.5 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | cis | -145.6 | -161.4 | 0.1 | 38.9 | -15.9 | 0 | 0 | 0 | 116.2 | ||||
| 799 | I | 26.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | trans | 88.6 | 108.1 | 147.2 | -79.4 | 171.1 | 0 | 0 | 0 | 121.7 | ||||
| 800 | E | 25.4 | Very low | 27.6 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 70.2 | 156.5 | 132.4 | -60.5 | -179.4 | 167.7 | 0 | 0 | 126.1 | ||||
| 801 | S | 27.1 | Very low | 27.6 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 82.7 | 89 | 164.7 | 65.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 802 | V | 24.6 | Very low | 27.7 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | 21.2 | 142.8 | 110.9 | -176.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 803 | P | 34.6 | Very low | 28 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | cis | -124.8 | 173.6 | 1.6 | 31.7 | -12.2 | 0 | 0 | 0 | 115.5 | ||||
| 804 | P | 28.6 | Very low | 28 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -87.6 | 119.9 | 174.5 | 33.3 | -32.5 | 0 | 0 | 0 | 113.7 | ||||
| 805 | S | 25.7 | Very low | 28.2 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -151.5 | 78 | 169.8 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 806 | A | 28.7 | Very low | 28.1 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -133.7 | 103.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 807 | L | 26.7 | Very low | 28.5 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | 74.5 | 73.8 | 85.2 | -71.5 | 168.5 | 0 | 0 | 0 | 113.5 | |||||
| 808 | C | 26 | Very low | 28.1 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -108.9 | 148.3 | 143.7 | -81.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 809 | P | 30.5 | Very low | 27.9 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -89 | 154.3 | -159.8 | -8.3 | 28.1 | 0 | 0 | 0 | 114.5 | ||||
| 810 | S | 25.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -87.1 | 139.8 | 168.9 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 811 | S | 30.1 | Very low | 28 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -148.8 | 121.4 | 161.3 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 812 | D | 28.8 | Very low | 28.2 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -65.1 | 150.3 | -165.2 | -47.9 | -78.5 | 0 | 0 | 0 | 115.3 | ||||
| 813 | F | 32.2 | Very low | 28.3 | Very low | 220 Ų | 220 | 146 Ų | 146 | 97% | 0.965 | 81% | 0.814 | S | S | * | * | trans | -140.6 | 94.3 | 147.7 | -106.3 | -75.4 | 0 | 0 | 0 | 109.7 | ||||
| 814 | D | 27.8 | Very low | 28 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 68% | 0.684 | 82% | 0.815 | S | S | * | * | trans | -85.2 | 122.3 | -178.1 | -169.9 | 0.2 | 0 | 0 | 0 | 110.8 | ||||
| 815 | R | 31.4 | Very low | 28 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -151.8 | 99.9 | 166.8 | -132.9 | 179.2 | -168.6 | -159 | 1.6 | 113.1 | ||||
| 816 | K | 26.9 | Very low | 28 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -65.9 | 132.1 | 172.1 | -60.4 | 168 | -175.4 | 169.7 | 0 | 111.8 | ||||
| 817 | T | 30.6 | Very low | 28 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -145.5 | 142.4 | 138.7 | 9.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 818 | Q | 22.5 | Very low | 28.1 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -122.8 | 126 | -168.3 | 177.5 | -176.3 | 14.1 | 0 | 0 | 108.7 | Q820 | Q818-Q820 HydrophobicContact CG-CG 4.24Š| ||
| 819 | W | 25.1 | Very low | 28.4 | Very low | 249 Ų | 249 | 148.1 Ų | 148.1 | 94% | 0.943 | 79% | 0.792 | S | S | * | * | trans | -125.1 | 124.5 | 166.8 | -76.9 | 103.3 | 0 | 0 | 0 | 109 | ||||
| 820 | Q | 25.8 | Very low | 28.3 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | trans | -95.7 | 145.4 | -171.7 | -65.3 | 173.5 | -16 | 0 | 0 | 110.7 | Q818 | Q818-Q820 HydrophobicContact CG-CG 4.24Š| ||
| 821 | T | 29 | Very low | 28.7 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -84.6 | 134.3 | 165.1 | 36.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 822 | P | 31 | Very low | 28.7 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -125.4 | 115 | 162.3 | 33.6 | -18.7 | 0 | 0 | 0 | 111.4 | ||||
| 823 | A | 27.8 | Very low | 28.5 | Very low | 105 Ų | 105 | 155 Ų | 155 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -150.5 | 96.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 824 | P | 28.3 | Very low | 28.5 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -120.5 | 170.2 | 164.1 | 38.3 | -26.9 | 0 | 0 | 0 | 112.7 | ||||
| 825 | T | 28.4 | Very low | 28.4 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 72.4 | 152.2 | 171.3 | 81.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 826 | L | 25.2 | Very low | 28.2 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | -162.7 | 158.5 | -4 | -145.8 | 48.8 | 0 | 0 | 0 | 110.6 | ||||
| 827 | F | 28.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 74% | 0.737 | 78% | 0.778 | S | S | * | * | trans | 60.1 | 157 | 164.5 | -60.7 | -57.2 | 0 | 0 | 0 | 118.1 | ||||
| 828 | D | 29.1 | Very low | 28 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | cis | -150.6 | 162.6 | -16.6 | -119.1 | -21.7 | 0 | 0 | 0 | 109.8 | ||||
| 829 | P | 30.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -108.4 | 144.4 | -179 | 37.9 | -28.9 | 0 | 0 | 0 | 114.2 | ||||
| 830 | E | 28.8 | Very low | 28.3 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -155.4 | 157.6 | 163.7 | -136.7 | 179.7 | -156.6 | 0 | 0 | 115.2 | ||||
| 831 | L | 34.1 | Very low | 28.3 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 71.9 | 80.8 | 164 | -55.4 | -174.7 | 0 | 0 | 0 | 121.2 | ||||
| 832 | M | 29.7 | Very low | 28.1 | Very low | 171 Ų | 171 | 143 Ų | 143 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | 78.3 | 135.5 | 120.2 | -61.5 | -141.7 | 73.7 | 0 | 0 | 122.2 | |||||
| 833 | E | 26.2 | Very low | 28.1 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -79.7 | 160.8 | 179.9 | -55.1 | 161 | 149.3 | 0 | 0 | 112.6 | ||||
| 834 | T | 31.2 | Very low | 27.9 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | trans | -148.7 | 121.7 | 136.4 | -29.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 835 | E | 25.3 | Very low | 28.1 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -75.5 | 149.3 | -177.9 | -55 | 177.9 | 117.2 | 0 | 0 | 111.8 | ||||
| 836 | F | 28.5 | Very low | 28.1 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -142.6 | 140.4 | 139 | -134.3 | -88.6 | 0 | 0 | 0 | 111.6 | ||||
| 837 | N | 27.6 | Very low | 28 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -84.1 | 142 | -161.6 | -76.1 | -81.9 | 0 | 0 | 0 | 113.8 | ||||
| 838 | A | 25.6 | Very low | 28.3 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | 55.5 | 170 | 129.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 839 | E | 25 | Very low | 28 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | cis | -156.9 | -179.3 | 9.8 | -154.1 | -179.1 | 171.4 | 0 | 0 | 111.5 | ||||
| 840 | V | 27.4 | Very low | 27.9 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | 72.1 | 110.2 | 162.1 | -172.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 841 | S | 26.4 | Very low | 27.7 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 161.8 | 174.5 | 51 | 0 | 0 | 0 | 0 | 115.4 | ||
| 842 | R | 24.2 | Very low | 27.5 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 135 | 165.6 | -58.9 | 169.2 | 179 | 155.4 | -2.4 | 111.6 | ||
| 843 | P | 30.8 | Very low | 27.2 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 144.2 | 163.7 | 31 | -33 | 0 | 0 | 0 | 111.2 | ||
| 844 | K | 25.5 | Very low | 27.4 | Very low | 211 Ų | 211 | 145.1 Ų | 145.1 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -117.3 | 114.4 | 168 | -80.6 | -175.6 | 177.4 | 178.7 | 0 | 110 | ||||
| 845 | S | 32.4 | Very low | 27.1 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -154.4 | 144.7 | 161.5 | 51.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 846 | G | 28 | Very low | 27.2 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | 145.4 | 77.5 | 6.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 847 | G | 23.3 | Very low | 27.1 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -93.7 | 142.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 848 | P | 34 | Very low | 27.3 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -114.9 | 117.6 | 163.9 | 34.5 | -22.6 | 0 | 0 | 0 | 112.8 | ||||
| 849 | L | 23.5 | Very low | 27.5 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | 39.8 | 150.1 | 128.9 | -148.2 | 72.3 | 0 | 0 | 0 | 122.7 | |||||
| 850 | V | 28.5 | Very low | 27.5 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | trans | 103 | 107.2 | 157.8 | -170.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 851 | E | 25.2 | Very low | 27.6 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -103.9 | 137.7 | 164.5 | 160.6 | 175.2 | -138.8 | 0 | 0 | 107.9 | ||||
| 852 | P | 29.3 | Very low | 27.4 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | -150 | 143.6 | 115.1 | 34.3 | -15.9 | 0 | 0 | 0 | 117.1 | |||||
| 853 | Y | 22.9 | Very low | 27.9 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 19.3 | 129.1 | 145.9 | -60.6 | -83.2 | 0 | 0 | 0 | 121.8 | ||||
| 854 | F | 31.4 | Very low | 27.6 | Very low | 204 Ų | 204 | 154.6 Ų | 154.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | -146.7 | 139.9 | 124.8 | -112.6 | -75 | 0 | 0 | 0 | 111.9 | |||||
| 855 | R | 23.6 | Very low | 27.9 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -132.5 | 108.8 | -175.2 | -167.1 | -170.4 | -160.5 | -164.6 | 9.1 | 110 | ||||
| 856 | Q | 28.9 | Very low | 27.6 | Very low | 137 Ų | 137 | 150.9 Ų | 150.9 | 64% | 0.64 | 79% | 0.794 | S | S | * | * | trans | -134.7 | 97.2 | 171.7 | -74.8 | -160.7 | 7.2 | 0 | 0 | 112.1 | ||||
| 857 | S | 26.4 | Very low | 27.7 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 124 | 159.7 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 858 | R | 31.3 | Very low | 27.9 | Very low | 216 Ų | 216 | 158.8 Ų | 158.8 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 144.4 | 171.4 | -66.8 | -169.5 | -176.2 | -172.7 | 2.7 | 111.2 | ||
| 859 | V | 28.9 | Very low | 27.7 | Very low | 139 Ų | 139 | 158.6 Ų | 158.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 152.6 | -168.4 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 860 | A | 24.8 | Very low | 28.1 | Very low | 94 Ų | 94 | 154.2 Ų | 154.2 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 146.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 861 | Q | 29.7 | Very low | 28 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -115.9 | 144.5 | 161.5 | -71.2 | -172.4 | -16.2 | 0 | 0 | 109.5 | ||||
| 862 | R | 23.6 | Very low | 28.2 | Very low | 230 Ų | 230 | 155.7 Ų | 155.7 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -135.4 | 95.6 | -166.4 | -174.2 | -175.6 | -169 | 176.7 | 5 | 109.7 | ||||
| 863 | P | 34.2 | Very low | 28.1 | Very low | 130 Ų | 130 | 159 Ų | 159 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | trans | -63.1 | 145.9 | 175.2 | -20.9 | 33.5 | 0 | 0 | 0 | 111.5 | ||||
| 864 | K | 24.4 | Very low | 28.1 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | trans | -122.9 | 121.5 | 167.4 | -70.8 | -177.1 | 178.7 | -178.6 | 0 | 108.7 | ||||
| 865 | H | 32.5 | Very low | 28.1 | Very low | 177 Ų | 177 | 155.4 Ų | 155.4 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -162 | 121.6 | 153.1 | -93.9 | -68.2 | 0 | 0 | 0 | 104 | ||||
| 866 | S | 25.6 | Very low | 28.1 | Very low | 77 Ų | 77 | 154.2 Ų | 154.2 | 54% | 0.538 | 79% | 0.792 | S | S | . | * | cis | 84.9 | 123 | 30.5 | 96.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 867 | D | 29.4 | Very low | 28.1 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | trans | 97.9 | 114.1 | 145.3 | -47 | -38 | 0 | 0 | 0 | 121 | ||||
| 868 | F | 27.6 | Very low | 28 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | 76.3 | 135.6 | 160.2 | -61.5 | -70.1 | 0 | 0 | 0 | 122.7 | ||||
| 869 | P | 29.8 | Very low | 28 | Very low | 117 Ų | 117 | 154.6 Ų | 154.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -96.9 | 173.2 | 175.9 | 40.7 | -35.4 | 0 | 0 | 0 | 113 | ||||
| 870 | G | 32 | Very low | 27.7 | Very low | 74 Ų | 74 | 154 Ų | 154 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -143.3 | 138.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 871 | D | 27.4 | Very low | 27.8 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -89 | -172.9 | -168.4 | -65.8 | -71.2 | 0 | 0 | 0 | 114.8 | ||||
| 872 | F | 29.4 | Very low | 27.6 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 77% | 0.772 | 79% | 0.793 | S | S | * | * | trans | 92.5 | 107.5 | 162.8 | -88 | -94.6 | 0 | 0 | 0 | 121 | ||||
| 873 | E | 25.8 | Very low | 27.7 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 51.4 | 114.6 | 138.8 | -67 | -170.1 | 151.8 | 0 | 0 | 121 | ||||
| 874 | G | 23.3 | Very low | 27.5 | Very low | 77 Ų | 77 | 153.8 Ų | 153.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 153.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 875 | R | 30.9 | Very low | 27.7 | Very low | 247 Ų | 247 | 151 Ų | 151 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -124.7 | 108.5 | 157.7 | -71.4 | -172.8 | 175.7 | -172.5 | -1.2 | 109.5 | G877 | R875-G877 PolarHBondContact O-N 3.22Š| ||
| 876 | Y | 24.8 | Very low | 27.2 | Very low | 213 Ų | 213 | 151.4 Ų | 151.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -64.9 | 127.4 | 167.7 | -84.8 | -90.9 | 0 | 0 | 0 | 109.4 | Y878 | Y876-Y878 HydrophobicContact CD1-CE2 4Å; Y876-Y878 HydrophobicContact CE1-CE2 4.44Å | ||
| 877 | G | 27.8 | Very low | 27.4 | Very low | 62 Ų | 62 | 153.3 Ų | 153.3 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -160.5 | 63.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R875 K879 | R875-G877 PolarHBondContact O-N 3.22Å; G877-K879 PolarHBondContact O-N 3.22Å | ||
| 878 | Y | 24.2 | Very low | 27.1 | Very low | 208 Ų | 208 | 153 Ų | 153 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -63.5 | 99.1 | 175.4 | -72.1 | -77 | 0 | 0 | 0 | 110.9 | Y876 | Y876-Y878 HydrophobicContact CD1-CE2 4Å; Y876-Y878 HydrophobicContact CE1-CE2 4.44Å | ||
| 879 | K | 31.4 | Very low | 27.2 | Very low | 206 Ų | 206 | 150.8 Ų | 150.8 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -83.7 | 120.9 | 168.1 | -68.2 | -173.3 | 178.4 | -177.5 | 0 | 109.4 | G877 | G877-K879 PolarHBondContact O-N 3.22Š| ||
| 880 | T | 23.5 | Very low | 27 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -73.4 | 175.2 | 172.3 | 42.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 881 | S | 26.6 | Very low | 26.5 | Very low | 116 Ų | 116 | 157 Ų | 157 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | 70.2 | 90.3 | 170.4 | -55.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 882 | R | 26.6 | Very low | 26.3 | Very low | 223 Ų | 223 | 153.7 Ų | 153.7 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -120.4 | 108.9 | 142.2 | -78.8 | -171.1 | 174.3 | -178.9 | -1.8 | 108.8 | F884 | R882-F884 HydrophobicContact CB-CE2 4.37Š| ||
| 883 | S | 24.6 | Very low | 26 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 122.1 | 168.3 | 38.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 884 | F | 30.4 | Very low | 26 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 82% | 0.82 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 122.2 | 163.9 | -82.5 | -86.3 | 0 | 0 | 0 | 108.4 | R882 | R882-F884 HydrophobicContact CB-CE2 4.37Š|
| 885 | T | 27.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 156.2 Ų | 156.2 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 146.9 | -172.9 | 45.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 886 | E | 23.3 | Very low | 25.7 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137 | 175.1 | -61.6 | 176.8 | 113.9 | 0 | 0 | 112.2 | ||
| 887 | P | 28.6 | Very low | 26 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -89.2 | 104.4 | 163.5 | 32.6 | -28.3 | 0 | 0 | 0 | 110.2 | ||||
| 888 | S | 23.3 | Very low | 25.7 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -80.5 | 118.3 | 175.7 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 889 | I | 30.6 | Very low | 25.7 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -129.3 | 107.7 | 177.6 | -63.4 | 175.9 | 0 | 0 | 0 | 110.5 | ||||
| 890 | F | 24.3 | Very low | 25.4 | Very low | 200 Ų | 200 | 147 Ų | 147 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | 35.7 | 125.9 | 153.2 | -87.8 | -95 | 0 | 0 | 0 | 121.5 | ||||
| 891 | S | 21.4 | Very low | 25.4 | Very low | 120 Ų | 120 | 150 Ų | 150 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -73.3 | 139.2 | 160.8 | 47.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 892 | G | 24 | Very low | 25.4 | Very low | 80 Ų | 80 | 152.8 Ų | 152.8 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -138 | 119.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 893 | S | 22.8 | Very low | 25.3 | Very low | 101 Ų | 101 | 152 Ų | 152 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -87.2 | 128.1 | -175.7 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 894 | Y | 26.2 | Very low | 25.2 | Very low | 215 Ų | 215 | 151.8 Ų | 151.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -150.7 | 103.3 | 155.2 | -88.4 | -67.2 | 0 | 0 | 0 | 113.9 | ||||
| 895 | H | 25.6 | Very low | 24.9 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | 63 | 145.4 | 132 | -74.5 | 55.6 | 0 | 0 | 0 | 121.8 | ||||
| 896 | N | 22.9 | Very low | 24.9 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -89.1 | 144.6 | -177.5 | -49 | -78.1 | 0 | 0 | 0 | 112.4 | ||||
| 897 | I | 29.7 | Very low | 24.9 | Very low | 172 Ų | 172 | 153.8 Ų | 153.8 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -135 | 149.5 | 152.2 | -63.9 | -175.3 | 0 | 0 | 0 | 107.8 | ||||
| 898 | E | 21.4 | Very low | 24.9 | Very low | 181 Ų | 181 | 159.1 Ų | 159.1 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -86.5 | -165.4 | -168.9 | -57.4 | 173.6 | 97.9 | 0 | 0 | 114.3 | ||||
| 899 | V | 25.1 | Very low | 25.2 | Very low | 129 Ų | 129 | 160.6 Ų | 160.6 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | 92.7 | 104.3 | 162.3 | -169.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 900 | A | 24.4 | Very low | 24.9 | Very low | 100 Ų | 100 | 156 Ų | 156 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 48.3 | 72.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 901 | Q | 24.7 | Very low | 25 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -104.6 | 95.4 | 163 | -67.4 | -173.8 | 4.7 | 0 | 0 | 112.5 | ||||
| 902 | H | 25.7 | Very low | 25.2 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -153.9 | 9.3 | 161 | -134.1 | -74.7 | 0 | 0 | 0 | 116.7 | ||
| 903 | F | 24 | Very low | 25.4 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -130.8 | 26.8 | -174.7 | -102.8 | -71.6 | 0 | 0 | 0 | 115.1 | ||
| 904 | E | 22.6 | Very low | 25.8 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 52% | 0.519 | 78% | 0.779 | S | S | . | * | trans | -139.5 | 73.6 | 179.2 | -162.2 | 66.3 | -92.9 | 0 | 0 | 112.1 | R907 | E904-R907 VanDerWaalsContact OE1-CD 3.29Å; E904-R907 WeakPolarHBondContact OE1-CD 3.42Å; E904-R907 VanDerWaalsContact OE1-CG 3.24Å; E904-R907 WeakPolarHBondContact OE1-CG 3.19Å; E904-R907 IonicContact OE1-CZ 3.84Å; E904-R907 IonicContact OE1-NE 2.85Å; E904-R907 PolarHBondContact OE1-NE 2.89Å; E904-R907 IonicContact OE1-NH2 3.98Å; E904-R907 IonicContact OE2-CZ 3.18Å; E904-R907 IonicContact OE2-NE 2.96Å; E904-R907 PolarHBondContact OE2-NE 3.03Å; E904-R907 IonicContact OE2-NH2 2.76Å; E904-R907 PolarHBondContact OE2-NH2 3.1Å | ||
| 905 | N | 25.7 | Very low | 26.1 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -142.6 | 21.1 | 170.4 | -115.6 | -24.3 | 0 | 0 | 0 | 114 | ||||
| 906 | H | 27.6 | Very low | 26.4 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | -103.1 | -7.8 | 170.6 | -82.1 | 49.1 | 0 | 0 | 0 | 113.2 | R908 | H906-R908 PolarHBondContact O-N 3.34Š| ||
| 907 | R | 23.4 | Very low | 27.2 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 87.1 | 172.6 | -68.8 | -173.2 | -149.4 | -152.2 | 10 | 112.3 | E904 | E904-R907 VanDerWaalsContact OE1-CD 3.29Å; E904-R907 WeakPolarHBondContact OE1-CD 3.42Å; E904-R907 VanDerWaalsContact OE1-CG 3.24Å; E904-R907 WeakPolarHBondContact OE1-CG 3.19Å; E904-R907 IonicContact OE1-CZ 3.84Å; E904-R907 IonicContact OE1-NE 2.85Å; E904-R907 PolarHBondContact OE1-NE 2.89Å; E904-R907 IonicContact OE1-NH2 3.98Å; E904-R907 IonicContact OE2-CZ 3.18Å; E904-R907 IonicContact OE2-NE 2.96Å; E904-R907 PolarHBondContact OE2-NE 3.03Å; E904-R907 IonicContact OE2-NH2 2.76Å; E904-R907 PolarHBondContact OE2-NH2 3.1Å |
| 908 | R | 27.7 | Very low | 27.9 | Very low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.8 | -7.2 | 143.1 | -98.7 | 152.8 | -162.8 | -142 | 2.3 | 116.9 | H906 R912 | H906-R908 PolarHBondContact O-N 3.34Å; R908-R912 PolarHBondContact O-NH2 3.06Å |
| 909 | N | 28.8 | Very low | 29.2 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | -105.2 | 44.7 | 170.1 | -79.9 | -9.9 | 0 | 0 | 0 | 112.8 | R912 | N909-R912 PolarHBondContact OD1-NH2 2.99Š| ||
| 910 | G | 24.1 | Very low | 31.5 | Very low | 55 Ų | 55 | 141.2 Ų | 141.2 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -82.6 | 136.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111 | R912 | G910-R912 VanDerWaalsContact C-N 3.28Å; G910-R912 PolarHBondContact O-N 2.95Å |
| 911 | D | 28 | Very low | 34.1 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 88% | 0.882 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 39.2 | 43.2 | 157.2 | -60.5 | -6.1 | 0 | 0 | 0 | 118 | P913 | D911-P913 VanDerWaalsContact C-CD 3.46Å; D911-P913 WeakPolarHBondContact O-CD 3.48Å |
| 912 | R | 25.4 | Very low | 36.7 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | trans | -87.9 | 91.5 | 148.2 | -78.4 | -174.7 | -81.1 | -156.2 | -2 | 107.6 | R908 N909 G910 V914 | R908-R912 PolarHBondContact O-NH2 3.06Å; N909-R912 PolarHBondContact OD1-NH2 2.99Å; G910-R912 VanDerWaalsContact C-N 3.28Å; G910-R912 PolarHBondContact O-N 2.95Å; R912-V914 PolarHBondContact O-N 3.3Å | ||
| 913 | P | 28.5 | Very low | 39.3 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | trans | -56.1 | 134.2 | 166.5 | 26.4 | -34.3 | 0 | 0 | 0 | 107.4 | D911 T915 | D911-P913 VanDerWaalsContact C-CD 3.46Å; D911-P913 WeakPolarHBondContact O-CD 3.48Å; P913-T915 PolarHBondContact O-N 3.12Å | ||
| 914 | V | 31.3 | Very low | 42 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 62% | 0.618 | 61% | 0.605 | S | S | * | * | trans | -50.9 | 111.9 | -177.2 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | R912 W916 | R912-V914 PolarHBondContact O-N 3.3Å; V914-W916 PolarHBondContact O-N 3.42Å; V914-W916 VanDerWaalsContact O-N 3.14Å | ||
| 915 | T | 31.9 | Very low | 44.8 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | trans | -66 | 119.9 | -175.6 | 38.3 | 0 | 0 | 0 | 0 | 107.6 | P913 I917 | P913-T915 PolarHBondContact O-N 3.12Å; T915-I917 PolarHBondContact O-N 3.09Å | ||
| 916 | W | 31.6 | Very low | 47.4 | Very low | 94 Ų | 94 | 110 Ų | 110 | 36% | 0.356 | 55% | 0.553 | S | S | . | * | trans | -71.5 | 57.6 | -175.8 | -53.4 | 105 | 0 | 0 | 0 | 111.7 | V914 N918 L921 L1010 | V914-W916 PolarHBondContact O-N 3.42Å; V914-W916 VanDerWaalsContact O-N 3.14Å; W916-N918 PolarHBondContact O-N 2.86Å; W916-L921 HydrophobicContact CE3-CB 3.66Å; W916-L921 HydrophobicContact CE3-CD1 3.62Å; W916-L921 HydrophobicContact CE3-CG 4.13Å; W916-L921 HydrophobicContact CZ3-CB 3.99Å; W916-L921 HydrophobicContact CZ3-CD1 4.08Å; W916-L921 HydrophobicContact CZ3-CD2 4.38Å; W916-L921 HydrophobicContact CZ3-CG 4.36Å; W916-L1010 HydrophobicContact CH2-CD1 3.51Å; W916-L1010 HydrophobicContact CH2-CD2 3.6Å; W916-L1010 HydrophobicContact CH2-CG 4.21Å; W916-L1010 HydrophobicContact CZ3-CD1 3.55Å; W916-L1010 HydrophobicContact CZ3-CD2 3.71Å; W916-L1010 HydrophobicContact CZ3-CG 4.18Å | ||
| 917 | I | 39 | Very low | 49.6 | Very low | 138 Ų | 138 | 104.4 Ų | 104.4 | 71% | 0.708 | 53% | 0.532 | S | S | * | . | trans | -68.9 | 1.5 | -169.1 | 56.9 | 176 | 0 | 0 | 0 | 114.6 | T915 | T915-I917 PolarHBondContact O-N 3.09Š| ||
| 918 | N | 46.2 | Very low | 51.9 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -140.3 | 128.1 | 169.2 | -79.2 | -77.3 | 0 | 0 | 0 | 109.3 | W916 R920 | W916-N918 PolarHBondContact O-N 2.86Å; N918-R920 PolarHBondContact O-N 3.17Å |
| 919 | G | 48.3 | Very low | 53.7 | Low | 95 Ų | 95 | 90.8 Ų | 90.8 | 98% | 0.979 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 32.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 920 | R | 72.2 | Confident | 55.4 | Low | 145 Ų | 145 | 91 Ų | 91 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -1.5 | 175.6 | -65 | -170.8 | -171.6 | -164.3 | 3.5 | 112.5 | N918 S1013 G1014 | N918-R920 PolarHBondContact O-N 3.17Å; R920-S1013 WeakPolarHBondContact CB-O 3.28Å; R920-S1013 WeakPolarHBondContact CD-O 3.09Å; R920-S1013 PolarHBondContact O-N 2.92Å; R920-G1014 PolarHBondContact NH1-O 2.76Å |
| 921 | L | 79.9 | Confident | 57.1 | Low | 50 Ų | 50 | 96.8 Ų | 96.8 | 26% | 0.262 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.9 | -173.7 | -70.5 | 157.6 | 0 | 0 | 0 | 110.9 | W916 L981 I1011 K1012 | W916-L921 HydrophobicContact CE3-CB 3.66Å; W916-L921 HydrophobicContact CE3-CD1 3.62Å; W916-L921 HydrophobicContact CE3-CG 4.13Å; W916-L921 HydrophobicContact CZ3-CB 3.99Å; W916-L921 HydrophobicContact CZ3-CD1 4.08Å; W916-L921 HydrophobicContact CZ3-CD2 4.38Å; W916-L921 HydrophobicContact CZ3-CG 4.36Å; L921-L981 HydrophobicContact CD2-CD1 3.47Å; L921-L981 VanDerWaalsContact CD2-CD1 3.47Å; L921-I1011 CarbonylContact C-O 3.51Å; L921-I1011 VanDerWaalsContact CA-O 3.27Å; L921-I1011 WeakPolarHBondContact CA-O 3.32Å; L921-K1012 HydrophobicContact CD2-CB 3.6Å; L921-K1012 HydrophobicContact CD2-CG 4.05Å |
| 922 | K | 79.1 | Confident | 58.7 | Low | 72 Ų | 72 | 92 Ų | 92 | 31% | 0.313 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137 | -178.9 | -53.6 | -175.7 | -173.8 | -174.1 | 0 | 110.4 | L924 E973 L1010 I1011 | K922-L924 HydrophobicContact CB-CD2 4.32Å; K922-L924 HydrophobicContact CB-CG 4.48Å; K922-E973 PolarHBondContact NZ-O 2.76Å; K922-L1010 WeakPolarHBondContact O-CA 3.5Å; K922-L1010 WeakPolarHBondContact O-CD1 3.25Å; K922-I1011 HydrophobicContact CB-CB 4.49Å; K922-I1011 PolarHBondContact N-O 3.04Å; K922-I1011 PolarHBondContact O-N 3.11Å |
| 923 | R | 81.1 | Confident | 59.9 | Low | 101 Ų | 101 | 95 Ų | 95 | 38% | 0.381 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 107.6 | 171.7 | -171.4 | 176.2 | -69.2 | -91.5 | -1.6 | 109.2 | E982 E1008 I1009 L1010 | R923-E982 IonicContact CZ-OE1 2.81Å; R923-E982 IonicContact CZ-OE2 3.1Å; R923-E982 VanDerWaalsContact CZ-OE2 3.24Å; R923-E982 IonicContact NH1-OE2 3.85Å; R923-E982 PolarHBondContact NH1-OE2 2.9Å; R923-E982 IonicContact NH2-OE1 3.45Å; R923-E982 PolarHBondContact NH2-OE1 3.38Å; R923-E982 IonicContact NH2-OE2 3.22Å; R923-E982 PolarHBondContact NH2-OE2 2.91Å; R923-E1008 HydrophobicContact CG-CG 4.02Å; R923-I1009 CarbonylContact C-O 3.51Å; R923-I1009 WeakPolarHBondContact CA-O 3.37Å; R923-L1010 HydrophobicContact CB-CD1 3.99Å |
| 924 | L | 80.6 | Confident | 61.3 | Low | 12 Ų | 12 | 94.1 Ų | 94.1 | 6% | 0.063 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 146 | -175.5 | -54.7 | -174.4 | 0 | 0 | 0 | 110.6 | K922 L926 M971 E973 V974 E1008 I1009 I1011 | K922-L924 HydrophobicContact CB-CD2 4.32Å; K922-L924 HydrophobicContact CB-CG 4.48Å; L924-L926 HydrophobicContact CB-CD1 3.78Å; L924-M971 HydrophobicContact CD1-CE 4.28Å; L924-M971 HydrophobicContact CD2-CE 4.36Å; L924-E973 HydrophobicContact CD1-CB 4Å; L924-E973 HydrophobicContact CD2-CB 4.48Å; L924-E973 WeakPolarHBondContact CD2-OE2 3.46Å; L924-V974 HydrophobicContact CD1-CG2 3.42Å; L924-V974 VanDerWaalsContact CD1-CG2 3.42Å; L924-E1008 CarbonylContact O-C 3.58Å; L924-E1008 VanDerWaalsContact O-CA 3.31Å; L924-E1008 WeakPolarHBondContact O-CA 3.16Å; L924-I1009 HydrophobicContact CB-CG1 4.03Å; L924-I1009 PolarHBondContact N-O 3.22Å; L924-I1009 PolarHBondContact O-N 3.1Å; L924-I1011 HydrophobicContact CD1-CD1 3.81Å; L924-I1011 HydrophobicContact CG-CD1 4.4Å |
| 925 | L | 79.9 | Confident | 62.6 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 24% | 0.241 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 92.4 | -178.6 | 179.5 | 50.4 | 0 | 0 | 0 | 110 | V1007 E1008 | L925-V1007 CarbonylContact C-O 3.55Å; L925-V1007 WeakPolarHBondContact CA-O 3.3Å; L925-E1008 HydrophobicContact CD1-CB 4Å |
| 926 | L | 80.4 | Confident | 64.3 | Low | 8 Ų | 8 | 91 Ų | 91 | 4% | 0.042 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 164.3 | -177.6 | -59.6 | 90.8 | 0 | 0 | 0 | 110.6 | L924 L938 V968 M971 V1007 I1009 | L924-L926 HydrophobicContact CB-CD1 3.78Å; L926-L938 HydrophobicContact CB-CD2 3.74Å; L926-L938 HydrophobicContact CD2-CD2 4.12Å; L926-V968 HydrophobicContact CD2-CG2 3.52Å; L926-M971 HydrophobicContact CD2-SD 4.13Å; L926-M971 HydrophobicContact CG-SD 4.11Å; L926-V1007 PolarHBondContact N-O 2.94Å; L926-V1007 PolarHBondContact O-N 2.93Å; L926-I1009 HydrophobicContact CD1-CD1 3.55Å; L926-I1009 HydrophobicContact CD1-CG1 3.7Å |
| 927 | V | 74.5 | Confident | 66 | Low | 72 Ų | 72 | 87.2 Ų | 87.2 | 44% | 0.436 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 113.5 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | D929 L967 E1006 | V927-D929 PolarHBondContact O-N 3.27Å; V927-L967 WeakPolarHBondContact O-CD1 3.37Å; V927-E1006 HydrophobicContact CG1-CG 4.35Å; V927-E1006 HydrophobicContact CG2-CG 4.18Å |
| 928 | R | 72.1 | Confident | 68.1 | Low | 50 Ų | 50 | 81 Ų | 81 | 19% | 0.189 | 42% | 0.422 | C | S | . | . | trans | -61.2 | 129.7 | 176.6 | -71.9 | 176 | 160.3 | -157.4 | -9.9 | 110.1 | Q930 G937 L938 I1000 T1003 G1005 V1007 | R928-Q930 PolarHBondContact O-N 3.14Å; R928-G937 VanDerWaalsContact CA-O 3.25Å; R928-G937 WeakPolarHBondContact CA-O 3.29Å; R928-L938 HydrophobicContact CB-CD2 4.41Å; R928-L938 HydrophobicContact CG-CD2 3.49Å; R928-L938 VanDerWaalsContact CG-CD2 3.49Å; R928-L938 HydrophobicContact CG-CG 3.81Å; R928-I1000 VanDerWaalsContact CZ-O 3.24Å; R928-I1000 PolarHBondContact NH1-O 2.96Å; R928-I1000 VanDerWaalsContact NH2-CG2 3.26Å; R928-I1000 PolarHBondContact NH2-O 2.8Å; R928-T1003 WeakPolarHBondContact CD-O 3.47Å; R928-T1003 PolarHBondContact NH1-O 3.29Å; R928-G1005 WeakPolarHBondContact CB-O 3.22Å; R928-G1005 WeakPolarHBondContact CG-O 3.48Å; R928-G1005 PolarHBondContact N-O 2.85Å; R928-V1007 HydrophobicContact CG-CG2 4.06Å | ||
| 929 | D | 65.9 | Low | 69.8 | Low | 80 Ų | 80 | 76.1 Ų | 76.1 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | trans | -77.4 | 108.1 | 169.1 | -172.3 | 0.2 | 0 | 0 | 0 | 109.4 | V927 K931 D932 G937 L967 | V927-D929 PolarHBondContact O-N 3.27Å; D929-K931 PolarHBondContact O-N 2.94Å; D929-K931 WeakPolarHBondContact OD1-CA 3.38Å; D929-K931 WeakPolarHBondContact OD1-CB 3.3Å; D929-K931 PolarHBondContact OD1-N 2.98Å; D929-D932 HydrophobicContact CB-CB 4.05Å; D929-D932 WeakPolarHBondContact O-CB 3.49Å; D929-D932 PolarHBondContact O-N 3.15Å; D929-G937 PolarHBondContact N-O 2.84Å; D929-L967 HydrophobicContact CB-CD1 4.5Å | ||
| 930 | Q | 63.5 | Low | 71.7 | Confident | 154 Ų | 154 | 72.1 Ų | 72.1 | 72% | 0.72 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15 | 175.6 | -70 | 178.5 | -38.3 | 0 | 0 | 112.9 | R928 | R928-Q930 PolarHBondContact O-N 3.14Š|
| 931 | K | 58.9 | Low | 72.5 | Confident | 178 Ų | 178 | 70.9 Ų | 70.9 | 77% | 0.774 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -16.1 | 175.6 | -164.7 | 176.1 | -180 | 178.7 | 0 | 112.6 | D929 R933 | D929-K931 PolarHBondContact O-N 2.94Å; D929-K931 WeakPolarHBondContact OD1-CA 3.38Å; D929-K931 WeakPolarHBondContact OD1-CB 3.3Å; D929-K931 PolarHBondContact OD1-N 2.98Å; K931-R933 PolarHBondContact O-N 2.82Å; K931-R933 VanDerWaalsContact O-N 3.1Å |
| 932 | D | 61.9 | Low | 72.9 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | trans | -73.6 | 101.9 | -174.2 | -168.5 | -8.8 | 0 | 0 | 0 | 111.3 | D929 S934 | D929-D932 HydrophobicContact CB-CB 4.05Å; D929-D932 WeakPolarHBondContact O-CB 3.49Å; D929-D932 PolarHBondContact O-N 3.15Å; D932-S934 PolarHBondContact O-N 2.8Å; D932-S934 WeakPolarHBondContact OD1-CB 3.3Å; D932-S934 PolarHBondContact OD1-N 2.89Å; D932-S934 VanDerWaalsContact OD1-N 3.08Å; D932-S934 PolarHBondContact OD1-OG 2.87Å; D932-S934 PolarHBondContact OD2-OG 3.47Å | ||
| 933 | R | 51.2 | Low | 73.3 | Confident | 251 Ų | 251 | 66.7 Ų | 66.7 | 95% | 0.947 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -3.6 | -179.1 | -68.5 | -173.7 | 175 | -168.1 | -2.4 | 113.7 | K931 G935 | K931-R933 PolarHBondContact O-N 2.82Å; K931-R933 VanDerWaalsContact O-N 3.1Å; R933-G935 PolarHBondContact O-N 2.86Å; R933-G935 VanDerWaalsContact O-N 3.15Å |
| 934 | S | 57.4 | Low | 73.4 | Confident | 66 Ų | 66 | 62 Ų | 62 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.2 | 177.3 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | D932 H936 | D932-S934 PolarHBondContact O-N 2.8Å; D932-S934 WeakPolarHBondContact OD1-CB 3.3Å; D932-S934 PolarHBondContact OD1-N 2.89Å; D932-S934 VanDerWaalsContact OD1-N 3.08Å; D932-S934 PolarHBondContact OD1-OG 2.87Å; D932-S934 PolarHBondContact OD2-OG 3.47Å; S934-H936 PolarHBondContact O-N 2.84Å; S934-H936 PolarHBondContact OG-N 2.88Å |
| 935 | G | 58.8 | Low | 73.2 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 74.1 | 2.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R933 | R933-G935 PolarHBondContact O-N 2.86Å; R933-G935 VanDerWaalsContact O-N 3.15Å |
| 936 | H | 67.2 | Low | 72.6 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | trans | -130.8 | 48.3 | -174.1 | -60.5 | -27.4 | 0 | 0 | 0 | 111.2 | S934 L938 G939 Y963 | S934-H936 PolarHBondContact O-N 2.84Å; S934-H936 PolarHBondContact OG-N 2.88Å; H936-L938 PolarHBondContact O-N 3.26Å; H936-G939 PolarHBondContact O-N 3.42Å; H936-Y963 HydrophobicContact CB-CD2 4.37Å; H936-Y963 HydrophobicContact CB-CE2 4.21Å; H936-Y963 AromaticContact CD2-CE2 3.34Å; H936-Y963 WeakPolarHBondContact CD2-CE2 3.36Å; H936-Y963 AromaticContact CD2-CZ 3.42Å; H936-Y963 VanDerWaalsContact CD2-CZ 3.42Å; H936-Y963 PolarHBondContact CD2-OH 2.82Å; H936-Y963 AromaticContact CG-CE2 3.93Å; H936-Y963 AromaticContact NE2-CZ 3.81Å; H936-Y963 PolarHBondContact NE2-OH 2.81Å | ||
| 937 | G | 69.1 | Low | 72.2 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 15.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | R928 D929 | R928-G937 VanDerWaalsContact CA-O 3.25Å; R928-G937 WeakPolarHBondContact CA-O 3.29Å; D929-G937 PolarHBondContact N-O 2.84Å |
| 938 | L | 81.1 | Confident | 71.7 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -16.9 | 160.7 | -67.5 | -179.4 | 0 | 0 | 0 | 113.4 | L926 R928 H936 M940 L967 V968 W983 | L926-L938 HydrophobicContact CB-CD2 3.74Å; L926-L938 HydrophobicContact CD2-CD2 4.12Å; R928-L938 HydrophobicContact CB-CD2 4.41Å; R928-L938 HydrophobicContact CG-CD2 3.49Å; R928-L938 VanDerWaalsContact CG-CD2 3.49Å; R928-L938 HydrophobicContact CG-CG 3.81Å; H936-L938 PolarHBondContact O-N 3.26Å; L938-M940 HydrophobicContact CB-CG 4.12Å; L938-L967 WeakPolarHBondContact O-CB 3.39Å; L938-L967 PolarHBondContact O-N 3.43Å; L938-V968 HydrophobicContact CB-CG2 4.22Å; L938-V968 WeakPolarHBondContact O-CB 3.38Å; L938-V968 WeakPolarHBondContact O-CG2 3.27Å; L938-V968 PolarHBondContact O-N 2.89Å; L938-W983 HydrophobicContact CD1-CH2 3.66Å; L938-W983 HydrophobicContact CD1-CZ2 4.37Å; L938-W983 HydrophobicContact CD1-CZ3 4.43Å |
| 939 | G | 82.9 | Confident | 71.1 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 80.2 | 22.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H936 Y963 | H936-G939 PolarHBondContact O-N 3.42Å; G939-Y963 PolarHBondContact O-N 3.26Å |
| 940 | M | 88.8 | Confident | 70.8 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 5% | 0.054 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.8 | 173.9 | 67 | 158.7 | 79.3 | 0 | 0 | 112.5 | L938 V942 V959 A961 V968 V974 I980 I1009 | L938-M940 HydrophobicContact CB-CG 4.12Å; M940-V942 HydrophobicContact CG-CG2 4.23Å; M940-V942 HydrophobicContact SD-CG2 3.51Å; M940-V942 VanDerWaalsContact SD-CG2 3.51Å; M940-V959 HydrophobicContact CB-CG1 4.27Å; M940-V959 HydrophobicContact CE-CG2 4.26Å; M940-V959 HydrophobicContact SD-CG2 3.97Å; M940-A961 CarbonylContact C-O 3.59Å; M940-A961 WeakPolarHBondContact CA-O 3.25Å; M940-V968 HydrophobicContact CB-CB 4.44Å; M940-V968 HydrophobicContact CB-CG1 4.35Å; M940-V968 HydrophobicContact CB-CG2 4.17Å; M940-V968 HydrophobicContact CE-CB 4.36Å; M940-V968 HydrophobicContact CE-CG1 3.99Å; M940-V968 HydrophobicContact CE-CG2 3.39Å; M940-V968 HydrophobicContact CG-CG2 4.07Å; M940-V974 HydrophobicContact CE-CG1 4.09Å; M940-V974 HydrophobicContact CE-CG2 4.39Å; M940-I980 HydrophobicContact SD-CD1 4.34Å; M940-I1009 HydrophobicContact CE-CD1 3.88Å |
| 941 | R | 88.1 | Confident | 70.5 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.9 | 163.9 | -173.8 | 179.7 | 177.7 | -161 | 1.3 | 109.3 | A960 A961 Y963 | R941-A960 PolarHBondContact O-N 3.11Å; R941-A961 HydrophobicContact CB-CB 4.03Å; R941-A961 PolarHBondContact N-O 3.23Å; R941-A961 PolarHBondContact O-N 2.75Å; R941-Y963 HydrophobicContact CB-CE2 3.98Å |
| 942 | V | 89.4 | Confident | 70.6 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | M940 T957 Y958 I980 W983 V996 I1000 | M940-V942 HydrophobicContact CG-CG2 4.23Å; M940-V942 HydrophobicContact SD-CG2 3.51Å; M940-V942 VanDerWaalsContact SD-CG2 3.51Å; V942-T957 HydrophobicContact CG1-CG2 3.29Å; V942-Y958 WeakPolarHBondContact CA-O 3.48Å; V942-I980 HydrophobicContact CB-CD1 4.46Å; V942-I980 HydrophobicContact CG1-CD1 3.87Å; V942-I980 HydrophobicContact CG2-CD1 3.67Å; V942-W983 HydrophobicContact CG2-CZ3 4.31Å; V942-V996 HydrophobicContact CG1-CG1 4.46Å; V942-I1000 HydrophobicContact CB-CD1 3.75Å; V942-I1000 HydrophobicContact CG1-CD1 3.67Å; V942-I1000 HydrophobicContact CG2-CD1 4.38Å |
| 943 | I | 86 | Confident | 70.6 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.2 | 172.6 | -65 | 180 | 0 | 0 | 0 | 108.7 | T957 Y958 A960 Y993 | I943-T957 CarbonylContact O-C 3.53Å; I943-T957 WeakPolarHBondContact O-CA 3.43Å; I943-Y958 HydrophobicContact CB-CD1 4.43Å; I943-Y958 HydrophobicContact CB-CE1 3.74Å; I943-Y958 HydrophobicContact CG2-CE1 3.77Å; I943-Y958 PolarHBondContact N-O 3.5Å; I943-Y958 VanDerWaalsContact O-CD1 3.28Å; I943-Y958 WeakPolarHBondContact O-CD1 3.48Å; I943-Y958 PolarHBondContact O-N 3.49Å; I943-A960 HydrophobicContact CB-CB 4.21Å; I943-A960 HydrophobicContact CD1-CB 3.51Å; I943-A960 HydrophobicContact CG1-CB 3.64Å; I943-Y993 HydrophobicContact CG2-CD2 4.35Å |
| 944 | G | 84.4 | Confident | 71.5 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | T957 | G944-T957 WeakPolarHBondContact CA-OG1 3.49Å |
| 945 | G | 74.9 | Confident | 72.7 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.4 | 26.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V956 K991 | G945-V956 PolarHBondContact N-O 2.83Å; G945-K991 VanDerWaalsContact CA-O 3.26Å; G945-K991 WeakPolarHBondContact CA-O 3.46Å; G945-K991 PolarHBondContact N-O 3.17Å |
| 946 | K | 68.4 | Low | 73.9 | Confident | 91 Ų | 91 | 52.1 Ų | 52.1 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.6 | 171 | -72.5 | -169 | 173.1 | -172.1 | 0 | 111.3 | V956 Y958 Y1021 | K946-V956 PolarHBondContact O-N 3.34Å; K946-Y958 HydrophobicContact CD-CE1 4.48Å; K946-Y1021 HydrophobicContact CD-CE1 3.74Å; K946-Y1021 VanDerWaalsContact CD-OH 3.23Å; K946-Y1021 WeakPolarHBondContact CD-OH 3.46Å |
| 947 | I | 72.5 | Confident | 74.9 | Confident | 91 Ų | 91 | 49 Ų | 49 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 138.1 | 173.8 | -57.4 | 175.6 | 0 | 0 | 0 | 108.7 | L955 | I947-L955 HydrophobicContact CG1-CD2 3.67Å |
| 948 | L | 63.8 | Low | 75.8 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 132.9 | 171.3 | -82.5 | 170.7 | 0 | 0 | 0 | 110.8 | G950 S951 V956 L1017 | L948-G950 PolarHBondContact O-N 3.34Å; L948-S951 WeakPolarHBondContact CB-OG 3.42Å; L948-S951 PolarHBondContact N-OG 3.29Å; L948-S951 PolarHBondContact O-N 2.86Å; L948-S951 PolarHBondContact O-OG 3.02Å; L948-V956 HydrophobicContact CD1-CG1 3.85Å; L948-V956 HydrophobicContact CD1-CG2 4.11Å; L948-V956 HydrophobicContact CD2-CG2 4.47Å; L948-V956 HydrophobicContact CG-CG1 4.17Å; L948-V956 HydrophobicContact CG-CG2 3.8Å; L948-L1017 HydrophobicContact CD2-CD1 4.26Å; L948-L1017 HydrophobicContact CD2-CD2 3.51Å; L948-L1017 HydrophobicContact CD2-CG 3.76Å |
| 949 | P | 58.2 | Low | 76.1 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 127.7 | 167.3 | 27.9 | -33.5 | 0 | 0 | 0 | 109.3 | S951 V1020 | P949-S951 VanDerWaalsContact C-N 3.34Å; P949-V1020 HydrophobicContact CG-CB 4.45Å; P949-V1020 HydrophobicContact CG-CG1 3.72Å; P949-V1020 HydrophobicContact CG-CG2 3.82Å |
| 950 | G | 59.6 | Low | 76.3 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 94% | 0.938 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 1.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L948 | L948-G950 PolarHBondContact O-N 3.34Š|
| 951 | S | 58.3 | Low | 76.1 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -93.6 | 151.9 | 160.5 | 72.2 | 0 | 0 | 0 | 0 | 111.2 | L948 P949 S953 | L948-S951 WeakPolarHBondContact CB-OG 3.42Å; L948-S951 PolarHBondContact N-OG 3.29Å; L948-S951 PolarHBondContact O-N 2.86Å; L948-S951 PolarHBondContact O-OG 3.02Å; P949-S951 VanDerWaalsContact C-N 3.34Å; S951-S953 PolarHBondContact O-N 3.21Å |
| 952 | D | 60.9 | Low | 75.9 | Confident | 145 Ų | 145 | 45.2 Ų | 45.2 | 78% | 0.775 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -72.5 | 60.8 | 174.1 | 43.4 | -35.9 | 0 | 0 | 0 | 112.2 | E954 | D952-E954 PolarHBondContact O-N 2.85Š|
| 953 | S | 61.7 | Low | 75.7 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 60.6 | 9.5 | 175.5 | -62 | 0 | 0 | 0 | 0 | 116.6 | S951 L955 | S951-S953 PolarHBondContact O-N 3.21Å; S953-L955 PolarHBondContact O-N 3.31Å |
| 954 | E | 70.7 | Confident | 75.5 | Confident | 98 Ų | 98 | 55.7 Ų | 55.7 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | trans | -64.8 | 125.1 | 176.1 | -71.3 | -150.5 | 150.9 | 0 | 0 | 111.9 | D952 V956 N989 | D952-E954 PolarHBondContact O-N 2.85Å; E954-V956 PolarHBondContact O-N 3.1Å; E954-N989 PolarHBondContact OE2-ND2 3.4Å; E954-N989 VanDerWaalsContact OE2-ND2 3.17Å | ||
| 955 | L | 81.1 | Confident | 75.1 | Confident | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.7 | 165.9 | -61.7 | 172.9 | 0 | 0 | 0 | 109.2 | I947 S953 N989 G990 | I947-L955 HydrophobicContact CG1-CD2 3.67Å; S953-L955 PolarHBondContact O-N 3.31Å; L955-N989 CarbonylContact O-C 3.6Å; L955-N989 WeakPolarHBondContact O-CA 3.32Å; L955-G990 PolarHBondContact O-N 2.69Å |
| 956 | V | 83.9 | Confident | 75.1 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 159.7 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | G945 K946 L948 E954 Q979 | G945-V956 PolarHBondContact N-O 2.83Å; K946-V956 PolarHBondContact O-N 3.34Å; L948-V956 HydrophobicContact CD1-CG1 3.85Å; L948-V956 HydrophobicContact CD1-CG2 4.11Å; L948-V956 HydrophobicContact CD2-CG2 4.47Å; L948-V956 HydrophobicContact CG-CG1 4.17Å; L948-V956 HydrophobicContact CG-CG2 3.8Å; E954-V956 PolarHBondContact O-N 3.1Å; V956-Q979 HydrophobicContact CB-CG 4.43Å |
| 957 | T | 89.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.9 | 167.8 | -61.4 | 0 | 0 | 0 | 0 | 110 | V942 I943 G944 Q979 I980 L988 V996 | V942-T957 HydrophobicContact CG1-CG2 3.29Å; I943-T957 CarbonylContact O-C 3.53Å; I943-T957 WeakPolarHBondContact O-CA 3.43Å; G944-T957 WeakPolarHBondContact CA-OG1 3.49Å; T957-Q979 CarbonylContact O-C 3.52Å; T957-Q979 WeakPolarHBondContact O-CA 3.37Å; T957-Q979 WeakPolarHBondContact O-CG 3.26Å; T957-I980 HydrophobicContact CG2-CB 4.17Å; T957-I980 PolarHBondContact O-N 2.78Å; T957-L988 HydrophobicContact CG2-CD1 3.88Å; T957-L988 PolarHBondContact OG1-O 2.81Å; T957-V996 HydrophobicContact CG2-CG1 3.73Å; T957-V996 WeakPolarHBondContact OG1-CG2 3.39Å |
| 958 | Y | 86.8 | Confident | 76 | Confident | 6 Ų | 6 | 52 Ų | 52 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 159.3 | -176.8 | 69.8 | -77.7 | 0 | 0 | 0 | 112.9 | V942 I943 K946 A960 D978 L1017 Y1021 | V942-Y958 WeakPolarHBondContact CA-O 3.48Å; I943-Y958 HydrophobicContact CB-CD1 4.43Å; I943-Y958 HydrophobicContact CB-CE1 3.74Å; I943-Y958 HydrophobicContact CG2-CE1 3.77Å; I943-Y958 PolarHBondContact N-O 3.5Å; I943-Y958 VanDerWaalsContact O-CD1 3.28Å; I943-Y958 WeakPolarHBondContact O-CD1 3.48Å; I943-Y958 PolarHBondContact O-N 3.49Å; K946-Y958 HydrophobicContact CD-CE1 4.48Å; Y958-A960 HydrophobicContact CD2-CB 4.32Å; Y958-A960 HydrophobicContact CE2-CB 3.71Å; Y958-A960 PolarHBondContact O-N 2.92Å; Y958-D978 WeakPolarHBondContact CA-O 3.39Å; Y958-L1017 HydrophobicContact CD1-CD2 3.99Å; Y958-L1017 HydrophobicContact CD2-CB 4.4Å; Y958-L1017 HydrophobicContact CD2-CD2 4.17Å; Y958-L1017 HydrophobicContact CE1-CD2 4.47Å; Y958-L1017 HydrophobicContact CG-CD1 4.4Å; Y958-L1017 HydrophobicContact CG-CD2 3.86Å; Y958-Y1021 HydrophobicContact CD1-CE2 4.44Å; Y958-Y1021 HydrophobicContact CD2-CE2 4.12Å; Y958-Y1021 AromaticContact CE1-CE2 3.75Å; Y958-Y1021 HydrophobicContact CE1-CE2 3.75Å; Y958-Y1021 AromaticContact CE1-CZ 3.79Å; Y958-Y1021 WeakPolarHBondContact CE1-OH 3.46Å; Y958-Y1021 AromaticContact CE2-CD2 3.8Å; Y958-Y1021 HydrophobicContact CE2-CD2 3.8Å; Y958-Y1021 AromaticContact CE2-CE2 3.35Å; Y958-Y1021 HydrophobicContact CE2-CE2 3.35Å; Y958-Y1021 AromaticContact CZ-CD2 3.9Å; Y958-Y1021 AromaticContact CZ-CE2 3.14Å; Y958-Y1021 AromaticContact CZ-CZ 3.48Å; Y958-Y1021 VanDerWaalsContact CZ-CZ 3.48Å; Y958-Y1021 WeakPolarHBondContact OH-CE2 3.35Å; Y958-Y1021 VanDerWaalsContact OH-CZ 3.22Å |
| 959 | V | 88.9 | Confident | 77 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 111.3 | 172.5 | -179 | 0 | 0 | 0 | 0 | 108.8 | M940 V962 V974 G977 D978 I980 | M940-V959 HydrophobicContact CB-CG1 4.27Å; M940-V959 HydrophobicContact CE-CG2 4.26Å; M940-V959 HydrophobicContact SD-CG2 3.97Å; V959-V962 HydrophobicContact CG1-CG2 3.67Å; V959-V974 HydrophobicContact CB-CG1 4.49Å; V959-V974 HydrophobicContact CG1-CG1 4.41Å; V959-V974 HydrophobicContact CG2-CG1 3.78Å; V959-G977 PolarHBondContact O-N 2.89Å; V959-D978 HydrophobicContact CG2-CB 4.43Å; V959-D978 PolarHBondContact N-O 2.79Å; V959-I980 HydrophobicContact CG2-CD1 3.97Å; V959-I980 HydrophobicContact CG2-CG1 4.08Å |
| 960 | A | 85.6 | Confident | 77.7 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -23 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | R941 I943 Y958 | R941-A960 PolarHBondContact O-N 3.11Å; I943-A960 HydrophobicContact CB-CB 4.21Å; I943-A960 HydrophobicContact CD1-CB 3.51Å; I943-A960 HydrophobicContact CG1-CB 3.64Å; Y958-A960 HydrophobicContact CD2-CB 4.32Å; Y958-A960 HydrophobicContact CE2-CB 3.71Å; Y958-A960 PolarHBondContact O-N 2.92Å |
| 961 | A | 84.9 | Confident | 78.4 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 149.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M940 R941 E976 | M940-A961 CarbonylContact C-O 3.59Å; M940-A961 WeakPolarHBondContact CA-O 3.25Å; R941-A961 HydrophobicContact CB-CB 4.03Å; R941-A961 PolarHBondContact N-O 3.23Å; R941-A961 PolarHBondContact O-N 2.75Å; A961-E976 WeakPolarHBondContact CA-OE1 3.33Å |
| 962 | V | 85.3 | Confident | 79.2 | Confident | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.6 | 170.8 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | V959 V968 D969 E976 | V959-V962 HydrophobicContact CG1-CG2 3.67Å; V962-V968 HydrophobicContact CG1-CB 4.49Å; V962-V968 HydrophobicContact CG1-CG1 3.87Å; V962-V968 HydrophobicContact CG2-CG1 4.1Å; V962-D969 HydrophobicContact CG1-CB 3.88Å; V962-E976 HydrophobicContact CB-CG 4.13Å; V962-E976 HydrophobicContact CG2-CG 3.91Å; V962-E976 PolarHBondContact N-OE1 3.09Å |
| 963 | Y | 84.6 | Confident | 80 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | trans | -84.4 | 131 | -174 | -62 | -79.9 | 0 | 0 | 0 | 111.3 | H936 G939 R941 G966 D969 | H936-Y963 HydrophobicContact CB-CD2 4.37Å; H936-Y963 HydrophobicContact CB-CE2 4.21Å; H936-Y963 AromaticContact CD2-CE2 3.34Å; H936-Y963 WeakPolarHBondContact CD2-CE2 3.36Å; H936-Y963 AromaticContact CD2-CZ 3.42Å; H936-Y963 VanDerWaalsContact CD2-CZ 3.42Å; H936-Y963 PolarHBondContact CD2-OH 2.82Å; H936-Y963 AromaticContact CG-CE2 3.93Å; H936-Y963 AromaticContact NE2-CZ 3.81Å; H936-Y963 PolarHBondContact NE2-OH 2.81Å; G939-Y963 PolarHBondContact O-N 3.26Å; R941-Y963 HydrophobicContact CB-CE2 3.98Å; Y963-G966 PolarHBondContact O-N 2.85Å; Y963-G966 VanDerWaalsContact O-N 3.08Å; Y963-D969 WeakPolarHBondContact O-CB 3.37Å | ||
| 964 | K | 82.1 | Confident | 81.1 | Confident | 174 Ų | 174 | 43.9 Ų | 43.9 | 76% | 0.757 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 134 | -174.1 | -69.3 | -53.9 | -172.1 | -179.8 | 0 | 113.1 | G966 D969 | K964-G966 PolarHBondContact O-N 2.76Å; K964-D969 WeakPolarHBondContact CA-OD2 3.27Å; K964-D969 WeakPolarHBondContact CD-OD1 3.14Å; K964-D969 WeakPolarHBondContact CD-OD2 3.38Å; K964-D969 IonicContact NZ-OD1 2.85Å; K964-D969 PolarHBondContact NZ-OD1 3.08Å; K964-D969 IonicContact NZ-OD2 2.82Å |
| 965 | G | 75.3 | Confident | 81.6 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -4.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D969 L970 | G965-D969 PolarHBondContact N-OD2 2.9Å; G965-L970 WeakPolarHBondContact O-CD1 3.31Å |
| 966 | G | 75.9 | Confident | 81.8 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -69.8 | 161.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y963 K964 V968 D969 L970 | Y963-G966 PolarHBondContact O-N 2.85Å; Y963-G966 VanDerWaalsContact O-N 3.08Å; K964-G966 PolarHBondContact O-N 2.76Å; G966-V968 PolarHBondContact O-N 3.42Å; G966-V968 VanDerWaalsContact O-N 3.12Å; G966-D969 WeakPolarHBondContact O-CB 3.35Å; G966-D969 PolarHBondContact O-N 3.12Å; G966-L970 WeakPolarHBondContact O-CG 3.35Å; G966-L970 PolarHBondContact O-N 3.49Å |
| 967 | L | 76.3 | Confident | 81.6 | Confident | 67 Ų | 67 | 48 Ų | 48 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53.8 | -38.7 | -174.4 | -63.7 | 167.4 | 0 | 0 | 0 | 113.2 | V927 D929 L938 L970 M971 | V927-L967 WeakPolarHBondContact O-CD1 3.37Å; D929-L967 HydrophobicContact CB-CD1 4.5Å; L938-L967 WeakPolarHBondContact O-CB 3.39Å; L938-L967 PolarHBondContact O-N 3.43Å; L967-L970 PolarHBondContact O-N 3.34Å; L967-M971 WeakPolarHBondContact O-CG 3.25Å; L967-M971 PolarHBondContact O-N 2.96Å |
| 968 | V | 83.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 176.7 | 169.1 | 0 | 0 | 0 | 0 | 112.7 | L926 L938 M940 V962 G966 L970 M971 G972 V974 | L926-V968 HydrophobicContact CD2-CG2 3.52Å; L938-V968 HydrophobicContact CB-CG2 4.22Å; L938-V968 WeakPolarHBondContact O-CB 3.38Å; L938-V968 WeakPolarHBondContact O-CG2 3.27Å; L938-V968 PolarHBondContact O-N 2.89Å; M940-V968 HydrophobicContact CB-CB 4.44Å; M940-V968 HydrophobicContact CB-CG1 4.35Å; M940-V968 HydrophobicContact CB-CG2 4.17Å; M940-V968 HydrophobicContact CE-CB 4.36Å; M940-V968 HydrophobicContact CE-CG1 3.99Å; M940-V968 HydrophobicContact CE-CG2 3.39Å; M940-V968 HydrophobicContact CG-CG2 4.07Å; V962-V968 HydrophobicContact CG1-CB 4.49Å; V962-V968 HydrophobicContact CG1-CG1 3.87Å; V962-V968 HydrophobicContact CG2-CG1 4.1Å; G966-V968 PolarHBondContact O-N 3.42Å; G966-V968 VanDerWaalsContact O-N 3.12Å; V968-L970 VanDerWaalsContact C-N 3.35Å; V968-M971 PolarHBondContact O-N 3.08Å; V968-G972 PolarHBondContact O-N 2.91Å; V968-G972 VanDerWaalsContact O-N 3.13Å; V968-V974 HydrophobicContact CG1-CB 3.69Å; V968-V974 HydrophobicContact CG1-CG1 4.26Å; V968-V974 HydrophobicContact CG1-CG2 4.07Å |
| 969 | D | 83.1 | Confident | 81.6 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -39 | 176.7 | -170.8 | 58.3 | 0 | 0 | 0 | 111 | V962 Y963 K964 G965 G966 M971 G972 | V962-D969 HydrophobicContact CG1-CB 3.88Å; Y963-D969 WeakPolarHBondContact O-CB 3.37Å; K964-D969 WeakPolarHBondContact CA-OD2 3.27Å; K964-D969 WeakPolarHBondContact CD-OD1 3.14Å; K964-D969 WeakPolarHBondContact CD-OD2 3.38Å; K964-D969 IonicContact NZ-OD1 2.85Å; K964-D969 PolarHBondContact NZ-OD1 3.08Å; K964-D969 IonicContact NZ-OD2 2.82Å; G965-D969 PolarHBondContact N-OD2 2.9Å; G966-D969 WeakPolarHBondContact O-CB 3.35Å; G966-D969 PolarHBondContact O-N 3.12Å; D969-M971 VanDerWaalsContact C-N 3.31Å; D969-M971 PolarHBondContact O-N 3.33Å; D969-G972 PolarHBondContact O-N 3.01Å; D969-G972 VanDerWaalsContact O-N 3.15Å |
| 970 | L | 74.5 | Confident | 81.6 | Confident | 105 Ų | 105 | 48.7 Ų | 48.7 | 55% | 0.55 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.4 | -24 | 175.1 | -67.1 | 175.9 | 0 | 0 | 0 | 114 | G965 G966 L967 V968 | G965-L970 WeakPolarHBondContact O-CD1 3.31Å; G966-L970 WeakPolarHBondContact O-CG 3.35Å; G966-L970 PolarHBondContact O-N 3.49Å; L967-L970 PolarHBondContact O-N 3.34Å; V968-L970 VanDerWaalsContact C-N 3.35Å |
| 971 | M | 72.6 | Confident | 81.7 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -77.4 | -35.9 | 168.4 | -75.4 | -177 | 68.8 | 0 | 0 | 111.8 | L924 L926 L967 V968 D969 E973 | L924-M971 HydrophobicContact CD1-CE 4.28Å; L924-M971 HydrophobicContact CD2-CE 4.36Å; L926-M971 HydrophobicContact CD2-SD 4.13Å; L926-M971 HydrophobicContact CG-SD 4.11Å; L967-M971 WeakPolarHBondContact O-CG 3.25Å; L967-M971 PolarHBondContact O-N 2.96Å; V968-M971 PolarHBondContact O-N 3.08Å; D969-M971 VanDerWaalsContact C-N 3.31Å; D969-M971 PolarHBondContact O-N 3.33Å; M971-E973 HydrophobicContact CB-CB 4.45Å; M971-E973 HydrophobicContact CB-CG 4.45Å; M971-E973 HydrophobicContact CE-CB 4.45Å; M971-E973 HydrophobicContact CE-CG 4.34Å; M971-E973 VanDerWaalsContact CE-OE1 3.29Å; M971-E973 WeakPolarHBondContact CE-OE1 3.3Å; M971-E973 PolarHBondContact O-N 2.79Å |
| 972 | G | 75.3 | Confident | 81.9 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | trans | 66.4 | 1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V968 D969 | V968-G972 PolarHBondContact O-N 2.91Å; V968-G972 VanDerWaalsContact O-N 3.13Å; D969-G972 PolarHBondContact O-N 3.01Å; D969-G972 VanDerWaalsContact O-N 3.15Å | ||
| 973 | E | 77.8 | Confident | 82 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | trans | -81.6 | -18.6 | -176.3 | -68.7 | -162.5 | -120.8 | 0 | 0 | 114 | K922 L924 M971 | K922-E973 PolarHBondContact NZ-O 2.76Å; L924-E973 HydrophobicContact CD1-CB 4Å; L924-E973 HydrophobicContact CD2-CB 4.48Å; L924-E973 WeakPolarHBondContact CD2-OE2 3.46Å; M971-E973 HydrophobicContact CB-CB 4.45Å; M971-E973 HydrophobicContact CB-CG 4.45Å; M971-E973 HydrophobicContact CE-CB 4.45Å; M971-E973 HydrophobicContact CE-CG 4.34Å; M971-E973 VanDerWaalsContact CE-OE1 3.29Å; M971-E973 WeakPolarHBondContact CE-OE1 3.3Å; M971-E973 PolarHBondContact O-N 2.79Å | ||
| 974 | V | 84.7 | Confident | 82 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | trans | -115.9 | 144.2 | -179.2 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | L924 M940 V959 V968 D978 I1011 | L924-V974 HydrophobicContact CD1-CG2 3.42Å; L924-V974 VanDerWaalsContact CD1-CG2 3.42Å; M940-V974 HydrophobicContact CE-CG1 4.09Å; M940-V974 HydrophobicContact CE-CG2 4.39Å; V959-V974 HydrophobicContact CB-CG1 4.49Å; V959-V974 HydrophobicContact CG1-CG1 4.41Å; V959-V974 HydrophobicContact CG2-CG1 3.78Å; V968-V974 HydrophobicContact CG1-CB 3.69Å; V968-V974 HydrophobicContact CG1-CG1 4.26Å; V968-V974 HydrophobicContact CG1-CG2 4.07Å; V974-D978 WeakPolarHBondContact CA-OD2 3.22Å; V974-D978 HydrophobicContact CG1-CB 4.26Å; V974-I1011 HydrophobicContact CB-CD1 4.22Å; V974-I1011 HydrophobicContact CG1-CD1 3.83Å; V974-I1011 HydrophobicContact CG2-CD1 3.47Å; V974-I1011 VanDerWaalsContact CG2-CD1 3.47Å | ||
| 975 | K | 82.5 | Confident | 81.6 | Confident | 146 Ų | 146 | 39.3 Ų | 39.3 | 64% | 0.635 | 23% | 0.231 | S | C | * | . | trans | -127.3 | 160.9 | 174.6 | -63.2 | -174.1 | 178.8 | -175.2 | 0 | 111.2 | D978 | K975-D978 PolarHBondContact N-OD2 2.83Å; K975-D978 VanDerWaalsContact O-CB 3.27Å; K975-D978 WeakPolarHBondContact O-CB 3.36Å; K975-D978 PolarHBondContact O-N 2.93Å; K975-D978 VanDerWaalsContact O-N 3.15Å | ||
| 976 | E | 84.5 | Confident | 82 | Confident | 86 Ų | 86 | 40.1 Ų | 40.1 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 137.4 | 168.6 | -57.6 | -178 | 164.9 | 0 | 0 | 109.9 | A961 V962 D978 N1018 | A961-E976 WeakPolarHBondContact CA-OE1 3.33Å; V962-E976 HydrophobicContact CB-CG 4.13Å; V962-E976 HydrophobicContact CG2-CG 3.91Å; V962-E976 PolarHBondContact N-OE1 3.09Å; E976-D978 VanDerWaalsContact C-N 3.35Å; E976-N1018 VanDerWaalsContact CB-ND2 3.28Å; E976-N1018 WeakPolarHBondContact CB-ND2 3.47Å; E976-N1018 PolarHBondContact OE2-ND2 2.95Å |
| 977 | G | 80.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -7.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V959 Q979 L1017 N1018 | V959-G977 PolarHBondContact O-N 2.89Å; G977-Q979 PolarHBondContact O-N 2.8Å; G977-L1017 WeakPolarHBondContact O-CB 3.37Å; G977-L1017 WeakPolarHBondContact O-CD1 3.21Å; G977-N1018 WeakPolarHBondContact CA-OD1 3.48Å; G977-N1018 PolarHBondContact N-OD1 3.27Å; G977-N1018 VanDerWaalsContact N-OD1 3.11Å |
| 978 | D | 87.9 | Confident | 82.9 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 129.2 | 172.1 | -82.7 | -18 | 0 | 0 | 0 | 110.7 | Y958 V959 V974 K975 E976 I1011 S1013 | Y958-D978 WeakPolarHBondContact CA-O 3.39Å; V959-D978 HydrophobicContact CG2-CB 4.43Å; V959-D978 PolarHBondContact N-O 2.79Å; V974-D978 WeakPolarHBondContact CA-OD2 3.22Å; V974-D978 HydrophobicContact CG1-CB 4.26Å; K975-D978 PolarHBondContact N-OD2 2.83Å; K975-D978 VanDerWaalsContact O-CB 3.27Å; K975-D978 WeakPolarHBondContact O-CB 3.36Å; K975-D978 PolarHBondContact O-N 2.93Å; K975-D978 VanDerWaalsContact O-N 3.15Å; E976-D978 VanDerWaalsContact C-N 3.35Å; D978-I1011 HydrophobicContact CB-CG2 3.69Å; D978-S1013 WeakPolarHBondContact OD1-CA 3.35Å; D978-S1013 WeakPolarHBondContact OD1-CB 3.5Å; D978-S1013 PolarHBondContact OD1-OG 2.88Å |
| 979 | Q | 87.4 | Confident | 82.8 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129.7 | -179.5 | -179.9 | -176 | 3.4 | 0 | 0 | 110 | V956 T957 G977 L981 N989 I1011 K1012 L1017 | V956-Q979 HydrophobicContact CB-CG 4.43Å; T957-Q979 CarbonylContact O-C 3.52Å; T957-Q979 WeakPolarHBondContact O-CA 3.37Å; T957-Q979 WeakPolarHBondContact O-CG 3.26Å; G977-Q979 PolarHBondContact O-N 2.8Å; Q979-L981 HydrophobicContact CG-CD2 3.98Å; Q979-N989 PolarHBondContact NE2-OD1 2.75Å; Q979-I1011 CarbonylContact O-C 3.52Å; Q979-I1011 WeakPolarHBondContact O-CA 3.47Å; Q979-K1012 HydrophobicContact CB-CB 4.28Å; Q979-K1012 PolarHBondContact N-O 2.87Å; Q979-K1012 VanDerWaalsContact N-O 3.15Å; Q979-K1012 PolarHBondContact O-N 2.84Å; Q979-L1017 HydrophobicContact CB-CD1 4.32Å |
| 980 | I | 89.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.8 | 173.5 | -50.8 | -176.1 | 0 | 0 | 0 | 108.9 | M940 V942 T957 V959 E982 W983 L988 L1010 | M940-I980 HydrophobicContact SD-CD1 4.34Å; V942-I980 HydrophobicContact CB-CD1 4.46Å; V942-I980 HydrophobicContact CG1-CD1 3.87Å; V942-I980 HydrophobicContact CG2-CD1 3.67Å; T957-I980 HydrophobicContact CG2-CB 4.17Å; T957-I980 PolarHBondContact O-N 2.78Å; V959-I980 HydrophobicContact CG2-CD1 3.97Å; V959-I980 HydrophobicContact CG2-CG1 4.08Å; I980-E982 WeakPolarHBondContact CG2-O 3.5Å; I980-W983 HydrophobicContact CD1-CZ3 4.39Å; I980-L988 HydrophobicContact CG2-CD1 3.97Å; I980-L1010 CarbonylContact C-O 3.55Å; I980-L1010 WeakPolarHBondContact CA-O 3.28Å |
| 981 | L | 87.1 | Confident | 83.2 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -42.5 | -177.9 | -62.7 | -175.7 | 0 | 0 | 0 | 112.8 | L921 Q979 Q987 L988 N989 L1010 K1012 | L921-L981 HydrophobicContact CD2-CD1 3.47Å; L921-L981 VanDerWaalsContact CD2-CD1 3.47Å; Q979-L981 HydrophobicContact CG-CD2 3.98Å; L981-Q987 CarbonylContact O-C 3.49Å; L981-Q987 WeakPolarHBondContact O-CA 3.45Å; L981-Q987 PolarHBondContact O-NE2 3.4Å; L981-Q987 PolarHBondContact O-OE1 2.92Å; L981-L988 PolarHBondContact O-N 3.15Å; L981-N989 VanDerWaalsContact CD2-OD1 3.25Å; L981-N989 WeakPolarHBondContact CD2-OD1 3.41Å; L981-L1010 HydrophobicContact CB-CD2 3.9Å; L981-L1010 HydrophobicContact CB-CG 4.32Å; L981-L1010 HydrophobicContact CD1-CD2 4.21Å; L981-L1010 PolarHBondContact N-O 2.86Å; L981-K1012 HydrophobicContact CD1-CB 4.06Å; L981-K1012 HydrophobicContact CD1-CD 4.47Å; L981-K1012 HydrophobicContact CG-CB 4.21Å |
| 982 | E | 89.4 | Confident | 83.9 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.8 | 176.5 | -60.1 | 170.7 | -147.8 | 0 | 0 | 110.9 | R923 I980 I986 I1009 L1010 | R923-E982 IonicContact CZ-OE1 2.81Å; R923-E982 IonicContact CZ-OE2 3.1Å; R923-E982 VanDerWaalsContact CZ-OE2 3.24Å; R923-E982 IonicContact NH1-OE2 3.85Å; R923-E982 PolarHBondContact NH1-OE2 2.9Å; R923-E982 IonicContact NH2-OE1 3.45Å; R923-E982 PolarHBondContact NH2-OE1 3.38Å; R923-E982 IonicContact NH2-OE2 3.22Å; R923-E982 PolarHBondContact NH2-OE2 2.91Å; I980-E982 WeakPolarHBondContact CG2-O 3.5Å; E982-I986 CarbonylContact C-O 3.58Å; E982-I986 VanDerWaalsContact CA-O 3.3Å; E982-I986 WeakPolarHBondContact CA-O 3.33Å; E982-I1009 WeakPolarHBondContact O-CA 3.45Å; E982-L1010 HydrophobicContact CB-CB 3.68Å; E982-L1010 HydrophobicContact CB-CD2 4.37Å; E982-L1010 HydrophobicContact CG-CB 4.08Å; E982-L1010 HydrophobicContact CG-CD2 3.83Å; E982-L1010 PolarHBondContact O-N 3.01Å; E982-L1010 WeakPolarHBondContact OE1-CD2 3.37Å |
| 983 | W | 87.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 114 | 173.3 | -175.5 | -75.1 | 0 | 0 | 0 | 109.5 | L938 V942 I980 G985 I986 L988 V999 I1000 T1003 V1007 I1009 | L938-W983 HydrophobicContact CD1-CH2 3.66Å; L938-W983 HydrophobicContact CD1-CZ2 4.37Å; L938-W983 HydrophobicContact CD1-CZ3 4.43Å; V942-W983 HydrophobicContact CG2-CZ3 4.31Å; I980-W983 HydrophobicContact CD1-CZ3 4.39Å; W983-G985 PolarHBondContact O-N 3.36Å; W983-I986 PolarHBondContact N-O 2.94Å; W983-I986 WeakPolarHBondContact O-CB 3.49Å; W983-I986 WeakPolarHBondContact O-CG1 3.26Å; W983-I986 PolarHBondContact O-N 2.98Å; W983-L988 HydrophobicContact CB-CD1 3.79Å; W983-L988 HydrophobicContact CB-CD2 4.14Å; W983-L988 HydrophobicContact CB-CG 4.01Å; W983-V999 HydrophobicContact CB-CG1 4.14Å; W983-V999 VanDerWaalsContact CD1-CG1 3.46Å; W983-V999 HydrophobicContact CG-CG1 3.92Å; W983-I1000 HydrophobicContact CD2-CG1 4.11Å; W983-I1000 HydrophobicContact CE3-CG1 4.13Å; W983-I1000 HydrophobicContact CH2-CG1 3.94Å; W983-I1000 HydrophobicContact CH2-CG2 4.24Å; W983-I1000 HydrophobicContact CZ2-CB 4.21Å; W983-I1000 HydrophobicContact CZ2-CG1 3.9Å; W983-I1000 HydrophobicContact CZ2-CG2 4.17Å; W983-I1000 HydrophobicContact CZ3-CD1 4.48Å; W983-I1000 HydrophobicContact CZ3-CG1 4.05Å; W983-T1003 PolarHBondContact NE1-OG1 2.86Å; W983-V1007 HydrophobicContact CD2-CG1 3.84Å; W983-V1007 HydrophobicContact CE3-CG1 4.38Å; W983-V1007 HydrophobicContact CG-CG1 4.3Å; W983-V1007 HydrophobicContact CH2-CG1 4.15Å; W983-V1007 HydrophobicContact CZ2-CG1 3.57Å; W983-V1007 HydrophobicContact CZ2-CG2 4.22Å; W983-I1009 HydrophobicContact CD2-CG2 3.93Å; W983-I1009 HydrophobicContact CE3-CG2 3.42Å; W983-I1009 VanDerWaalsContact CE3-CG2 3.42Å; W983-I1009 HydrophobicContact CH2-CG2 4.47Å; W983-I1009 HydrophobicContact CZ3-CG2 3.73Å |
| 984 | N | 83 | Confident | 84.9 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 37.8 | -167.1 | -75.2 | -7.5 | 0 | 0 | 0 | 113.1 | I986 T1003 E1006 V1007 E1008 | N984-I986 PolarHBondContact O-N 3.3Å; N984-T1003 WeakPolarHBondContact ND2-CG2 3.44Å; N984-E1006 PolarHBondContact ND2-O 2.99Å; N984-V1007 WeakPolarHBondContact OD1-CA 3.17Å; N984-E1008 PolarHBondContact N-O 3.12Å; N984-E1008 PolarHBondContact OD1-N 3Å |
| 985 | G | 74.4 | Confident | 85 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | W983 | W983-G985 PolarHBondContact O-N 3.36Š|
| 986 | I | 83.1 | Confident | 85.3 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 35% | 0.349 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.6 | 175.8 | -55.6 | 170.7 | 0 | 0 | 0 | 108.5 | E982 W983 N984 V999 | E982-I986 CarbonylContact C-O 3.58Å; E982-I986 VanDerWaalsContact CA-O 3.3Å; E982-I986 WeakPolarHBondContact CA-O 3.33Å; W983-I986 PolarHBondContact N-O 2.94Å; W983-I986 WeakPolarHBondContact O-CB 3.49Å; W983-I986 WeakPolarHBondContact O-CG1 3.26Å; W983-I986 PolarHBondContact O-N 2.98Å; N984-I986 PolarHBondContact O-N 3.3Å; I986-V999 HydrophobicContact CD1-CG1 4.13Å; I986-V999 HydrophobicContact CD1-CG2 4.45Å; I986-V999 HydrophobicContact CG2-CG2 4.27Å |
| 987 | Q | 85.8 | Confident | 85.5 | Confident | 87 Ų | 87 | 43 Ų | 43 | 41% | 0.407 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 137.6 | 174.8 | -165.4 | 69.7 | 16 | 0 | 0 | 111.1 | L981 N989 K991 | L981-Q987 CarbonylContact O-C 3.49Å; L981-Q987 WeakPolarHBondContact O-CA 3.45Å; L981-Q987 PolarHBondContact O-NE2 3.4Å; L981-Q987 PolarHBondContact O-OE1 2.92Å; Q987-N989 HydrophobicContact CG-CB 4.35Å; Q987-K991 WeakPolarHBondContact O-CD 3.41Å; Q987-K991 VanDerWaalsContact O-CE 3.23Å; Q987-K991 WeakPolarHBondContact O-CE 3.41Å; Q987-K991 PolarHBondContact O-NZ 3.27Å |
| 988 | L | 85.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -112.6 | -8.5 | 179 | -59.6 | -166.1 | 0 | 0 | 0 | 114.4 | T957 I980 L981 W983 K991 V996 V999 | T957-L988 HydrophobicContact CG2-CD1 3.88Å; T957-L988 PolarHBondContact OG1-O 2.81Å; I980-L988 HydrophobicContact CG2-CD1 3.97Å; L981-L988 PolarHBondContact O-N 3.15Å; W983-L988 HydrophobicContact CB-CD1 3.79Å; W983-L988 HydrophobicContact CB-CD2 4.14Å; W983-L988 HydrophobicContact CB-CG 4.01Å; L988-K991 HydrophobicContact CD2-CD 4.38Å; L988-V996 HydrophobicContact CB-CG2 4.47Å; L988-V996 HydrophobicContact CD1-CG1 4.32Å; L988-V996 HydrophobicContact CD2-CG2 4.4Å; L988-V999 HydrophobicContact CD2-CB 4.46Å; L988-V999 HydrophobicContact CD2-CG1 4.14Å | ||
| 989 | N | 82.2 | Confident | 85.6 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 148.1 | 164.7 | -74.3 | 26.7 | 0 | 0 | 0 | 110.2 | E954 L955 Q979 L981 Q987 K991 | E954-N989 PolarHBondContact OE2-ND2 3.4Å; E954-N989 VanDerWaalsContact OE2-ND2 3.17Å; L955-N989 CarbonylContact O-C 3.6Å; L955-N989 WeakPolarHBondContact O-CA 3.32Å; Q979-N989 PolarHBondContact NE2-OD1 2.75Å; L981-N989 VanDerWaalsContact CD2-OD1 3.25Å; L981-N989 WeakPolarHBondContact CD2-OD1 3.41Å; Q987-N989 HydrophobicContact CG-CB 4.35Å; N989-K991 PolarHBondContact O-N 3.38Å |
| 990 | G | 81 | Confident | 85.5 | Confident | 54 Ų | 54 | 51 Ų | 51 | 56% | 0.557 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -0.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L955 | L955-G990 PolarHBondContact O-N 2.69Š|
| 991 | K | 85.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 56 Ų | 56 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | trans | -97.7 | 148.2 | -176.1 | -71.9 | -170.1 | 172.4 | 164.8 | 0 | 113.8 | G945 Q987 L988 N989 E995 V996 | G945-K991 VanDerWaalsContact CA-O 3.26Å; G945-K991 WeakPolarHBondContact CA-O 3.46Å; G945-K991 PolarHBondContact N-O 3.17Å; Q987-K991 WeakPolarHBondContact O-CD 3.41Å; Q987-K991 VanDerWaalsContact O-CE 3.23Å; Q987-K991 WeakPolarHBondContact O-CE 3.41Å; Q987-K991 PolarHBondContact O-NZ 3.27Å; L988-K991 HydrophobicContact CD2-CD 4.38Å; N989-K991 PolarHBondContact O-N 3.38Å; K991-E995 HydrophobicContact CB-CB 4.21Å; K991-E995 HydrophobicContact CD-CB 4.21Å; K991-E995 HydrophobicContact CG-CB 4.46Å; K991-V996 HydrophobicContact CB-CG2 3.72Å | ||
| 992 | T | 86.5 | Confident | 84.7 | Confident | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -70.6 | 162.9 | 172.4 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | E994 E995 V996 | T992-E994 VanDerWaalsContact C-N 3.26Å; T992-E994 PolarHBondContact O-N 3.4Å; T992-E995 WeakPolarHBondContact CB-OE2 3.45Å; T992-E995 PolarHBondContact N-OE2 2.66Å; T992-E995 PolarHBondContact O-N 3.3Å; T992-E995 VanDerWaalsContact OG1-CG 3.27Å; T992-E995 WeakPolarHBondContact OG1-CG 3.5Å; T992-E995 PolarHBondContact OG1-N 3.15Å; T992-E995 PolarHBondContact OG1-OE2 3.08Å; T992-V996 WeakPolarHBondContact O-CG2 3.28Å; T992-V996 PolarHBondContact O-N 3.18Å; T992-V996 VanDerWaalsContact O-N 3.07Å | ||
| 993 | Y | 85.6 | Confident | 84 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 43% | 0.427 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.3 | -42.6 | 173.9 | 175.2 | -96.6 | 0 | 0 | 0 | 112 | I943 V996 Q997 | I943-Y993 HydrophobicContact CG2-CD2 4.35Å; Y993-V996 PolarHBondContact O-N 3.25Å; Y993-Q997 VanDerWaalsContact O-CB 3.26Å; Y993-Q997 WeakPolarHBondContact O-CB 3.3Å; Y993-Q997 PolarHBondContact O-N 2.89Å |
| 994 | E | 88.1 | Confident | 83.2 | Confident | 155 Ų | 155 | 65.9 Ų | 65.9 | 72% | 0.724 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.8 | -42.3 | -178.7 | -63 | 179.9 | -169.4 | 0 | 0 | 112.4 | T992 K998 | T992-E994 VanDerWaalsContact C-N 3.26Å; T992-E994 PolarHBondContact O-N 3.4Å; E994-K998 WeakPolarHBondContact O-CB 3.34Å; E994-K998 PolarHBondContact O-N 3.11Å |
| 995 | E | 87.7 | Confident | 82.7 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.8 | -69.6 | 168.7 | 113.9 | 0 | 0 | 112.3 | K991 T992 V999 | K991-E995 HydrophobicContact CB-CB 4.21Å; K991-E995 HydrophobicContact CD-CB 4.21Å; K991-E995 HydrophobicContact CG-CB 4.46Å; T992-E995 WeakPolarHBondContact CB-OE2 3.45Å; T992-E995 PolarHBondContact N-OE2 2.66Å; T992-E995 PolarHBondContact O-N 3.3Å; T992-E995 VanDerWaalsContact OG1-CG 3.27Å; T992-E995 WeakPolarHBondContact OG1-CG 3.5Å; T992-E995 PolarHBondContact OG1-N 3.15Å; T992-E995 PolarHBondContact OG1-OE2 3.08Å; E995-V999 WeakPolarHBondContact O-CG2 3.39Å; E995-V999 PolarHBondContact O-N 3.13Å |
| 996 | V | 88.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 176.8 | 168.9 | 0 | 0 | 0 | 0 | 110.1 | V942 T957 L988 K991 T992 Y993 K998 V999 I1000 | V942-V996 HydrophobicContact CG1-CG1 4.46Å; T957-V996 HydrophobicContact CG2-CG1 3.73Å; T957-V996 WeakPolarHBondContact OG1-CG2 3.39Å; L988-V996 HydrophobicContact CB-CG2 4.47Å; L988-V996 HydrophobicContact CD1-CG1 4.32Å; L988-V996 HydrophobicContact CD2-CG2 4.4Å; K991-V996 HydrophobicContact CB-CG2 3.72Å; T992-V996 WeakPolarHBondContact O-CG2 3.28Å; T992-V996 PolarHBondContact O-N 3.18Å; T992-V996 VanDerWaalsContact O-N 3.07Å; Y993-V996 PolarHBondContact O-N 3.25Å; V996-K998 PolarHBondContact O-N 3.22Å; V996-V999 PolarHBondContact O-N 3.23Å; V996-I1000 HydrophobicContact CG1-CD1 3.68Å; V996-I1000 WeakPolarHBondContact O-CB 3.23Å; V996-I1000 WeakPolarHBondContact O-CD1 3.36Å; V996-I1000 WeakPolarHBondContact O-CG1 3.39Å; V996-I1000 PolarHBondContact O-N 3.1Å |
| 997 | Q | 88.1 | Confident | 82.6 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.8 | -169.8 | 58.7 | 43.8 | 0 | 0 | 111.3 | Y993 V999 I1000 D1001 | Y993-Q997 VanDerWaalsContact O-CB 3.26Å; Y993-Q997 WeakPolarHBondContact O-CB 3.3Å; Y993-Q997 PolarHBondContact O-N 2.89Å; Q997-V999 PolarHBondContact O-N 3.34Å; Q997-I1000 WeakPolarHBondContact O-CB 3.45Å; Q997-I1000 PolarHBondContact O-N 3.14Å; Q997-D1001 WeakPolarHBondContact CG-OD2 3.48Å; Q997-D1001 PolarHBondContact NE2-OD1 3.06Å; Q997-D1001 PolarHBondContact NE2-OD2 2.94Å; Q997-D1001 WeakPolarHBondContact O-CB 3.38Å; Q997-D1001 PolarHBondContact O-N 2.68Å |
| 998 | K | 85 | Confident | 82.4 | Confident | 160 Ų | 160 | 60.8 Ų | 60.8 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 174.6 | -177.5 | 177.1 | -179.3 | 178.4 | 0 | 112.7 | E994 V996 S1002 | E994-K998 WeakPolarHBondContact O-CB 3.34Å; E994-K998 PolarHBondContact O-N 3.11Å; V996-K998 PolarHBondContact O-N 3.22Å; K998-S1002 WeakPolarHBondContact O-CB 3.44Å; K998-S1002 PolarHBondContact O-N 3.13Å; K998-S1002 PolarHBondContact O-OG 3.15Å; K998-S1002 VanDerWaalsContact O-OG 3.14Å |
| 999 | V | 86.6 | Confident | 82.5 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 174.1 | 166.6 | 0 | 0 | 0 | 0 | 110.3 | W983 I986 L988 E995 V996 Q997 D1001 S1002 T1003 | W983-V999 HydrophobicContact CB-CG1 4.14Å; W983-V999 VanDerWaalsContact CD1-CG1 3.46Å; W983-V999 HydrophobicContact CG-CG1 3.92Å; I986-V999 HydrophobicContact CD1-CG1 4.13Å; I986-V999 HydrophobicContact CD1-CG2 4.45Å; I986-V999 HydrophobicContact CG2-CG2 4.27Å; L988-V999 HydrophobicContact CD2-CB 4.46Å; L988-V999 HydrophobicContact CD2-CG1 4.14Å; E995-V999 WeakPolarHBondContact O-CG2 3.39Å; E995-V999 PolarHBondContact O-N 3.13Å; V996-V999 PolarHBondContact O-N 3.23Å; Q997-V999 PolarHBondContact O-N 3.34Å; V999-D1001 PolarHBondContact O-N 3.27Å; V999-S1002 PolarHBondContact O-N 3.08Å; V999-S1002 PolarHBondContact O-OG 3.43Å; V999-T1003 PolarHBondContact O-N 3.45Å |
| 1000 | I | 85.6 | Confident | 82.7 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 179.1 | -71.4 | 169.3 | 0 | 0 | 0 | 111.5 | R928 V942 W983 V996 Q997 T1003 | R928-I1000 VanDerWaalsContact CZ-O 3.24Å; R928-I1000 PolarHBondContact NH1-O 2.96Å; R928-I1000 VanDerWaalsContact NH2-CG2 3.26Å; R928-I1000 PolarHBondContact NH2-O 2.8Å; V942-I1000 HydrophobicContact CB-CD1 3.75Å; V942-I1000 HydrophobicContact CG1-CD1 3.67Å; V942-I1000 HydrophobicContact CG2-CD1 4.38Å; W983-I1000 HydrophobicContact CD2-CG1 4.11Å; W983-I1000 HydrophobicContact CE3-CG1 4.13Å; W983-I1000 HydrophobicContact CH2-CG1 3.94Å; W983-I1000 HydrophobicContact CH2-CG2 4.24Å; W983-I1000 HydrophobicContact CZ2-CB 4.21Å; W983-I1000 HydrophobicContact CZ2-CG1 3.9Å; W983-I1000 HydrophobicContact CZ2-CG2 4.17Å; W983-I1000 HydrophobicContact CZ3-CD1 4.48Å; W983-I1000 HydrophobicContact CZ3-CG1 4.05Å; V996-I1000 HydrophobicContact CG1-CD1 3.68Å; V996-I1000 WeakPolarHBondContact O-CB 3.23Å; V996-I1000 WeakPolarHBondContact O-CD1 3.36Å; V996-I1000 WeakPolarHBondContact O-CG1 3.39Å; V996-I1000 PolarHBondContact O-N 3.1Å; Q997-I1000 WeakPolarHBondContact O-CB 3.45Å; Q997-I1000 PolarHBondContact O-N 3.14Å; I1000-T1003 PolarHBondContact O-N 3.3Å; I1000-T1003 PolarHBondContact O-OG1 3.15Å |
| 1001 | D | 81.4 | Confident | 83.1 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 57% | 0.567 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -76 | -29.4 | -177.4 | -66.3 | -24.6 | 0 | 0 | 0 | 112.7 | Q997 V999 T1003 | Q997-D1001 WeakPolarHBondContact CG-OD2 3.48Å; Q997-D1001 PolarHBondContact NE2-OD1 3.06Å; Q997-D1001 PolarHBondContact NE2-OD2 2.94Å; Q997-D1001 WeakPolarHBondContact O-CB 3.38Å; Q997-D1001 PolarHBondContact O-N 2.68Å; V999-D1001 PolarHBondContact O-N 3.27Å; D1001-T1003 PolarHBondContact O-N 3.05Å |
| 1002 | S | 79 | Confident | 83 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 59% | 0.594 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.2 | -12.3 | 174.2 | 71.6 | 0 | 0 | 0 | 0 | 114.6 | K998 V999 | K998-S1002 WeakPolarHBondContact O-CB 3.44Å; K998-S1002 PolarHBondContact O-N 3.13Å; K998-S1002 PolarHBondContact O-OG 3.15Å; K998-S1002 VanDerWaalsContact O-OG 3.14Å; V999-S1002 PolarHBondContact O-N 3.08Å; V999-S1002 PolarHBondContact O-OG 3.43Å |
| 1003 | T | 74.4 | Confident | 82.3 | Confident | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | trans | -97.8 | 108.2 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | R928 W983 N984 V999 I1000 D1001 | R928-T1003 WeakPolarHBondContact CD-O 3.47Å; R928-T1003 PolarHBondContact NH1-O 3.29Å; W983-T1003 PolarHBondContact NE1-OG1 2.86Å; N984-T1003 WeakPolarHBondContact ND2-CG2 3.44Å; V999-T1003 PolarHBondContact O-N 3.45Å; I1000-T1003 PolarHBondContact O-N 3.3Å; I1000-T1003 PolarHBondContact O-OG1 3.15Å; D1001-T1003 PolarHBondContact O-N 3.05Å | ||
| 1004 | E | 69.7 | Low | 81.1 | Confident | 159 Ų | 159 | 53.6 Ų | 53.6 | 74% | 0.743 | 28% | 0.279 | S | S | * | . | trans | -96 | 147.7 | 172.2 | 62.2 | 179.2 | 163.2 | 0 | 0 | 112.3 | E1006 | E1004-E1006 PolarHBondContact O-N 3.49Å; E1004-E1006 VanDerWaalsContact O-N 3.11Å | ||
| 1005 | G | 73.1 | Confident | 79.5 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 63.5 | -111.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | R928 | R928-G1005 WeakPolarHBondContact CB-O 3.22Å; R928-G1005 WeakPolarHBondContact CG-O 3.48Å; R928-G1005 PolarHBondContact N-O 2.85Å |
| 1006 | E | 73.9 | Confident | 77.8 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.9 | -163.6 | -48.3 | -164.8 | 138.5 | 0 | 0 | 113.4 | V927 N984 E1004 R1147 | V927-E1006 HydrophobicContact CG1-CG 4.35Å; V927-E1006 HydrophobicContact CG2-CG 4.18Å; N984-E1006 PolarHBondContact ND2-O 2.99Å; E1004-E1006 PolarHBondContact O-N 3.49Å; E1004-E1006 VanDerWaalsContact O-N 3.11Å; E1006-R1147 IonicContact OE1-CZ 3.54Å; E1006-R1147 IonicContact OE1-NE 2.63Å; E1006-R1147 PolarHBondContact OE1-NE 2.98Å; E1006-R1147 IonicContact OE1-NH2 2.89Å; E1006-R1147 PolarHBondContact OE1-NH2 3.31Å; E1006-R1147 IonicContact OE2-CZ 2.6Å; E1006-R1147 IonicContact OE2-NE 2.76Å; E1006-R1147 PolarHBondContact OE2-NE 3.38Å; E1006-R1147 IonicContact OE2-NH2 2.69Å; E1006-R1147 PolarHBondContact OE2-NH2 3.35Å |
| 1007 | V | 80.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.3 | -175.5 | -169.4 | 0 | 0 | 0 | 0 | 111.8 | L925 L926 R928 W983 N984 I1009 | L925-V1007 CarbonylContact C-O 3.55Å; L925-V1007 WeakPolarHBondContact CA-O 3.3Å; L926-V1007 PolarHBondContact N-O 2.94Å; L926-V1007 PolarHBondContact O-N 2.93Å; R928-V1007 HydrophobicContact CG-CG2 4.06Å; W983-V1007 HydrophobicContact CD2-CG1 3.84Å; W983-V1007 HydrophobicContact CE3-CG1 4.38Å; W983-V1007 HydrophobicContact CG-CG1 4.3Å; W983-V1007 HydrophobicContact CH2-CG1 4.15Å; W983-V1007 HydrophobicContact CZ2-CG1 3.57Å; W983-V1007 HydrophobicContact CZ2-CG2 4.22Å; N984-V1007 WeakPolarHBondContact OD1-CA 3.17Å; V1007-I1009 HydrophobicContact CG1-CG2 3.6Å |
| 1008 | E | 81.3 | Confident | 74.6 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 100.6 | 172.5 | -166.4 | 167.1 | -150.3 | 0 | 0 | 110.2 | R923 L924 L925 N984 K1145 | R923-E1008 HydrophobicContact CG-CG 4.02Å; L924-E1008 CarbonylContact O-C 3.58Å; L924-E1008 VanDerWaalsContact O-CA 3.31Å; L924-E1008 WeakPolarHBondContact O-CA 3.16Å; L925-E1008 HydrophobicContact CD1-CB 4Å; N984-E1008 PolarHBondContact N-O 3.12Å; N984-E1008 PolarHBondContact OD1-N 3Å; E1008-K1145 IonicContact OE1-NZ 2.64Å; E1008-K1145 PolarHBondContact OE1-NZ 3.44Å; E1008-K1145 IonicContact OE2-NZ 2.93Å; E1008-K1145 PolarHBondContact OE2-NZ 3.48Å |
| 1009 | I | 88.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 144.2 | 179.4 | 63.4 | -178.2 | 0 | 0 | 0 | 111.5 | R923 L924 L926 M940 E982 W983 V1007 I1011 | R923-I1009 CarbonylContact C-O 3.51Å; R923-I1009 WeakPolarHBondContact CA-O 3.37Å; L924-I1009 HydrophobicContact CB-CG1 4.03Å; L924-I1009 PolarHBondContact N-O 3.22Å; L924-I1009 PolarHBondContact O-N 3.1Å; L926-I1009 HydrophobicContact CD1-CD1 3.55Å; L926-I1009 HydrophobicContact CD1-CG1 3.7Å; M940-I1009 HydrophobicContact CE-CD1 3.88Å; E982-I1009 WeakPolarHBondContact O-CA 3.45Å; W983-I1009 HydrophobicContact CD2-CG2 3.93Å; W983-I1009 HydrophobicContact CE3-CG2 3.42Å; W983-I1009 VanDerWaalsContact CE3-CG2 3.42Å; W983-I1009 HydrophobicContact CH2-CG2 4.47Å; W983-I1009 HydrophobicContact CZ3-CG2 3.73Å; V1007-I1009 HydrophobicContact CG1-CG2 3.6Å; I1009-I1011 HydrophobicContact CD1-CD1 3.74Å; I1009-I1011 HydrophobicContact CD1-CG1 4.14Å; I1009-I1011 HydrophobicContact CG1-CD1 4.17Å; I1009-I1011 HydrophobicContact CG1-CG1 4.22Å |
| 1010 | L | 87.1 | Confident | 71.1 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.7 | 169.1 | -176.1 | 74.8 | 0 | 0 | 0 | 109.7 | W916 K922 R923 I980 L981 E982 | W916-L1010 HydrophobicContact CH2-CD1 3.51Å; W916-L1010 HydrophobicContact CH2-CD2 3.6Å; W916-L1010 HydrophobicContact CH2-CG 4.21Å; W916-L1010 HydrophobicContact CZ3-CD1 3.55Å; W916-L1010 HydrophobicContact CZ3-CD2 3.71Å; W916-L1010 HydrophobicContact CZ3-CG 4.18Å; K922-L1010 WeakPolarHBondContact O-CA 3.5Å; K922-L1010 WeakPolarHBondContact O-CD1 3.25Å; R923-L1010 HydrophobicContact CB-CD1 3.99Å; I980-L1010 CarbonylContact C-O 3.55Å; I980-L1010 WeakPolarHBondContact CA-O 3.28Å; L981-L1010 HydrophobicContact CB-CD2 3.9Å; L981-L1010 HydrophobicContact CB-CG 4.32Å; L981-L1010 HydrophobicContact CD1-CD2 4.21Å; L981-L1010 PolarHBondContact N-O 2.86Å; E982-L1010 HydrophobicContact CB-CB 3.68Å; E982-L1010 HydrophobicContact CB-CD2 4.37Å; E982-L1010 HydrophobicContact CG-CB 4.08Å; E982-L1010 HydrophobicContact CG-CD2 3.83Å; E982-L1010 PolarHBondContact O-N 3.01Å; E982-L1010 WeakPolarHBondContact OE1-CD2 3.37Å |
| 1011 | I | 88 | Confident | 69.2 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.5 | -176 | -64.7 | 174.6 | 0 | 0 | 0 | 110.1 | L921 K922 L924 V974 D978 Q979 I1009 | L921-I1011 CarbonylContact C-O 3.51Å; L921-I1011 VanDerWaalsContact CA-O 3.27Å; L921-I1011 WeakPolarHBondContact CA-O 3.32Å; K922-I1011 HydrophobicContact CB-CB 4.49Å; K922-I1011 PolarHBondContact N-O 3.04Å; K922-I1011 PolarHBondContact O-N 3.11Å; L924-I1011 HydrophobicContact CD1-CD1 3.81Å; L924-I1011 HydrophobicContact CG-CD1 4.4Å; V974-I1011 HydrophobicContact CB-CD1 4.22Å; V974-I1011 HydrophobicContact CG1-CD1 3.83Å; V974-I1011 HydrophobicContact CG2-CD1 3.47Å; V974-I1011 VanDerWaalsContact CG2-CD1 3.47Å; D978-I1011 HydrophobicContact CB-CG2 3.69Å; Q979-I1011 CarbonylContact O-C 3.52Å; Q979-I1011 WeakPolarHBondContact O-CA 3.47Å; I1009-I1011 HydrophobicContact CD1-CD1 3.74Å; I1009-I1011 HydrophobicContact CD1-CG1 4.14Å; I1009-I1011 HydrophobicContact CG1-CD1 4.17Å; I1009-I1011 HydrophobicContact CG1-CG1 4.22Å |
| 1012 | K | 83.5 | Confident | 67.3 | Low | 87 Ų | 87 | 56.5 Ų | 56.5 | 38% | 0.378 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 102.7 | 166.1 | 178.2 | -178.4 | 158 | -154.1 | 0 | 108.4 | L921 Q979 L981 | L921-K1012 HydrophobicContact CD2-CB 3.6Å; L921-K1012 HydrophobicContact CD2-CG 4.05Å; Q979-K1012 HydrophobicContact CB-CB 4.28Å; Q979-K1012 PolarHBondContact N-O 2.87Å; Q979-K1012 VanDerWaalsContact N-O 3.15Å; Q979-K1012 PolarHBondContact O-N 2.84Å; L981-K1012 HydrophobicContact CD1-CB 4.06Å; L981-K1012 HydrophobicContact CD1-CD 4.47Å; L981-K1012 HydrophobicContact CG-CB 4.21Å |
| 1013 | S | 72.9 | Confident | 65.3 | Low | 22 Ų | 22 | 59.6 Ų | 59.6 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | trans | -73.7 | 152.8 | 178 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | R920 D978 | R920-S1013 WeakPolarHBondContact CB-O 3.28Å; R920-S1013 WeakPolarHBondContact CD-O 3.09Å; R920-S1013 PolarHBondContact O-N 2.92Å; D978-S1013 WeakPolarHBondContact OD1-CA 3.35Å; D978-S1013 WeakPolarHBondContact OD1-CB 3.5Å; D978-S1013 PolarHBondContact OD1-OG 2.88Å | ||
| 1014 | G | 58.9 | Low | 63.5 | Low | 39 Ų | 39 | 67.2 Ų | 67.2 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | trans | 76 | 50.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115 | R920 | R920-G1014 PolarHBondContact NH1-O 2.76Š| ||
| 1015 | A | 55 | Low | 61.6 | Low | 46 Ų | 46 | 67.8 Ų | 67.8 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | trans | -115.2 | 135 | 130.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | L1017 | A1015-L1017 PolarHBondContact O-N 3.08Š| ||
| 1016 | N | 51.5 | Low | 59.5 | Low | 112 Ų | 112 | 69.7 Ų | 69.7 | 60% | 0.599 | 38% | 0.376 | S | S | * | . | trans | -78.2 | 69.2 | 178 | -70.1 | -30.7 | 0 | 0 | 0 | 109.9 | N1018 Q1019 | N1016-N1018 PolarHBondContact O-N 3.15Å; N1016-N1018 VanDerWaalsContact O-N 3.1Å; N1016-Q1019 HydrophobicContact CB-CB 4.45Å; N1016-Q1019 HydrophobicContact CB-CG 4.03Å; N1016-Q1019 WeakPolarHBondContact O-CB 3.43Å; N1016-Q1019 PolarHBondContact O-N 3.31Å | ||
| 1017 | L | 58.9 | Low | 57.3 | Low | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54.6 | -29.4 | 179.1 | -106.6 | 134.3 | 0 | 0 | 0 | 112.3 | L948 Y958 G977 Q979 A1015 Q1019 V1020 Y1021 | L948-L1017 HydrophobicContact CD2-CD1 4.26Å; L948-L1017 HydrophobicContact CD2-CD2 3.51Å; L948-L1017 HydrophobicContact CD2-CG 3.76Å; Y958-L1017 HydrophobicContact CD1-CD2 3.99Å; Y958-L1017 HydrophobicContact CD2-CB 4.4Å; Y958-L1017 HydrophobicContact CD2-CD2 4.17Å; Y958-L1017 HydrophobicContact CE1-CD2 4.47Å; Y958-L1017 HydrophobicContact CG-CD1 4.4Å; Y958-L1017 HydrophobicContact CG-CD2 3.86Å; G977-L1017 WeakPolarHBondContact O-CB 3.37Å; G977-L1017 WeakPolarHBondContact O-CD1 3.21Å; Q979-L1017 HydrophobicContact CB-CD1 4.32Å; A1015-L1017 PolarHBondContact O-N 3.08Å; L1017-Q1019 PolarHBondContact O-N 2.77Å; L1017-V1020 WeakPolarHBondContact O-CB 3.38Å; L1017-V1020 PolarHBondContact O-N 2.78Å; L1017-Y1021 HydrophobicContact CD2-CE2 3.64Å; L1017-Y1021 WeakPolarHBondContact O-CD2 3.35Å |
| 1018 | N | 52.2 | Low | 55 | Low | 60 Ų | 60 | 80.7 Ų | 80.7 | 32% | 0.321 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.2 | -30.6 | 171.7 | -74.4 | 25.8 | 0 | 0 | 0 | 113.6 | E976 G977 N1016 V1020 Y1021 H1022 | E976-N1018 VanDerWaalsContact CB-ND2 3.28Å; E976-N1018 WeakPolarHBondContact CB-ND2 3.47Å; E976-N1018 PolarHBondContact OE2-ND2 2.95Å; G977-N1018 WeakPolarHBondContact CA-OD1 3.48Å; G977-N1018 PolarHBondContact N-OD1 3.27Å; G977-N1018 VanDerWaalsContact N-OD1 3.11Å; N1016-N1018 PolarHBondContact O-N 3.15Å; N1016-N1018 VanDerWaalsContact O-N 3.1Å; N1018-V1020 VanDerWaalsContact C-N 3.3Å; N1018-V1020 PolarHBondContact O-N 3.43Å; N1018-Y1021 PolarHBondContact O-N 3.39Å; N1018-Y1021 VanDerWaalsContact O-N 3.15Å; N1018-H1022 PolarHBondContact O-N 2.96Å |
| 1019 | Q | 49.2 | Very low | 52.5 | Low | 144 Ų | 144 | 84.7 Ų | 84.7 | 67% | 0.673 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71 | -25.2 | 176.5 | -70.2 | -179.8 | -40 | 0 | 0 | 112.6 | N1016 L1017 Y1021 | N1016-Q1019 HydrophobicContact CB-CB 4.45Å; N1016-Q1019 HydrophobicContact CB-CG 4.03Å; N1016-Q1019 WeakPolarHBondContact O-CB 3.43Å; N1016-Q1019 PolarHBondContact O-N 3.31Å; L1017-Q1019 PolarHBondContact O-N 2.77Å; Q1019-Y1021 VanDerWaalsContact C-N 3.28Å |
| 1020 | V | 48.5 | Very low | 49.8 | Very low | 55 Ų | 55 | 89.9 Ų | 89.9 | 33% | 0.333 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.3 | -23.7 | 171.3 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | P949 L1017 N1018 | P949-V1020 HydrophobicContact CG-CB 4.45Å; P949-V1020 HydrophobicContact CG-CG1 3.72Å; P949-V1020 HydrophobicContact CG-CG2 3.82Å; L1017-V1020 WeakPolarHBondContact O-CB 3.38Å; L1017-V1020 PolarHBondContact O-N 2.78Å; N1018-V1020 VanDerWaalsContact C-N 3.3Å; N1018-V1020 PolarHBondContact O-N 3.43Å |
| 1021 | Y | 46.2 | Very low | 47.3 | Very low | 76 Ų | 76 | 97 Ų | 97 | 30% | 0.298 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 11.2 | -176.2 | -63.1 | -58.6 | 0 | 0 | 0 | 115.3 | K946 Y958 L1017 N1018 Q1019 | K946-Y1021 HydrophobicContact CD-CE1 3.74Å; K946-Y1021 VanDerWaalsContact CD-OH 3.23Å; K946-Y1021 WeakPolarHBondContact CD-OH 3.46Å; Y958-Y1021 HydrophobicContact CD1-CE2 4.44Å; Y958-Y1021 HydrophobicContact CD2-CE2 4.12Å; Y958-Y1021 AromaticContact CE1-CE2 3.75Å; Y958-Y1021 HydrophobicContact CE1-CE2 3.75Å; Y958-Y1021 AromaticContact CE1-CZ 3.79Å; Y958-Y1021 WeakPolarHBondContact CE1-OH 3.46Å; Y958-Y1021 AromaticContact CE2-CD2 3.8Å; Y958-Y1021 HydrophobicContact CE2-CD2 3.8Å; Y958-Y1021 AromaticContact CE2-CE2 3.35Å; Y958-Y1021 HydrophobicContact CE2-CE2 3.35Å; Y958-Y1021 AromaticContact CZ-CD2 3.9Å; Y958-Y1021 AromaticContact CZ-CE2 3.14Å; Y958-Y1021 AromaticContact CZ-CZ 3.48Å; Y958-Y1021 VanDerWaalsContact CZ-CZ 3.48Å; Y958-Y1021 WeakPolarHBondContact OH-CE2 3.35Å; Y958-Y1021 VanDerWaalsContact OH-CZ 3.22Å; L1017-Y1021 HydrophobicContact CD2-CE2 3.64Å; L1017-Y1021 WeakPolarHBondContact O-CD2 3.35Å; N1018-Y1021 PolarHBondContact O-N 3.39Å; N1018-Y1021 VanDerWaalsContact O-N 3.15Å; Q1019-Y1021 VanDerWaalsContact C-N 3.28Å |
| 1022 | H | 40.2 | Very low | 44.7 | Very low | 158 Ų | 158 | 103.1 Ų | 103.1 | 73% | 0.731 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -117.9 | 14.5 | 177.2 | -146 | -51.1 | 0 | 0 | 0 | 114.3 | N1018 | N1018-H1022 PolarHBondContact O-N 2.96Š|
| 1023 | L | 37.2 | Very low | 42.4 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -113.5 | -2.5 | 179.5 | -162 | 57.3 | 0 | 0 | 0 | 114.2 | ||
| 1024 | E | 37.2 | Very low | 40.1 | Very low | 173 Ų | 173 | 110.4 Ų | 110.4 | 81% | 0.808 | 62% | 0.624 | S | S | * | * | trans | -114.1 | 85.3 | 178.2 | -65.4 | -81.3 | 141.4 | 0 | 0 | 109.1 | G1026 | E1024-G1026 VanDerWaalsContact C-N 3.31Å; E1024-G1026 PolarHBondContact O-N 3.16Å | ||
| 1025 | D | 29.8 | Very low | 38.6 | Very low | 170 Ų | 170 | 118.2 Ų | 118.2 | 91% | 0.909 | 64% | 0.643 | S | S | * | * | trans | -67.5 | 83.6 | 178.3 | -92.6 | -48.7 | 0 | 0 | 0 | 111.4 | ||||
| 1026 | G | 28.3 | Very low | 37.2 | Very low | 56 Ų | 56 | 124.6 Ų | 124.6 | 58% | 0.577 | 67% | 0.665 | S | S | * | * | trans | -140 | 61.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1024 S1028 | E1024-G1026 VanDerWaalsContact C-N 3.31Å; E1024-G1026 PolarHBondContact O-N 3.16Å; G1026-S1028 VanDerWaalsContact C-N 3.34Å; G1026-S1028 PolarHBondContact O-N 3.25Å | ||
| 1027 | Q | 27.7 | Very low | 36 | Very low | 187 Ų | 187 | 124 Ų | 124 | 87% | 0.874 | 67% | 0.67 | S | S | * | * | trans | 47.7 | 42.3 | 162.9 | -62.3 | -173.2 | -9.6 | 0 | 0 | 116.8 | T1029 | Q1027-T1029 PolarHBondContact O-N 3.22Š| ||
| 1028 | S | 32.7 | Very low | 34.2 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 71% | 0.705 | S | S | * | * | trans | -70 | 86.3 | 155.7 | -72 | 0 | 0 | 0 | 0 | 108.5 | G1026 | G1026-S1028 VanDerWaalsContact C-N 3.34Å; G1026-S1028 PolarHBondContact O-N 3.25Å | ||
| 1029 | T | 29.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | -54.6 | 138 | -177.5 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | Q1027 L1031 | Q1027-T1029 PolarHBondContact O-N 3.22Å; T1029-L1031 PolarHBondContact O-N 3.41Å | ||
| 1030 | S | 31 | Very low | 31.6 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -70.7 | 17.2 | -175.2 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | D1032 K1033 | S1030-D1032 PolarHBondContact O-N 3.49Å; S1030-K1033 PolarHBondContact O-N 3.07Å | ||
| 1031 | L | 34.8 | Very low | 30.6 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 48.2 | -165.2 | -147.9 | 161.3 | 0 | 0 | 0 | 111.9 | T1029 | T1029-L1031 PolarHBondContact O-N 3.41Š|
| 1032 | D | 33.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.8 | 13.5 | 158.5 | -139.2 | 5.3 | 0 | 0 | 0 | 114.3 | S1030 G1034 | S1030-D1032 PolarHBondContact O-N 3.49Å; D1032-G1034 PolarHBondContact O-N 3.07Å |
| 1033 | K | 35.7 | Very low | 28.5 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 48 | 166.1 | -69.3 | -166.7 | -178.4 | -174.1 | 0 | 110.7 | S1030 Y1035 | S1030-K1033 PolarHBondContact O-N 3.07Å; K1033-Y1035 VanDerWaalsContact C-N 3.27Å; K1033-Y1035 PolarHBondContact O-N 3.24Å | ||
| 1034 | G | 24.6 | Very low | 28.1 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 63.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1032 | D1032-G1034 PolarHBondContact O-N 3.07Š| ||
| 1035 | Y | 27.1 | Very low | 27.5 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -130.8 | 58.3 | 158.1 | 77 | -82.2 | 0 | 0 | 0 | 110.4 | K1033 S1037 | K1033-Y1035 VanDerWaalsContact C-N 3.27Å; K1033-Y1035 PolarHBondContact O-N 3.24Å; Y1035-S1037 PolarHBondContact O-N 2.74Å; Y1035-S1037 VanDerWaalsContact O-N 3.07Å | ||
| 1036 | E | 24.3 | Very low | 27 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -65.7 | 106 | 166.4 | -169.9 | 158.4 | -142.3 | 0 | 0 | 108.3 | ||||
| 1037 | S | 26.6 | Very low | 26.8 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -107.6 | 103.7 | 173.7 | 173 | 0 | 0 | 0 | 0 | 107.1 | Y1035 Y1039 | Y1035-S1037 PolarHBondContact O-N 2.74Å; Y1035-S1037 VanDerWaalsContact O-N 3.07Å; S1037-Y1039 PolarHBondContact O-N 3.21Å | ||
| 1038 | D | 22.4 | Very low | 26.8 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -56.4 | 100.2 | -175.6 | -65.2 | -58.6 | 0 | 0 | 0 | 112.4 | ||||
| 1039 | Y | 24.2 | Very low | 26.2 | Very low | 221 Ų | 221 | 145.4 Ų | 145.4 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -140 | 120.2 | 163.7 | -121.8 | -90.4 | 0 | 0 | 0 | 110.3 | S1037 G1041 | S1037-Y1039 PolarHBondContact O-N 3.21Å; Y1039-G1041 PolarHBondContact O-N 2.69Å | ||
| 1040 | V | 22.1 | Very low | 26.1 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | -75.6 | 97 | -166.7 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1041 | G | 26.9 | Very low | 25.5 | Very low | 73 Ų | 73 | 152.1 Ų | 152.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 119.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1039 | Y1039-G1041 PolarHBondContact O-N 2.69Š|
| 1042 | S | 22 | Very low | 25 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 159.5 | -175.1 | -164.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1043 | I | 21.3 | Very low | 24.4 | Very low | 158 Ų | 158 | 149 Ų | 149 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 121 | -169.3 | -63.1 | 162.3 | 0 | 0 | 0 | 111.8 | ||
| 1044 | V | 28.4 | Very low | 23.9 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -129.4 | 149.6 | 164.6 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1045 | K | 24.7 | Very low | 23.7 | Very low | 184 Ų | 184 | 152 Ų | 152 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -82.3 | 138.6 | -171.3 | -64.6 | 146.3 | -173 | 169.8 | 0 | 110.1 | ||||
| 1046 | R | 19.5 | Very low | 23.5 | Very low | 243 Ų | 243 | 145.3 Ų | 145.3 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | 70.1 | 143.1 | 70.6 | -120.3 | -172.1 | -162.9 | -174 | 5.7 | 113 | |||||
| 1047 | A | 24.1 | Very low | 23.4 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | 75.2 | 141.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1048 | D | 25.9 | Very low | 23.2 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | cis | -146.8 | 161.4 | -3.7 | -114.5 | -25.5 | 0 | 0 | 0 | 115.3 | ||||
| 1049 | V | 21.6 | Very low | 23.4 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 79% | 0.788 | 81% | 0.812 | S | S | * | * | trans | -88.1 | 139.2 | -174.3 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1050 | K | 26.2 | Very low | 23.4 | Very low | 212 Ų | 212 | 148 Ų | 148 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | trans | -152.9 | 153.3 | 141.3 | -127.2 | 169.8 | -175.3 | 175.5 | 0 | 114.5 | ||||
| 1051 | L | 19.3 | Very low | 23.5 | Very low | 151 Ų | 151 | 152.1 Ų | 152.1 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -141.7 | 110.2 | -163.2 | 173.5 | 78.5 | 0 | 0 | 0 | 110.5 | ||||
| 1052 | V | 24.5 | Very low | 23.4 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -152.1 | 125.2 | 165 | -176.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1053 | S | 21.6 | Very low | 23.5 | Very low | 89 Ų | 89 | 154 Ų | 154 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | cis | 89.4 | 73.4 | 17 | -153.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1054 | Q | 24.3 | Very low | 23.9 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -163.9 | 130.5 | 148.7 | -101.9 | 147.3 | 80.2 | 0 | 0 | 106.5 | ||||
| 1055 | N | 20.8 | Very low | 23.7 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | cis | 79.9 | 115.4 | 44.9 | -64.6 | -10.3 | 0 | 0 | 0 | 113.1 | ||||
| 1056 | G | 23.4 | Very low | 23.7 | Very low | 62 Ų | 62 | 149.9 Ų | 149.9 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 145.2 | 88.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1057 | T | 22.3 | Very low | 23.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | 53.3 | 92.1 | 98.9 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1058 | M | 21.7 | Very low | 23.8 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | 62.7 | 86.8 | 70.8 | -170.3 | -172.6 | 128.2 | 0 | 0 | 113 | |||||
| 1059 | E | 27.1 | Very low | 23.6 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -132.5 | 147 | 163.9 | -95.7 | -89.3 | 107.9 | 0 | 0 | 109.5 | ||||
| 1060 | K | 22.9 | Very low | 23.7 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -113.9 | 118.2 | -162.2 | 160.5 | -159 | 169.3 | -168 | 0 | 109.6 | ||||
| 1061 | R | 25 | Very low | 23.6 | Very low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -133.2 | 151.6 | 161.4 | -67.6 | -165.6 | -179.7 | -155.4 | -1.2 | 111.3 | ||||
| 1062 | S | 24 | Very low | 23.7 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -107.6 | -178.3 | -167.4 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1063 | D | 24 | Very low | 23.6 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 63.2 | 96.8 | 156 | -43.4 | -46.4 | 0 | 0 | 0 | 117.5 | ||||
| 1064 | I | 29.9 | Very low | 23.8 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | -159.5 | 145.6 | 127.6 | -103.1 | 152.8 | 0 | 0 | 0 | 109.3 | G1066 | I1064-G1066 PolarHBondContact O-N 2.84Š| |||
| 1065 | D | 24.9 | Very low | 23.8 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 128.2 | -176.9 | -166.2 | -3.1 | 0 | 0 | 0 | 111.4 | ||||
| 1066 | G | 23.9 | Very low | 24.1 | Very low | 64 Ų | 64 | 132.3 Ų | 132.3 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | -145 | 45.8 | -161.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1064 K1068 | I1064-G1066 PolarHBondContact O-N 2.84Å; G1066-K1068 VanDerWaalsContact C-N 3.34Å; G1066-K1068 PolarHBondContact O-N 3.32Å | ||
| 1067 | G | 22.8 | Very low | 24.2 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -55.3 | 76.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1068 | K | 24.3 | Very low | 24.3 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | -98.2 | 82.2 | 162.5 | -90.5 | 176.2 | 176.2 | 166.9 | 0 | 110.3 | G1066 S1070 | G1066-K1068 VanDerWaalsContact C-N 3.34Å; G1066-K1068 PolarHBondContact O-N 3.32Å; K1068-S1070 PolarHBondContact O-N 3.26Å; K1068-S1070 VanDerWaalsContact O-N 3.14Å | ||
| 1069 | A | 20.8 | Very low | 24.5 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -62 | 111.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1071 | A1069-P1071 WeakPolarHBondContact O-CD 3.34Š| ||
| 1070 | S | 24.8 | Very low | 24.5 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -94.3 | 101.6 | 162.2 | -69.1 | 0 | 0 | 0 | 0 | 107.8 | K1068 | K1068-S1070 PolarHBondContact O-N 3.26Å; K1068-S1070 VanDerWaalsContact O-N 3.14Å | ||
| 1071 | P | 23.7 | Very low | 24.6 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -88.4 | 139.1 | -163.7 | 33.3 | -34.7 | 0 | 0 | 0 | 113.8 | A1069 | A1069-P1071 WeakPolarHBondContact O-CD 3.34Š| ||
| 1072 | C | 20.6 | Very low | 24.9 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | 39.9 | 96.5 | 147.5 | -144 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1073 | F | 23.3 | Very low | 25.1 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | 46.1 | 90.3 | 83.7 | -71.5 | -80.7 | 0 | 0 | 0 | 115 | T1075 | F1073-T1075 PolarHBondContact O-N 3.27Š| |||
| 1074 | S | 24.8 | Very low | 25.3 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | -73.1 | 63.9 | 157.7 | -164.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1075 | T | 24.5 | Very low | 25.4 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 52% | 0.515 | 75% | 0.753 | S | S | . | * | trans | -86.9 | 107.8 | 161.1 | -62.3 | 0 | 0 | 0 | 0 | 107.2 | F1073 P1077 | F1073-T1075 PolarHBondContact O-N 3.27Å; T1075-P1077 VanDerWaalsContact O-CD 3.27Å; T1075-P1077 WeakPolarHBondContact O-CD 3.46Å; T1075-P1077 VanDerWaalsContact O-N 3.14Å | ||
| 1076 | T | 27.9 | Very low | 25.7 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55 | 119.1 | 162.4 | 45.4 | 0 | 0 | 0 | 0 | 107.8 | R1078 | T1076-R1078 PolarHBondContact O-N 3.44Š|
| 1077 | P | 25.5 | Very low | 26.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 135.2 | -175.8 | -28 | 36 | 0 | 0 | 0 | 111.1 | T1075 | T1075-P1077 VanDerWaalsContact O-CD 3.27Å; T1075-P1077 WeakPolarHBondContact O-CD 3.46Å; T1075-P1077 VanDerWaalsContact O-N 3.14Å |
| 1078 | R | 24.8 | Very low | 26.9 | Very low | 201 Ų | 201 | 133 Ų | 133 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 152.6 | 168.4 | -97.1 | -179.4 | -75.3 | -107.8 | -3.1 | 109.3 | T1076 Q1080 | T1076-R1078 PolarHBondContact O-N 3.44Å; R1078-Q1080 PolarHBondContact O-N 3.09Å |
| 1079 | T | 26.3 | Very low | 27.6 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 91% | 0.914 | 74% | 0.742 | S | S | * | * | trans | -63.4 | 78.4 | 174.6 | 48.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1080 | Q | 26.8 | Very low | 28.7 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -91 | 115.1 | 141.2 | -70.4 | -178 | -8.2 | 0 | 0 | 105.8 | R1078 P1082 | R1078-Q1080 PolarHBondContact O-N 3.09Å; Q1080-P1082 WeakPolarHBondContact O-CD 3.25Å | ||
| 1081 | S | 23.5 | Very low | 30.2 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | -71.8 | 109.2 | 171.8 | 47 | 0 | 0 | 0 | 0 | 108.8 | Q1083 | S1081-Q1083 VanDerWaalsContact C-N 3.35Å; S1081-Q1083 PolarHBondContact O-N 2.8Å | ||
| 1082 | P | 32.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -80.3 | 90.3 | 178.3 | -0.5 | 21.2 | 0 | 0 | 0 | 107.2 | Q1080 G1084 | Q1080-P1082 WeakPolarHBondContact O-CD 3.25Å; P1082-G1084 PolarHBondContact O-N 3.46Å | ||
| 1083 | Q | 27.6 | Very low | 35.2 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -59.4 | 132.8 | 162.4 | -70.7 | 178.5 | -31.2 | 0 | 0 | 107.8 | S1081 | S1081-Q1083 VanDerWaalsContact C-N 3.35Å; S1081-Q1083 PolarHBondContact O-N 2.8Å | ||
| 1084 | G | 27.3 | Very low | 38.4 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 77.9 | 60.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P1082 | P1082-G1084 PolarHBondContact O-N 3.46Š|
| 1085 | Q | 32.8 | Very low | 41.6 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | trans | -158.9 | 78.2 | 140.2 | -110.5 | 158.5 | 96.6 | 0 | 0 | 112 | Q1087 | Q1085-Q1087 HydrophobicContact CG-CG 4.2Å; Q1085-Q1087 PolarHBondContact O-N 3.5Å | ||
| 1086 | Q | 32.1 | Very low | 44.9 | Very low | 190 Ų | 190 | 120.2 Ų | 120.2 | 89% | 0.888 | 67% | 0.67 | S | S | * | * | trans | -72.4 | 64.8 | 157.6 | -72.2 | -175.7 | -6.9 | 0 | 0 | 109.5 | T1088 | Q1086-T1088 VanDerWaalsContact C-N 3.33Å; Q1086-T1088 PolarHBondContact O-N 3.18Å | ||
| 1087 | Q | 36.2 | Very low | 48.1 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 64% | 0.636 | S | S | * | * | trans | -72.1 | 99.2 | 160.4 | -70.2 | -169.8 | 9.8 | 0 | 0 | 106.9 | Q1085 M1089 | Q1085-Q1087 HydrophobicContact CG-CG 4.2Å; Q1085-Q1087 PolarHBondContact O-N 3.5Å; Q1087-M1089 HydrophobicContact CB-CG 4.28Å; Q1087-M1089 PolarHBondContact O-N 2.73Å | ||
| 1088 | T | 35.4 | Very low | 51.3 | Low | 123 Ų | 123 | 114.3 Ų | 114.3 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | trans | -71.8 | 55.4 | 170.6 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | Q1086 Q1090 | Q1086-T1088 VanDerWaalsContact C-N 3.33Å; Q1086-T1088 PolarHBondContact O-N 3.18Å; T1088-Q1090 PolarHBondContact O-N 3.28Å | ||
| 1089 | M | 38.6 | Very low | 54.5 | Low | 137 Ų | 137 | 105.1 Ų | 105.1 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | trans | -59.8 | 109.5 | 165.6 | -75.8 | -66.9 | 106.3 | 0 | 0 | 107 | Q1087 S1091 | Q1087-M1089 HydrophobicContact CB-CG 4.28Å; Q1087-M1089 PolarHBondContact O-N 2.73Å; M1089-S1091 PolarHBondContact O-N 2.79Å; M1089-S1091 PolarHBondContact O-OG 2.76Å | ||
| 1090 | Q | 44.9 | Very low | 57.5 | Low | 192 Ų | 192 | 104 Ų | 104 | 90% | 0.897 | 57% | 0.565 | S | S | * | * | trans | -58 | 96.5 | -173.2 | -68.4 | 171.1 | -14.4 | 0 | 0 | 109.5 | T1088 S1092 | T1088-Q1090 PolarHBondContact O-N 3.28Å; Q1090-S1092 PolarHBondContact O-N 3.3Å | ||
| 1091 | S | 55.8 | Low | 60.5 | Low | 109 Ų | 109 | 96.6 Ų | 96.6 | 76% | 0.762 | 53% | 0.53 | S | S | * | . | trans | -78.1 | 83.8 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 107 | M1089 G1093 | M1089-S1091 PolarHBondContact O-N 2.79Å; M1089-S1091 PolarHBondContact O-OG 2.76Å; S1091-G1093 PolarHBondContact O-N 3.42Å | ||
| 1092 | S | 66.6 | Low | 63.6 | Low | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | trans | -56.2 | 111.9 | 173 | 59.7 | 0 | 0 | 0 | 0 | 108.4 | Q1090 E1117 | Q1090-S1092 PolarHBondContact O-N 3.3Å; S1092-E1117 CarbonylContact C-O 3.54Å | ||
| 1093 | G | 82 | Confident | 66.2 | Low | 41 Ų | 41 | 92.7 Ų | 92.7 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | trans | 145.9 | 135.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1091 K1116 | S1091-G1093 PolarHBondContact O-N 3.42Å; G1093-K1116 WeakPolarHBondContact CA-O 3.1Å | ||
| 1094 | S | 90 | Very high | 69.1 | Low | 57 Ų | 57 | 86.8 Ų | 86.8 | 40% | 0.399 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 159.8 | 174.3 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | A1115 K1116 | S1094-A1115 WeakPolarHBondContact O-CA 3.35Å; S1094-A1115 WeakPolarHBondContact O-CB 3.45Å; S1094-K1116 PolarHBondContact N-O 3.45Å; S1094-K1116 PolarHBondContact O-N 3.45Å; S1094-K1116 VanDerWaalsContact O-N 3.09Å |
| 1095 | L | 93.4 | Very high | 72.1 | Confident | 26 Ų | 26 | 87.4 Ų | 87.4 | 14% | 0.136 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 93.8 | -174.8 | 177 | 66.8 | 0 | 0 | 0 | 110 | A1097 A1115 V1132 W1159 F1180 V1182 S1211 | L1095-A1097 PolarHBondContact O-N 3.33Å; L1095-A1115 HydrophobicContact CD1-CB 3.98Å; L1095-V1132 HydrophobicContact CD1-CG2 4.01Å; L1095-V1132 HydrophobicContact CD2-CG1 4.41Å; L1095-W1159 HydrophobicContact CD1-CH2 4.47Å; L1095-W1159 HydrophobicContact CD1-CZ3 3.82Å; L1095-F1180 HydrophobicContact CD2-CB 3.68Å; L1095-F1180 HydrophobicContact CD2-CD1 4.31Å; L1095-F1180 HydrophobicContact CD2-CG 4.18Å; L1095-V1182 HydrophobicContact CD1-CG2 4.33Å; L1095-V1182 HydrophobicContact CD2-CG2 3.91Å; L1095-S1211 VanDerWaalsContact C-OXT 3.28Å; L1095-S1211 PolarHBondContact N-OXT 3.27Å |
| 1096 | Q | 93.7 | Very high | 74.8 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 29% | 0.285 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.8 | -176.8 | -173.3 | 178.2 | -0.5 | 0 | 0 | 111.1 | V1113 G1114 E1209 | Q1096-V1113 HydrophobicContact CB-CB 4.18Å; Q1096-V1113 HydrophobicContact CG-CB 4.01Å; Q1096-V1113 HydrophobicContact CG-CG1 4.39Å; Q1096-V1113 HydrophobicContact CG-CG2 4.14Å; Q1096-V1113 WeakPolarHBondContact O-CB 3.32Å; Q1096-V1113 PolarHBondContact O-N 3.17Å; Q1096-G1114 PolarHBondContact N-O 3.19Å; Q1096-G1114 PolarHBondContact O-N 3.3Å; Q1096-E1209 PolarHBondContact NE2-OE1 3.39Å |
| 1097 | A | 93.4 | Very high | 77.7 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1095 T1111 F1180 V1210 | L1095-A1097 PolarHBondContact O-N 3.33Å; A1097-T1111 CarbonylContact C-O 3.49Å; A1097-T1111 VanDerWaalsContact CA-O 3.29Å; A1097-T1111 WeakPolarHBondContact CA-O 3.34Å; A1097-F1180 HydrophobicContact CB-CE1 3.88Å; A1097-F1180 HydrophobicContact CB-CZ 3.9Å; A1097-V1210 PolarHBondContact N-O 3.5Å; A1097-V1210 CarbonylContact O-C 3.47Å; A1097-V1210 WeakPolarHBondContact O-CA 3.4Å; A1097-V1210 PolarHBondContact O-N 3.47Å |
| 1098 | R | 93.4 | Very high | 80.3 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 42% | 0.415 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129 | 172.5 | -77 | 178.6 | -82.1 | 141.5 | -2.1 | 109.7 | T1111 E1209 | R1098-T1111 PolarHBondContact N-O 3.25Å; R1098-T1111 PolarHBondContact O-N 3.03Å; R1098-E1209 VanDerWaalsContact CD-OE1 3.27Å; R1098-E1209 WeakPolarHBondContact CD-OE1 3.4Å; R1098-E1209 HydrophobicContact CG-CB 3.88Å; R1098-E1209 VanDerWaalsContact CG-CD 3.47Å; R1098-E1209 HydrophobicContact CG-CG 3.55Å; R1098-E1209 VanDerWaalsContact CG-OE1 3.28Å; R1098-E1209 WeakPolarHBondContact CG-OE1 3.48Å; R1098-E1209 IonicContact NE-OE1 3.41Å; R1098-E1209 PolarHBondContact NE-OE1 3.36Å |
| 1099 | V | 91.6 | Very high | 83.1 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.3 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | L1108 L1178 L1201 | V1099-L1108 HydrophobicContact CG1-CD1 3.74Å; V1099-L1108 HydrophobicContact CG1-CG 4.47Å; V1099-L1178 HydrophobicContact CG1-CD1 4.23Å; V1099-L1178 HydrophobicContact CG2-CD1 3.8Å; V1099-L1201 HydrophobicContact CG1-CD2 4.25Å |
| 1100 | Y | 89 | Confident | 85.8 | Confident | 127 Ų | 127 | 57.2 Ų | 57.2 | 50% | 0.498 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138 | 179.5 | 175.3 | -104.7 | 0 | 0 | 0 | 109.6 | E1102 F1109 | Y1100-E1102 HydrophobicContact CE1-CB 3.99Å; Y1100-E1102 PolarHBondContact OH-OE2 3.34Å; Y1100-F1109 AromaticContact CD1-CD2 3.97Å; Y1100-F1109 HydrophobicContact CD1-CD2 3.97Å; Y1100-F1109 PolarHBondContact N-O 3.16Å; Y1100-F1109 PolarHBondContact O-N 3.2Å |
| 1101 | F | 90.5 | Very high | 88.2 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.5 | 176.1 | 176 | -121.1 | 0 | 0 | 0 | 110.7 | T1107 L1108 L1168 I1170 L1173 F1207 | F1101-T1107 WeakPolarHBondContact CD2-O 3.36Å; F1101-L1108 HydrophobicContact CB-CD1 3.98Å; F1101-L1108 HydrophobicContact CD2-CB 4.31Å; F1101-L1108 HydrophobicContact CD2-CD1 4.5Å; F1101-L1168 HydrophobicContact CE2-CB 4.16Å; F1101-L1168 WeakPolarHBondContact CE2-O 3.35Å; F1101-L1168 WeakPolarHBondContact CZ-O 3.35Å; F1101-I1170 HydrophobicContact CD1-CD1 4.08Å; F1101-I1170 HydrophobicContact CE1-CB 4.12Å; F1101-I1170 HydrophobicContact CE1-CD1 4.12Å; F1101-L1173 HydrophobicContact CB-CD1 4.05Å; F1101-L1173 HydrophobicContact CD1-CD1 3.57Å; F1101-L1173 HydrophobicContact CD2-CD1 3.46Å; F1101-L1173 VanDerWaalsContact CD2-CD1 3.46Å; F1101-L1173 HydrophobicContact CE1-CD1 3.77Å; F1101-L1173 HydrophobicContact CE2-CD1 3.66Å; F1101-L1173 HydrophobicContact CG-CD1 3.4Å; F1101-L1173 HydrophobicContact CZ-CD1 3.81Å; F1101-F1207 HydrophobicContact CB-CD1 4.19Å; F1101-F1207 HydrophobicContact CB-CE1 3.51Å; F1101-F1207 HydrophobicContact CB-CZ 4.22Å; F1101-F1207 HydrophobicContact CG-CE1 4.49Å |
| 1102 | E | 89.6 | Confident | 90.1 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 23% | 0.229 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 99.6 | 174.4 | -176.1 | 48.8 | -107.3 | 0 | 0 | 109.4 | Y1100 S1104 T1105 G1106 T1107 F1109 | Y1100-E1102 HydrophobicContact CE1-CB 3.99Å; Y1100-E1102 PolarHBondContact OH-OE2 3.34Å; E1102-S1104 VanDerWaalsContact C-N 3.28Å; E1102-S1104 VanDerWaalsContact CD-OG 3.23Å; E1102-S1104 WeakPolarHBondContact CG-OG 3.28Å; E1102-S1104 PolarHBondContact O-N 2.67Å; E1102-S1104 WeakPolarHBondContact OE1-CB 3.3Å; E1102-S1104 PolarHBondContact OE1-N 2.99Å; E1102-S1104 PolarHBondContact OE1-OG 3.48Å; E1102-T1105 WeakPolarHBondContact CB-OG1 3.5Å; E1102-T1105 HydrophobicContact CG-CG2 4.05Å; E1102-T1105 VanDerWaalsContact CG-OG1 3.25Å; E1102-T1105 WeakPolarHBondContact CG-OG1 3.25Å; E1102-T1105 PolarHBondContact O-N 3.4Å; E1102-T1105 PolarHBondContact O-OG1 3.42Å; E1102-G1106 PolarHBondContact O-N 3.34Å; E1102-T1107 PolarHBondContact N-O 3.49Å; E1102-T1107 PolarHBondContact O-N 2.9Å; E1102-F1109 HydrophobicContact CB-CE2 4Å |
| 1103 | S | 85.7 | Confident | 91.4 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 65% | 0.65 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -66.4 | -30.1 | -176 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | T1105 G1106 | S1103-T1105 PolarHBondContact O-N 3.44Å; S1103-G1106 PolarHBondContact O-N 2.91Å |
| 1104 | S | 88.8 | Confident | 92 | Very high | 60 Ų | 60 | 40 Ų | 40 | 42% | 0.42 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -66 | -25.1 | 177.5 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | E1102 | E1102-S1104 VanDerWaalsContact C-N 3.28Å; E1102-S1104 VanDerWaalsContact CD-OG 3.23Å; E1102-S1104 WeakPolarHBondContact CG-OG 3.28Å; E1102-S1104 PolarHBondContact O-N 2.67Å; E1102-S1104 WeakPolarHBondContact OE1-CB 3.3Å; E1102-S1104 PolarHBondContact OE1-N 2.99Å; E1102-S1104 PolarHBondContact OE1-OG 3.48Å |
| 1105 | T | 90.4 | Very high | 92.2 | Very high | 81 Ų | 81 | 37.5 Ų | 37.5 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -116.7 | 3.5 | -178.8 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | E1102 S1103 T1107 | E1102-T1105 WeakPolarHBondContact CB-OG1 3.5Å; E1102-T1105 HydrophobicContact CG-CG2 4.05Å; E1102-T1105 VanDerWaalsContact CG-OG1 3.25Å; E1102-T1105 WeakPolarHBondContact CG-OG1 3.25Å; E1102-T1105 PolarHBondContact O-N 3.4Å; E1102-T1105 PolarHBondContact O-OG1 3.42Å; S1103-T1105 PolarHBondContact O-N 3.44Å; T1105-T1107 PolarHBondContact O-N 3.06Å; T1105-T1107 VanDerWaalsContact O-N 3.17Å; T1105-T1107 PolarHBondContact O-OG1 2.94Å; T1105-T1107 WeakPolarHBondContact OG1-CB 3.41Å; T1105-T1107 PolarHBondContact OG1-OG1 2.96Å |
| 1106 | G | 89 | Confident | 92.1 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1102 S1103 K1166 D1167 L1168 | E1102-G1106 PolarHBondContact O-N 3.34Å; S1103-G1106 PolarHBondContact O-N 2.91Å; G1106-K1166 CarbonylContact O-C 3.45Å; G1106-D1167 PolarHBondContact O-N 3.3Å; G1106-L1168 CarbonylContact C-O 3.53Å; G1106-L1168 WeakPolarHBondContact CA-O 3.42Å; G1106-L1168 WeakPolarHBondContact O-CB 3.39Å; G1106-L1168 PolarHBondContact O-N 2.91Å |
| 1107 | T | 92.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.9 | -170.5 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | F1101 E1102 T1105 F1109 A1164 Y1165 K1166 | F1101-T1107 WeakPolarHBondContact CD2-O 3.36Å; E1102-T1107 PolarHBondContact N-O 3.49Å; E1102-T1107 PolarHBondContact O-N 2.9Å; T1105-T1107 PolarHBondContact O-N 3.06Å; T1105-T1107 VanDerWaalsContact O-N 3.17Å; T1105-T1107 PolarHBondContact O-OG1 2.94Å; T1105-T1107 WeakPolarHBondContact OG1-CB 3.41Å; T1105-T1107 PolarHBondContact OG1-OG1 2.96Å; T1107-F1109 HydrophobicContact CG2-CD2 4.08Å; T1107-F1109 HydrophobicContact CG2-CE1 4.09Å; T1107-F1109 HydrophobicContact CG2-CE2 3.56Å; T1107-F1109 HydrophobicContact CG2-CZ 3.57Å; T1107-A1164 HydrophobicContact CG2-CB 4.17Å; T1107-Y1165 CarbonylContact C-O 3.48Å; T1107-Y1165 WeakPolarHBondContact CA-O 3.4Å; T1107-K1166 HydrophobicContact CG2-CG 4.32Å |
| 1108 | L | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 121.4 | 173.2 | -176.2 | 76.8 | 0 | 0 | 0 | 109.8 | V1099 F1101 V1110 L1136 A1164 Y1165 L1168 L1173 L1178 L1201 | V1099-L1108 HydrophobicContact CG1-CD1 3.74Å; V1099-L1108 HydrophobicContact CG1-CG 4.47Å; F1101-L1108 HydrophobicContact CB-CD1 3.98Å; F1101-L1108 HydrophobicContact CD2-CB 4.31Å; F1101-L1108 HydrophobicContact CD2-CD1 4.5Å; L1108-V1110 HydrophobicContact CD2-CG2 4.22Å; L1108-V1110 HydrophobicContact CG-CG2 4.22Å; L1108-L1136 HydrophobicContact CD2-CD1 4.24Å; L1108-A1164 WeakPolarHBondContact O-CA 3.39Å; L1108-Y1165 HydrophobicContact CD2-CD2 4.39Å; L1108-Y1165 PolarHBondContact N-O 2.91Å; L1108-Y1165 PolarHBondContact O-N 3.18Å; L1108-L1168 HydrophobicContact CB-CD1 3.43Å; L1108-L1168 VanDerWaalsContact CB-CD1 3.43Å; L1108-L1168 HydrophobicContact CD2-CD1 4.37Å; L1108-L1173 HydrophobicContact CD1-CD2 4.19Å; L1108-L1173 HydrophobicContact CD2-CD2 4.02Å; L1108-L1173 HydrophobicContact CG-CD2 4.49Å; L1108-L1178 HydrophobicContact CD2-CD2 4.18Å; L1108-L1201 HydrophobicContact CD2-CD1 3.84Å |
| 1109 | F | 94.2 | Very high | 91 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.3 | 175.4 | -63.2 | -89.6 | 0 | 0 | 0 | 109.9 | Y1100 E1102 T1107 T1162 A1164 | Y1100-F1109 AromaticContact CD1-CD2 3.97Å; Y1100-F1109 HydrophobicContact CD1-CD2 3.97Å; Y1100-F1109 PolarHBondContact N-O 3.16Å; Y1100-F1109 PolarHBondContact O-N 3.2Å; E1102-F1109 HydrophobicContact CB-CE2 4Å; T1107-F1109 HydrophobicContact CG2-CD2 4.08Å; T1107-F1109 HydrophobicContact CG2-CE1 4.09Å; T1107-F1109 HydrophobicContact CG2-CE2 3.56Å; T1107-F1109 HydrophobicContact CG2-CZ 3.57Å; F1109-T1162 HydrophobicContact CB-CG2 3.97Å; F1109-T1162 HydrophobicContact CD1-CG2 4.03Å; F1109-A1164 HydrophobicContact CD1-CB 4.15Å; F1109-A1164 HydrophobicContact CE1-CB 4.19Å |
| 1110 | V | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 105 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L1108 T1162 V1163 Y1165 L1178 F1180 | L1108-V1110 HydrophobicContact CD2-CG2 4.22Å; L1108-V1110 HydrophobicContact CG-CG2 4.22Å; V1110-T1162 WeakPolarHBondContact O-CA 3.36Å; V1110-V1163 HydrophobicContact CB-CG2 3.94Å; V1110-V1163 PolarHBondContact N-O 2.91Å; V1110-V1163 PolarHBondContact O-N 3.3Å; V1110-Y1165 HydrophobicContact CG2-CD2 4.39Å; V1110-Y1165 HydrophobicContact CG2-CE2 4.3Å; V1110-L1178 HydrophobicContact CG1-CD1 4.09Å; V1110-L1178 HydrophobicContact CG2-CD1 3.55Å; V1110-L1178 HydrophobicContact CG2-CD2 4.05Å; V1110-L1178 HydrophobicContact CG2-CG 4.48Å; V1110-F1180 HydrophobicContact CG1-CE1 3.66Å; V1110-F1180 HydrophobicContact CG1-CZ 3.7Å |
| 1111 | T | 95.1 | Very high | 89.1 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.6 | -179.7 | -60 | 0 | 0 | 0 | 0 | 110 | A1097 R1098 V1113 T1162 | A1097-T1111 CarbonylContact C-O 3.49Å; A1097-T1111 VanDerWaalsContact CA-O 3.29Å; A1097-T1111 WeakPolarHBondContact CA-O 3.34Å; R1098-T1111 PolarHBondContact N-O 3.25Å; R1098-T1111 PolarHBondContact O-N 3.03Å; T1111-V1113 HydrophobicContact CG2-CG2 4.36Å; T1111-V1113 PolarHBondContact O-N 3.28Å; T1111-T1162 WeakPolarHBondContact OG1-CG2 3.18Å; T1111-T1162 PolarHBondContact OG1-OG1 3.03Å |
| 1112 | I | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 103.1 | 177.5 | -58 | 158.6 | 0 | 0 | 0 | 106.3 | V1132 V1134 T1148 W1159 N1160 Q1161 F1180 | I1112-V1132 HydrophobicContact CD1-CB 4.36Å; I1112-V1132 HydrophobicContact CD1-CG1 4.4Å; I1112-V1132 HydrophobicContact CG2-CB 4.2Å; I1112-V1132 HydrophobicContact CG2-CG2 3.83Å; I1112-V1134 HydrophobicContact CD1-CG2 3.59Å; I1112-V1134 HydrophobicContact CG1-CG2 4.32Å; I1112-T1148 HydrophobicContact CB-CG2 3.94Å; I1112-T1148 HydrophobicContact CD1-CG2 3.5Å; I1112-T1148 VanDerWaalsContact CD1-CG2 3.5Å; I1112-T1148 HydrophobicContact CG1-CG2 4.33Å; I1112-T1148 HydrophobicContact CG2-CG2 3.89Å; I1112-W1159 HydrophobicContact CG2-CD2 4.32Å; I1112-W1159 HydrophobicContact CG2-CE3 3.72Å; I1112-W1159 HydrophobicContact CG2-CZ3 4.29Å; I1112-N1160 WeakPolarHBondContact O-CA 3.41Å; I1112-N1160 PolarHBondContact O-N 2.99Å; I1112-N1160 VanDerWaalsContact O-N 3.17Å; I1112-Q1161 PolarHBondContact N-O 3.39Å; I1112-Q1161 PolarHBondContact O-N 2.79Å; I1112-F1180 HydrophobicContact CG1-CE1 4.31Å |
| 1113 | V | 94.4 | Very high | 86.3 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -64.5 | -173 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | Q1096 T1111 E1158 W1159 N1160 | Q1096-V1113 HydrophobicContact CB-CB 4.18Å; Q1096-V1113 HydrophobicContact CG-CB 4.01Å; Q1096-V1113 HydrophobicContact CG-CG1 4.39Å; Q1096-V1113 HydrophobicContact CG-CG2 4.14Å; Q1096-V1113 WeakPolarHBondContact O-CB 3.32Å; Q1096-V1113 PolarHBondContact O-N 3.17Å; T1111-V1113 HydrophobicContact CG2-CG2 4.36Å; T1111-V1113 PolarHBondContact O-N 3.28Å; V1113-E1158 CarbonylContact O-C 3.13Å; V1113-W1159 PolarHBondContact O-N 2.91Å; V1113-N1160 PolarHBondContact O-N 2.98Å |
| 1114 | G | 93.9 | Very high | 85.1 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1096 P1157 | Q1096-G1114 PolarHBondContact N-O 3.19Å; Q1096-G1114 PolarHBondContact O-N 3.3Å; G1114-P1157 CarbonylContact C-O 3.42Å; G1114-P1157 WeakPolarHBondContact CA-O 3.48Å |
| 1115 | A | 93.8 | Very high | 84.1 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1094 L1095 L1118 N1156 P1157 W1159 | S1094-A1115 WeakPolarHBondContact O-CA 3.35Å; S1094-A1115 WeakPolarHBondContact O-CB 3.45Å; L1095-A1115 HydrophobicContact CD1-CB 3.98Å; A1115-L1118 HydrophobicContact CB-CD1 4.05Å; A1115-L1118 HydrophobicContact CB-CD2 3.81Å; A1115-L1118 HydrophobicContact CB-CG 3.89Å; A1115-N1156 CarbonylContact O-C 3.57Å; A1115-N1156 WeakPolarHBondContact O-CA 3.37Å; A1115-P1157 HydrophobicContact CB-CG 3.88Å; A1115-P1157 PolarHBondContact N-O 2.93Å; A1115-P1157 VanDerWaalsContact O-CD 3.29Å; A1115-P1157 WeakPolarHBondContact O-CD 3.45Å; A1115-W1159 HydrophobicContact CB-CH2 4.03Å; A1115-W1159 HydrophobicContact CB-CZ3 3.83Å |
| 1116 | K | 91.5 | Very high | 83.4 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.9 | 175.4 | -64.1 | 176.8 | -176.8 | 172.4 | 0 | 109.1 | G1093 S1094 L1118 | G1093-K1116 WeakPolarHBondContact CA-O 3.1Å; S1094-K1116 PolarHBondContact N-O 3.45Å; S1094-K1116 PolarHBondContact O-N 3.45Å; S1094-K1116 VanDerWaalsContact O-N 3.09Å; K1116-L1118 PolarHBondContact O-N 2.95Å; K1116-L1118 VanDerWaalsContact O-N 3.1Å |
| 1117 | E | 87.7 | Confident | 83.1 | Confident | 128 Ų | 128 | 80.5 Ų | 80.5 | 60% | 0.598 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 55.8 | 27.5 | 170.2 | -58 | -175.6 | 174.7 | 0 | 0 | 115.4 | S1092 I1155 N1156 | S1092-E1117 CarbonylContact C-O 3.54Å; E1117-I1155 PolarHBondContact N-O 2.88Å; E1117-N1156 PolarHBondContact N-OD1 3.38Å |
| 1118 | L | 88.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 80.3 Ų | 80.3 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 140.6 | -177.5 | -70.1 | -179.5 | 0 | 0 | 0 | 111.9 | A1115 K1116 R1120 P1130 I1155 P1157 V1182 L1194 | A1115-L1118 HydrophobicContact CB-CD1 4.05Å; A1115-L1118 HydrophobicContact CB-CD2 3.81Å; A1115-L1118 HydrophobicContact CB-CG 3.89Å; K1116-L1118 PolarHBondContact O-N 2.95Å; K1116-L1118 VanDerWaalsContact O-N 3.1Å; L1118-R1120 PolarHBondContact O-N 2.9Å; L1118-P1130 HydrophobicContact CD1-CB 3.58Å; L1118-P1130 HydrophobicContact CD1-CG 3.98Å; L1118-I1155 WeakPolarHBondContact CB-O 3.47Å; L1118-I1155 WeakPolarHBondContact CG-O 3.49Å; L1118-I1155 PolarHBondContact N-O 3.44Å; L1118-P1157 HydrophobicContact CD1-CG 3.65Å; L1118-V1182 HydrophobicContact CD1-CG1 3.94Å; L1118-V1182 HydrophobicContact CD2-CG1 4.14Å; L1118-L1194 HydrophobicContact CD1-CD1 4.31Å |
| 1119 | P | 82.5 | Confident | 82.8 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 122.5 | -177.8 | -31.4 | 36.3 | 0 | 0 | 0 | 113 | ||
| 1120 | R | 71.7 | Confident | 82.8 | Confident | 182 Ų | 182 | 78.4 Ų | 78.4 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 136.8 | 167.7 | -69.4 | -178.4 | -179.3 | -170.9 | 1.3 | 108.1 | L1118 E1122 I1155 | L1118-R1120 PolarHBondContact O-N 2.9Å; R1120-E1122 VanDerWaalsContact C-N 3.29Å; R1120-E1122 PolarHBondContact O-N 3.16Å; R1120-I1155 HydrophobicContact CG-CG2 3.86Å |
| 1121 | L | 68.9 | Low | 82.8 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | trans | -73.1 | 85.4 | 178.3 | 179.4 | 60.7 | 0 | 0 | 0 | 109.3 | K1123 R1124 I1192 | L1121-K1123 PolarHBondContact O-N 3.41Å; L1121-R1124 HydrophobicContact CD2-CB 4.09Å; L1121-R1124 HydrophobicContact CD2-CG 3.76Å; L1121-R1124 HydrophobicContact CG-CB 4.19Å; L1121-R1124 HydrophobicContact CG-CG 4.14Å; L1121-R1124 CarbonylContact O-C 3.52Å; L1121-R1124 WeakPolarHBondContact O-CA 3.41Å; L1121-R1124 PolarHBondContact O-N 3.47Å; L1121-I1192 HydrophobicContact CD1-CD1 4.2Å; L1121-I1192 HydrophobicContact CD1-CG2 4.26Å; L1121-I1192 HydrophobicContact CD2-CD1 3.49Å; L1121-I1192 VanDerWaalsContact CD2-CD1 3.49Å | ||
| 1122 | E | 59.3 | Low | 82.9 | Confident | 175 Ų | 175 | 77.2 Ų | 77.2 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.3 | -42.7 | -170.3 | -171.3 | 55.8 | -148.9 | 0 | 0 | 114.5 | R1120 R1124 | R1120-E1122 VanDerWaalsContact C-N 3.29Å; R1120-E1122 PolarHBondContact O-N 3.16Å; E1122-R1124 PolarHBondContact O-N 3.48Å |
| 1123 | K | 61.3 | Low | 82.8 | Confident | 193 Ų | 193 | 78.5 Ų | 78.5 | 84% | 0.839 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 8 | 179.1 | -57.3 | -176.8 | -179.3 | -179.2 | 0 | 114.6 | L1121 | L1121-K1123 PolarHBondContact O-N 3.41Š|
| 1124 | R | 61.2 | Low | 82.8 | Confident | 134 Ų | 134 | 77.8 Ų | 77.8 | 51% | 0.506 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -150.7 | 127.1 | -177.8 | -63.4 | -64.2 | 167.4 | 111.3 | -11 | 111.3 | L1121 E1122 R1126 | L1121-R1124 HydrophobicContact CD2-CB 4.09Å; L1121-R1124 HydrophobicContact CD2-CG 3.76Å; L1121-R1124 HydrophobicContact CG-CB 4.19Å; L1121-R1124 HydrophobicContact CG-CG 4.14Å; L1121-R1124 CarbonylContact O-C 3.52Å; L1121-R1124 WeakPolarHBondContact O-CA 3.41Å; L1121-R1124 PolarHBondContact O-N 3.47Å; E1122-R1124 PolarHBondContact O-N 3.48Å; R1124-R1126 HydrophobicContact CB-CB 4.42Å; R1124-R1126 PolarHBondContact O-N 3Å |
| 1125 | R | 67.9 | Low | 82.9 | Confident | 263 Ų | 263 | 79.3 Ų | 79.3 | 99% | 0.992 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -68.9 | 34.9 | 164.9 | -68.8 | -171 | 174.8 | -169.9 | -0.4 | 113.7 | ||
| 1126 | R | 74.6 | Confident | 82.8 | Confident | 189 Ų | 189 | 79.3 Ų | 79.3 | 71% | 0.713 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -125.9 | 125.8 | -179.3 | -66.2 | -175 | -179.1 | 179.2 | 0.1 | 108.9 | R1124 | R1124-R1126 HydrophobicContact CB-CB 4.42Å; R1124-R1126 PolarHBondContact O-N 3Å |
| 1127 | P | 83.5 | Confident | 82.9 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | trans | -60.2 | 152.3 | 170.2 | -20.6 | 32.6 | 0 | 0 | 0 | 111.2 | K1153 | P1127-K1153 HydrophobicContact CB-CB 4.41Å; P1127-K1153 WeakPolarHBondContact CB-O 3.27Å | ||
| 1128 | P | 87.7 | Confident | 82.8 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | trans | -69.5 | 169.5 | 179.7 | 28.2 | -31.6 | 0 | 0 | 0 | 112.3 | P1130 K1153 T1154 I1155 L1194 | P1128-P1130 WeakPolarHBondContact O-CD 3.47Å; P1128-K1153 CarbonylContact O-C 3.42Å; P1128-K1153 WeakPolarHBondContact O-CA 3.27Å; P1128-K1153 PolarHBondContact O-N 2.87Å; P1128-K1153 VanDerWaalsContact O-N 3.14Å; P1128-T1154 WeakPolarHBondContact CG-O 3.38Å; P1128-T1154 PolarHBondContact O-N 3.07Å; P1128-I1155 HydrophobicContact CG-CG2 4.35Å; P1128-L1194 HydrophobicContact CB-CD1 3.9Å; P1128-L1194 HydrophobicContact CB-CD2 4.37Å; P1128-L1194 HydrophobicContact CG-CD1 4.17Å | ||
| 1129 | N | 91 | Very high | 82.3 | Confident | 33 Ų | 33 | 79 Ų | 79 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | trans | -110 | 67.2 | 173 | -54 | -54 | 0 | 0 | 0 | 110.5 | F1150 L1151 P1152 K1153 S1184 Y1185 | N1129-F1150 HydrophobicContact CB-CD2 4.12Å; N1129-L1151 CarbonylContact C-O 3.45Å; N1129-L1151 WeakPolarHBondContact CA-O 3.34Å; N1129-P1152 WeakPolarHBondContact OD1-CA 3.17Å; N1129-K1153 PolarHBondContact OD1-N 2.9Å; N1129-S1184 PolarHBondContact N-OG 2.95Å; N1129-Y1185 WeakPolarHBondContact CB-O 3.34Å; N1129-Y1185 PolarHBondContact ND2-O 2.82Å; N1129-Y1185 PolarHBondContact O-N 3.17Å | ||
| 1130 | P | 94.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 141.8 | -161.3 | 31.2 | -41.2 | 0 | 0 | 0 | 114.6 | L1118 P1128 F1150 L1151 T1154 P1157 W1159 V1182 W1183 L1194 | L1118-P1130 HydrophobicContact CD1-CB 3.58Å; L1118-P1130 HydrophobicContact CD1-CG 3.98Å; P1128-P1130 WeakPolarHBondContact O-CD 3.47Å; P1130-F1150 WeakPolarHBondContact O-CA 3.29Å; P1130-L1151 VanDerWaalsContact CD-O 3.3Å; P1130-L1151 WeakPolarHBondContact CD-O 3.41Å; P1130-L1151 PolarHBondContact O-N 2.71Å; P1130-T1154 VanDerWaalsContact CD-O 3.22Å; P1130-T1154 WeakPolarHBondContact CD-O 3.41Å; P1130-T1154 HydrophobicContact CG-CG2 3.83Å; P1130-T1154 WeakPolarHBondContact CG-O 3.2Å; P1130-P1157 HydrophobicContact CB-CB 4.49Å; P1130-P1157 HydrophobicContact CB-CG 4.09Å; P1130-P1157 HydrophobicContact CG-CB 3.68Å; P1130-P1157 HydrophobicContact CG-CG 3.61Å; P1130-W1159 HydrophobicContact CB-CH2 4.42Å; P1130-W1159 HydrophobicContact CB-CZ2 3.89Å; P1130-W1159 HydrophobicContact CG-CZ2 4.34Å; P1130-W1159 PolarHBondContact O-NE1 3.08Å; P1130-V1182 HydrophobicContact CB-CG1 4.36Å; P1130-W1183 CarbonylContact C-O 3.59Å; P1130-W1183 VanDerWaalsContact CA-O 3.27Å; P1130-W1183 WeakPolarHBondContact CA-O 3.48Å; P1130-L1194 HydrophobicContact CB-CD1 4.09Å |
| 1131 | F | 95.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 0% | 0.004 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 160.4 | 164.3 | 71.6 | -79.3 | 0 | 0 | 0 | 110.8 | K1133 R1147 F1150 V1182 W1183 Y1185 N1191 | F1131-K1133 HydrophobicContact CD2-CG 4.21Å; F1131-K1133 HydrophobicContact CE2-CD 4.22Å; F1131-K1133 VanDerWaalsContact CE2-CE 3.43Å; F1131-K1133 HydrophobicContact CE2-CG 3.73Å; F1131-R1147 HydrophobicContact CD2-CB 4.37Å; F1131-F1150 HydrophobicContact CB-CB 3.88Å; F1131-F1150 HydrophobicContact CD1-CB 4.24Å; F1131-F1150 HydrophobicContact CG-CB 4.42Å; F1131-V1182 WeakPolarHBondContact O-CA 3.41Å; F1131-W1183 HydrophobicContact CD1-CB 3.94Å; F1131-W1183 WeakPolarHBondContact CD1-O 3.28Å; F1131-W1183 HydrophobicContact CE1-CB 3.52Å; F1131-W1183 HydrophobicContact CE1-CG 4.5Å; F1131-W1183 HydrophobicContact CE2-CB 4.35Å; F1131-W1183 HydrophobicContact CZ-CB 3.76Å; F1131-W1183 HydrophobicContact CZ-CG 4.28Å; F1131-W1183 PolarHBondContact N-O 2.79Å; F1131-W1183 PolarHBondContact O-N 3.34Å; F1131-Y1185 HydrophobicContact CE1-CD2 4.41Å; F1131-N1191 HydrophobicContact CE1-CB 4.27Å; F1131-N1191 HydrophobicContact CZ-CB 4.39Å |
| 1132 | V | 95.7 | Very high | 83 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.5 | 178.8 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | L1095 I1112 V1134 R1147 T1148 W1159 F1180 T1181 V1182 | L1095-V1132 HydrophobicContact CD1-CG2 4.01Å; L1095-V1132 HydrophobicContact CD2-CG1 4.41Å; I1112-V1132 HydrophobicContact CD1-CB 4.36Å; I1112-V1132 HydrophobicContact CD1-CG1 4.4Å; I1112-V1132 HydrophobicContact CG2-CB 4.2Å; I1112-V1132 HydrophobicContact CG2-CG2 3.83Å; V1132-V1134 HydrophobicContact CG1-CG2 4.17Å; V1132-R1147 CarbonylContact O-C 3.58Å; V1132-R1147 WeakPolarHBondContact O-CA 3.35Å; V1132-R1147 WeakPolarHBondContact O-CB 3.27Å; V1132-T1148 HydrophobicContact CB-CG2 4.39Å; V1132-T1148 PolarHBondContact N-OG1 2.9Å; V1132-T1148 PolarHBondContact O-N 3.38Å; V1132-W1159 HydrophobicContact CG2-CD2 4.22Å; V1132-W1159 HydrophobicContact CG2-CE3 3.9Å; V1132-W1159 HydrophobicContact CG2-CH2 3.31Å; V1132-W1159 HydrophobicContact CG2-CZ2 3.67Å; V1132-W1159 HydrophobicContact CG2-CZ3 3.44Å; V1132-W1159 VanDerWaalsContact CG2-CZ3 3.44Å; V1132-F1180 HydrophobicContact CG1-CB 4.29Å; V1132-F1180 HydrophobicContact CG1-CD1 4.2Å; V1132-T1181 CarbonylContact C-O 3.54Å; V1132-T1181 WeakPolarHBondContact CA-O 3.41Å; V1132-V1182 HydrophobicContact CG2-CG2 4.36Å |
| 1133 | K | 94.5 | Very high | 83.9 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.3 | 163.9 | -51.7 | 171 | -167.1 | 159.3 | 0 | 108.5 | F1131 Y1135 R1146 R1147 F1180 T1181 | F1131-K1133 HydrophobicContact CD2-CG 4.21Å; F1131-K1133 HydrophobicContact CE2-CD 4.22Å; F1131-K1133 VanDerWaalsContact CE2-CE 3.43Å; F1131-K1133 HydrophobicContact CE2-CG 3.73Å; K1133-Y1135 HydrophobicContact CB-CE2 4.43Å; K1133-R1146 CarbonylContact C-O 3.59Å; K1133-R1146 WeakPolarHBondContact CA-O 3.12Å; K1133-R1147 HydrophobicContact CG-CB 4.27Å; K1133-F1180 CarbonylContact O-C 3.53Å; K1133-F1180 WeakPolarHBondContact O-CA 3.41Å; K1133-T1181 PolarHBondContact N-O 3.34Å; K1133-T1181 PolarHBondContact O-N 3.07Å; K1133-T1181 PolarHBondContact O-OG1 2.9Å |
| 1134 | V | 95.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.9 | 176.4 | -172 | 0 | 0 | 0 | 0 | 109.6 | I1112 V1132 K1145 R1146 Y1165 L1178 E1179 F1180 | I1112-V1134 HydrophobicContact CD1-CG2 3.59Å; I1112-V1134 HydrophobicContact CG1-CG2 4.32Å; V1132-V1134 HydrophobicContact CG1-CG2 4.17Å; V1134-K1145 WeakPolarHBondContact O-CA 3.23Å; V1134-R1146 PolarHBondContact N-O 3.01Å; V1134-R1146 PolarHBondContact O-N 2.92Å; V1134-Y1165 HydrophobicContact CG1-CE2 4.42Å; V1134-Y1165 PolarHBondContact O-OH 2.86Å; V1134-Y1165 VanDerWaalsContact O-OH 3.06Å; V1134-L1178 HydrophobicContact CG1-CB 4.44Å; V1134-L1178 HydrophobicContact CG1-CD2 4.05Å; V1134-E1179 CarbonylContact C-O 3.6Å; V1134-E1179 WeakPolarHBondContact CA-O 3.32Å; V1134-F1180 HydrophobicContact CG1-CD1 4.32Å; V1134-F1180 HydrophobicContact CG1-CE1 4.22Å; V1134-F1180 HydrophobicContact CG2-CD1 3.55Å; V1134-F1180 HydrophobicContact CG2-CE1 3.81Å; V1134-F1180 HydrophobicContact CG2-CG 4.41Å |
| 1135 | Y | 94.6 | Very high | 86.6 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.9 | 172.3 | -67 | -85 | 0 | 0 | 0 | 110.8 | K1133 L1137 N1144 K1145 E1179 | K1133-Y1135 HydrophobicContact CB-CE2 4.43Å; Y1135-L1137 PolarHBondContact O-N 3.24Å; Y1135-N1144 WeakPolarHBondContact CA-O 3.13Å; Y1135-K1145 HydrophobicContact CD1-CB 4Å; Y1135-K1145 HydrophobicContact CD1-CG 4.17Å; Y1135-K1145 HydrophobicContact CE1-CB 3.73Å; Y1135-K1145 HydrophobicContact CE1-CD 3.75Å; Y1135-K1145 HydrophobicContact CE1-CG 3.54Å; Y1135-K1145 WeakPolarHBondContact OH-CE 3.17Å; Y1135-E1179 PolarHBondContact N-O 3.02Å; Y1135-E1179 PolarHBondContact O-N 2.77Å |
| 1136 | L | 92.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 98.2 | 168.2 | -175.8 | 63.8 | 0 | 0 | 0 | 109.5 | L1108 N1144 Y1165 L1168 K1176 L1178 L1201 | L1108-L1136 HydrophobicContact CD2-CD1 4.24Å; L1136-N1144 HydrophobicContact CB-CB 4.23Å; L1136-N1144 PolarHBondContact N-O 2.92Å; L1136-N1144 VanDerWaalsContact N-O 3.07Å; L1136-N1144 PolarHBondContact O-ND2 2.98Å; L1136-Y1165 HydrophobicContact CB-CD1 4.12Å; L1136-Y1165 HydrophobicContact CB-CE1 3.92Å; L1136-Y1165 HydrophobicContact CB-CE2 4.38Å; L1136-Y1165 HydrophobicContact CB-CG 4.44Å; L1136-Y1165 HydrophobicContact CD2-CD1 4.13Å; L1136-Y1165 HydrophobicContact CD2-CG 4.01Å; L1136-L1168 HydrophobicContact CD2-CD1 4.12Å; L1136-L1168 HydrophobicContact CD2-CD2 3.82Å; L1136-K1176 HydrophobicContact CD1-CB 4.12Å; L1136-K1176 HydrophobicContact CD1-CD 3.99Å; L1136-K1176 HydrophobicContact CD2-CD 4.19Å; L1136-K1176 HydrophobicContact CG-CD 4.06Å; L1136-L1178 HydrophobicContact CD1-CD2 3.87Å; L1136-L1201 HydrophobicContact CD1-CD1 4.25Å |
| 1137 | L | 92.5 | Very high | 88.6 | Confident | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 158 | 178.8 | -61.7 | -171 | 0 | 0 | 0 | 111.4 | Y1135 R1140 K1176 A1177 E1179 V1198 | Y1135-L1137 PolarHBondContact O-N 3.24Å; L1137-R1140 HydrophobicContact CD2-CG 3.49Å; L1137-R1140 VanDerWaalsContact CD2-CG 3.49Å; L1137-K1176 WeakPolarHBondContact O-CB 3.41Å; L1137-K1176 VanDerWaalsContact O-CG 3.29Å; L1137-K1176 WeakPolarHBondContact O-CG 3.5Å; L1137-A1177 HydrophobicContact CB-CB 4.23Å; L1137-A1177 WeakPolarHBondContact CB-O 3.44Å; L1137-A1177 HydrophobicContact CD1-CB 4.36Å; L1137-A1177 PolarHBondContact N-O 3.24Å; L1137-E1179 HydrophobicContact CD1-CB 3.88Å; L1137-E1179 HydrophobicContact CD2-CB 4.32Å; L1137-E1179 HydrophobicContact CG-CB 4.03Å; L1137-V1198 HydrophobicContact CD1-CG1 4.4Å |
| 1138 | P | 85.8 | Confident | 89 | Confident | 97 Ų | 97 | 48.3 Ų | 48.3 | 63% | 0.63 | 22% | 0.219 | S | C | * | . | S | Bend | cis | -77.8 | -20.6 | 3 | 30.5 | -36 | 0 | 0 | 0 | 114.8 | R1140 | P1138-R1140 PolarHBondContact O-N 3.49Š|
| 1139 | K | 79 | Confident | 89.3 | Confident | 136 Ų | 136 | 55.5 Ų | 55.5 | 59% | 0.591 | 25% | 0.249 | S | C | * | . | trans | -73.9 | 89.2 | -173.9 | -64.6 | -178.7 | -177.8 | 179.2 | 0 | 111.6 | R1141 N1144 | K1139-R1141 HydrophobicContact CB-CG 4.42Å; K1139-R1141 PolarHBondContact O-N 3.4Å; K1139-N1144 WeakPolarHBondContact O-CB 3.35Å; K1139-N1144 PolarHBondContact O-ND2 2.83Å | ||
| 1140 | R | 80.2 | Confident | 89.3 | Confident | 145 Ų | 145 | 58.1 Ų | 58.1 | 55% | 0.547 | 26% | 0.259 | S | S | . | . | trans | -72.1 | 59 | 169.8 | -70.3 | -166.3 | 179.4 | 91.3 | -5.1 | 112.6 | L1137 P1138 E1179 | L1137-R1140 HydrophobicContact CD2-CG 3.49Å; L1137-R1140 VanDerWaalsContact CD2-CG 3.49Å; P1138-R1140 PolarHBondContact O-N 3.49Å; R1140-E1179 IonicContact CZ-OE2 2.85Å; R1140-E1179 IonicContact NE-OE2 3.2Å; R1140-E1179 PolarHBondContact NE-OE2 2.84Å; R1140-E1179 IonicContact NH2-OE1 2.78Å; R1140-E1179 PolarHBondContact NH2-OE1 3.16Å; R1140-E1179 IonicContact NH2-OE2 3.85Å; R1140-E1179 PolarHBondContact NH2-OE2 2.79Å | ||
| 1141 | R | 79.3 | Confident | 89.1 | Confident | 146 Ų | 146 | 60.6 Ų | 60.6 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -106.4 | 167.8 | 174.3 | -55.1 | 171.3 | 55.2 | 126.1 | -4.6 | 111 | K1139 E1143 N1144 K1145 | K1139-R1141 HydrophobicContact CB-CG 4.42Å; K1139-R1141 PolarHBondContact O-N 3.4Å; R1141-E1143 VanDerWaalsContact C-N 3.33Å; R1141-E1143 WeakPolarHBondContact CB-OE2 3.43Å; R1141-E1143 IonicContact CZ-OE1 3.87Å; R1141-E1143 IonicContact CZ-OE2 3.38Å; R1141-E1143 IonicContact NE-OE1 3.52Å; R1141-E1143 PolarHBondContact NE-OE1 2.91Å; R1141-E1143 IonicContact NE-OE2 2.69Å; R1141-E1143 PolarHBondContact NE-OE2 3.1Å; R1141-E1143 IonicContact NH2-OE1 3.76Å; R1141-E1143 PolarHBondContact NH2-OE1 2.81Å; R1141-E1143 IonicContact NH2-OE2 2.67Å; R1141-E1143 PolarHBondContact O-N 2.83Å; R1141-N1144 PolarHBondContact O-N 2.85Å; R1141-K1145 PolarHBondContact O-N 3.4Å |
| 1142 | V | 77.3 | Confident | 88.7 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -66.6 | -33.2 | -177.6 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | N1144 K1145 | V1142-N1144 PolarHBondContact O-N 3.4Å; V1142-K1145 WeakPolarHBondContact O-CB 3.34Å; V1142-K1145 PolarHBondContact O-N 2.85Å |
| 1143 | E | 79 | Confident | 88.3 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -63.3 | -27.7 | 176.5 | -47.7 | 91 | 153.4 | 0 | 0 | 112.2 | R1141 R1146 | R1141-E1143 VanDerWaalsContact C-N 3.33Å; R1141-E1143 WeakPolarHBondContact CB-OE2 3.43Å; R1141-E1143 IonicContact CZ-OE1 3.87Å; R1141-E1143 IonicContact CZ-OE2 3.38Å; R1141-E1143 IonicContact NE-OE1 3.52Å; R1141-E1143 PolarHBondContact NE-OE1 2.91Å; R1141-E1143 IonicContact NE-OE2 2.69Å; R1141-E1143 PolarHBondContact NE-OE2 3.1Å; R1141-E1143 IonicContact NH2-OE1 3.76Å; R1141-E1143 PolarHBondContact NH2-OE1 2.81Å; R1141-E1143 IonicContact NH2-OE2 2.67Å; R1141-E1143 PolarHBondContact O-N 2.83Å; E1143-R1146 PolarHBondContact O-NH1 2.94Å; E1143-R1146 PolarHBondContact O-NH2 2.92Å |
| 1144 | N | 87.4 | Confident | 88.1 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -95.3 | 2.7 | 177.7 | -77 | 39.5 | 0 | 0 | 0 | 113.3 | Y1135 L1136 K1139 R1141 V1142 Y1165 | Y1135-N1144 WeakPolarHBondContact CA-O 3.13Å; L1136-N1144 HydrophobicContact CB-CB 4.23Å; L1136-N1144 PolarHBondContact N-O 2.92Å; L1136-N1144 VanDerWaalsContact N-O 3.07Å; L1136-N1144 PolarHBondContact O-ND2 2.98Å; K1139-N1144 WeakPolarHBondContact O-CB 3.35Å; K1139-N1144 PolarHBondContact O-ND2 2.83Å; R1141-N1144 PolarHBondContact O-N 2.85Å; V1142-N1144 PolarHBondContact O-N 3.4Å; N1144-Y1165 WeakPolarHBondContact O-CE1 3.46Å; N1144-Y1165 PolarHBondContact O-OH 3.46Å |
| 1145 | K | 90.6 | Very high | 87.8 | Confident | 43 Ų | 43 | 74.5 Ų | 74.5 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.7 | 178.9 | -173.7 | 177.4 | -178.8 | 172.8 | 0 | 110.5 | E1008 V1134 Y1135 R1141 V1142 | E1008-K1145 IonicContact OE1-NZ 2.64Å; E1008-K1145 PolarHBondContact OE1-NZ 3.44Å; E1008-K1145 IonicContact OE2-NZ 2.93Å; E1008-K1145 PolarHBondContact OE2-NZ 3.48Å; V1134-K1145 WeakPolarHBondContact O-CA 3.23Å; Y1135-K1145 HydrophobicContact CD1-CB 4Å; Y1135-K1145 HydrophobicContact CD1-CG 4.17Å; Y1135-K1145 HydrophobicContact CE1-CB 3.73Å; Y1135-K1145 HydrophobicContact CE1-CD 3.75Å; Y1135-K1145 HydrophobicContact CE1-CG 3.54Å; Y1135-K1145 WeakPolarHBondContact OH-CE 3.17Å; R1141-K1145 PolarHBondContact O-N 3.4Å; V1142-K1145 WeakPolarHBondContact O-CB 3.34Å; V1142-K1145 PolarHBondContact O-N 2.85Å |
| 1146 | R | 92.2 | Very high | 87.8 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 29% | 0.291 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.8 | 170.5 | -60 | -69.5 | -179.6 | -86 | -5.2 | 109 | K1133 V1134 E1143 V1163 A1164 Y1165 | K1133-R1146 CarbonylContact C-O 3.59Å; K1133-R1146 WeakPolarHBondContact CA-O 3.12Å; V1134-R1146 PolarHBondContact N-O 3.01Å; V1134-R1146 PolarHBondContact O-N 2.92Å; E1143-R1146 PolarHBondContact O-NH1 2.94Å; E1143-R1146 PolarHBondContact O-NH2 2.92Å; R1146-V1163 HydrophobicContact CB-CB 3.8Å; R1146-V1163 HydrophobicContact CB-CG1 3.97Å; R1146-V1163 HydrophobicContact CB-CG2 3.8Å; R1146-V1163 HydrophobicContact CG-CB 3.87Å; R1146-V1163 HydrophobicContact CG-CG2 3.98Å; R1146-A1164 PolarHBondContact NE-O 3.42Å; R1146-A1164 PolarHBondContact NH2-O 3.06Å; R1146-Y1165 HydrophobicContact CG-CD1 4.44Å; R1146-Y1165 HydrophobicContact CG-CE1 3.61Å; R1146-Y1165 HydrophobicContact CG-CE2 4.19Å; R1146-Y1165 VanDerWaalsContact CG-CZ 3.49Å; R1146-Y1165 WeakPolarHBondContact CG-OH 3.28Å |
| 1147 | R | 92.2 | Very high | 87.8 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 18% | 0.181 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 160.6 | 168 | 65 | 164.1 | 170.3 | 175.5 | -6.8 | 113.1 | E1006 F1131 V1132 K1133 | E1006-R1147 IonicContact OE1-CZ 3.54Å; E1006-R1147 IonicContact OE1-NE 2.63Å; E1006-R1147 PolarHBondContact OE1-NE 2.98Å; E1006-R1147 IonicContact OE1-NH2 2.89Å; E1006-R1147 PolarHBondContact OE1-NH2 3.31Å; E1006-R1147 IonicContact OE2-CZ 2.6Å; E1006-R1147 IonicContact OE2-NE 2.76Å; E1006-R1147 PolarHBondContact OE2-NE 3.38Å; E1006-R1147 IonicContact OE2-NH2 2.69Å; E1006-R1147 PolarHBondContact OE2-NH2 3.35Å; F1131-R1147 HydrophobicContact CD2-CB 4.37Å; V1132-R1147 CarbonylContact O-C 3.58Å; V1132-R1147 WeakPolarHBondContact O-CA 3.35Å; V1132-R1147 WeakPolarHBondContact O-CB 3.27Å; K1133-R1147 HydrophobicContact CG-CB 4.27Å |
| 1148 | T | 93.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 82.1 Ų | 82.1 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 160.8 | 163.7 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | I1112 V1132 W1159 Q1161 | I1112-T1148 HydrophobicContact CB-CG2 3.94Å; I1112-T1148 HydrophobicContact CD1-CG2 3.5Å; I1112-T1148 VanDerWaalsContact CD1-CG2 3.5Å; I1112-T1148 HydrophobicContact CG1-CG2 4.33Å; I1112-T1148 HydrophobicContact CG2-CG2 3.89Å; V1132-T1148 HydrophobicContact CB-CG2 4.39Å; V1132-T1148 PolarHBondContact N-OG1 2.9Å; V1132-T1148 PolarHBondContact O-N 3.38Å; T1148-W1159 HydrophobicContact CG2-CB 4.02Å; T1148-W1159 HydrophobicContact CG2-CD2 4.44Å; T1148-W1159 HydrophobicContact CG2-CG 3.96Å; T1148-W1159 PolarHBondContact OG1-NE1 3.46Å; T1148-Q1161 HydrophobicContact CG2-CB 3.91Å |
| 1149 | K | 92.2 | Very high | 88.4 | Confident | 155 Ų | 155 | 78 Ų | 78 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 146.5 | 160 | -62.9 | 178.3 | -178.5 | 177.7 | 0 | 109.6 | W1159 | K1149-W1159 PolarHBondContact O-NE1 2.92Š|
| 1150 | F | 91.1 | Very high | 89.1 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 148.9 | 173.5 | 76.5 | -91.8 | 0 | 0 | 0 | 111.8 | N1129 P1130 F1131 Y1185 | N1129-F1150 HydrophobicContact CB-CD2 4.12Å; P1130-F1150 WeakPolarHBondContact O-CA 3.29Å; F1131-F1150 HydrophobicContact CB-CB 3.88Å; F1131-F1150 HydrophobicContact CD1-CB 4.24Å; F1131-F1150 HydrophobicContact CG-CB 4.42Å; F1150-Y1185 HydrophobicContact CB-CG 4.35Å; F1150-Y1185 AromaticContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD2 4.37Å; F1150-Y1185 HydrophobicContact CD1-CE1 4.11Å; F1150-Y1185 AromaticContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD2-CD1 4.05Å; F1150-Y1185 HydrophobicContact CD2-CG 4.43Å; F1150-Y1185 AromaticContact CE1-CD1 3.47Å; F1150-Y1185 HydrophobicContact CE1-CD1 3.47Å; F1150-Y1185 VanDerWaalsContact CE1-CD1 3.47Å; F1150-Y1185 AromaticContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CG 4.11Å; F1150-Y1185 AromaticContact CE2-CD1 3.97Å; F1150-Y1185 HydrophobicContact CE2-CD1 3.97Å; F1150-Y1185 AromaticContact CG-CD1 3.88Å; F1150-Y1185 HydrophobicContact CG-CD1 3.88Å; F1150-Y1185 AromaticContact CG-CG 3.91Å; F1150-Y1185 HydrophobicContact CG-CG 3.91Å; F1150-Y1185 AromaticContact CZ-CD1 3.69Å; F1150-Y1185 HydrophobicContact CZ-CD1 3.69Å; F1150-Y1185 AromaticContact CZ-CE1 3.92Å; F1150-Y1185 HydrophobicContact CZ-CE1 3.92Å |
| 1151 | L | 89.8 | Confident | 89.8 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | trans | -107.7 | 134.2 | 169.9 | -63.9 | 176 | 0 | 0 | 0 | 109 | N1129 P1130 T1154 P1157 E1158 W1159 | N1129-L1151 CarbonylContact C-O 3.45Å; N1129-L1151 WeakPolarHBondContact CA-O 3.34Å; P1130-L1151 VanDerWaalsContact CD-O 3.3Å; P1130-L1151 WeakPolarHBondContact CD-O 3.41Å; P1130-L1151 PolarHBondContact O-N 2.71Å; L1151-T1154 HydrophobicContact CB-CG2 3.92Å; L1151-P1157 HydrophobicContact CD1-CB 3.72Å; L1151-E1158 VanDerWaalsContact CD1-O 3.3Å; L1151-E1158 WeakPolarHBondContact CD1-O 3.42Å; L1151-W1159 HydrophobicContact CD1-CG 4.34Å | ||
| 1152 | P | 88.1 | Confident | 90.5 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -77.7 | 139.8 | -176 | 30.6 | -34.4 | 0 | 0 | 0 | 112.1 | N1129 T1154 | N1129-P1152 WeakPolarHBondContact OD1-CA 3.17Å; P1152-T1154 PolarHBondContact O-N 3.03Å |
| 1153 | K | 86.4 | Confident | 91.2 | Very high | 159 Ų | 159 | 66 Ų | 66 | 69% | 0.691 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 49.5 | 46.2 | 166.6 | -53.6 | 177 | -175 | 171.8 | 0 | 115.7 | P1127 P1128 N1129 | P1127-K1153 HydrophobicContact CB-CB 4.41Å; P1127-K1153 WeakPolarHBondContact CB-O 3.27Å; P1128-K1153 CarbonylContact O-C 3.42Å; P1128-K1153 WeakPolarHBondContact O-CA 3.27Å; P1128-K1153 PolarHBondContact O-N 2.87Å; P1128-K1153 VanDerWaalsContact O-N 3.14Å; N1129-K1153 PolarHBondContact OD1-N 2.9Å |
| 1154 | T | 90.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | trans | -131.3 | 143.8 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 113.2 | P1128 P1130 L1151 P1152 N1156 P1157 | P1128-T1154 WeakPolarHBondContact CG-O 3.38Å; P1128-T1154 PolarHBondContact O-N 3.07Å; P1130-T1154 VanDerWaalsContact CD-O 3.22Å; P1130-T1154 WeakPolarHBondContact CD-O 3.41Å; P1130-T1154 HydrophobicContact CG-CG2 3.83Å; P1130-T1154 WeakPolarHBondContact CG-O 3.2Å; L1151-T1154 HydrophobicContact CB-CG2 3.92Å; P1152-T1154 PolarHBondContact O-N 3.03Å; T1154-N1156 VanDerWaalsContact OG1-C 3.26Å; T1154-N1156 PolarHBondContact OG1-N 3.48Å; T1154-N1156 PolarHBondContact OG1-O 3.19Å; T1154-N1156 VanDerWaalsContact OG1-O 3.12Å; T1154-P1157 HydrophobicContact CG2-CB 3.88Å | ||
| 1155 | I | 90.5 | Very high | 92.1 | Very high | 37 Ų | 37 | 61.6 Ų | 61.6 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -95.6 | -14.6 | 166.9 | 59 | 173.6 | 0 | 0 | 0 | 112.8 | E1117 L1118 R1120 P1128 P1157 | E1117-I1155 PolarHBondContact N-O 2.88Å; L1118-I1155 WeakPolarHBondContact CB-O 3.47Å; L1118-I1155 WeakPolarHBondContact CG-O 3.49Å; L1118-I1155 PolarHBondContact N-O 3.44Å; R1120-I1155 HydrophobicContact CG-CG2 3.86Å; P1128-I1155 HydrophobicContact CG-CG2 4.35Å; I1155-P1157 WeakPolarHBondContact O-CD 3.37Å |
| 1156 | N | 92.8 | Very high | 92.1 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -121.2 | 71.8 | 178.7 | -64.4 | -20 | 0 | 0 | 0 | 108.5 | A1115 E1117 T1154 | A1115-N1156 CarbonylContact O-C 3.57Å; A1115-N1156 WeakPolarHBondContact O-CA 3.37Å; E1117-N1156 PolarHBondContact N-OD1 3.38Å; T1154-N1156 VanDerWaalsContact OG1-C 3.26Å; T1154-N1156 PolarHBondContact OG1-N 3.48Å; T1154-N1156 PolarHBondContact OG1-O 3.19Å; T1154-N1156 VanDerWaalsContact OG1-O 3.12Å |
| 1157 | P | 93 | Very high | 91.9 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.019 | 35% | 0.349 | C | S | . | . | trans | -73.8 | 138.8 | 177.4 | 28.7 | -35.2 | 0 | 0 | 0 | 112.6 | G1114 A1115 L1118 P1130 L1151 T1154 I1155 W1159 | G1114-P1157 CarbonylContact C-O 3.42Å; G1114-P1157 WeakPolarHBondContact CA-O 3.48Å; A1115-P1157 HydrophobicContact CB-CG 3.88Å; A1115-P1157 PolarHBondContact N-O 2.93Å; A1115-P1157 VanDerWaalsContact O-CD 3.29Å; A1115-P1157 WeakPolarHBondContact O-CD 3.45Å; L1118-P1157 HydrophobicContact CD1-CG 3.65Å; P1130-P1157 HydrophobicContact CB-CB 4.49Å; P1130-P1157 HydrophobicContact CB-CG 4.09Å; P1130-P1157 HydrophobicContact CG-CB 3.68Å; P1130-P1157 HydrophobicContact CG-CG 3.61Å; L1151-P1157 HydrophobicContact CD1-CB 3.72Å; T1154-P1157 HydrophobicContact CG2-CB 3.88Å; I1155-P1157 WeakPolarHBondContact O-CD 3.37Å; P1157-W1159 HydrophobicContact CB-CD2 4.15Å; P1157-W1159 HydrophobicContact CB-CE3 4.3Å; P1157-W1159 HydrophobicContact CB-CH2 3.82Å; P1157-W1159 HydrophobicContact CB-CZ2 3.63Å; P1157-W1159 HydrophobicContact CB-CZ3 4.14Å; P1157-W1159 HydrophobicContact CG-CE3 4.33Å; P1157-W1159 HydrophobicContact CG-CH2 3.26Å; P1157-W1159 HydrophobicContact CG-CZ2 3.54Å; P1157-W1159 HydrophobicContact CG-CZ3 3.7Å | ||
| 1158 | E | 95.3 | Very high | 91.7 | Very high | 132 Ų | 132 | 67.6 Ų | 67.6 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 105.2 | 169.2 | -170.2 | -177.7 | 165.9 | 0 | 0 | 108.2 | V1113 L1151 N1160 | V1113-E1158 CarbonylContact O-C 3.13Å; L1151-E1158 VanDerWaalsContact CD1-O 3.3Å; L1151-E1158 WeakPolarHBondContact CD1-O 3.42Å; E1158-N1160 PolarHBondContact OE1-ND2 2.99Å |
| 1159 | W | 95.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 70.5 Ų | 70.5 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -33.8 | -174.2 | -67.8 | -75.5 | 0 | 0 | 0 | 113.3 | L1095 I1112 V1113 A1115 P1130 V1132 T1148 K1149 L1151 P1157 Q1161 V1182 | L1095-W1159 HydrophobicContact CD1-CH2 4.47Å; L1095-W1159 HydrophobicContact CD1-CZ3 3.82Å; I1112-W1159 HydrophobicContact CG2-CD2 4.32Å; I1112-W1159 HydrophobicContact CG2-CE3 3.72Å; I1112-W1159 HydrophobicContact CG2-CZ3 4.29Å; V1113-W1159 PolarHBondContact O-N 2.91Å; A1115-W1159 HydrophobicContact CB-CH2 4.03Å; A1115-W1159 HydrophobicContact CB-CZ3 3.83Å; P1130-W1159 HydrophobicContact CB-CH2 4.42Å; P1130-W1159 HydrophobicContact CB-CZ2 3.89Å; P1130-W1159 HydrophobicContact CG-CZ2 4.34Å; P1130-W1159 PolarHBondContact O-NE1 3.08Å; V1132-W1159 HydrophobicContact CG2-CD2 4.22Å; V1132-W1159 HydrophobicContact CG2-CE3 3.9Å; V1132-W1159 HydrophobicContact CG2-CH2 3.31Å; V1132-W1159 HydrophobicContact CG2-CZ2 3.67Å; V1132-W1159 HydrophobicContact CG2-CZ3 3.44Å; V1132-W1159 VanDerWaalsContact CG2-CZ3 3.44Å; T1148-W1159 HydrophobicContact CG2-CB 4.02Å; T1148-W1159 HydrophobicContact CG2-CD2 4.44Å; T1148-W1159 HydrophobicContact CG2-CG 3.96Å; T1148-W1159 PolarHBondContact OG1-NE1 3.46Å; K1149-W1159 PolarHBondContact O-NE1 2.92Å; L1151-W1159 HydrophobicContact CD1-CG 4.34Å; P1157-W1159 HydrophobicContact CB-CD2 4.15Å; P1157-W1159 HydrophobicContact CB-CE3 4.3Å; P1157-W1159 HydrophobicContact CB-CH2 3.82Å; P1157-W1159 HydrophobicContact CB-CZ2 3.63Å; P1157-W1159 HydrophobicContact CB-CZ3 4.14Å; P1157-W1159 HydrophobicContact CG-CE3 4.33Å; P1157-W1159 HydrophobicContact CG-CH2 3.26Å; P1157-W1159 HydrophobicContact CG-CZ2 3.54Å; P1157-W1159 HydrophobicContact CG-CZ3 3.7Å; W1159-Q1161 HydrophobicContact CB-CB 4.36Å; W1159-Q1161 WeakPolarHBondContact O-CG 3.49Å; W1159-Q1161 PolarHBondContact O-N 3.4Å; W1159-Q1161 VanDerWaalsContact O-N 3.12Å; W1159-Q1161 PolarHBondContact O-NE2 3.41Å; W1159-V1182 HydrophobicContact CH2-CG1 4.2Å |
| 1160 | N | 94.2 | Very high | 90.8 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 39.7 | 46.8 | -173.1 | -69.8 | -34.7 | 0 | 0 | 0 | 113.7 | I1112 V1113 E1158 | I1112-N1160 WeakPolarHBondContact O-CA 3.41Å; I1112-N1160 PolarHBondContact O-N 2.99Å; I1112-N1160 VanDerWaalsContact O-N 3.17Å; V1113-N1160 PolarHBondContact O-N 2.98Å; E1158-N1160 PolarHBondContact OE1-ND2 2.99Å |
| 1161 | Q | 94.5 | Very high | 90.4 | Very high | 49 Ų | 49 | 70.8 Ų | 70.8 | 23% | 0.229 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.6 | -172 | -92.3 | 157.2 | 80.4 | 0 | 0 | 111.6 | I1112 T1148 W1159 | I1112-Q1161 PolarHBondContact N-O 3.39Å; I1112-Q1161 PolarHBondContact O-N 2.79Å; T1148-Q1161 HydrophobicContact CG2-CB 3.91Å; W1159-Q1161 HydrophobicContact CB-CB 4.36Å; W1159-Q1161 WeakPolarHBondContact O-CG 3.49Å; W1159-Q1161 PolarHBondContact O-N 3.4Å; W1159-Q1161 VanDerWaalsContact O-N 3.12Å; W1159-Q1161 PolarHBondContact O-NE2 3.41Å |
| 1162 | T | 93.9 | Very high | 90.2 | Very high | 79 Ų | 79 | 72.5 Ų | 72.5 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.2 | 174.1 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | F1109 V1110 T1111 | F1109-T1162 HydrophobicContact CB-CG2 3.97Å; F1109-T1162 HydrophobicContact CD1-CG2 4.03Å; V1110-T1162 WeakPolarHBondContact O-CA 3.36Å; T1111-T1162 WeakPolarHBondContact OG1-CG2 3.18Å; T1111-T1162 PolarHBondContact OG1-OG1 3.03Å |
| 1163 | V | 93.5 | Very high | 90 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.9 | 172.4 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | V1110 R1146 Y1165 | V1110-V1163 HydrophobicContact CB-CG2 3.94Å; V1110-V1163 PolarHBondContact N-O 2.91Å; V1110-V1163 PolarHBondContact O-N 3.3Å; R1146-V1163 HydrophobicContact CB-CB 3.8Å; R1146-V1163 HydrophobicContact CB-CG1 3.97Å; R1146-V1163 HydrophobicContact CB-CG2 3.8Å; R1146-V1163 HydrophobicContact CG-CB 3.87Å; R1146-V1163 HydrophobicContact CG-CG2 3.98Å; V1163-Y1165 HydrophobicContact CG2-CE2 4.4Å |
| 1164 | A | 92.8 | Very high | 89.8 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1107 L1108 F1109 R1146 | T1107-A1164 HydrophobicContact CG2-CB 4.17Å; L1108-A1164 WeakPolarHBondContact O-CA 3.39Å; F1109-A1164 HydrophobicContact CD1-CB 4.15Å; F1109-A1164 HydrophobicContact CE1-CB 4.19Å; R1146-A1164 PolarHBondContact NE-O 3.42Å; R1146-A1164 PolarHBondContact NH2-O 3.06Å |
| 1165 | Y | 92.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121.9 | 170.3 | -62.2 | -77.8 | 0 | 0 | 0 | 109 | T1107 L1108 V1110 V1134 L1136 N1144 R1146 V1163 L1168 L1178 | T1107-Y1165 CarbonylContact C-O 3.48Å; T1107-Y1165 WeakPolarHBondContact CA-O 3.4Å; L1108-Y1165 HydrophobicContact CD2-CD2 4.39Å; L1108-Y1165 PolarHBondContact N-O 2.91Å; L1108-Y1165 PolarHBondContact O-N 3.18Å; V1110-Y1165 HydrophobicContact CG2-CD2 4.39Å; V1110-Y1165 HydrophobicContact CG2-CE2 4.3Å; V1134-Y1165 HydrophobicContact CG1-CE2 4.42Å; V1134-Y1165 PolarHBondContact O-OH 2.86Å; V1134-Y1165 VanDerWaalsContact O-OH 3.06Å; L1136-Y1165 HydrophobicContact CB-CD1 4.12Å; L1136-Y1165 HydrophobicContact CB-CE1 3.92Å; L1136-Y1165 HydrophobicContact CB-CE2 4.38Å; L1136-Y1165 HydrophobicContact CB-CG 4.44Å; L1136-Y1165 HydrophobicContact CD2-CD1 4.13Å; L1136-Y1165 HydrophobicContact CD2-CG 4.01Å; N1144-Y1165 WeakPolarHBondContact O-CE1 3.46Å; N1144-Y1165 PolarHBondContact O-OH 3.46Å; R1146-Y1165 HydrophobicContact CG-CD1 4.44Å; R1146-Y1165 HydrophobicContact CG-CE1 3.61Å; R1146-Y1165 HydrophobicContact CG-CE2 4.19Å; R1146-Y1165 VanDerWaalsContact CG-CZ 3.49Å; R1146-Y1165 WeakPolarHBondContact CG-OH 3.28Å; V1163-Y1165 HydrophobicContact CG2-CE2 4.4Å; Y1165-L1168 WeakPolarHBondContact O-CD1 3.35Å; Y1165-L1178 HydrophobicContact CE2-CD2 4.13Å |
| 1166 | K | 90.7 | Very high | 89.5 | Confident | 143 Ų | 143 | 65.4 Ų | 65.4 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | trans | -96.6 | 173.9 | 179.9 | -61.7 | -172.4 | 174.8 | -172.6 | 0 | 111.1 | G1106 T1107 L1168 | G1106-K1166 CarbonylContact O-C 3.45Å; T1107-K1166 HydrophobicContact CG2-CG 4.32Å; K1166-L1168 WeakPolarHBondContact O-CG 3.36Å | ||
| 1167 | D | 87.3 | Confident | 89.4 | Confident | 142 Ų | 142 | 61.3 Ų | 61.3 | 76% | 0.759 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 64.6 | 46.9 | 171.3 | -42.4 | -43.7 | 0 | 0 | 0 | 112.9 | G1106 | G1106-D1167 PolarHBondContact O-N 3.3Š|
| 1168 | L | 86.9 | Confident | 89.5 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | trans | -123.1 | 122.3 | -177.4 | -53.1 | 173.3 | 0 | 0 | 0 | 110.9 | F1101 G1106 L1108 L1136 Y1165 K1166 L1173 K1176 | F1101-L1168 HydrophobicContact CE2-CB 4.16Å; F1101-L1168 WeakPolarHBondContact CE2-O 3.35Å; F1101-L1168 WeakPolarHBondContact CZ-O 3.35Å; G1106-L1168 CarbonylContact C-O 3.53Å; G1106-L1168 WeakPolarHBondContact CA-O 3.42Å; G1106-L1168 WeakPolarHBondContact O-CB 3.39Å; G1106-L1168 PolarHBondContact O-N 2.91Å; L1108-L1168 HydrophobicContact CB-CD1 3.43Å; L1108-L1168 VanDerWaalsContact CB-CD1 3.43Å; L1108-L1168 HydrophobicContact CD2-CD1 4.37Å; L1136-L1168 HydrophobicContact CD2-CD1 4.12Å; L1136-L1168 HydrophobicContact CD2-CD2 3.82Å; Y1165-L1168 WeakPolarHBondContact O-CD1 3.35Å; K1166-L1168 WeakPolarHBondContact O-CG 3.36Å; L1168-L1173 HydrophobicContact CB-CD2 4.49Å; L1168-L1173 HydrophobicContact CB-CG 4.48Å; L1168-L1173 HydrophobicContact CD1-CD2 4.09Å; L1168-K1176 HydrophobicContact CD2-CD 4.5Å | ||
| 1169 | T | 86 | Confident | 89.4 | Confident | 63 Ų | 63 | 55.5 Ų | 55.5 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | trans | -85.4 | 161.2 | 162.7 | 70.3 | 0 | 0 | 0 | 0 | 110.6 | E1171 M1172 L1173 | T1169-E1171 VanDerWaalsContact C-N 3.31Å; T1169-E1171 PolarHBondContact O-N 3.32Å; T1169-M1172 HydrophobicContact CG2-SD 4.15Å; T1169-M1172 CarbonylContact O-C 3.59Å; T1169-M1172 WeakPolarHBondContact O-CB 3.25Å; T1169-M1172 PolarHBondContact O-N 3.49Å; T1169-M1172 VanDerWaalsContact O-N 3.15Å; T1169-M1172 WeakPolarHBondContact OG1-CB 3.32Å; T1169-M1172 VanDerWaalsContact OG1-CG 3.23Å; T1169-M1172 WeakPolarHBondContact OG1-CG 3.38Å; T1169-M1172 PolarHBondContact OG1-N 3.04Å; T1169-M1172 VanDerWaalsContact OG1-N 3.1Å; T1169-L1173 PolarHBondContact O-N 3.45Å; T1169-L1173 VanDerWaalsContact O-N 3.08Å | ||
| 1170 | I | 81.7 | Confident | 89.4 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -61.7 | -38.9 | 175.6 | -171.7 | 61.3 | 0 | 0 | 0 | 112.1 | F1101 M1172 L1173 S1174 F1207 | F1101-I1170 HydrophobicContact CD1-CD1 4.08Å; F1101-I1170 HydrophobicContact CE1-CB 4.12Å; F1101-I1170 HydrophobicContact CE1-CD1 4.12Å; I1170-M1172 VanDerWaalsContact C-N 3.33Å; I1170-M1172 PolarHBondContact O-N 3.43Å; I1170-L1173 HydrophobicContact CD1-CD1 4.29Å; I1170-L1173 WeakPolarHBondContact O-CB 3.41Å; I1170-L1173 PolarHBondContact O-N 3.43Å; I1170-S1174 PolarHBondContact O-N 3.12Å; I1170-F1207 HydrophobicContact CD1-CZ 4.02Å |
| 1171 | E | 82.7 | Confident | 89.4 | Confident | 152 Ų | 152 | 51.6 Ų | 51.6 | 71% | 0.71 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.4 | -45.5 | 171.9 | -58.5 | 170.6 | 172.9 | 0 | 0 | 111.2 | T1169 L1173 S1174 | T1169-E1171 VanDerWaalsContact C-N 3.31Å; T1169-E1171 PolarHBondContact O-N 3.32Å; E1171-L1173 PolarHBondContact O-N 3Å; E1171-S1174 PolarHBondContact O-N 3.43Å; E1171-S1174 PolarHBondContact O-OG 2.83Å |
| 1172 | M | 84.5 | Confident | 89.4 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.3 | -10.4 | 177.2 | -74.4 | 171.3 | 57.9 | 0 | 0 | 113.4 | T1169 I1170 K1176 | T1169-M1172 HydrophobicContact CG2-SD 4.15Å; T1169-M1172 CarbonylContact O-C 3.59Å; T1169-M1172 WeakPolarHBondContact O-CB 3.25Å; T1169-M1172 PolarHBondContact O-N 3.49Å; T1169-M1172 VanDerWaalsContact O-N 3.15Å; T1169-M1172 WeakPolarHBondContact OG1-CB 3.32Å; T1169-M1172 VanDerWaalsContact OG1-CG 3.23Å; T1169-M1172 WeakPolarHBondContact OG1-CG 3.38Å; T1169-M1172 PolarHBondContact OG1-N 3.04Å; T1169-M1172 VanDerWaalsContact OG1-N 3.1Å; I1170-M1172 VanDerWaalsContact C-N 3.33Å; I1170-M1172 PolarHBondContact O-N 3.43Å; M1172-K1176 WeakPolarHBondContact O-CD 3.4Å; M1172-K1176 WeakPolarHBondContact O-CE 3.17Å; M1172-K1176 WeakPolarHBondContact O-CG 3.34Å; M1172-K1176 PolarHBondContact O-NZ 3.16Å |
| 1173 | L | 84.4 | Confident | 89.4 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -86.4 | -38.6 | 174.5 | -78.4 | 172.3 | 0 | 0 | 0 | 112.3 | F1101 L1108 L1168 T1169 I1170 E1171 A1175 K1176 L1201 | F1101-L1173 HydrophobicContact CB-CD1 4.05Å; F1101-L1173 HydrophobicContact CD1-CD1 3.57Å; F1101-L1173 HydrophobicContact CD2-CD1 3.46Å; F1101-L1173 VanDerWaalsContact CD2-CD1 3.46Å; F1101-L1173 HydrophobicContact CE1-CD1 3.77Å; F1101-L1173 HydrophobicContact CE2-CD1 3.66Å; F1101-L1173 HydrophobicContact CG-CD1 3.4Å; F1101-L1173 HydrophobicContact CZ-CD1 3.81Å; L1108-L1173 HydrophobicContact CD1-CD2 4.19Å; L1108-L1173 HydrophobicContact CD2-CD2 4.02Å; L1108-L1173 HydrophobicContact CG-CD2 4.49Å; L1168-L1173 HydrophobicContact CB-CD2 4.49Å; L1168-L1173 HydrophobicContact CB-CG 4.48Å; L1168-L1173 HydrophobicContact CD1-CD2 4.09Å; T1169-L1173 PolarHBondContact O-N 3.45Å; T1169-L1173 VanDerWaalsContact O-N 3.08Å; I1170-L1173 HydrophobicContact CD1-CD1 4.29Å; I1170-L1173 WeakPolarHBondContact O-CB 3.41Å; I1170-L1173 PolarHBondContact O-N 3.43Å; E1171-L1173 PolarHBondContact O-N 3Å; L1173-A1175 PolarHBondContact O-N 2.68Å; L1173-A1175 VanDerWaalsContact O-N 3.15Å; L1173-K1176 WeakPolarHBondContact O-CB 3.42Å; L1173-K1176 PolarHBondContact O-N 3.04Å; L1173-L1201 HydrophobicContact CD2-CD1 3.86Å; L1173-L1201 WeakPolarHBondContact O-CB 3.36Å |
| 1174 | S | 82.5 | Confident | 89.3 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 43% | 0.434 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.3 | -35.2 | -177.6 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | I1170 E1171 K1176 Q1200 S1202 | I1170-S1174 PolarHBondContact O-N 3.12Å; E1171-S1174 PolarHBondContact O-N 3.43Å; E1171-S1174 PolarHBondContact O-OG 2.83Å; S1174-K1176 VanDerWaalsContact C-N 3.29Å; S1174-K1176 PolarHBondContact O-N 3.33Å; S1174-Q1200 PolarHBondContact O-NE2 3.13Å; S1174-S1202 WeakPolarHBondContact O-CB 3.45Å |
| 1175 | A | 85.9 | Confident | 89.1 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 10 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1173 | L1173-A1175 PolarHBondContact O-N 2.68Å; L1173-A1175 VanDerWaalsContact O-N 3.15Å |
| 1176 | K | 88.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 13% | 0.13 | 27% | 0.265 | C | S | . | . | trans | -121.5 | 161.5 | -174.2 | -67.7 | -178.6 | -174.7 | 149.6 | 0 | 113.6 | L1136 L1137 L1168 M1172 L1173 S1174 Q1200 L1201 | L1136-K1176 HydrophobicContact CD1-CB 4.12Å; L1136-K1176 HydrophobicContact CD1-CD 3.99Å; L1136-K1176 HydrophobicContact CD2-CD 4.19Å; L1136-K1176 HydrophobicContact CG-CD 4.06Å; L1137-K1176 WeakPolarHBondContact O-CB 3.41Å; L1137-K1176 VanDerWaalsContact O-CG 3.29Å; L1137-K1176 WeakPolarHBondContact O-CG 3.5Å; L1168-K1176 HydrophobicContact CD2-CD 4.5Å; M1172-K1176 WeakPolarHBondContact O-CD 3.4Å; M1172-K1176 WeakPolarHBondContact O-CE 3.17Å; M1172-K1176 WeakPolarHBondContact O-CG 3.34Å; M1172-K1176 PolarHBondContact O-NZ 3.16Å; L1173-K1176 WeakPolarHBondContact O-CB 3.42Å; L1173-K1176 PolarHBondContact O-N 3.04Å; S1174-K1176 VanDerWaalsContact C-N 3.29Å; S1174-K1176 PolarHBondContact O-N 3.33Å; K1176-Q1200 PolarHBondContact O-NE2 2.76Å; K1176-Q1200 VanDerWaalsContact O-NE2 3.15Å; K1176-L1201 HydrophobicContact CB-CD1 4.34Å; K1176-L1201 WeakPolarHBondContact O-CB 3.29Å; K1176-L1201 PolarHBondContact O-N 3.24Å | ||
| 1177 | A | 90.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 153.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1137 V1198 V1199 | L1137-A1177 HydrophobicContact CB-CB 4.23Å; L1137-A1177 WeakPolarHBondContact CB-O 3.44Å; L1137-A1177 HydrophobicContact CD1-CB 4.36Å; L1137-A1177 PolarHBondContact N-O 3.24Å; A1177-V1198 HydrophobicContact CB-CG1 4.12Å; A1177-V1199 CarbonylContact C-O 3.52Å; A1177-V1199 WeakPolarHBondContact CA-O 3.37Å; A1177-V1199 WeakPolarHBondContact CB-O 3.41Å |
| 1178 | L | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.5 | 169.2 | -64.4 | 172.2 | 0 | 0 | 0 | 109 | V1099 L1108 V1110 V1134 L1136 Y1165 F1180 V1198 V1199 L1201 | V1099-L1178 HydrophobicContact CG1-CD1 4.23Å; V1099-L1178 HydrophobicContact CG2-CD1 3.8Å; L1108-L1178 HydrophobicContact CD2-CD2 4.18Å; V1110-L1178 HydrophobicContact CG1-CD1 4.09Å; V1110-L1178 HydrophobicContact CG2-CD1 3.55Å; V1110-L1178 HydrophobicContact CG2-CD2 4.05Å; V1110-L1178 HydrophobicContact CG2-CG 4.48Å; V1134-L1178 HydrophobicContact CG1-CB 4.44Å; V1134-L1178 HydrophobicContact CG1-CD2 4.05Å; L1136-L1178 HydrophobicContact CD1-CD2 3.87Å; Y1165-L1178 HydrophobicContact CE2-CD2 4.13Å; L1178-F1180 HydrophobicContact CB-CD2 4.19Å; L1178-F1180 HydrophobicContact CB-CE2 3.52Å; L1178-F1180 HydrophobicContact CB-CZ 4.01Å; L1178-F1180 HydrophobicContact CD1-CE2 4.2Å; L1178-F1180 HydrophobicContact CD1-CZ 3.97Å; L1178-V1198 WeakPolarHBondContact O-CA 3.41Å; L1178-V1199 PolarHBondContact N-O 3.45Å; L1178-V1199 PolarHBondContact O-N 2.97Å; L1178-L1201 HydrophobicContact CD1-CD2 4.06Å; L1178-L1201 HydrophobicContact CG-CD1 4.21Å; L1178-L1201 HydrophobicContact CG-CD2 4.2Å; L1178-L1201 HydrophobicContact CG-CG 4.5Å |
| 1179 | E | 94.8 | Very high | 86.5 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 110.9 | 169.2 | 174.5 | 168.2 | -107.9 | 0 | 0 | 109.7 | V1134 Y1135 L1137 R1140 T1181 R1196 V1198 | V1134-E1179 CarbonylContact C-O 3.6Å; V1134-E1179 WeakPolarHBondContact CA-O 3.32Å; Y1135-E1179 PolarHBondContact N-O 3.02Å; Y1135-E1179 PolarHBondContact O-N 2.77Å; L1137-E1179 HydrophobicContact CD1-CB 3.88Å; L1137-E1179 HydrophobicContact CD2-CB 4.32Å; L1137-E1179 HydrophobicContact CG-CB 4.03Å; R1140-E1179 IonicContact CZ-OE2 2.85Å; R1140-E1179 IonicContact NE-OE2 3.2Å; R1140-E1179 PolarHBondContact NE-OE2 2.84Å; R1140-E1179 IonicContact NH2-OE1 2.78Å; R1140-E1179 PolarHBondContact NH2-OE1 3.16Å; R1140-E1179 IonicContact NH2-OE2 3.85Å; R1140-E1179 PolarHBondContact NH2-OE2 2.79Å; E1179-T1181 HydrophobicContact CG-CG2 4.27Å; E1179-R1196 HydrophobicContact CG-CG 4.31Å; E1179-R1196 WeakPolarHBondContact OE1-CD 3.36Å; E1179-R1196 IonicContact OE1-CZ 3.39Å; E1179-R1196 IonicContact OE1-NH1 2.93Å; E1179-R1196 PolarHBondContact OE1-NH1 2.76Å; E1179-V1198 HydrophobicContact CB-CG2 4.22Å; E1179-V1198 HydrophobicContact CG-CG2 4.11Å |
| 1180 | F | 95 | Very high | 85.9 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.8 | 174.2 | -59.3 | -98.7 | 0 | 0 | 0 | 109.1 | L1095 A1097 V1110 I1112 V1132 K1133 V1134 L1178 R1196 A1197 V1199 | L1095-F1180 HydrophobicContact CD2-CB 3.68Å; L1095-F1180 HydrophobicContact CD2-CD1 4.31Å; L1095-F1180 HydrophobicContact CD2-CG 4.18Å; A1097-F1180 HydrophobicContact CB-CE1 3.88Å; A1097-F1180 HydrophobicContact CB-CZ 3.9Å; V1110-F1180 HydrophobicContact CG1-CE1 3.66Å; V1110-F1180 HydrophobicContact CG1-CZ 3.7Å; I1112-F1180 HydrophobicContact CG1-CE1 4.31Å; V1132-F1180 HydrophobicContact CG1-CB 4.29Å; V1132-F1180 HydrophobicContact CG1-CD1 4.2Å; K1133-F1180 CarbonylContact O-C 3.53Å; K1133-F1180 WeakPolarHBondContact O-CA 3.41Å; V1134-F1180 HydrophobicContact CG1-CD1 4.32Å; V1134-F1180 HydrophobicContact CG1-CE1 4.22Å; V1134-F1180 HydrophobicContact CG2-CD1 3.55Å; V1134-F1180 HydrophobicContact CG2-CE1 3.81Å; V1134-F1180 HydrophobicContact CG2-CG 4.41Å; L1178-F1180 HydrophobicContact CB-CD2 4.19Å; L1178-F1180 HydrophobicContact CB-CE2 3.52Å; L1178-F1180 HydrophobicContact CB-CZ 4.01Å; L1178-F1180 HydrophobicContact CD1-CE2 4.2Å; L1178-F1180 HydrophobicContact CD1-CZ 3.97Å; F1180-R1196 CarbonylContact O-C 3.55Å; F1180-R1196 VanDerWaalsContact O-CA 3.26Å; F1180-R1196 WeakPolarHBondContact O-CA 3.44Å; F1180-R1196 WeakPolarHBondContact O-CG 3.38Å; F1180-A1197 HydrophobicContact CB-CB 4.46Å; F1180-A1197 PolarHBondContact N-O 3.18Å; F1180-A1197 PolarHBondContact O-N 2.77Å; F1180-A1197 VanDerWaalsContact O-O 3.12Å; F1180-V1199 HydrophobicContact CD2-CG2 4.24Å; F1180-V1199 HydrophobicContact CE2-CB 4.32Å; F1180-V1199 HydrophobicContact CE2-CG2 3.85Å |
| 1181 | T | 94.1 | Very high | 86.1 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.7 | 172 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | V1132 K1133 E1179 W1183 F1193 G1195 R1196 | V1132-T1181 CarbonylContact C-O 3.54Å; V1132-T1181 WeakPolarHBondContact CA-O 3.41Å; K1133-T1181 PolarHBondContact N-O 3.34Å; K1133-T1181 PolarHBondContact O-N 3.07Å; K1133-T1181 PolarHBondContact O-OG1 2.9Å; E1179-T1181 HydrophobicContact CG-CG2 4.27Å; T1181-W1183 VanDerWaalsContact CB-NE1 3.29Å; T1181-W1183 VanDerWaalsContact O-CD1 3.25Å; T1181-W1183 PolarHBondContact OG1-NE1 2.85Å; T1181-F1193 HydrophobicContact CG2-CE2 4.29Å; T1181-G1195 CarbonylContact C-O 3.55Å; T1181-G1195 WeakPolarHBondContact CA-O 3.34Å; T1181-R1196 HydrophobicContact CG2-CB 4.04Å; T1181-R1196 HydrophobicContact CG2-CG 3.73Å |
| 1182 | V | 94.8 | Very high | 86.3 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135 | -179.9 | -165.5 | 0 | 0 | 0 | 0 | 109.2 | L1095 L1118 P1130 F1131 V1132 W1159 L1194 G1195 | L1095-V1182 HydrophobicContact CD1-CG2 4.33Å; L1095-V1182 HydrophobicContact CD2-CG2 3.91Å; L1118-V1182 HydrophobicContact CD1-CG1 3.94Å; L1118-V1182 HydrophobicContact CD2-CG1 4.14Å; P1130-V1182 HydrophobicContact CB-CG1 4.36Å; F1131-V1182 WeakPolarHBondContact O-CA 3.41Å; V1132-V1182 HydrophobicContact CG2-CG2 4.36Å; W1159-V1182 HydrophobicContact CH2-CG1 4.2Å; V1182-L1194 HydrophobicContact CB-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CD1 4.24Å; V1182-L1194 PolarHBondContact O-N 3.33Å; V1182-G1195 PolarHBondContact N-O 3.11Å; V1182-G1195 PolarHBondContact O-N 3.34Å |
| 1183 | W | 93.8 | Very high | 86.6 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 16% | 0.163 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.3 | -173.9 | -62.1 | 82.8 | 0 | 0 | 0 | 110.8 | P1130 F1131 T1181 N1191 I1192 F1193 | P1130-W1183 CarbonylContact C-O 3.59Å; P1130-W1183 VanDerWaalsContact CA-O 3.27Å; P1130-W1183 WeakPolarHBondContact CA-O 3.48Å; F1131-W1183 HydrophobicContact CD1-CB 3.94Å; F1131-W1183 WeakPolarHBondContact CD1-O 3.28Å; F1131-W1183 HydrophobicContact CE1-CB 3.52Å; F1131-W1183 HydrophobicContact CE1-CG 4.5Å; F1131-W1183 HydrophobicContact CE2-CB 4.35Å; F1131-W1183 HydrophobicContact CZ-CB 3.76Å; F1131-W1183 HydrophobicContact CZ-CG 4.28Å; F1131-W1183 PolarHBondContact N-O 2.79Å; F1131-W1183 PolarHBondContact O-N 3.34Å; T1181-W1183 VanDerWaalsContact CB-NE1 3.29Å; T1181-W1183 VanDerWaalsContact O-CD1 3.25Å; T1181-W1183 PolarHBondContact OG1-NE1 2.85Å; W1183-N1191 HydrophobicContact CB-CB 4.47Å; W1183-N1191 HydrophobicContact CE3-CB 4.07Å; W1183-N1191 VanDerWaalsContact CE3-O 3.28Å; W1183-N1191 WeakPolarHBondContact CZ3-O 3.23Å; W1183-I1192 CarbonylContact C-O 3.56Å; W1183-I1192 VanDerWaalsContact CA-O 3.27Å; W1183-I1192 WeakPolarHBondContact CA-O 3.41Å; W1183-F1193 HydrophobicContact CD2-CD2 4.39Å; W1183-F1193 HydrophobicContact CE3-CB 4Å; W1183-F1193 HydrophobicContact CH2-CB 4.15Å; W1183-F1193 HydrophobicContact CH2-CD2 4.19Å; W1183-F1193 AromaticContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ3-CB 3.8Å |
| 1184 | S | 90.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.1 | 163.7 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | N1129 N1191 I1192 | N1129-S1184 PolarHBondContact N-OG 2.95Å; S1184-N1191 CarbonylContact O-C 3.59Å; S1184-N1191 WeakPolarHBondContact O-CA 3.41Å; S1184-N1191 WeakPolarHBondContact O-CB 3.48Å; S1184-I1192 PolarHBondContact N-O 3.5Å; S1184-I1192 PolarHBondContact O-N 3.18Å |
| 1185 | Y | 89.9 | Confident | 87.2 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | trans | -71.5 | 128.6 | 172.3 | -178.4 | -108.3 | 0 | 0 | 0 | 111.5 | N1129 F1131 F1150 R1187 N1191 | N1129-Y1185 WeakPolarHBondContact CB-O 3.34Å; N1129-Y1185 PolarHBondContact ND2-O 2.82Å; N1129-Y1185 PolarHBondContact O-N 3.17Å; F1131-Y1185 HydrophobicContact CE1-CD2 4.41Å; F1150-Y1185 HydrophobicContact CB-CG 4.35Å; F1150-Y1185 AromaticContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD1 3.57Å; F1150-Y1185 HydrophobicContact CD1-CD2 4.37Å; F1150-Y1185 HydrophobicContact CD1-CE1 4.11Å; F1150-Y1185 AromaticContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD1-CG 3.72Å; F1150-Y1185 HydrophobicContact CD2-CD1 4.05Å; F1150-Y1185 HydrophobicContact CD2-CG 4.43Å; F1150-Y1185 AromaticContact CE1-CD1 3.47Å; F1150-Y1185 HydrophobicContact CE1-CD1 3.47Å; F1150-Y1185 VanDerWaalsContact CE1-CD1 3.47Å; F1150-Y1185 AromaticContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CE1 3.63Å; F1150-Y1185 HydrophobicContact CE1-CG 4.11Å; F1150-Y1185 AromaticContact CE2-CD1 3.97Å; F1150-Y1185 HydrophobicContact CE2-CD1 3.97Å; F1150-Y1185 AromaticContact CG-CD1 3.88Å; F1150-Y1185 HydrophobicContact CG-CD1 3.88Å; F1150-Y1185 AromaticContact CG-CG 3.91Å; F1150-Y1185 HydrophobicContact CG-CG 3.91Å; F1150-Y1185 AromaticContact CZ-CD1 3.69Å; F1150-Y1185 HydrophobicContact CZ-CD1 3.69Å; F1150-Y1185 AromaticContact CZ-CE1 3.92Å; F1150-Y1185 HydrophobicContact CZ-CE1 3.92Å; Y1185-R1187 HydrophobicContact CE1-CB 4.41Å; Y1185-N1191 WeakPolarHBondContact CA-OD1 3.22Å; Y1185-N1191 VanDerWaalsContact CD2-OD1 3.25Å; Y1185-N1191 WeakPolarHBondContact CD2-OD1 3.3Å | ||
| 1186 | E | 80.7 | Confident | 87.6 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 27% | 0.271 | 26% | 0.26 | S | S | . | . | trans | -123.2 | 129.9 | 172.9 | -72.7 | -66.1 | 164.6 | 0 | 0 | 109 | R1189 N1191 I1192 | E1186-R1189 HydrophobicContact CB-CB 4.02Å; E1186-N1191 PolarHBondContact N-OD1 3.31Å; E1186-I1192 HydrophobicContact CG-CD1 4.21Å; E1186-I1192 HydrophobicContact CG-CG1 4.31Å | ||
| 1187 | R | 77.7 | Confident | 87.7 | Confident | 157 Ų | 157 | 59.8 Ų | 59.8 | 59% | 0.592 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -74.3 | -27.4 | -172.7 | 180 | -177.9 | -76.3 | -120.5 | 3.3 | 113.8 | Y1185 | Y1185-R1187 HydrophobicContact CE1-CB 4.41Š|
| 1188 | F | 70.9 | Confident | 87.7 | Confident | 138 Ų | 138 | 63 Ų | 63 | 61% | 0.605 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -132.2 | 20.3 | -169.3 | -52.6 | -69.1 | 0 | 0 | 0 | 112.4 | ||
| 1189 | R | 73.3 | Confident | 87.5 | Confident | 174 Ų | 174 | 64.5 Ų | 64.5 | 66% | 0.657 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -154.1 | 166 | -176.3 | -63.4 | -171.1 | 174.2 | -131.6 | -10.1 | 109.5 | E1186 | E1186-R1189 HydrophobicContact CB-CB 4.02Š|
| 1190 | E | 73.4 | Confident | 87.2 | Confident | 145 Ų | 145 | 68.7 Ų | 68.7 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -58 | 141.4 | 167.4 | -65.1 | -169.7 | -152.7 | 0 | 0 | 111.7 | ||
| 1191 | N | 86.2 | Confident | 86.7 | Confident | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.214 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 133.1 | 178.5 | -60 | -82.6 | 0 | 0 | 0 | 110 | F1131 W1183 S1184 Y1185 E1186 | F1131-N1191 HydrophobicContact CE1-CB 4.27Å; F1131-N1191 HydrophobicContact CZ-CB 4.39Å; W1183-N1191 HydrophobicContact CB-CB 4.47Å; W1183-N1191 HydrophobicContact CE3-CB 4.07Å; W1183-N1191 VanDerWaalsContact CE3-O 3.28Å; W1183-N1191 WeakPolarHBondContact CZ3-O 3.23Å; S1184-N1191 CarbonylContact O-C 3.59Å; S1184-N1191 WeakPolarHBondContact O-CA 3.41Å; S1184-N1191 WeakPolarHBondContact O-CB 3.48Å; Y1185-N1191 WeakPolarHBondContact CA-OD1 3.22Å; Y1185-N1191 VanDerWaalsContact CD2-OD1 3.25Å; Y1185-N1191 WeakPolarHBondContact CD2-OD1 3.3Å; E1186-N1191 PolarHBondContact N-OD1 3.31Å |
| 1192 | I | 86.3 | Confident | 85.7 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.9 | -174.3 | -56.2 | 171.1 | 0 | 0 | 0 | 109.2 | L1121 W1183 S1184 E1186 | L1121-I1192 HydrophobicContact CD1-CD1 4.2Å; L1121-I1192 HydrophobicContact CD1-CG2 4.26Å; L1121-I1192 HydrophobicContact CD2-CD1 3.49Å; L1121-I1192 VanDerWaalsContact CD2-CD1 3.49Å; W1183-I1192 CarbonylContact C-O 3.56Å; W1183-I1192 VanDerWaalsContact CA-O 3.27Å; W1183-I1192 WeakPolarHBondContact CA-O 3.41Å; S1184-I1192 PolarHBondContact N-O 3.5Å; S1184-I1192 PolarHBondContact O-N 3.18Å; E1186-I1192 HydrophobicContact CG-CD1 4.21Å; E1186-I1192 HydrophobicContact CG-CG1 4.31Å |
| 1193 | F | 90.8 | Very high | 84.1 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 47% | 0.474 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 135.6 | 176 | 177 | -103.8 | 0 | 0 | 0 | 111.3 | T1181 W1183 G1195 R1196 | T1181-F1193 HydrophobicContact CG2-CE2 4.29Å; W1183-F1193 HydrophobicContact CD2-CD2 4.39Å; W1183-F1193 HydrophobicContact CE3-CB 4Å; W1183-F1193 HydrophobicContact CH2-CB 4.15Å; W1183-F1193 HydrophobicContact CH2-CD2 4.19Å; W1183-F1193 AromaticContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ2-CD2 3.94Å; W1183-F1193 HydrophobicContact CZ3-CB 3.8Å; F1193-G1195 WeakPolarHBondContact CE2-O 3.43Å; F1193-G1195 WeakPolarHBondContact CZ-O 3.48Å; F1193-R1196 HydrophobicContact CE2-CB 4Å; F1193-R1196 HydrophobicContact CZ-CB 3.73Å |
| 1194 | L | 90.2 | Very high | 82.1 | Confident | 21 Ų | 21 | 80.1 Ų | 80.1 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | -27.2 | -178.7 | -61.3 | 178.1 | 0 | 0 | 0 | 113.7 | L1118 P1128 P1130 V1182 | L1118-L1194 HydrophobicContact CD1-CD1 4.31Å; P1128-L1194 HydrophobicContact CB-CD1 3.9Å; P1128-L1194 HydrophobicContact CB-CD2 4.37Å; P1128-L1194 HydrophobicContact CG-CD1 4.17Å; P1130-L1194 HydrophobicContact CB-CD1 4.09Å; V1182-L1194 HydrophobicContact CB-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CB 4.23Å; V1182-L1194 HydrophobicContact CG1-CD1 4.24Å; V1182-L1194 PolarHBondContact O-N 3.33Å |
| 1195 | G | 90.5 | Very high | 80.2 | Confident | 23 Ų | 23 | 87.5 Ų | 87.5 | 24% | 0.237 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | 165.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1181 V1182 F1193 | T1181-G1195 CarbonylContact C-O 3.55Å; T1181-G1195 WeakPolarHBondContact CA-O 3.34Å; V1182-G1195 PolarHBondContact N-O 3.11Å; V1182-G1195 PolarHBondContact O-N 3.34Å; F1193-G1195 WeakPolarHBondContact CE2-O 3.43Å; F1193-G1195 WeakPolarHBondContact CZ-O 3.48Å |
| 1196 | R | 93.1 | Very high | 78.3 | Confident | 155 Ų | 155 | 86 Ų | 86 | 59% | 0.585 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145 | 135.2 | 179 | 179.7 | 178 | 76.4 | 107.6 | 9.5 | 111.3 | E1179 F1180 T1181 F1193 V1198 | E1179-R1196 HydrophobicContact CG-CG 4.31Å; E1179-R1196 WeakPolarHBondContact OE1-CD 3.36Å; E1179-R1196 IonicContact OE1-CZ 3.39Å; E1179-R1196 IonicContact OE1-NH1 2.93Å; E1179-R1196 PolarHBondContact OE1-NH1 2.76Å; F1180-R1196 CarbonylContact O-C 3.55Å; F1180-R1196 VanDerWaalsContact O-CA 3.26Å; F1180-R1196 WeakPolarHBondContact O-CA 3.44Å; F1180-R1196 WeakPolarHBondContact O-CG 3.38Å; T1181-R1196 HydrophobicContact CG2-CB 4.04Å; T1181-R1196 HydrophobicContact CG2-CG 3.73Å; F1193-R1196 HydrophobicContact CE2-CB 4Å; F1193-R1196 HydrophobicContact CZ-CB 3.73Å; R1196-V1198 HydrophobicContact CG-CG2 4.49Å |
| 1197 | A | 90.7 | Very high | 76.9 | Confident | 41 Ų | 41 | 87.8 Ų | 87.8 | 34% | 0.339 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 150.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1180 | F1180-A1197 HydrophobicContact CB-CB 4.46Å; F1180-A1197 PolarHBondContact N-O 3.18Å; F1180-A1197 PolarHBondContact O-N 2.77Å; F1180-A1197 VanDerWaalsContact O-O 3.12Å |
| 1198 | V | 91.8 | Very high | 75.6 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124.6 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | L1137 A1177 L1178 E1179 R1196 | L1137-V1198 HydrophobicContact CD1-CG1 4.4Å; A1177-V1198 HydrophobicContact CB-CG1 4.12Å; L1178-V1198 WeakPolarHBondContact O-CA 3.41Å; E1179-V1198 HydrophobicContact CB-CG2 4.22Å; E1179-V1198 HydrophobicContact CG-CG2 4.11Å; R1196-V1198 HydrophobicContact CG-CG2 4.49Å |
| 1199 | V | 89.4 | Confident | 74.3 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 19% | 0.194 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.2 | -176.7 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | A1177 L1178 F1180 V1210 | A1177-V1199 CarbonylContact C-O 3.52Å; A1177-V1199 WeakPolarHBondContact CA-O 3.37Å; A1177-V1199 WeakPolarHBondContact CB-O 3.41Å; L1178-V1199 PolarHBondContact N-O 3.45Å; L1178-V1199 PolarHBondContact O-N 2.97Å; F1180-V1199 HydrophobicContact CD2-CG2 4.24Å; F1180-V1199 HydrophobicContact CE2-CB 4.32Å; F1180-V1199 HydrophobicContact CE2-CG2 3.85Å; V1199-V1210 HydrophobicContact CG1-CG1 4.36Å; V1199-V1210 HydrophobicContact CG1-CG2 4.4Å; V1199-V1210 HydrophobicContact CG2-CG1 4.01Å |
| 1200 | Q | 88.8 | Confident | 73.2 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.5 | 176.5 | -172.2 | 69.8 | 30.7 | 0 | 0 | 110 | S1174 K1176 S1202 | S1174-Q1200 PolarHBondContact O-NE2 3.13Å; K1176-Q1200 PolarHBondContact O-NE2 2.76Å; K1176-Q1200 VanDerWaalsContact O-NE2 3.15Å; Q1200-S1202 VanDerWaalsContact C-N 3.32Å; Q1200-S1202 WeakPolarHBondContact CG-OG 3.36Å; Q1200-S1202 PolarHBondContact O-N 3.48Å |
| 1201 | L | 84.9 | Confident | 71.7 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | trans | -95.7 | 22.9 | -178.8 | -53.4 | 177.8 | 0 | 0 | 0 | 112.5 | V1099 L1108 L1136 L1173 K1176 L1178 G1203 | V1099-L1201 HydrophobicContact CG1-CD2 4.25Å; L1108-L1201 HydrophobicContact CD2-CD1 3.84Å; L1136-L1201 HydrophobicContact CD1-CD1 4.25Å; L1173-L1201 HydrophobicContact CD2-CD1 3.86Å; L1173-L1201 WeakPolarHBondContact O-CB 3.36Å; K1176-L1201 HydrophobicContact CB-CD1 4.34Å; K1176-L1201 WeakPolarHBondContact O-CB 3.29Å; K1176-L1201 PolarHBondContact O-N 3.24Å; L1178-L1201 HydrophobicContact CD1-CD2 4.06Å; L1178-L1201 HydrophobicContact CG-CD1 4.21Å; L1178-L1201 HydrophobicContact CG-CD2 4.2Å; L1178-L1201 HydrophobicContact CG-CG 4.5Å; L1201-G1203 PolarHBondContact O-N 3.38Å | ||
| 1202 | S | 72.4 | Confident | 71 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 53% | 0.531 | 41% | 0.414 | S | S | . | . | trans | -95.5 | 22.8 | -168.9 | 73.4 | 0 | 0 | 0 | 0 | 114.7 | S1174 Q1200 | S1174-S1202 WeakPolarHBondContact O-CB 3.45Å; Q1200-S1202 VanDerWaalsContact C-N 3.32Å; Q1200-S1202 WeakPolarHBondContact CG-OG 3.36Å; Q1200-S1202 PolarHBondContact O-N 3.48Å | ||
| 1203 | G | 60.5 | Low | 70.2 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 38% | 0.381 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -132.9 | 143.5 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1201 H1205 S1206 | L1201-G1203 PolarHBondContact O-N 3.38Å; G1203-H1205 PolarHBondContact O-N 3.17Å; G1203-H1205 VanDerWaalsContact O-N 3.14Å; G1203-S1206 VanDerWaalsContact O-CB 3.26Å; G1203-S1206 WeakPolarHBondContact O-CB 3.28Å; G1203-S1206 PolarHBondContact O-N 3.18Å; G1203-S1206 PolarHBondContact O-OG 3.15Å |
| 1204 | E | 52.5 | Low | 69.1 | Low | 180 Ų | 180 | 75.1 Ų | 75.1 | 84% | 0.841 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.2 | 176.8 | -59.1 | -178.4 | 147.4 | 0 | 0 | 111.9 | ||
| 1205 | H | 50.5 | Low | 67.8 | Low | 158 Ų | 158 | 78.2 Ų | 78.2 | 73% | 0.731 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.4 | 175.8 | -48.9 | -43.5 | 0 | 0 | 0 | 114.8 | G1203 F1207 S1208 | G1203-H1205 PolarHBondContact O-N 3.17Å; G1203-H1205 VanDerWaalsContact O-N 3.14Å; H1205-F1207 PolarHBondContact O-N 2.82Å; H1205-S1208 PolarHBondContact O-N 2.96Å; H1205-S1208 VanDerWaalsContact O-N 3.11Å; H1205-S1208 PolarHBondContact O-OG 3.36Å |
| 1206 | S | 50.3 | Low | 66.4 | Low | 22 Ų | 22 | 81.7 Ų | 81.7 | 15% | 0.154 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 5.5 | -173.9 | 63.6 | 0 | 0 | 0 | 0 | 115.9 | G1203 | G1203-S1206 VanDerWaalsContact O-CB 3.26Å; G1203-S1206 WeakPolarHBondContact O-CB 3.28Å; G1203-S1206 PolarHBondContact O-N 3.18Å; G1203-S1206 PolarHBondContact O-OG 3.15Å |
| 1207 | F | 51 | Low | 64.6 | Low | 95 Ų | 95 | 76.8 Ų | 76.8 | 42% | 0.417 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.9 | 171.1 | -50.8 | -56.9 | 0 | 0 | 0 | 113.4 | F1101 I1170 H1205 | F1101-F1207 HydrophobicContact CB-CD1 4.19Å; F1101-F1207 HydrophobicContact CB-CE1 3.51Å; F1101-F1207 HydrophobicContact CB-CZ 4.22Å; F1101-F1207 HydrophobicContact CG-CE1 4.49Å; I1170-F1207 HydrophobicContact CD1-CZ 4.02Å; H1205-F1207 PolarHBondContact O-N 2.82Å |
| 1208 | S | 50.6 | Low | 62.8 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -74.9 | 162.5 | 167.8 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | H1205 | H1205-S1208 PolarHBondContact O-N 2.96Å; H1205-S1208 VanDerWaalsContact O-N 3.11Å; H1205-S1208 PolarHBondContact O-OG 3.36Å |
| 1209 | E | 43.3 | Very low | 60.5 | Low | 98 Ų | 98 | 79.9 Ų | 79.9 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 139.6 | 169.7 | -179.5 | 152.2 | -146.3 | 0 | 0 | 111.2 | Q1096 R1098 | Q1096-E1209 PolarHBondContact NE2-OE1 3.39Å; R1098-E1209 VanDerWaalsContact CD-OE1 3.27Å; R1098-E1209 WeakPolarHBondContact CD-OE1 3.4Å; R1098-E1209 HydrophobicContact CG-CB 3.88Å; R1098-E1209 VanDerWaalsContact CG-CD 3.47Å; R1098-E1209 HydrophobicContact CG-CG 3.55Å; R1098-E1209 VanDerWaalsContact CG-OE1 3.28Å; R1098-E1209 WeakPolarHBondContact CG-OE1 3.48Å; R1098-E1209 IonicContact NE-OE1 3.41Å; R1098-E1209 PolarHBondContact NE-OE1 3.36Å |
| 1210 | V | 50.3 | Low | 58.1 | Low | 43 Ų | 43 | 83.9 Ų | 83.9 | 26% | 0.261 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 110.2 | -177.8 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | A1097 V1199 | A1097-V1210 PolarHBondContact N-O 3.5Å; A1097-V1210 CarbonylContact O-C 3.47Å; A1097-V1210 WeakPolarHBondContact O-CA 3.4Å; A1097-V1210 PolarHBondContact O-N 3.47Å; V1199-V1210 HydrophobicContact CG1-CG1 4.36Å; V1199-V1210 HydrophobicContact CG1-CG2 4.4Å; V1199-V1210 HydrophobicContact CG2-CG1 4.01Å |
| 1211 | S | 42.4 | Very low | 55.3 | Low | 116 Ų | 116 | 82.5 Ų | 82.5 | 81% | 0.811 | 47% | 0.467 | S | S | * | . | trans | -90.9 | 0 | -172.1 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | L1095 | L1095-S1211 VanDerWaalsContact C-OXT 3.28Å; L1095-S1211 PolarHBondContact N-OXT 3.27Å |
Retrieved 1,211 of 1,211 residues in 341.8 ms
(Link to these results)